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GLIHZOQWPAVIPL-AATRIKPKSA-N 0 1 334.847 2.379 10 30 EEEEMN C=C(Br)CNC[C@H](NC(=O)/C=C/c1ccc[nH]1)C1CC1 ZINC001699582353 1405405663 /nfs/dbraw/zinc/40/56/63/1405405663.db2.gz DYOMNUVVGDOFRX-UZYOAWRESA-N 0 1 338.249 2.421 10 30 EEEEMN Cc1noc(C)c1CN1CCC[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001699869644 1405534192 /nfs/dbraw/zinc/53/41/92/1405534192.db2.gz GVSSHPFEHBXGRW-IBGZPJMESA-N 0 1 329.444 2.423 10 30 EEEEMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(CC(=O)N[C@@H](C)CCC)C[C@H]2C1 ZINC001699989713 1405640066 /nfs/dbraw/zinc/64/00/66/1405640066.db2.gz LROQCEODWAMXIH-LJCCNALRSA-N 0 1 349.519 2.284 10 30 EEEEMN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](NCc3nc(C)cs3)C2)c1 ZINC000939108253 775498241 /nfs/dbraw/zinc/49/82/41/775498241.db2.gz NTEOHUDFAYEDGC-WBMJQRKESA-N 0 1 340.452 2.078 10 30 EEEEMN C=C(Cl)C(C)(C)C(=O)N1CCCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000940503771 778760019 /nfs/dbraw/zinc/76/00/19/778760019.db2.gz VUEWNEPTXYLFMQ-UHFFFAOYSA-N 0 1 338.839 2.171 10 30 EEEEMN CC#CCN1CC[C@H](NC(=O)c2nccc3cccnc32)C(C)(C)C1 ZINC000940807026 779316251 /nfs/dbraw/zinc/31/62/51/779316251.db2.gz GHRLEORWARQPPP-INIZCTEOSA-N 0 1 336.439 2.483 10 30 EEEEMN CC#CCN1CC[C@H](NC(=O)c2cccc3ncn(C)c32)C(C)(C)C1 ZINC000940850135 779414848 /nfs/dbraw/zinc/41/48/48/779414848.db2.gz BSNMREQIHOCBAH-KRWDZBQOSA-N 0 1 338.455 2.427 10 30 EEEEMN C#CCN1CC[C@H](NC(=O)c2conc2C(F)(F)F)C(C)(C)C1 ZINC000940893357 779472572 /nfs/dbraw/zinc/47/25/72/779472572.db2.gz ORYLBPQTAXIKJI-NSHDSACASA-N 0 1 329.322 2.157 10 30 EEEEMN C#CCN1CC[C@H](NC(=O)c2coc(=O)c3ccccc23)C(C)(C)C1 ZINC000940935876 779530913 /nfs/dbraw/zinc/53/09/13/779530913.db2.gz JUJJMZOLZJCPDG-KRWDZBQOSA-N 0 1 338.407 2.257 10 30 EEEEMN C#CCN1CC[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C(C)(C)C1 ZINC000940925545 779555385 /nfs/dbraw/zinc/55/53/85/779555385.db2.gz IPNINVXJKGUTQK-SFHVURJKSA-N 0 1 341.455 2.133 10 30 EEEEMN C=C1CC(C)(C(=O)N[C@H]2CCN([C@@H]3CCN(CC)C3=O)CC2(C)C)C1 ZINC000941018272 779713401 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C#CCN1CCC(C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)CC1 ZINC000906235431 783787994 /nfs/dbraw/zinc/78/79/94/783787994.db2.gz FPCWBXVJCFXSLL-GFCCVEGCSA-N 0 1 334.366 2.424 10 30 EEEEMN C=C(C)C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908911519 785853051 /nfs/dbraw/zinc/85/30/51/785853051.db2.gz BNQBEUSLSAQETO-YOEHRIQHSA-N 0 1 345.443 2.152 10 30 EEEEMN C#CCN1CCC(NC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000922915022 788332182 /nfs/dbraw/zinc/33/21/82/788332182.db2.gz MNOJVBXNVWRBOM-JKSUJKDBSA-N 0 1 335.492 2.365 10 30 EEEEMN COc1ccc(-c2cncc(C(=O)NCC#CCN(C)C)c2)c(C)c1 ZINC000913524155 788956597 /nfs/dbraw/zinc/95/65/97/788956597.db2.gz BWQJDPXWJWSGNM-UHFFFAOYSA-N 0 1 337.423 2.360 10 30 EEEEMN N#CC1(CNC(=O)N[C@@H]2CCCN3CCSC[C@H]23)CCCCC1 ZINC000923311620 789370323 /nfs/dbraw/zinc/37/03/23/789370323.db2.gz QNHNHDHTKYVCNJ-HUUCEWRRSA-N 0 1 336.505 2.339 10 30 EEEEMN C#CCN1CCC(NC(=O)NCCC2Cc3ccccc3C2)CC1 ZINC000921643136 790259526 /nfs/dbraw/zinc/25/95/26/790259526.db2.gz JSNNNQKDBWNWKY-UHFFFAOYSA-N 0 1 325.456 2.188 10 30 EEEEMN C[C@H](C#N)CN(C)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000913922815 794579181 /nfs/dbraw/zinc/57/91/81/794579181.db2.gz YGZDQJLUSIMRTB-MRVPVSSYSA-N 0 1 338.307 2.071 10 30 EEEEMN C#CCN1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccc(F)cc2)CC1 ZINC000921758846 795784102 /nfs/dbraw/zinc/78/41/02/795784102.db2.gz OZLUYEDHRVKSRE-KDOFPFPSSA-N 0 1 347.434 2.299 10 30 EEEEMN C#CCN1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccccc2F)CC1 ZINC000921821940 796559113 /nfs/dbraw/zinc/55/91/13/796559113.db2.gz ZPZDJSVEPBSBLX-KSSFIOAISA-N 0 1 347.434 2.299 10 30 EEEEMN N#Cc1ccc2nc(NC(=O)c3ccc(-c4cn[nH]c4)cn3)[nH]c2c1 ZINC001169190525 803644875 /nfs/dbraw/zinc/64/48/75/803644875.db2.gz ZRPWZWAEOJXNRP-UHFFFAOYSA-N 0 1 329.323 2.472 10 30 EEEEMN C=CC[C@@]1(C(=O)N2CC(N(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790830551 808945856 /nfs/dbraw/zinc/94/58/56/808945856.db2.gz RDPHBNDTJSOGRK-SFHVURJKSA-N 0 1 337.464 2.105 10 30 EEEEMN C[C@H](OCC(=O)C(C#N)c1cnc2ccccc2n1)c1nccn1C 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2.496 10 30 EEEEMN C=CCC1(C(=O)N[C@H]2CCN(C(=O)c3cc(CC)[nH]n3)[C@H]2C)CCC1 ZINC001511145309 1117965671 /nfs/dbraw/zinc/96/56/71/1117965671.db2.gz YMFJKNBYLGQGDK-ZFWWWQNUSA-N 0 1 344.459 2.438 10 30 EEEEMN C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2cnccc2N(C)C)[C@@H]1C ZINC001511177023 1117984013 /nfs/dbraw/zinc/98/40/13/1117984013.db2.gz SPRKQPHGRBLFEU-HOCLYGCPSA-N 0 1 344.459 2.223 10 30 EEEEMN CC(C)C#CC(=O)N(CCN(C)C(=O)C(C)(C)c1c[nH]cn1)C(C)C ZINC001511706394 1118202575 /nfs/dbraw/zinc/20/25/75/1118202575.db2.gz PNRNTYFQJFQKCV-UHFFFAOYSA-N 0 1 346.475 2.042 10 30 EEEEMN C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001512184089 1118443345 /nfs/dbraw/zinc/44/33/45/1118443345.db2.gz GMICICQQXIAAPL-OLZOCXBDSA-N 0 1 336.411 2.120 10 30 EEEEMN C=C1CCC(C(=O)N(C)CCCCCCNC(=O)c2cnn[nH]2)CC1 ZINC001519639009 1119095117 /nfs/dbraw/zinc/09/51/17/1119095117.db2.gz NYDWZMBQDBVPIL-UHFFFAOYSA-N 0 1 347.463 2.300 10 30 EEEEMN C#CCCCCCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC001520842287 1119197686 /nfs/dbraw/zinc/19/76/86/1119197686.db2.gz FUJLLVDGPDNMNQ-SQNIBIBYSA-N 0 1 347.503 2.160 10 30 EEEEMN C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001523120407 1119654028 /nfs/dbraw/zinc/65/40/28/1119654028.db2.gz ZKLLPOWPXGYLLD-HNNXBMFYSA-N 0 1 332.448 2.004 10 30 EEEEMN CC#CCCCC(=O)N1CCC(NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001523239719 1119717153 /nfs/dbraw/zinc/71/71/53/1119717153.db2.gz XWBDWKHDVBXYTQ-SFHVURJKSA-N 0 1 347.503 2.162 10 30 EEEEMN C=CCCC(=O)NC[C@H](NC(=O)c1[nH]nc2c1CCCCC2)C1CC1 ZINC001524352552 1120073441 /nfs/dbraw/zinc/07/34/41/1120073441.db2.gz MUVMSGMWHNWNRG-INIZCTEOSA-N 0 1 344.459 2.269 10 30 EEEEMN C=CCCC(=O)N(C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001524574198 1120186617 /nfs/dbraw/zinc/18/66/17/1120186617.db2.gz OWACWMZKDUKVKC-HNNXBMFYSA-N 0 1 346.475 2.351 10 30 EEEEMN C=CC(C)(C)C(=O)N(C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001524575544 1120188183 /nfs/dbraw/zinc/18/81/83/1120188183.db2.gz TWLRHWQDDCUOMR-SJORKVTESA-N 0 1 349.519 2.380 10 30 EEEEMN C=CCCC1(C(=O)N[C@@H](C)CNC(=O)CN2CCC(C)CC2)CC1 ZINC001526916628 1120619196 /nfs/dbraw/zinc/61/91/96/1120619196.db2.gz VGMAVWOSVBIXCK-INIZCTEOSA-N 0 1 335.492 2.086 10 30 EEEEMN C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001527406660 1120788359 /nfs/dbraw/zinc/78/83/59/1120788359.db2.gz SCQZYYSMTMZSQE-GOEBONIOSA-N 0 1 332.448 2.004 10 30 EEEEMN C=C1CCC(C(=O)NCC[C@@H](C)NC(=O)CN2CCC(C)CC2)CC1 ZINC001527761217 1120864297 /nfs/dbraw/zinc/86/42/97/1120864297.db2.gz PTUBKVBXILKSDB-QGZVFWFLSA-N 0 1 349.519 2.476 10 30 EEEEMN CC(C)C#CC(=O)N1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1C ZINC001527848963 1120898678 /nfs/dbraw/zinc/89/86/78/1120898678.db2.gz FRCSGXXTNRBAOK-MSOLQXFVSA-N 0 1 347.503 2.018 10 30 EEEEMN C=C1CC(C)(C(=O)N[C@H](C)C2CCN(C(=O)c3cnc(C)[nH]3)CC2)C1 ZINC001529890404 1121653200 /nfs/dbraw/zinc/65/32/00/1121653200.db2.gz XAVWAUDWKXBZQM-CYBMUJFWSA-N 0 1 344.459 2.431 10 30 EEEEMN C=CCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001530032387 1121762410 /nfs/dbraw/zinc/76/24/10/1121762410.db2.gz SDKGMHBNJMGPKV-MRXNPFEDSA-N 0 1 332.448 2.148 10 30 EEEEMN C=C[C@@H](CC)CC(=O)NCC1CN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001530863931 1122140900 /nfs/dbraw/zinc/14/09/00/1122140900.db2.gz DAUQVOKHHFCLFH-ZDUSSCGKSA-N 0 1 332.448 2.324 10 30 EEEEMN C=CCCC(=O)N[C@@H](CC)CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001531323477 1122367149 /nfs/dbraw/zinc/36/71/49/1122367149.db2.gz ZEAGLYXMBJINLO-JTQLQIEISA-N 0 1 346.353 2.328 10 30 EEEEMN C=CC(C)(C)C(=O)NC[C@H](CC)NC(=O)c1ccn2cncc2c1 ZINC001531359802 1122383456 /nfs/dbraw/zinc/38/34/56/1122383456.db2.gz PQVYZCRULRTWTK-AWEZNQCLSA-N 0 1 328.416 2.171 10 30 EEEEMN C=C1CCC(C(=O)NC[C@H](CC)NC(=O)Cc2cc(C)n[nH]2)CC1 ZINC001531460148 1122411648 /nfs/dbraw/zinc/41/16/48/1122411648.db2.gz AJWMCPKESQMAFQ-HNNXBMFYSA-N 0 1 332.448 2.018 10 30 EEEEMN C=C1CC(C)(C(=O)NC[C@](C)(NC(=O)CN2CC[C@@H](C)C2)C2CC2)C1 ZINC001531776723 1122548170 /nfs/dbraw/zinc/54/81/70/1122548170.db2.gz MWNKDVHOUVRXAT-VLIAUNLRSA-N 0 1 347.503 2.086 10 30 EEEEMN C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNC(=O)c1cncc2nc[nH]c21 ZINC001532260499 1122700290 /nfs/dbraw/zinc/70/02/90/1122700290.db2.gz GTTMXAUGBKBXSL-OLZOCXBDSA-N 0 1 343.431 2.042 10 30 EEEEMN CC#CCCCC(=O)N(C)CCN(C)C(=O)c1occc1CN(C)C ZINC001533036746 1123040637 /nfs/dbraw/zinc/04/06/37/1123040637.db2.gz FIIMAQWGUPAXLY-UHFFFAOYSA-N 0 1 347.459 2.065 10 30 EEEEMN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001533087661 1123070201 /nfs/dbraw/zinc/07/02/01/1123070201.db2.gz VAKXIVXYPOSXQT-HZPDHXFCSA-N 0 1 335.492 2.086 10 30 EEEEMN C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001533129583 1123101451 /nfs/dbraw/zinc/10/14/51/1123101451.db2.gz FJPQKXAEQOUKHQ-DZGCQCFKSA-N 0 1 344.459 2.269 10 30 EEEEMN C=CCCCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC001534504862 1123351107 /nfs/dbraw/zinc/35/11/07/1123351107.db2.gz IGCOMVDTHCDYCN-HOCLYGCPSA-N 0 1 332.448 2.100 10 30 EEEEMN C=CC(C)(C)C(=O)N[C@H](CNC(=O)CN1CCCC1)C1CCCC1 ZINC001536700504 1123779961 /nfs/dbraw/zinc/77/99/61/1123779961.db2.gz LOGWUJGDGFRCLH-MRXNPFEDSA-N 0 1 335.492 2.086 10 30 EEEEMN C=CCCC1(C(=O)N2CC[C@@](C)(NC(=O)CN(C)C3CCC3)C2)CC1 ZINC001536839984 1123832052 /nfs/dbraw/zinc/83/20/52/1123832052.db2.gz IMNXSXUTTLVKRD-LJQANCHMSA-N 0 1 347.503 2.324 10 30 EEEEMN N#Cc1ccc2nc(NC(=O)[C@]3(C4CCCC4)CCNC3=O)[nH]c2c1 ZINC001543407433 1124129311 /nfs/dbraw/zinc/12/93/11/1124129311.db2.gz FJVUJZQWXAPXPO-SFHVURJKSA-N 0 1 337.383 2.070 10 30 EEEEMN C=CCOCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1ccn2C ZINC001567862263 1124144941 /nfs/dbraw/zinc/14/49/41/1124144941.db2.gz KHTFDEZTYKPAGZ-HOTGVXAUSA-N 0 1 339.439 2.280 10 30 EEEEMN C#CCCCC(=O)N(C)[C@@H]1CCN(C[C@@H]2COc3ccccc3O2)C1 ZINC001567911473 1124172686 /nfs/dbraw/zinc/17/26/86/1124172686.db2.gz OPWGURORXIVFRN-IAGOWNOFSA-N 0 1 342.439 2.163 10 30 EEEEMN C=CCOCCN1CC[C@@H](N(C)C(=O)c2n[nH]c3c2CCCCC3)C1 ZINC001567927223 1124185140 /nfs/dbraw/zinc/18/51/40/1124185140.db2.gz HSJXAIBDOYZDCA-OAHLLOKOSA-N 0 1 346.475 2.028 10 30 EEEEMN C[C@@H](NC[C@H](C)CNC(=O)C#CC(C)(C)C)c1nc(C2CC2)no1 ZINC001568171502 1124338131 /nfs/dbraw/zinc/33/81/31/1124338131.db2.gz BLEHDVHDPQQTMP-QWHCGFSZSA-N 0 1 332.448 2.399 10 30 EEEEMN C=C(C)CCN1CCO[C@H](CNC(=O)[C@H](Cc2ccccc2)OC)C1 ZINC001568228295 1124374574 /nfs/dbraw/zinc/37/45/74/1124374574.db2.gz SAKAIIQZYCXOCF-MOPGFXCFSA-N 0 1 346.471 2.027 10 30 EEEEMN Cc1ccccc1NC(=O)CNC[C@@H](C)N(C)C(=O)C#CC(C)C ZINC001568271424 1124397067 /nfs/dbraw/zinc/39/70/67/1124397067.db2.gz LYAPBUAHCCEKKG-MRXNPFEDSA-N 0 1 329.444 2.029 10 30 EEEEMN C#Cc1ccc(C(=O)N(C)[C@@H](C)CNCc2cnc(Cl)s2)nc1 ZINC001568311817 1124415407 /nfs/dbraw/zinc/41/54/07/1124415407.db2.gz BSUBKVYEHWDNRQ-NSHDSACASA-N 0 1 348.859 2.423 10 30 EEEEMN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cnnn2C)CCCCC1 ZINC001568320271 1124418937 /nfs/dbraw/zinc/41/89/37/1124418937.db2.gz DPCCQRBQDYUBDF-HNNXBMFYSA-N 0 1 333.480 2.278 10 30 EEEEMN CC#CCCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1nccn1C ZINC001568428035 1124496701 /nfs/dbraw/zinc/49/67/01/1124496701.db2.gz CNRIRTKJNQMNPF-DLBZAZTESA-N 0 1 330.476 2.330 10 30 EEEEMN C=CCC(C)(C)C(=O)NC[C@@H](O)CNCc1cccc(F)c1F ZINC001568581420 1124618279 /nfs/dbraw/zinc/61/82/79/1124618279.db2.gz RQUJGWAHSKTTOY-ZDUSSCGKSA-N 0 1 326.387 2.134 10 30 EEEEMN C=CCC1(C(=O)NC[C@@H](O)CNCc2cnoc2C)CCCCC1 ZINC001568593300 1124622052 /nfs/dbraw/zinc/62/20/52/1124622052.db2.gz RIHTXGXEHKTVJB-INIZCTEOSA-N 0 1 335.448 2.076 10 30 EEEEMN C=CCC1(C(=O)NC[C@H](O)CN[C@@H](C)c2cnc(C)cn2)CCCC1 ZINC001568595988 1124623141 /nfs/dbraw/zinc/62/31/41/1124623141.db2.gz OKYAZRNIAGEGGT-JKSUJKDBSA-N 0 1 346.475 2.049 10 30 EEEEMN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNCc1noc2c1COCC2 ZINC001568674101 1124687256 /nfs/dbraw/zinc/68/72/56/1124687256.db2.gz FXLHMCPBCNYKMV-ACJLOTCBSA-N 0 1 335.448 2.334 10 30 EEEEMN CC[C@@H](OC)C(=O)NC/C=C/CNCC#Cc1ccc(Cl)cc1 ZINC001568824902 1124843091 /nfs/dbraw/zinc/84/30/91/1124843091.db2.gz ARBDGAYDCWLXGA-LAQIPUCWSA-N 0 1 334.847 2.379 10 30 EEEEMN Cc1cc(C)cc(NC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H](C)C#N)c1 ZINC001568827358 1124845236 /nfs/dbraw/zinc/84/52/36/1124845236.db2.gz MSHDADZNQUQBDS-DKLOGILVSA-N 0 1 342.443 2.052 10 30 EEEEMN Cc1c[nH]c(C(=O)NCC=CCNCC#Cc2ccc(Cl)cc2)n1 ZINC001568932128 1124963546 /nfs/dbraw/zinc/96/35/46/1124963546.db2.gz OCPCJQVOAZEHLZ-IHWYPQMZSA-N 0 1 342.830 2.299 10 30 EEEEMN COc1ncccc1CNC[C@@H](C)NC(=O)CC#Cc1ccccc1 ZINC001569038183 1125058606 /nfs/dbraw/zinc/05/86/06/1125058606.db2.gz GEROBMVTAJNYIF-MRXNPFEDSA-N 0 1 337.423 2.126 10 30 EEEEMN C#Cc1ccccc1CC(=O)N[C@@H](C)CNCc1ccccc1C#N ZINC001569094337 1125093691 /nfs/dbraw/zinc/09/36/91/1125093691.db2.gz IKWSMTFKNJSHLZ-INIZCTEOSA-N 0 1 331.419 2.377 10 30 EEEEMN C#CCOCCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)s1 ZINC001569115947 1125107779 /nfs/dbraw/zinc/10/77/79/1125107779.db2.gz QWQUJVBOYWLZCG-LBPRGKRZSA-N 0 1 328.865 2.378 10 30 EEEEMN COCC#CCN(C)C[C@@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001569131261 1125116673 /nfs/dbraw/zinc/11/66/73/1125116673.db2.gz LXXZERCHJZUKJI-OAHLLOKOSA-N 0 1 327.428 2.176 10 30 EEEEMN 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ZINC001569131260 1125117481 /nfs/dbraw/zinc/11/74/81/1125117481.db2.gz LXXZERCHJZUKJI-HNNXBMFYSA-N 0 1 327.428 2.176 10 30 EEEEMN COCC#CCN(C)C[C@H](C)NC(=O)Cc1coc2ccccc12 ZINC001569144049 1125125437 /nfs/dbraw/zinc/12/54/37/1125125437.db2.gz QHWWRTGGTQUGRI-HNNXBMFYSA-N 0 1 328.412 2.062 10 30 EEEEMN Cc1ncc(S(=O)(=O)Nc2ccc(OCC(C)C)nc2)cc1C#N ZINC000427197710 241390691 /nfs/dbraw/zinc/39/06/91/241390691.db2.gz RDLZAXYBBGETDY-UHFFFAOYSA-N 0 1 346.412 2.492 10 30 EEEEMN O[C@@H]([C@H]1CCN(CCOCC(F)(F)C(F)F)C1)C(F)(F)F ZINC000451898045 243300368 /nfs/dbraw/zinc/30/03/68/243300368.db2.gz WVGJIUJMLUHRIB-YUMQZZPRSA-N 0 1 327.240 2.149 10 30 EEEEMN N#Cc1cc(F)ccc1NC1CCN(CC(=O)N2CCCC2)CC1 ZINC000095403113 218337898 /nfs/dbraw/zinc/33/78/98/218337898.db2.gz RUHACGSDLLPVAC-UHFFFAOYSA-N 0 1 330.407 2.196 10 30 EEEEMN N#Cc1ccc2ncc(CN3CCC(OC[C@@H]4CCCO4)CC3)n2c1 ZINC000092661706 159225170 /nfs/dbraw/zinc/22/51/70/159225170.db2.gz GJDJQBXSYQRRBJ-SFHVURJKSA-N 0 1 340.427 2.366 10 30 EEEEMN N#Cc1ccc2ncc(CN[C@H](c3nnc[nH]3)c3ccccc3)n2c1 ZINC000375307384 167108773 /nfs/dbraw/zinc/10/87/73/167108773.db2.gz FKGYPLRIIMMYMC-KRWDZBQOSA-N 0 1 329.367 2.203 10 30 EEEEMN C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CCN1CCO ZINC000566149060 319252290 /nfs/dbraw/zinc/25/22/90/319252290.db2.gz HCTKWTMZSVOBOI-LBPRGKRZSA-N 0 1 330.819 2.263 10 30 EEEEMN CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccn3cncc3c2)cn1 ZINC000328625209 465077506 /nfs/dbraw/zinc/07/75/06/465077506.db2.gz KLOMHOHBJWKZPD-JKSUJKDBSA-N 0 1 325.372 2.386 10 30 EEEEMN C[C@@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)n1cnc(C#N)n1 ZINC000336999879 465141323 /nfs/dbraw/zinc/14/13/23/465141323.db2.gz RLHDCJVPJIVENC-ZETCQYMHSA-N 0 1 331.286 2.163 10 30 EEEEMN CC(C)c1cnc(CN(C)[C@@H]2CCN(CCn3cc(C#N)cn3)C2)o1 ZINC000076047851 462794162 /nfs/dbraw/zinc/79/41/62/462794162.db2.gz CTTHPKLLWVMYNR-MRXNPFEDSA-N 0 1 342.447 2.072 10 30 EEEEMN COC(=O)[C@]1(NCCCCC#N)CCCN(Cc2ccccc2)C1 ZINC000121085828 463077516 /nfs/dbraw/zinc/07/75/16/463077516.db2.gz IFRXOMSVJFTJLQ-IBGZPJMESA-N 0 1 329.444 2.478 10 30 EEEEMN C=C[C@](C)(CC)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000134951190 463101474 /nfs/dbraw/zinc/10/14/74/463101474.db2.gz NEKNIHFAMKOARM-LJQANCHMSA-N 0 1 330.476 2.442 10 30 EEEEMN COc1ccccc1-c1n[nH]c(NC(=O)CNC(=O)C2CCCC2)n1 ZINC000052779095 463105250 /nfs/dbraw/zinc/10/52/50/463105250.db2.gz PYSLDNIWZSKLOF-UHFFFAOYSA-N 0 1 343.387 2.375 10 30 EEEEMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277807880 463932763 /nfs/dbraw/zinc/93/27/63/463932763.db2.gz PUVABYCWQVGZDP-BFHYXJOUSA-N 0 1 334.382 2.211 10 30 EEEEMN CC(C)(C)[C@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000284132020 464092276 /nfs/dbraw/zinc/09/22/76/464092276.db2.gz UWEOYUVHKXSFKM-OAHLLOKOSA-N 0 1 344.415 2.335 10 30 EEEEMN C#CCOc1ccccc1NC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000188053568 464189376 /nfs/dbraw/zinc/18/93/76/464189376.db2.gz QOVCBNSMPPOTNJ-INIZCTEOSA-N 0 1 345.443 2.273 10 30 EEEEMN COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@H](C)C#N)CCN2C2CC2)c1 ZINC000182753104 464721796 /nfs/dbraw/zinc/72/17/96/464721796.db2.gz QGKIFFFBYZRRDJ-JEBQAFNWSA-N 0 1 342.443 2.432 10 30 EEEEMN CC[C@H](O)CN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177194652 464956271 /nfs/dbraw/zinc/95/62/71/464956271.db2.gz JMKJOJAJNMINLW-KRWDZBQOSA-N 0 1 340.389 2.445 10 30 EEEEMN [O-]C(=[NH+][C@@H]1CCc2ccccc2C1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329408229 465323425 /nfs/dbraw/zinc/32/34/25/465323425.db2.gz ZVZDQHBHQMTGHS-FCGDIQPGSA-N 0 1 344.455 2.320 10 30 EEEEMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCO[C@@H](C2CC2)C1 ZINC000330119717 465539840 /nfs/dbraw/zinc/53/98/40/465539840.db2.gz GABKFLSANHWGJW-GOSISDBHSA-N 0 1 344.459 2.071 10 30 EEEEMN C=CCn1c(CC2CC2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 ZINC000337893047 465659207 /nfs/dbraw/zinc/65/92/07/465659207.db2.gz BIAYCEOGVCPZBU-KRWDZBQOSA-N 0 1 347.507 2.354 10 30 EEEEMN Cc1cc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)nn1CCC#N ZINC000348825895 465821124 /nfs/dbraw/zinc/82/11/24/465821124.db2.gz IXPIDFWITFGUCT-UHFFFAOYSA-N 0 1 338.346 2.887 10 30 EEEEMN CC(C)[C@H](O)[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000597223785 468485511 /nfs/dbraw/zinc/48/55/11/468485511.db2.gz ZJUWESJGPCZBIJ-ROUUACIJSA-N 0 1 335.411 2.449 10 30 EEEEMN C#CCOc1ccccc1CN1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000373587619 466857173 /nfs/dbraw/zinc/85/71/73/466857173.db2.gz YACGQYFQLINDIE-SJORKVTESA-N 0 1 331.412 2.241 10 30 EEEEMN N#Cc1ccc([C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)C(N)=O)cc1 ZINC000419347415 467191785 /nfs/dbraw/zinc/19/17/85/467191785.db2.gz WROJXAFBTASFAT-WMZOPIPTSA-N 0 1 338.386 2.092 10 30 EEEEMN N#CC1(CS(=O)(=O)NC[C@@H]2CCCCN2C2CC2)CCCC1 ZINC000434775589 467428158 /nfs/dbraw/zinc/42/81/58/467428158.db2.gz KMBBVMHTMYTCTG-HNNXBMFYSA-N 0 1 325.478 2.007 10 30 EEEEMN C[C@@H]1C[C@H](CN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CCO1 ZINC000408146195 467516988 /nfs/dbraw/zinc/51/69/88/467516988.db2.gz YIZWBIDUDKVFSF-CUYVQJCZSA-N 0 1 325.412 2.147 10 30 EEEEMN COc1ccc(CN2CC[C@H]2CNCc2nc(C#N)cs2)cc1 ZINC000527770708 467665088 /nfs/dbraw/zinc/66/50/88/467665088.db2.gz HFGVOGOBHPCYIC-HNNXBMFYSA-N 0 1 328.441 2.387 10 30 EEEEMN N#CCc1ccc(CS(=O)(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000528554469 467701886 /nfs/dbraw/zinc/70/18/86/467701886.db2.gz UYOGLAVPWVWELS-SFHVURJKSA-N 0 1 347.484 2.189 10 30 EEEEMN N#CC1(c2ccc(CN[C@@H](C[NH+]3CCCCC3)C(=O)[O-])cc2)CC1 ZINC000594691873 468654840 /nfs/dbraw/zinc/65/48/40/468654840.db2.gz YRXVOBUAVVCSNQ-KRWDZBQOSA-N 0 1 327.428 2.270 10 30 EEEEMN CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1)[C@@H](C)C#N ZINC000598360473 468841222 /nfs/dbraw/zinc/84/12/22/468841222.db2.gz VTRQWYNREQGPST-NSHDSACASA-N 0 1 328.372 2.468 10 30 EEEEMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000595472561 468866063 /nfs/dbraw/zinc/86/60/63/468866063.db2.gz NCPDKFJNUFHPQH-INIZCTEOSA-N 0 1 344.415 2.153 10 30 EEEEMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H]2COC[C@]2(C)C1 ZINC000595761040 468994141 /nfs/dbraw/zinc/99/41/41/468994141.db2.gz WDYWTVMFBUPUTQ-GJYPPUQNSA-N 0 1 327.428 2.290 10 30 EEEEMN N#Cc1cc(Br)ccc1CC(=O)NCCN1CC=CCC1 ZINC000593672156 469089324 /nfs/dbraw/zinc/08/93/24/469089324.db2.gz XPORZOJBGDMPBG-UHFFFAOYSA-N 0 1 348.244 2.241 10 30 EEEEMN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1cccc(C#N)c1 ZINC000611386778 469239164 /nfs/dbraw/zinc/23/91/64/469239164.db2.gz UXVSMORPRWUACT-JCGIZDLHSA-N 0 1 327.428 2.379 10 30 EEEEMN C=CC(C)(C)CCNC(=O)N1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000624461825 469944863 /nfs/dbraw/zinc/94/48/63/469944863.db2.gz PKBZXEWUZMJWHY-CQSZACIVSA-N 0 1 347.463 2.176 10 30 EEEEMN CN1CCC(C#N)(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000609594487 469945329 /nfs/dbraw/zinc/94/53/29/469945329.db2.gz PMZBXXMKMPTWLK-UHFFFAOYSA-N 0 1 342.374 2.127 10 30 EEEEMN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)N2CCc3ccccc3C2)C1=O ZINC000630970066 470040475 /nfs/dbraw/zinc/04/04/75/470040475.db2.gz KKRVINYFLIZSKI-PBHICJAKSA-N 0 1 327.428 2.320 10 30 EEEEMN C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@H]1C ZINC000669032208 471357059 /nfs/dbraw/zinc/35/70/59/471357059.db2.gz DGXORVBQOCZIGH-JJXSEGSLSA-N 0 1 331.464 2.235 10 30 EEEEMN C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC000669033382 471357138 /nfs/dbraw/zinc/35/71/38/471357138.db2.gz OAROGQYTGLGXLU-CVEARBPZSA-N 0 1 343.475 2.380 10 30 EEEEMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000434359689 485714383 /nfs/dbraw/zinc/71/43/83/485714383.db2.gz MIMBSMZPVXQJCZ-OLZOCXBDSA-N 0 1 346.456 2.080 10 30 EEEEMN C#Cc1ccc(C(=O)Nc2ccccc2N2CCN(CC)CC2)cn1 ZINC000728804803 576530898 /nfs/dbraw/zinc/53/08/98/576530898.db2.gz AIWATIXVRWZPRQ-UHFFFAOYSA-N 0 1 334.423 2.457 10 30 EEEEMN O=C(NCCNCc1ccccc1OCC1CC1)C1N=CC=CC1=O ZINC000733333286 577223590 /nfs/dbraw/zinc/22/35/90/577223590.db2.gz LGPMISCLLLEHDJ-VHEBQXMUSA-N 0 1 341.411 2.091 10 30 EEEEMN C#C[C@H](NCc1cc(Br)c(O)c(OC)c1)[C@H]1CCCO1 ZINC000775339165 577435304 /nfs/dbraw/zinc/43/53/04/577435304.db2.gz AICPVPISUVJLHF-QWHCGFSZSA-N 0 1 340.217 2.434 10 30 EEEEMN C[C@H]1C(NNc2ccncc2Cl)=CC(=O)N1C(=O)OC(C)(C)C ZINC000766454542 577519634 /nfs/dbraw/zinc/51/96/34/577519634.db2.gz JFSGXGIBWCZQQJ-VIFPVBQESA-N 0 1 338.795 2.481 10 30 EEEEMN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759721017 577648610 /nfs/dbraw/zinc/64/86/10/577648610.db2.gz XQAJEYSJVLMBHS-GWCFXTLKSA-N 0 1 333.413 2.150 10 30 EEEEMN C#CCN1CCC[C@H]1COC(=O)COc1ccc(F)cc1Cl ZINC000756542322 577846092 /nfs/dbraw/zinc/84/60/92/577846092.db2.gz HKIIIPGDXKTNER-ZDUSSCGKSA-N 0 1 325.767 2.499 10 30 EEEEMN C#CCN1CCC[C@@H]1COC(=O)CCc1cc(OC)cc(OC)c1 ZINC000756544849 577846222 /nfs/dbraw/zinc/84/62/22/577846222.db2.gz SALVNDMUYQHUNZ-MRXNPFEDSA-N 0 1 331.412 2.277 10 30 EEEEMN C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)N1CC#N ZINC000895489991 684619137 /nfs/dbraw/zinc/61/91/37/684619137.db2.gz JAAGDNUINOKKIA-CALCHBBNSA-N 0 1 325.460 2.455 10 30 EEEEMN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)N1CC#N ZINC000895489991 684619138 /nfs/dbraw/zinc/61/91/38/684619138.db2.gz JAAGDNUINOKKIA-CALCHBBNSA-N 0 1 325.460 2.455 10 30 EEEEMN C=C(Cl)C[C@H]1NC(=O)N(C[C@@H](c2cccc(F)c2)N(C)C)C1=O ZINC000925276600 690592699 /nfs/dbraw/zinc/59/26/99/690592699.db2.gz JKQIBRDLZBHTJM-KGLIPLIRSA-N 0 1 339.798 2.491 10 30 EEEEMN CC#CCN1CC([C@@H](C)NC(=O)C(C)(C)c2cccc(OC)c2)C1 ZINC001485528658 1191820967 /nfs/dbraw/zinc/82/09/67/1191820967.db2.gz KONGQNJFKVJSEE-OAHLLOKOSA-N 0 1 328.456 2.433 10 30 EEEEMN C#Cc1ccc(C(=O)N[C@@H]2CN(CCOCC(C)C)CC2(C)C)nc1 ZINC001485581753 1191848403 /nfs/dbraw/zinc/84/84/03/1191848403.db2.gz JNFHEIWUTNHTBV-GOSISDBHSA-N 0 1 343.471 2.176 10 30 EEEEMN C=CCCCC(=O)N1CCO[C@H]([C@H](C)NCc2c(C)noc2C)C1 ZINC001485642719 1191876756 /nfs/dbraw/zinc/87/67/56/1191876756.db2.gz FGMNBEJBHBYQHV-YOEHRIQHSA-N 0 1 335.448 2.353 10 30 EEEEMN COCC#CCN1CCCC2(CN(C(=O)c3cc(C)oc3C)C2)C1 ZINC001485659335 1191880214 /nfs/dbraw/zinc/88/02/14/1191880214.db2.gz GFTCIDVIFKQTBW-UHFFFAOYSA-N 0 1 330.428 2.084 10 30 EEEEMN C=C(C)CCC(=O)NC[C@]1(NC(=O)Cc2cnc[nH]2)CCCC[C@H]1C ZINC001746483447 1191961760 /nfs/dbraw/zinc/96/17/60/1191961760.db2.gz BVJOTUVGVRWQHD-DNVCBOLYSA-N 0 1 346.475 2.490 10 30 EEEEMN C=CCN1CC[C@H](N(CCC)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001691852812 1192220982 /nfs/dbraw/zinc/22/09/82/1192220982.db2.gz LUUVBTPAXANWNJ-HNNXBMFYSA-N 0 1 330.476 2.411 10 30 EEEEMN C=CCN1CC[C@H](N(CCC)C(=O)CCn2c(C)csc2=O)C1 ZINC001691853127 1192529263 /nfs/dbraw/zinc/52/92/63/1192529263.db2.gz PRXMFGBVAJSJIT-HNNXBMFYSA-N 0 1 337.489 2.107 10 30 EEEEMN C#CCN1CCN(CCCNC(=O)c2ccccc2C2CCC2)CC1 ZINC001266277828 1176084005 /nfs/dbraw/zinc/08/40/05/1176084005.db2.gz RMBNVARQQTZZNP-UHFFFAOYSA-N 0 1 339.483 2.325 10 30 EEEEMN C=CCCOCC(=O)N[C@@H]1CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC001266364092 1176416658 /nfs/dbraw/zinc/41/66/58/1176416658.db2.gz RFCFDAUHXPYHKX-QWHCGFSZSA-N 0 1 335.275 2.354 10 30 EEEEMN CCN(CCNC(=O)[C@H](C)C#N)Cc1cc(=O)oc2cc(C)ccc12 ZINC001266381069 1176451467 /nfs/dbraw/zinc/45/14/67/1176451467.db2.gz TZQFOBZHXOOJEK-CQSZACIVSA-N 0 1 341.411 2.199 10 30 EEEEMN C#CCO[C@H](C)C(=O)N1CCC[C@H]1CNCc1cccc(F)c1F ZINC001671294299 1176486701 /nfs/dbraw/zinc/48/67/01/1176486701.db2.gz SPYGEXKRRZJSCY-HIFRSBDPSA-N 0 1 336.382 2.084 10 30 EEEEMN C=CCC(C)(C)C(=O)N1CC[C@]2(C1)CN(CCCCOC)CCO2 ZINC001282781267 1176525768 /nfs/dbraw/zinc/52/57/68/1176525768.db2.gz JPKQGYGDDFNOEJ-LJQANCHMSA-N 0 1 338.492 2.319 10 30 EEEEMN CCO[C@@H](CC)C(=O)NC[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001266502958 1176664341 /nfs/dbraw/zinc/66/43/41/1176664341.db2.gz NOUIQBVNWHSHLZ-MJGOQNOKSA-N 0 1 346.446 2.430 10 30 EEEEMN O=C(Cc1cscn1)NC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001266536968 1176779559 /nfs/dbraw/zinc/77/95/59/1176779559.db2.gz BSQAVJBDQGTEKB-QGZVFWFLSA-N 0 1 339.464 2.175 10 30 EEEEMN CCCN(CC#CCOC)CCNC(=O)c1scnc1C1CC1 ZINC001266573092 1176869920 /nfs/dbraw/zinc/86/99/20/1176869920.db2.gz HYIUJDFPKSRFDV-UHFFFAOYSA-N 0 1 335.473 2.112 10 30 EEEEMN C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001670682913 1176997260 /nfs/dbraw/zinc/99/72/60/1176997260.db2.gz 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/nfs/dbraw/zinc/67/16/76/1184671676.db2.gz UBTWCDUBUCLYGH-KRWDZBQOSA-N 0 1 335.492 2.038 10 30 EEEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001269899789 1184705778 /nfs/dbraw/zinc/70/57/78/1184705778.db2.gz RPIVEMXEOUXXHZ-HNNXBMFYSA-N 0 1 339.443 2.378 10 30 EEEEMN C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(Cc2c(C)noc2C)CC1 ZINC001270284789 1184984278 /nfs/dbraw/zinc/98/42/78/1184984278.db2.gz GMXMVCJREUFDRO-DYVFJYSZSA-N 0 1 329.444 2.374 10 30 EEEEMN CC(C)C#CC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)Nc1ccccc1F ZINC001482280027 1185020564 /nfs/dbraw/zinc/02/05/64/1185020564.db2.gz IPVHQRBKTSSXET-GJZGRUSLSA-N 0 1 347.434 2.249 10 30 EEEEMN C#CCN(C(=O)CCCC(C)C)C1CCN(CC#CCOC)CC1 ZINC001270345636 1185034318 /nfs/dbraw/zinc/03/43/18/1185034318.db2.gz IUOXGVUBMIAQJN-UHFFFAOYSA-N 0 1 332.488 2.389 10 30 EEEEMN CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(F)cc1 ZINC001270468901 1185114819 /nfs/dbraw/zinc/11/48/19/1185114819.db2.gz XMMMYYWNMBAWTR-MOPGFXCFSA-N 0 1 344.430 2.279 10 30 EEEEMN C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCC ZINC001270492072 1185127248 /nfs/dbraw/zinc/12/72/48/1185127248.db2.gz YILZDBCDWGEOQX-OAGGEKHMSA-N 0 1 335.492 2.179 10 30 EEEEMN C=CCNC(=O)CN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001270513443 1185138223 /nfs/dbraw/zinc/13/82/23/1185138223.db2.gz PTJRKYPDBGGTQA-PXNSSMCTSA-N 0 1 349.519 2.285 10 30 EEEEMN C#Cc1ccccc1CC(=O)NC[C@@H](C)CNCc1nocc1C ZINC001270578785 1185182946 /nfs/dbraw/zinc/18/29/46/1185182946.db2.gz OUGZKJSDSHQWHP-AWEZNQCLSA-N 0 1 325.412 2.049 10 30 EEEEMN C=CCOCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=C)Br)C1 ZINC001732602166 1185301126 /nfs/dbraw/zinc/30/11/26/1185301126.db2.gz JROLKSKTNJOUTG-ZIAGYGMSSA-N 0 1 343.265 2.020 10 30 EEEEMN C=CCOCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=C)Br)C1 ZINC001732602166 1185301132 /nfs/dbraw/zinc/30/11/32/1185301132.db2.gz JROLKSKTNJOUTG-ZIAGYGMSSA-N 0 1 343.265 2.020 10 30 EEEEMN C=CCCCN1CCO[C@H](CNC(=O)Cc2c(F)cccc2F)C1 ZINC001270674581 1185303269 /nfs/dbraw/zinc/30/32/69/1185303269.db2.gz SMJNCOMHVGBVEU-CQSZACIVSA-N 0 1 338.398 2.291 10 30 EEEEMN C=CCC[C@@H](C)N1CCO[C@H](CNC(=O)c2cccc(OC)c2)C1 ZINC001270690438 1185317855 /nfs/dbraw/zinc/31/78/55/1185317855.db2.gz CTMAXBZOEFEGMI-CRAIPNDOSA-N 0 1 332.444 2.481 10 30 EEEEMN CC(C)CCN1CCO[C@H](CNC(=O)CC#Cc2ccccc2)C1 ZINC001270701651 1185327794 /nfs/dbraw/zinc/32/77/94/1185327794.db2.gz WOPCYCNWKMSTIY-LJQANCHMSA-N 0 1 328.456 2.291 10 30 EEEEMN C=CCCOCC(=O)N1CC[C@](C)(CN[C@@H](C)c2ncc(C)o2)C1 ZINC001270854338 1185465689 /nfs/dbraw/zinc/46/56/89/1185465689.db2.gz RDUPTHDBPDUDEE-MAUKXSAKSA-N 0 1 335.448 2.465 10 30 EEEEMN CCc1nnc(CN[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]2C)s1 ZINC001482423424 1185670859 /nfs/dbraw/zinc/67/08/59/1185670859.db2.gz QJRHLDWREBXGLE-UONOGXRCSA-N 0 1 348.516 2.477 10 30 EEEEMN C=C(C)CCC(=O)N(C)[C@H](C)CNCC(=O)Nc1ccc(O)cc1 ZINC001270977654 1185785223 /nfs/dbraw/zinc/78/52/23/1185785223.db2.gz WBOSNFYFPALILL-CQSZACIVSA-N 0 1 333.432 2.124 10 30 EEEEMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001271100069 1185884125 /nfs/dbraw/zinc/88/41/25/1185884125.db2.gz HIQAGYNFIBNVRE-CQSZACIVSA-N 0 1 340.418 2.002 10 30 EEEEMN C#CCCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2nc(C)no2)C1 ZINC001482473952 1186011975 /nfs/dbraw/zinc/01/19/75/1186011975.db2.gz ZJJQRGRMXDSMRO-ZBFHGGJFSA-N 0 1 332.448 2.288 10 30 EEEEMN CC#CCN1CC[C@@](O)(CNC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001271167084 1186033556 /nfs/dbraw/zinc/03/35/56/1186033556.db2.gz IPKMZXXYRAHXJX-OAQYLSRUSA-N 0 1 342.483 2.004 10 30 EEEEMN C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cccc(Cl)n1)C2 ZINC001271407726 1186194187 /nfs/dbraw/zinc/19/41/87/1186194187.db2.gz LMLHYHPXKZXEMG-IMJJTQAJSA-N 0 1 349.862 2.407 10 30 EEEEMN C#CCCCCCC(=O)N1CC[C@@H]([C@H](C)NCc2nc(C)no2)C1 ZINC001271521681 1186284475 /nfs/dbraw/zinc/28/44/75/1186284475.db2.gz QYKNTVCDMVGIIO-GOEBONIOSA-N 0 1 332.448 2.288 10 30 EEEEMN C=CCC(CC=C)C(=O)N1CCC[C@H]([C@@H](C)NCc2ncnn2C)C1 ZINC001271636618 1186349763 /nfs/dbraw/zinc/34/97/63/1186349763.db2.gz QIXHBCATXKOYSX-WBVHZDCISA-N 0 1 345.491 2.300 10 30 EEEEMN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)c1c(C)nn(C)c1F ZINC001482498140 1186401970 /nfs/dbraw/zinc/40/19/70/1186401970.db2.gz LMMVMNGGWQFJNG-MFKMUULPSA-N 0 1 342.846 2.450 10 30 EEEEMN C=CCOCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1nocc1C ZINC001271729255 1186408398 /nfs/dbraw/zinc/40/83/98/1186408398.db2.gz BYKACNFFJXAHPV-MUJYYYPQSA-N 0 1 333.432 2.045 10 30 EEEEMN CC(C)[C@@H](CNC(=O)CSCC#N)NCc1c(F)cccc1F ZINC001482515899 1186438577 /nfs/dbraw/zinc/43/85/77/1186438577.db2.gz CBOAKIJPRQHXNX-OAHLLOKOSA-N 0 1 341.427 2.452 10 30 EEEEMN CC(C)[C@H](CNC(=O)c1ncccc1[O-])[NH2+]CC#Cc1ccccc1 ZINC001271830554 1186531172 /nfs/dbraw/zinc/53/11/72/1186531172.db2.gz UCZINZMEPNLMSF-KRWDZBQOSA-N 0 1 337.423 2.183 10 30 EEEEMN C=CCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001272015821 1186970599 /nfs/dbraw/zinc/97/05/99/1186970599.db2.gz LIMLZSGZAQUXIO-MSOLQXFVSA-N 0 1 345.487 2.244 10 30 EEEEMN C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2CC(=O)N(C)C1CC1 ZINC001272022502 1187027293 /nfs/dbraw/zinc/02/72/93/1187027293.db2.gz AWXSRQGUCLPDQT-IRXDYDNUSA-N 0 1 347.503 2.275 10 30 EEEEMN C#CCCCC(=O)N1CCC[C@H]2CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]21 ZINC001272071820 1187384927 /nfs/dbraw/zinc/38/49/27/1187384927.db2.gz MTJBNXQOHYKUNB-YESZJQIVSA-N 0 1 347.503 2.016 10 30 EEEEMN C=C1CCC(C(=O)NCC2(N[C@H](C)C(=O)N3CCCCC3)CC2)CC1 ZINC001670850663 1187488708 /nfs/dbraw/zinc/48/87/08/1187488708.db2.gz PYBPPSZAOGOQIL-MRXNPFEDSA-N 0 1 347.503 2.372 10 30 EEEEMN CC#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccn(C)n2)C1 ZINC001482665237 1187543403 /nfs/dbraw/zinc/54/34/03/1187543403.db2.gz ZKOXTWFHQMAHSB-FUHWJXTLSA-N 0 1 328.460 2.037 10 30 EEEEMN CCN(CCNCC#Cc1ccccc1)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001482965901 1187901958 /nfs/dbraw/zinc/90/19/58/1187901958.db2.gz QGNUCTHLMYFZFT-HXUWFJFHSA-N 0 1 347.462 2.286 10 30 EEEEMN CC(C)(C)OCC(=O)NC/C=C\CNCc1ccc(C#N)cc1F ZINC001482998960 1187978307 /nfs/dbraw/zinc/97/83/07/1187978307.db2.gz FUHIJXYIHASVJY-PLNGDYQASA-N 0 1 333.407 2.274 10 30 EEEEMN COc1c(F)cc(CNC/C=C\CNC(=O)C#CC(C)C)cc1F ZINC001483005875 1187988059 /nfs/dbraw/zinc/98/80/59/1187988059.db2.gz HTUGBVDVBSUINN-PLNGDYQASA-N 0 1 336.382 2.395 10 30 EEEEMN Cc1nc(CN2CC[C@@H]3CN(C(=O)C#CC(C)C)CC[C@H]32)oc1C ZINC001272208634 1188307026 /nfs/dbraw/zinc/30/70/26/1188307026.db2.gz WSRNYECULOAZIT-IAGOWNOFSA-N 0 1 329.444 2.374 10 30 EEEEMN COc1cccc(C(=O)NC/C=C/CNCc2ccc(C#N)s2)n1 ZINC001483075314 1188435032 /nfs/dbraw/zinc/43/50/32/1188435032.db2.gz JEOSNSRUIKRWTD-NSCUHMNNSA-N 0 1 342.424 2.099 10 30 EEEEMN C[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)[C@@H](C)CN1CCO ZINC000842163094 1188551723 /nfs/dbraw/zinc/55/17/23/1188551723.db2.gz JZNKFZBGWURQDP-KBPBESRZSA-N 0 1 337.851 2.129 10 30 EEEEMN CCn1cnc(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(C#N)cc2F)c1 ZINC001409423202 1189654283 /nfs/dbraw/zinc/65/42/83/1189654283.db2.gz PSGCXCQRXTZLEY-OLZOCXBDSA-N 0 1 343.406 2.210 10 30 EEEEMN C#Cc1ccc(C(=O)N(C)C[C@H](C)N[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC001485907661 1193635956 /nfs/dbraw/zinc/63/59/56/1193635956.db2.gz BTWHVEUGBGPVLB-UONOGXRCSA-N 0 1 339.443 2.160 10 30 EEEEMN C[C@@H]1CN(CCCNC(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@H](C)O1 ZINC000905669599 1189854015 /nfs/dbraw/zinc/85/40/15/1189854015.db2.gz ZTYLVOXCNQSHNS-PBDXBIJPSA-N 0 1 333.476 2.322 10 30 EEEEMN COCC#CCN(C)C[C@H](C)NC(=O)c1ccc(OCC(C)C)cc1 ZINC001483418648 1190465272 /nfs/dbraw/zinc/46/52/72/1190465272.db2.gz WSYHLPBOQZKKMW-KRWDZBQOSA-N 0 1 346.471 2.421 10 30 EEEEMN COCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1F)CC2 ZINC001486134685 1193690836 /nfs/dbraw/zinc/69/08/36/1193690836.db2.gz FYYYWWBGXBICFK-PKOBYXMFSA-N 0 1 345.418 2.347 10 30 EEEEMN C=CCC(CC=C)C(=O)N[C@@]12CCC[C@@H]1N(CC(=O)NC1CC1)CC2 ZINC001486145187 1193696327 /nfs/dbraw/zinc/69/63/27/1193696327.db2.gz JQDRYRITFJZFEQ-FXAWDEMLSA-N 0 1 345.487 2.147 10 30 EEEEMN CC(C)c1nsc(CNCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001272384766 1190795632 /nfs/dbraw/zinc/79/56/32/1190795632.db2.gz RFPHXQBEIJAEHG-STQMWFEESA-N 0 1 335.477 2.149 10 30 EEEEMN CC(C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1F)=C1CCCC1 ZINC001272389451 1190798324 /nfs/dbraw/zinc/79/83/24/1190798324.db2.gz NSSHZEGGCPATSW-KRWDZBQOSA-N 0 1 345.418 2.155 10 30 EEEEMN C=CCCC(=O)NCC1(NCC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC001483720948 1190815793 /nfs/dbraw/zinc/81/57/93/1190815793.db2.gz KCXUGBKKNUISIQ-CVEARBPZSA-N 0 1 335.492 2.228 10 30 EEEEMN CC(C)c1nnc(CNCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)s1 ZINC001272429643 1190816106 /nfs/dbraw/zinc/81/61/06/1190816106.db2.gz GFMJMRDBCWHGGI-OAHLLOKOSA-N 0 1 346.500 2.403 10 30 EEEEMN C=CC(C)(C)C(=O)NC[C@H](O)CNCc1cnc(-c2ccccc2)o1 ZINC001272497572 1190852909 /nfs/dbraw/zinc/85/29/09/1190852909.db2.gz YZIFXEQWGWSWOP-OAHLLOKOSA-N 0 1 343.427 2.121 10 30 EEEEMN C=CCOCC(=O)N1CCC[C@@H]1CNCc1ccn(C2CCCC2)n1 ZINC001671281199 1190979330 /nfs/dbraw/zinc/97/93/30/1190979330.db2.gz ROWRTHAWHNCPJS-GOSISDBHSA-N 0 1 346.475 2.281 10 30 EEEEMN C=CCOCC(=O)N1CC[C@]2(CCN(Cc3nc(C)sc3C)C2)C1 ZINC001483844561 1191079190 /nfs/dbraw/zinc/07/91/90/1191079190.db2.gz XZNXOWRCFIICNX-SFHVURJKSA-N 0 1 349.500 2.387 10 30 EEEEMN C=C(C)CCC(=O)N1CC[C@H](NCc2ncnn2CCF)C[C@H]1C ZINC001483900983 1191107536 /nfs/dbraw/zinc/10/75/36/1191107536.db2.gz HQSCQNDUUDTDDJ-CABCVRRESA-N 0 1 337.443 2.073 10 30 EEEEMN C=CCCC(=O)N1CCC[C@H]1CNCC(=O)Nc1ccccc1C ZINC001483923317 1191118168 /nfs/dbraw/zinc/11/81/68/1191118168.db2.gz YCAOOUAMVROFDQ-INIZCTEOSA-N 0 1 329.444 2.480 10 30 EEEEMN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]1CNCc1cc(C)no1 ZINC001483937710 1191124319 /nfs/dbraw/zinc/12/43/19/1191124319.db2.gz IDKCMWOGQBVTIA-QAPCUYQASA-N 0 1 335.448 2.292 10 30 EEEEMN CC1(NC(=O)C[C@@H]2CCOC2)CCN(CC#Cc2ccccc2)CC1 ZINC001483964704 1191133867 /nfs/dbraw/zinc/13/38/67/1191133867.db2.gz ZUVZBUSGNDTRNY-IBGZPJMESA-N 0 1 340.467 2.435 10 30 EEEEMN C#CCN(C(=O)c1conc1C)C1CCN(Cc2cccnc2)CC1 ZINC001483986751 1191143275 /nfs/dbraw/zinc/14/32/75/1191143275.db2.gz 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ZINC001267760382 1180433154 /nfs/dbraw/zinc/43/31/54/1180433154.db2.gz UZWDWRJJKSDFFD-SJLPKXTDSA-N 0 1 331.460 2.404 10 30 EEEEMN C=CCOCCN1CC[C@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001267768941 1180462334 /nfs/dbraw/zinc/46/23/34/1180462334.db2.gz RRQWVCOEAXTCBN-AWEZNQCLSA-N 0 1 329.400 2.177 10 30 EEEEMN CCN(C(=O)C[C@@H](C)C(F)(F)F)[C@@H]1CCN(CC#CCOC)C1 ZINC001267792309 1180540793 /nfs/dbraw/zinc/54/07/93/1180540793.db2.gz YBBADLVONQUIHH-ZIAGYGMSSA-N 0 1 334.382 2.148 10 30 EEEEMN C=CCCC(=O)NC[C@H](CC)NCc1cc(C(F)(F)F)n(C)n1 ZINC001267797450 1180546044 /nfs/dbraw/zinc/54/60/44/1180546044.db2.gz ISOPPAJIWJEPSK-NSHDSACASA-N 0 1 332.370 2.390 10 30 EEEEMN CC(C)C#CC(=O)NCCC1CCN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC001267943789 1180805095 /nfs/dbraw/zinc/80/50/95/1180805095.db2.gz BSVKQQVYDIGAFK-QGZVFWFLSA-N 0 1 349.519 2.025 10 30 EEEEMN C=CCNC(=O)CN1CCC(CCNC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001267947144 1180808202 /nfs/dbraw/zinc/80/82/02/1180808202.db2.gz KMSUELYTUHCFJH-YLJYHZDGSA-N 0 1 347.503 2.087 10 30 EEEEMN C=CCOCCN1CCC[C@@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001267949366 1180810827 /nfs/dbraw/zinc/81/08/27/1180810827.db2.gz HUZYIEHFWIOJQP-QZTJIDSGSA-N 0 1 344.455 2.021 10 30 EEEEMN CN(CCNCC#Cc1cccc(Cl)c1)C(=O)c1ccc(=O)[nH]c1 ZINC001481309775 1180994529 /nfs/dbraw/zinc/99/45/29/1180994529.db2.gz GVOWXPBADIDABN-UHFFFAOYSA-N 0 1 343.814 2.154 10 30 EEEEMN C=CCC[C@@H](C)N1CCO[C@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001268022603 1181013627 /nfs/dbraw/zinc/01/36/27/1181013627.db2.gz VKNSIDREODJIIR-NVXWUHKLSA-N 0 1 331.460 2.429 10 30 EEEEMN C=CCC[C@@H](C)N1CCO[C@@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC001268026557 1181078087 /nfs/dbraw/zinc/07/80/87/1181078087.db2.gz OQHCCISOIYFEAH-PBHICJAKSA-N 0 1 344.459 2.139 10 30 EEEEMN C=CCC[C@H](C)N1CCO[C@@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC001268026982 1181093528 /nfs/dbraw/zinc/09/35/28/1181093528.db2.gz YLEQNKWHIJGSJY-JSGCOSHPSA-N 0 1 339.386 2.145 10 30 EEEEMN CC#CCN1CC[C@@H](N(CCC)C(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001481399123 1181208129 /nfs/dbraw/zinc/20/81/29/1181208129.db2.gz GJKNPNYIQPTDCA-MRXNPFEDSA-N 0 1 342.487 2.167 10 30 EEEEMN C=C(C)CCN1CCO[C@H](CNC(=O)COc2ccc(C)c(C)c2)C1 ZINC001268029853 1181211800 /nfs/dbraw/zinc/21/18/00/1181211800.db2.gz ZXYUDVKRDPUNHS-LJQANCHMSA-N 0 1 346.471 2.465 10 30 EEEEMN C=C(Cl)CN1CC[C@@H](CCNC(=O)CC[C@]2(C)CCC(=O)N2)C1 ZINC001481465428 1181481825 /nfs/dbraw/zinc/48/18/25/1181481825.db2.gz SUBCVUPNRQJGOJ-RHSMWYFYSA-N 0 1 341.883 2.016 10 30 EEEEMN C#CCCCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccn(C)n2)C1 ZINC001481494732 1181562253 /nfs/dbraw/zinc/56/22/53/1181562253.db2.gz WIOIANLNVNUQCG-QGZVFWFLSA-N 0 1 330.476 2.284 10 30 EEEEMN C#CCCCCCC(=O)N1CC[C@H](CN(C)Cc2ccn(C)n2)C1 ZINC001481494732 1181562256 /nfs/dbraw/zinc/56/22/56/1181562256.db2.gz WIOIANLNVNUQCG-QGZVFWFLSA-N 0 1 330.476 2.284 10 30 EEEEMN C=CCC1(C(=O)N2CC[C@@H](CN(C)CC(=O)NC(C)(C)C)C2)CCC1 ZINC001481498773 1181572574 /nfs/dbraw/zinc/57/25/74/1181572574.db2.gz RUDOCICAVHZTNR-INIZCTEOSA-N 0 1 349.519 2.428 10 30 EEEEMN C#Cc1cncc(C(=O)N[C@@H](CNCc2ocnc2C)CC(C)C)c1 ZINC001268112603 1181757095 /nfs/dbraw/zinc/75/70/95/1181757095.db2.gz WMAZIYPDRBWDOJ-QGZVFWFLSA-N 0 1 340.427 2.294 10 30 EEEEMN CCn1ncc(CN[C@H](C)[C@H]2CCCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001268172993 1181946778 /nfs/dbraw/zinc/94/67/78/1181946778.db2.gz CFDCLWSLTZHGAM-CVEARBPZSA-N 0 1 345.491 2.064 10 30 EEEEMN C[C@H](NCC#N)[C@H]1CCCN(C(=O)c2sccc2CN(C)C)C1 ZINC001268173581 1181950750 /nfs/dbraw/zinc/95/07/50/1181950750.db2.gz YFVHFOVAWMSQCR-KBPBESRZSA-N 0 1 334.489 2.164 10 30 EEEEMN CCCc1noc(CNC[C@@H]2CCC[C@@H]2NC(=O)C#CC(C)C)n1 ZINC001268275387 1182129960 /nfs/dbraw/zinc/12/99/60/1182129960.db2.gz GEUBPNYCHCUSRX-GJZGRUSLSA-N 0 1 332.448 2.056 10 30 EEEEMN C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OCC)C1CCOCC1 ZINC001481675390 1182188951 /nfs/dbraw/zinc/18/89/51/1182188951.db2.gz MQPQWGWTCDQHSL-OKZBNKHCSA-N 0 1 336.476 2.069 10 30 EEEEMN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCCO2 ZINC001481674042 1182193207 /nfs/dbraw/zinc/19/32/07/1182193207.db2.gz JFECIZWAPZXWEX-HOTGVXAUSA-N 0 1 344.459 2.311 10 30 EEEEMN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2cccc(OC(C)C)c2)C1 ZINC001481702424 1182240747 /nfs/dbraw/zinc/24/07/47/1182240747.db2.gz RXECRZHYFVBFBY-SJLPKXTDSA-N 0 1 344.455 2.203 10 30 EEEEMN C=CCOCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(OC)c2C)C1 ZINC001481720846 1182367817 /nfs/dbraw/zinc/36/78/17/1182367817.db2.gz PMRLBJRRXXAYLQ-QGZVFWFLSA-N 0 1 332.444 2.239 10 30 EEEEMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)OCc2cccc(C)c2)C1 ZINC001481737165 1182445829 /nfs/dbraw/zinc/44/58/29/1182445829.db2.gz XBUWUCTUXNIUOA-HKUYNNGSSA-N 0 1 328.456 2.456 10 30 EEEEMN C=CCCCC(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001745725523 1182477267 /nfs/dbraw/zinc/47/72/67/1182477267.db2.gz VMMZROACAMLZSJ-HOTGVXAUSA-N 0 1 346.475 2.252 10 30 EEEEMN C=CCC1(C(=O)N2CC[C@H](CN(C)C(=O)c3ccn[nH]3)C2)CCCC1 ZINC001745729201 1182495008 /nfs/dbraw/zinc/49/50/08/1182495008.db2.gz CDAAUHXSSOLOAA-OAHLLOKOSA-N 0 1 344.459 2.467 10 30 EEEEMN C=CCOCCN1CC[C@H](N(C)C(=O)c2csc(C3CC3)n2)C1 ZINC001481754809 1182558954 /nfs/dbraw/zinc/55/89/54/1182558954.db2.gz UDCISGXMQWTANA-AWEZNQCLSA-N 0 1 335.473 2.369 10 30 EEEEMN C#CCOCCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001481766123 1182646719 /nfs/dbraw/zinc/64/67/19/1182646719.db2.gz CSVJESXWOYDHCS-QGZVFWFLSA-N 0 1 332.419 2.288 10 30 EEEEMN C#CCCNCc1nc2c(s1)CCN(C(=O)[C@@H](CCC)OCC)C2 ZINC001691805628 1182928424 /nfs/dbraw/zinc/92/84/24/1182928424.db2.gz XLVIAYRBRJUNCF-OAHLLOKOSA-N 0 1 349.500 2.346 10 30 EEEEMN COc1cc(CNC[C@]2(NC(=O)C#CC(C)C)CCCC[C@H]2C)on1 ZINC001481959385 1183040084 /nfs/dbraw/zinc/04/00/84/1183040084.db2.gz XBJVKZSQRLIUGV-DNVCBOLYSA-N 0 1 347.459 2.497 10 30 EEEEMN C=CCCO[C@@H](C)C(=O)N[C@H]1CC[C@H](NCc2ncc(C)cn2)CC1 ZINC001482012193 1183138891 /nfs/dbraw/zinc/13/88/91/1183138891.db2.gz QSFVUQGYHJNIRR-ULQDDVLXSA-N 0 1 346.475 2.283 10 30 EEEEMN Cc1cccc(NC(=O)[C@@H](C)NC/C=C\CNC(=O)C#CC(C)C)c1 ZINC001268538317 1183199835 /nfs/dbraw/zinc/19/98/35/1183199835.db2.gz ZBACXTWFRPSWDT-KEGWNNHHSA-N 0 1 341.455 2.243 10 30 EEEEMN C#Cc1ccc(C(=O)N[C@@H](C)CNCc2oc(CCC)nc2C)nc1 ZINC001268712385 1183632781 /nfs/dbraw/zinc/63/27/81/1183632781.db2.gz SYRWGIQKPLALGF-ZDUSSCGKSA-N 0 1 340.427 2.220 10 30 EEEEMN C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCn1c(C)csc1=O ZINC001268745387 1183665046 /nfs/dbraw/zinc/66/50/46/1183665046.db2.gz IACAPDLZKGSSSD-SUMWQHHRSA-N 0 1 339.505 2.257 10 30 EEEEMN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)CCn1c(C)csc1=O ZINC001268745387 1183665050 /nfs/dbraw/zinc/66/50/50/1183665050.db2.gz IACAPDLZKGSSSD-SUMWQHHRSA-N 0 1 339.505 2.257 10 30 EEEEMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC001482194083 1183710493 /nfs/dbraw/zinc/71/04/93/1183710493.db2.gz DJUJGEBVPIFIKW-GOEBONIOSA-N 0 1 348.443 2.138 10 30 EEEEMN C#Cc1ccc(C(=O)N(C)CCCNCc2nc(C)sc2C)nc1 ZINC001268919951 1183816935 /nfs/dbraw/zinc/81/69/35/1183816935.db2.gz DQQFRNOFYHXYLQ-UHFFFAOYSA-N 0 1 342.468 2.388 10 30 EEEEMN C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(F)(F)C1 ZINC001268929477 1183831815 /nfs/dbraw/zinc/83/18/15/1183831815.db2.gz BFRGSLOQTTVDDC-SNPRPXQTSA-N 0 1 328.403 2.298 10 30 EEEEMN CN(C(=O)C#CC1CC1)[C@H]1CCN(CCOc2cccc(F)c2)C1 ZINC001269239743 1184088785 /nfs/dbraw/zinc/08/87/85/1184088785.db2.gz DBHAOSDZGSPASP-KRWDZBQOSA-N 0 1 330.403 2.151 10 30 EEEEMN C=CC1(CC(=O)N(C)[C@@H]2CCN([C@@H]3CCCNC3=O)C2)CCCCC1 ZINC001269280125 1184132512 /nfs/dbraw/zinc/13/25/12/1184132512.db2.gz IFMVKWVXEUAOQY-IAGOWNOFSA-N 0 1 347.503 2.324 10 30 EEEEMN C=CCNC(=O)[C@@H](C)NC1(CNC(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC001269544561 1184368374 /nfs/dbraw/zinc/36/83/74/1184368374.db2.gz KHEWTNRLDRLQCL-FTXHTYHOSA-N 0 1 347.503 2.132 10 30 EEEEMN CC(C)C#CC(=O)NC1(CNCc2cn(C(C)C)nn2)CCCC1 ZINC001269545667 1184370901 /nfs/dbraw/zinc/37/09/01/1184370901.db2.gz YKUNVQACEIMOMR-UHFFFAOYSA-N 0 1 331.464 2.037 10 30 EEEEMN CCn1nc(C)c(CNC[C@@](C)(NC(=O)C#CC(C)(C)C)C2CC2)n1 ZINC001269614735 1184438166 /nfs/dbraw/zinc/43/81/66/1184438166.db2.gz LQRRRSFUHVQDMU-LJQANCHMSA-N 0 1 345.491 2.030 10 30 EEEEMN COCC#CCN1CCC[C@]2(CCN(C(=O)c3csnc3C)C2)C1 ZINC001269685074 1184508338 /nfs/dbraw/zinc/50/83/38/1184508338.db2.gz BZMCKSBYGSLWEW-SFHVURJKSA-N 0 1 347.484 2.029 10 30 EEEEMN C=CCCCCCN1CC(N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC001269831177 1184650980 /nfs/dbraw/zinc/65/09/80/1184650980.db2.gz FLFVATJTVYLZOF-HNNXBMFYSA-N 0 1 337.508 2.426 10 30 EEEEMN N#CCSCC(=O)N[C@H]1CC[C@H](NCc2coc(C3CC3)n2)CC1 ZINC001269957077 1184746559 /nfs/dbraw/zinc/74/65/59/1184746559.db2.gz LHNRROJYDFGDSF-HDJSIYSDSA-N 0 1 348.472 2.326 10 30 EEEEMN Cc1ncoc1C(=O)N(C)[C@H](C)CNCc1cc(F)ccc1C#N ZINC001482269425 1184892188 /nfs/dbraw/zinc/89/21/88/1184892188.db2.gz OEOXDMLBTTUQKC-LLVKDONJSA-N 0 1 330.363 2.244 10 30 EEEEMN C#CCCCCCC(=O)NC1(C)CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001270242823 1184953246 /nfs/dbraw/zinc/95/32/46/1184953246.db2.gz KKMVQIDNDFRIQJ-MRXNPFEDSA-N 0 1 347.503 2.208 10 30 EEEEMN C#Cc1cccc(NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H](C)CC)c1 ZINC001482276032 1184975828 /nfs/dbraw/zinc/97/58/28/1184975828.db2.gz PHIDPIZPDHVAGP-JKSUJKDBSA-N 0 1 343.471 2.479 10 30 EEEEMN C#CCN(C(=O)CC(C)C)C1CCN([C@@H](C)c2n[nH]c(C)n2)CC1 ZINC001270279491 1184982395 /nfs/dbraw/zinc/98/23/95/1184982395.db2.gz MLXKAKJTZAYOKI-AWEZNQCLSA-N 0 1 331.464 2.146 10 30 EEEEMN C#CCN(C(=O)c1cc(OC)ccn1)C1CCN(C/C=C\Cl)CC1 ZINC001270331450 1185023900 /nfs/dbraw/zinc/02/39/00/1185023900.db2.gz DIPXSNLXLYWRER-YWEYNIOJSA-N 0 1 347.846 2.383 10 30 EEEEMN C=CCNC(=O)CN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001270513445 1185138061 /nfs/dbraw/zinc/13/80/61/1185138061.db2.gz PTJRKYPDBGGTQA-YLJYHZDGSA-N 0 1 349.519 2.285 10 30 EEEEMN C=C[C@@](C)(CC)C(=O)N1CC[C@](C)(CNCc2nnnn2CCC)C1 ZINC001270789344 1185389787 /nfs/dbraw/zinc/38/97/87/1185389787.db2.gz SPUIAMGIJIPODC-MSOLQXFVSA-N 0 1 348.495 2.014 10 30 EEEEMN C=CCCCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCc2ccccc21 ZINC001482327920 1185407547 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C=CCC1(C(=O)NC/C=C/CNCc2cnoc2C)CCOCC1 ZINC001497735010 1102986626 /nfs/dbraw/zinc/98/66/26/1102986626.db2.gz USXMWOKULLTFKH-SNAWJCMRSA-N 0 1 333.432 2.118 10 30 EEEEMN COCC#CCN[C@@H](CNC(=O)[C@@H](C)OC)c1ccc(C(C)C)cc1 ZINC001493880072 1103030264 /nfs/dbraw/zinc/03/02/64/1103030264.db2.gz ZVHSKJLEJAOLAX-APWZRJJASA-N 0 1 346.471 2.242 10 30 EEEEMN CC#CCN[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)c1ccccc1 ZINC001493896781 1103071556 /nfs/dbraw/zinc/07/15/56/1103071556.db2.gz BSMJRYIYICJRCD-VQIMIIECSA-N 0 1 337.423 2.319 10 30 EEEEMN C#CCN[C@@H](CNC(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC001493902499 1103086388 /nfs/dbraw/zinc/08/63/88/1103086388.db2.gz BUIIMKZXGCPHDN-IBGZPJMESA-N 0 1 349.434 2.082 10 30 EEEEMN C#CCN[C@@H](CNC(=O)Cc1c(C)nn(CC)c1C)c1ccccc1 ZINC001493902531 1103086481 /nfs/dbraw/zinc/08/64/81/1103086481.db2.gz CKWWACLQSZULRX-IBGZPJMESA-N 0 1 338.455 2.143 10 30 EEEEMN C#CCN[C@H](CNC(=O)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC001493903864 1103092752 /nfs/dbraw/zinc/09/27/52/1103092752.db2.gz NAZOKFMWEUXWHM-LJQANCHMSA-N 0 1 335.407 2.339 10 30 EEEEMN C=C(C)CCC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001497898059 1103280542 /nfs/dbraw/zinc/28/05/42/1103280542.db2.gz PSHCYDSTQKYTBB-AWEZNQCLSA-N 0 1 332.448 2.249 10 30 EEEEMN C=C(C)CN1CCN(CCN(C)C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001494102753 1103519742 /nfs/dbraw/zinc/51/97/42/1103519742.db2.gz QWCPEQKSUNBYIC-INIZCTEOSA-N 0 1 343.462 2.464 10 30 EEEEMN C=CCN1CCN(CCN(C)C(=O)[C@@H](c2cccnc2)C(C)C)CC1 ZINC001494103564 1103521104 /nfs/dbraw/zinc/52/11/04/1103521104.db2.gz ADAZIJZRFQAXOQ-LJQANCHMSA-N 0 1 344.503 2.083 10 30 EEEEMN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)c1cccn(C(C)(C)C)c1=O ZINC001447894330 1103536035 /nfs/dbraw/zinc/53/60/35/1103536035.db2.gz JUBLYUFQMAGYEW-OLZOCXBDSA-N 0 1 339.867 2.452 10 30 EEEEMN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)CCNC(=O)C1CCCCC1 ZINC001447895294 1103539911 /nfs/dbraw/zinc/53/99/11/1103539911.db2.gz KOCJAYUYKFPPII-ZIAGYGMSSA-N 0 1 343.899 2.308 10 30 EEEEMN C=CCCC(=O)N1CC[C@@H](CN(C)CC(=O)NCCC(C)(C)C)C1 ZINC001494120786 1103550649 /nfs/dbraw/zinc/55/06/49/1103550649.db2.gz TVFMHZIQBRZNIN-INIZCTEOSA-N 0 1 337.508 2.285 10 30 EEEEMN C=C[C@@](C)(O)CC(=O)N1CC[C@H](CN(C)Cc2ccccc2C#N)C1 ZINC001494124177 1103558730 /nfs/dbraw/zinc/55/87/30/1103558730.db2.gz DROHHQIVDLTLST-OXQOHEQNSA-N 0 1 341.455 2.166 10 30 EEEEMN C#CCCCC(=O)N1CCC(CN(C)Cc2c(C)nnn2CC)CC1 ZINC001494191336 1103674324 /nfs/dbraw/zinc/67/43/24/1103674324.db2.gz GSNOBJBRFAIDPW-UHFFFAOYSA-N 0 1 345.491 2.080 10 30 EEEEMN CC#CCCCC(=O)N1CCC[C@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001494268375 1103779763 /nfs/dbraw/zinc/77/97/63/1103779763.db2.gz FLJVENMQURILQQ-MRXNPFEDSA-N 0 1 344.459 2.189 10 30 EEEEMN CC[C@H](F)C(=O)N[C@H](C)C1CN(Cc2ccc(OCC#N)cc2)C1 ZINC001448325234 1104396820 /nfs/dbraw/zinc/39/68/20/1104396820.db2.gz BCOWYUKDGSMBCX-DYVFJYSZSA-N 0 1 333.407 2.274 10 30 EEEEMN CCN(C(=O)C#CC1CC1)[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC001494897874 1104521672 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C[C@H](C#N)C(=O)NCC[C@@H](C)NCc1nc(-c2ccc(F)cc2)no1 ZINC001480754492 1107052716 /nfs/dbraw/zinc/05/27/16/1107052716.db2.gz RRQXILSFKXATAU-VXGBXAGGSA-N 0 1 345.378 2.020 10 30 EEEEMN C=CC(C)(C)CC(=O)NCCC[C@H]1CCCN1Cc1cnnn1C ZINC001480824852 1107200968 /nfs/dbraw/zinc/20/09/68/1107200968.db2.gz UZFBMHSJRLJMIL-HNNXBMFYSA-N 0 1 333.480 2.278 10 30 EEEEMN COc1ccc(CN(C)C[C@@H](C)NC(=O)COC(C)(C)C)cc1C#N ZINC001498287859 1107222308 /nfs/dbraw/zinc/22/23/08/1107222308.db2.gz YNWQVENFPRGQFK-CQSZACIVSA-N 0 1 347.459 2.318 10 30 EEEEMN CC(C)C#CC(=O)NC[C@H]1CCCN1C[C@@H](O)c1ccccc1F ZINC001493098901 1107489705 /nfs/dbraw/zinc/48/97/05/1107489705.db2.gz RDIZAUFKJAARQK-CRAIPNDOSA-N 0 1 332.419 2.099 10 30 EEEEMN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001493118180 1107531122 /nfs/dbraw/zinc/53/11/22/1107531122.db2.gz RGQMTZKFQQRPGR-AWEZNQCLSA-N 0 1 329.400 2.225 10 30 EEEEMN COCC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001493152659 1107602970 /nfs/dbraw/zinc/60/29/70/1107602970.db2.gz 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2.288 10 30 EEEEMN C#C[C@H](NS(=O)(=O)c1csnc1OC)c1ccc(Cl)cc1 ZINC001463836466 1110381712 /nfs/dbraw/zinc/38/17/12/1110381712.db2.gz ZBDGFNUSVQJOBW-NSHDSACASA-N 0 1 342.829 2.458 10 30 EEEEMN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C(F)F)[nH]n2)c1 ZINC001464312721 1110391436 /nfs/dbraw/zinc/39/14/36/1110391436.db2.gz QLCSXFLCIHAZGU-UHFFFAOYSA-N 0 1 332.310 2.039 10 30 EEEEMN N#CCn1cc(NC(=O)c2ccc(-c3ccc(C=O)o3)cc2O)cn1 ZINC001464514729 1110396127 /nfs/dbraw/zinc/39/61/27/1110396127.db2.gz YRLNBYIAMJAIGL-UHFFFAOYSA-N 0 1 336.307 2.437 10 30 EEEEMN C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@]3(C)CO)n[nH]2)c1C ZINC001466746002 1110442577 /nfs/dbraw/zinc/44/25/77/1110442577.db2.gz RPGAGZVIIAVCCP-SFHVURJKSA-N 0 1 343.431 2.063 10 30 EEEEMN N#Cc1ccc2nc(NC(=O)CCN3CSCCSC3)[nH]c2c1 ZINC001470719607 1110511041 /nfs/dbraw/zinc/51/10/41/1110511041.db2.gz QHVIGPPWXZHGPA-UHFFFAOYSA-N 0 1 347.469 2.460 10 30 EEEEMN CC(C)C[C@H]1CN(C)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC001479159718 1110661028 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DQBQKDXMFFZFDL-UHFFFAOYSA-N 0 1 337.427 2.458 10 30 EEEEMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CCN1C ZINC000121936226 463220529 /nfs/dbraw/zinc/22/05/29/463220529.db2.gz DLKYXBSGVLZVEF-VXGBXAGGSA-N 0 1 341.864 2.315 10 30 EEEEMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](c2nncn2CC)C1 ZINC000161280967 463415965 /nfs/dbraw/zinc/41/59/65/463415965.db2.gz ZAMQGGTUUXZTRL-JKSUJKDBSA-N 0 1 331.464 2.067 10 30 EEEEMN C[C@H]1CN(C2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)CCO1 ZINC000124482278 463428141 /nfs/dbraw/zinc/42/81/41/463428141.db2.gz XSFZHRQSBHELHG-HNNXBMFYSA-N 0 1 342.443 2.470 10 30 EEEEMN C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)CC1 ZINC000172463438 464087831 /nfs/dbraw/zinc/08/78/31/464087831.db2.gz MTUYKPPCTRUTKL-QGZVFWFLSA-N 0 1 345.491 2.442 10 30 EEEEMN C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000187995242 464180651 /nfs/dbraw/zinc/18/06/51/464180651.db2.gz FCKFWUPWWSPSBG-VQIMIIECSA-N 0 1 329.444 2.416 10 30 EEEEMN C[C@@H]1CC[C@@](CO)(N(C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000187995242 464180655 /nfs/dbraw/zinc/18/06/55/464180655.db2.gz FCKFWUPWWSPSBG-VQIMIIECSA-N 0 1 329.444 2.416 10 30 EEEEMN CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000359570583 465461879 /nfs/dbraw/zinc/46/18/79/465461879.db2.gz ZVONNTQSIXSIIE-QWFCFKBJSA-N 0 1 346.519 2.191 10 30 EEEEMN N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4OCCC[C@H]4C3)C2=O)cc1 ZINC000246449102 464587255 /nfs/dbraw/zinc/58/72/55/464587255.db2.gz BTTZACRAZJYPCM-SZMVWBNQSA-N 0 1 325.412 2.164 10 30 EEEEMN C[C@H](O)CN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H]1C ZINC000248572416 464765676 /nfs/dbraw/zinc/76/56/76/464765676.db2.gz CWFPGQBWIYOZIC-BQFCYCMXSA-N 0 1 344.459 2.128 10 30 EEEEMN C[C@@H]1CC(O)C[C@@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248792725 464802447 /nfs/dbraw/zinc/80/24/47/464802447.db2.gz XWQDAAUAFYQWEU-LBTNJELSSA-N 0 1 327.428 2.287 10 30 EEEEMN CCOCCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H]1CC ZINC000183816599 464914022 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SYFFXXYJOGFLGH-MRXNPFEDSA-N 0 1 335.492 2.182 10 30 EEEEMN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000667863426 471929747 /nfs/dbraw/zinc/92/97/47/471929747.db2.gz WOQBIDKLVFBGMY-SJORKVTESA-N 0 1 347.459 2.312 10 30 EEEEMN C=CCOCCCNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000662664116 472193627 /nfs/dbraw/zinc/19/36/27/472193627.db2.gz OEUCNOURRYILCY-HNNXBMFYSA-N 0 1 341.249 2.332 10 30 EEEEMN C=C(Br)CNCCN(CC)C(=O)c1cnc(C)s1 ZINC001268440811 1182617111 /nfs/dbraw/zinc/61/71/11/1182617111.db2.gz KHYSVVFUKJGKJA-UHFFFAOYSA-N 0 1 332.267 2.412 10 30 EEEEMN N#CCCCS(=O)(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000111334207 534625926 /nfs/dbraw/zinc/62/59/26/534625926.db2.gz BNCRUKIYNJOKCS-QGZVFWFLSA-N 0 1 335.473 2.264 10 30 EEEEMN C[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)NC1(C#N)CCCCC1 ZINC000758133874 577616496 /nfs/dbraw/zinc/61/64/96/577616496.db2.gz MSDVKSCUYSLISI-CHWSQXEVSA-N 0 1 344.415 2.104 10 30 EEEEMN CCN1CCN(c2ccc(C(=O)[C@H](C#N)c3ccncn3)cc2)CC1 ZINC000760347890 577661310 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1118911224 /nfs/dbraw/zinc/91/12/24/1118911224.db2.gz UEJIPUZGYPXAJF-OLZOCXBDSA-N 0 1 345.451 2.205 10 30 EEEEMN C#CCN1CCC(OC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)CC1 ZINC001520078448 1119125015 /nfs/dbraw/zinc/12/50/15/1119125015.db2.gz XBQYOGRCVIOFSR-UHFFFAOYSA-N 0 1 342.395 2.440 10 30 EEEEMN CC#CCCCC(=O)N(CCCNC(=O)c1[nH]nc(C)c1C)C1CC1 ZINC001523979031 1119942559 /nfs/dbraw/zinc/94/25/59/1119942559.db2.gz AFSOXUXLGGTURG-UHFFFAOYSA-N 0 1 344.459 2.331 10 30 EEEEMN C=CC(C)(C)CC(=O)N1CCC[C@@H](CNC(=O)CN2CCCC2)C1 ZINC001525929358 1120378001 /nfs/dbraw/zinc/37/80/01/1120378001.db2.gz RUDZIGRGGRWKDN-INIZCTEOSA-N 0 1 335.492 2.039 10 30 EEEEMN C#CCCCCCC(=O)N1CC[C@H](CN(C)C(=O)c2cc(C)[nH]n2)C1 ZINC001530178937 1121840216 /nfs/dbraw/zinc/84/02/16/1121840216.db2.gz KIEIAUSBDBKUKA-MRXNPFEDSA-N 0 1 344.459 2.222 10 30 EEEEMN CC#CCCCC(=O)NC1CN(C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001530590165 1122021277 /nfs/dbraw/zinc/02/12/77/1122021277.db2.gz FXQNXIPCWKBXJS-UHFFFAOYSA-N 0 1 344.459 2.277 10 30 EEEEMN C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001531645177 1122485743 /nfs/dbraw/zinc/48/57/43/1122485743.db2.gz OPVDJFJYLBBBIL-SJORKVTESA-N 0 1 349.519 2.476 10 30 EEEEMN C=C1CC(C)(C(=O)NC[C@H](NC(=O)CN2CCC(C)(C)C2)C(C)C)C1 ZINC001532841832 1122970061 /nfs/dbraw/zinc/97/00/61/1122970061.db2.gz JRDYUAVUCZTEEP-INIZCTEOSA-N 0 1 349.519 2.332 10 30 EEEEMN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccn[nH]2)C1 ZINC001533053372 1123048153 /nfs/dbraw/zinc/04/81/53/1123048153.db2.gz AAQFFNWFIFQFGE-DZGCQCFKSA-N 0 1 330.432 2.075 10 30 EEEEMN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNC(=O)c1occc1CN(C)C ZINC001533904485 1123274399 /nfs/dbraw/zinc/27/43/99/1123274399.db2.gz CUMQOZTZUMJIKO-ACJLOTCBSA-N 0 1 335.448 2.178 10 30 EEEEMN C#CCN(C(=O)c1cc(C)[nH]n1)C1CCN(C(=O)C(CC)CC)CC1 ZINC001536623816 1123747807 /nfs/dbraw/zinc/74/78/07/1123747807.db2.gz FKOLEVVBPYUFPS-UHFFFAOYSA-N 0 1 344.459 2.221 10 30 EEEEMN C#CCCCC(=O)N(CC)[C@H]1CCN(Cc2ccnc(N(C)C)c2)C1 ZINC001567935468 1124191070 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C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNCc1noc2c1COCC2 ZINC001568674104 1124687646 /nfs/dbraw/zinc/68/76/46/1124687646.db2.gz FXLHMCPBCNYKMV-UGSOOPFHSA-N 0 1 335.448 2.334 10 30 EEEEMN CCN(CCNCc1ccc(C#N)cc1F)C(=O)c1cccc(=O)[nH]1 ZINC001568733244 1124747211 /nfs/dbraw/zinc/74/72/11/1124747211.db2.gz ZMXVJIPQIPFAQU-UHFFFAOYSA-N 0 1 342.374 2.050 10 30 EEEEMN C[C@@H]1C[C@@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CCO1 ZINC000371542944 238267433 /nfs/dbraw/zinc/26/74/33/238267433.db2.gz MIJKPAYLDNWCFF-AEFFLSMTSA-N 0 1 341.455 2.476 10 30 EEEEMN CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000447945385 242343721 /nfs/dbraw/zinc/34/37/21/242343721.db2.gz WGEDZXZKIJXPAG-HNNXBMFYSA-N 0 1 339.436 2.096 10 30 EEEEMN C=CC[N@H+]1C[C@H]2CN(C(=O)Cc3ccccc3)CCC[C@@]2(C(=O)[O-])C1 ZINC000248154006 257662740 /nfs/dbraw/zinc/66/27/40/257662740.db2.gz HSSFOCFFMRQQGB-FXAWDEMLSA-N 0 1 342.439 2.040 10 30 EEEEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000123346625 292280377 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O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329046222 465215647 /nfs/dbraw/zinc/21/56/47/465215647.db2.gz PXJLGQFPIJACCL-BFVZDQMLSA-N 0 1 346.353 2.350 10 30 EEEEMN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329046222 465215655 /nfs/dbraw/zinc/21/56/55/465215655.db2.gz PXJLGQFPIJACCL-BFVZDQMLSA-N 0 1 346.353 2.350 10 30 EEEEMN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCCN1C ZINC000329166355 465254607 /nfs/dbraw/zinc/25/46/07/465254607.db2.gz HSBLTSTYTDXLHW-BMGDILEWSA-N 0 1 345.491 2.386 10 30 EEEEMN CC(C)N1C(=O)N[C@]2(CCN([C@@H](C)c3ccc(C#N)cc3)C2)C1=O ZINC000084597292 463615039 /nfs/dbraw/zinc/61/50/39/463615039.db2.gz CFYZZHAAPHJWFT-UGSOOPFHSA-N 0 1 326.400 2.024 10 30 EEEEMN CCN(CCC#N)C(=O)CN1CCC[C@@H]1Cc1ccccc1OC ZINC000058976864 463636825 /nfs/dbraw/zinc/63/68/25/463636825.db2.gz KCCGNLHCRAISRV-QGZVFWFLSA-N 0 1 329.444 2.464 10 30 EEEEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1F ZINC000171619008 463892659 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EEEEMN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001684250322 1358253480 /nfs/dbraw/zinc/25/34/80/1358253480.db2.gz ZMWQHHJQQZEHFV-YHZMMZGRSA-N 0 1 344.459 2.127 10 30 EEEEMN C=CCC(C)(C)C(=O)NCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001685849751 1358346564 /nfs/dbraw/zinc/34/65/64/1358346564.db2.gz WCXZTBRVSIDLON-ZACQAIPSSA-N 0 1 349.519 2.284 10 30 EEEEMN C=CCCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CN1CCCC1)CC2 ZINC001685924764 1358350615 /nfs/dbraw/zinc/35/06/15/1358350615.db2.gz WNMKJSHOIFVKBA-YLJYHZDGSA-N 0 1 347.503 2.326 10 30 EEEEMN C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)c2ccn[nH]2)C3)C1 ZINC001686329939 1358380563 /nfs/dbraw/zinc/38/05/63/1358380563.db2.gz OENJSSANSCUAFJ-LIRRHRJNSA-N 0 1 342.443 2.125 10 30 EEEEMN C=C(C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC001688023842 1358732800 /nfs/dbraw/zinc/73/28/00/1358732800.db2.gz TUZPDSPFWSLOGV-UHQDVWGKSA-N 0 1 344.459 2.195 10 30 EEEEMN 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C=CCN1CCC(F)(F)[C@H](CNC(=O)COc2ccsc2)C1 ZINC001699886653 1405552867 /nfs/dbraw/zinc/55/28/67/1405552867.db2.gz FZYKMMFFIOHJTB-GFCCVEGCSA-N 0 1 330.400 2.386 10 30 EEEEMN C#CCN1CCC(NC(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000920576057 770757824 /nfs/dbraw/zinc/75/78/24/770757824.db2.gz JMTFJLVVXUSUJH-MRXNPFEDSA-N 0 1 329.444 2.159 10 30 EEEEMN C=C(Br)CN[C@H]1CN(C(=O)c2nccs2)C[C@@H]1C ZINC000939385933 776404453 /nfs/dbraw/zinc/40/44/53/776404453.db2.gz MIFTXHGIMARYGD-WPRPVWTQSA-N 0 1 330.251 2.102 10 30 EEEEMN CC#CCN1CC[C@H](NC(=O)c2cc(C)nnc2CC)C(C)(C)C1 ZINC000940846819 779406677 /nfs/dbraw/zinc/40/66/77/779406677.db2.gz IUIVICMTPXBIGP-KRWDZBQOSA-N 0 1 328.460 2.201 10 30 EEEEMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C(C)(C)C1 ZINC000941082187 779831934 /nfs/dbraw/zinc/83/19/34/779831934.db2.gz XFGUBOPFPMEHFX-HNNXBMFYSA-N 0 1 344.459 2.466 10 30 EEEEMN C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C(C)(C)C1 ZINC000941082187 779831939 /nfs/dbraw/zinc/83/19/39/779831939.db2.gz 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EEEEMN COC(=O)c1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)c(C)o1 ZINC000844368120 789052589 /nfs/dbraw/zinc/05/25/89/789052589.db2.gz CJXIOVBMAXCVLP-INIZCTEOSA-N 0 1 328.368 2.412 10 30 EEEEMN C=CCCSCCNC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000923226752 789166411 /nfs/dbraw/zinc/16/64/11/789166411.db2.gz FQEBNPHIXRTMED-KBPBESRZSA-N 0 1 329.535 2.175 10 30 EEEEMN Cc1nsc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000844782383 789371654 /nfs/dbraw/zinc/37/16/54/789371654.db2.gz SSZAYTRLSBQYLW-UHFFFAOYSA-N 0 1 341.440 2.113 10 30 EEEEMN NC1=C(c2nc3ccccc3s2)C(=O)CN1N=Cc1ccncc1 ZINC000606347799 795508255 /nfs/dbraw/zinc/50/82/55/795508255.db2.gz PKZVJNSJZCKWGK-UHFFFAOYSA-N 0 1 335.392 2.237 10 30 EEEEMN C#CCN(CCO)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC001566037134 1125517610 /nfs/dbraw/zinc/51/76/10/1125517610.db2.gz FHRWYKZPEPLKFN-MRXNPFEDSA-N 0 1 346.496 2.159 10 30 EEEEMN CC#CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cccc(OCC)n1 ZINC001566121332 1125568087 /nfs/dbraw/zinc/56/80/87/1125568087.db2.gz 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CCOCCC(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC001267289213 1178690625 /nfs/dbraw/zinc/69/06/25/1178690625.db2.gz YRBIOFHUXNDBLT-HNNXBMFYSA-N 0 1 333.407 2.062 10 30 EEEEMN C#Cc1ccc(C(=O)N(C)CCNCC(=O)Nc2ccc(C)cc2)cc1 ZINC001267412528 1178975402 /nfs/dbraw/zinc/97/54/02/1178975402.db2.gz ZBBBBWALSWUQJJ-UHFFFAOYSA-N 0 1 349.434 2.277 10 30 EEEEMN C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(CC)cc1 ZINC001267405029 1178977608 /nfs/dbraw/zinc/97/76/08/1178977608.db2.gz GNVZNPSNKBCODA-AHRSYUTCSA-N 0 1 340.467 2.463 10 30 EEEEMN CC(C)[C@H](CNC(=O)C#CC(C)(C)C)NC(=O)CN1CCC(C)CC1 ZINC001746807905 1179243621 /nfs/dbraw/zinc/24/36/21/1179243621.db2.gz RHSRWOJEYLJLCS-KRWDZBQOSA-N 0 1 349.519 2.025 10 30 EEEEMN C=C[C@@H](CC)CC(=O)NCCN(C)C(=O)c1[nH]nc2ccccc21 ZINC001745225228 1179303611 /nfs/dbraw/zinc/30/36/11/1179303611.db2.gz GRYHCUCZHLWMDY-ZDUSSCGKSA-N 0 1 328.416 2.353 10 30 EEEEMN C=C(C)[C@@H](CC(=O)N1CC[C@@H](CN(C)Cc2cncn2C)C1)OCC ZINC001267585492 1179546571 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C=CC(C)(C)C(=O)N[C@H]1CCN(CC(=O)NC(C)C)CC(C)(C)C1 ZINC001691819533 1184848198 /nfs/dbraw/zinc/84/81/98/1184848198.db2.gz VOWGUROHMUKXFC-HNNXBMFYSA-N 0 1 337.508 2.330 10 30 EEEEMN CC(C)(C)C#CC(=O)NC1(C)CCN(CCO[C@H]2CC2(F)F)CC1 ZINC001270232115 1184944672 /nfs/dbraw/zinc/94/46/72/1184944672.db2.gz STKHAXLPVKYKRS-AWEZNQCLSA-N 0 1 342.430 2.431 10 30 EEEEMN C#CCCCC(=O)N(C)[C@H](C)CNCC(=O)Nc1ccc(C)cc1C ZINC001482276218 1184977243 /nfs/dbraw/zinc/97/72/43/1184977243.db2.gz RHIHTKIAYRDSED-QGZVFWFLSA-N 0 1 343.471 2.482 10 30 EEEEMN C#CCN(C(=O)[C@H](C)C#N)C1CCN(Cc2ccc(F)cc2)CC1 ZINC001270296130 1184994000 /nfs/dbraw/zinc/99/40/00/1184994000.db2.gz KCGFIJXXXAMBSL-OAHLLOKOSA-N 0 1 327.403 2.412 10 30 EEEEMN C#CCN(C(=O)C1CC(C)C1)C1CCN([C@@H](C)c2n[nH]c(C)n2)CC1 ZINC001270301777 1185000054 /nfs/dbraw/zinc/00/00/54/1185000054.db2.gz KWUFLZFHTSACTA-BBBYJDLNSA-N 0 1 343.475 2.146 10 30 EEEEMN C#CCN(C(=O)CC1(C)CC1)C1CCN([C@@H](C)c2n[nH]c(C)n2)CC1 ZINC001270325891 1185018836 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/nfs/dbraw/zinc/70/85/73/1183708573.db2.gz UPRJHCDAVOAUKA-UHFFFAOYSA-N 0 1 336.439 2.290 10 30 EEEEMN C=CCOCCN1CC[C@H](NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001269041849 1183915435 /nfs/dbraw/zinc/91/54/35/1183915435.db2.gz BEJDBUZQIXOVSW-INIZCTEOSA-N 0 1 343.402 2.381 10 30 EEEEMN C=CCOCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001269254702 1184107145 /nfs/dbraw/zinc/10/71/45/1184107145.db2.gz DSEMJQWEPRYEMI-IEBWSBKVSA-N 0 1 328.456 2.500 10 30 EEEEMN C=CC1(CC(=O)N(C)[C@@H]2CCN([C@H]3CCCNC3=O)C2)CCCCC1 ZINC001269280129 1184132757 /nfs/dbraw/zinc/13/27/57/1184132757.db2.gz IFMVKWVXEUAOQY-SJORKVTESA-N 0 1 347.503 2.324 10 30 EEEEMN C=CC(C)(C)C(=O)NCC1(NCc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001482226200 1184336301 /nfs/dbraw/zinc/33/63/01/1184336301.db2.gz FDBVPYYTGQTWLM-UHFFFAOYSA-N 0 1 349.435 2.059 10 30 EEEEMN C#CCCCC(=O)N1CCC[C@H](CCN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001269724017 1184556432 /nfs/dbraw/zinc/55/64/32/1184556432.db2.gz SIZJLCOFHUWSPE-HZPDHXFCSA-N 0 1 345.491 2.450 10 30 EEEEMN C=C1CCC(C(=O)NCc2ccc(CN[C@@H](C)C(N)=O)cc2)CC1 ZINC001270076095 1184827618 /nfs/dbraw/zinc/82/76/18/1184827618.db2.gz OSOBZJYGFFJKOU-AWEZNQCLSA-N 0 1 329.444 2.013 10 30 EEEEMN CC(C)C#CC(=O)NC1(C)CCN(C[C@H](O)c2ccccc2F)CC1 ZINC001270226283 1184938450 /nfs/dbraw/zinc/93/84/50/1184938450.db2.gz XMFQJKCCVZYXJU-SFHVURJKSA-N 0 1 346.446 2.489 10 30 EEEEMN C#CCCCC(=O)N1CCC2(CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001270328305 1185021176 /nfs/dbraw/zinc/02/11/76/1185021176.db2.gz AOZFGBIZVKGRSU-UHFFFAOYSA-N 0 1 328.460 2.038 10 30 EEEEMN C#CCN(C(=O)[C@@H](CCC)OC)C1CCN(Cc2ocnc2C)CC1 ZINC001270331876 1185024025 /nfs/dbraw/zinc/02/40/25/1185024025.db2.gz OKUDPHPPNIFAKW-QGZVFWFLSA-N 0 1 347.459 2.224 10 30 EEEEMN C=CCNC(=O)CNC[C@@H](NC(=O)CC)c1ccc2ccccc2c1 ZINC001270368716 1185052658 /nfs/dbraw/zinc/05/26/58/1185052658.db2.gz IBMPMPDJLZGVHF-GOSISDBHSA-N 0 1 339.439 2.299 10 30 EEEEMN COCC1(CC(=O)N(C)[C@@H](C)CNCc2cc(F)ccc2C#N)CC1 ZINC001482284333 1185062801 /nfs/dbraw/zinc/06/28/01/1185062801.db2.gz NECFZOWRKZMLCU-AWEZNQCLSA-N 0 1 347.434 2.451 10 30 EEEEMN C=CCNC(=O)CN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001270513442 1185138213 /nfs/dbraw/zinc/13/82/13/1185138213.db2.gz PTJRKYPDBGGTQA-FXAWDEMLSA-N 0 1 349.519 2.285 10 30 EEEEMN C#CCCCCCC(=O)N[C@]1(C)CCN([C@H](C)C(=O)N(C)C(C)C)C1 ZINC001270616852 1185208137 /nfs/dbraw/zinc/20/81/37/1185208137.db2.gz ZKSWVQYJPGJRRK-YLJYHZDGSA-N 0 1 349.519 2.406 10 30 EEEEMN C=CCC(C)(C)C(=O)NC[C@@H]1CN(CCC2CCOCC2)CCO1 ZINC001270683750 1185313898 /nfs/dbraw/zinc/31/38/98/1185313898.db2.gz YWCPZFBQWLARPA-QGZVFWFLSA-N 0 1 338.492 2.222 10 30 EEEEMN Cc1nccc(C(=O)N(C)[C@@H](C)CNCc2cc(F)ccc2C#N)n1 ZINC001482367058 1185526666 /nfs/dbraw/zinc/52/66/66/1185526666.db2.gz XPSZUFKGFMMVMH-LBPRGKRZSA-N 0 1 341.390 2.046 10 30 EEEEMN C=CCCC(=O)NCC1(C)CCN(CC(=O)N2CCC[C@H](C)C2)CC1 ZINC001270867521 1185547262 /nfs/dbraw/zinc/54/72/62/1185547262.db2.gz WHWSOBZGMGUDJH-KRWDZBQOSA-N 0 1 349.519 2.429 10 30 EEEEMN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2nnnn2CCC)[C@H](C)C1 ZINC001482422245 1185666547 /nfs/dbraw/zinc/66/65/47/1185666547.db2.gz IWUBPCBIYPNXMI-HUUCEWRRSA-N 0 1 348.495 2.012 10 30 EEEEMN C[C@@]1(CNC(=O)C#CC2CC2)CCCN(CCOCC(F)(F)F)C1 ZINC001270958990 1185773855 /nfs/dbraw/zinc/77/38/55/1185773855.db2.gz RWDYFIOMIASXIN-INIZCTEOSA-N 0 1 346.393 2.197 10 30 EEEEMN COCC#CCN1CCC[C@](C)(CNC(=O)C(C)(C)C(F)(F)F)C1 ZINC001271008103 1185806712 /nfs/dbraw/zinc/80/67/12/1185806712.db2.gz UOLUVVSYBBOWKQ-MRXNPFEDSA-N 0 1 348.409 2.443 10 30 EEEEMN C=CCOCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001271093628 1185880269 /nfs/dbraw/zinc/88/02/69/1185880269.db2.gz PYKURQMNGIGYNM-KBPBESRZSA-N 0 1 330.419 2.309 10 30 EEEEMN C=CCOCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H](F)C(C)C)C1 ZINC001271099830 1185886310 /nfs/dbraw/zinc/88/63/10/1185886310.db2.gz GDRMVBJCQIYHJK-KBPBESRZSA-N 0 1 336.398 2.257 10 30 EEEEMN C=CCOCCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001271102382 1185886996 /nfs/dbraw/zinc/88/69/96/1185886996.db2.gz ZPSNXARUTLNQKB-HUUCEWRRSA-N 0 1 342.430 2.453 10 30 EEEEMN C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC1CCCC1)C2 ZINC001271415233 1186200876 /nfs/dbraw/zinc/20/08/76/1186200876.db2.gz OXHQOUOGMFTZTM-JQHSSLGASA-N 0 1 347.503 2.371 10 30 EEEEMN C=C1CCC(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC(=O)N(C)CC)CC1 ZINC001272033239 1187098130 /nfs/dbraw/zinc/09/81/30/1187098130.db2.gz IBZXCXVWSAZNJO-ROUUACIJSA-N 0 1 347.503 2.276 10 30 EEEEMN C=C(C)C(C)(C)C(=O)NCC1(N[C@@H](C)C(=O)NCc2ccco2)CC1 ZINC001670833255 1187408430 /nfs/dbraw/zinc/40/84/30/1187408430.db2.gz SNMSCIKTVCZQSG-AWEZNQCLSA-N 0 1 347.459 2.125 10 30 EEEEMN C=CCCCC(=O)NCC1(NCC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC001670845593 1187438830 /nfs/dbraw/zinc/43/88/30/1187438830.db2.gz IICRKBSVSQQETM-IYBDPMFKSA-N 0 1 335.492 2.371 10 30 EEEEMN C=CCC1(C(=O)N[C@H](CC)CNC(=O)c2[nH]nc(C)c2C)CCC1 ZINC001746123175 1187518939 /nfs/dbraw/zinc/51/89/39/1187518939.db2.gz QKMIGZITVHPOAP-CQSZACIVSA-N 0 1 332.448 2.398 10 30 EEEEMN C=CCOCCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCCF)C1 ZINC001279170875 1193512888 /nfs/dbraw/zinc/51/28/88/1193512888.db2.gz FWIJIGRONSWFIC-STQMWFEESA-N 0 1 340.361 2.308 10 30 EEEEMN C=CC(C)(C)CC(=O)N1CCN(C(=O)c2cnccc2N(C)C)CC1 ZINC001719988335 1187771441 /nfs/dbraw/zinc/77/14/41/1187771441.db2.gz IGECQMIUUNVHFG-UHFFFAOYSA-N 0 1 344.459 2.034 10 30 EEEEMN CCN(CCNCc1ccccc1C#N)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001482940454 1187864524 /nfs/dbraw/zinc/86/45/24/1187864524.db2.gz UOIQNUAFHJDLLH-GBESFXJTSA-N 0 1 341.455 2.311 10 30 EEEEMN CCN(CCNCc1ccccc1C#N)C(=O)Cc1cncc(C)c1 ZINC001482942587 1187867414 /nfs/dbraw/zinc/86/74/14/1187867414.db2.gz ZKPHEYATOBSTHM-UHFFFAOYSA-N 0 1 336.439 2.443 10 30 EEEEMN COCC#CCN(C)CCN(C)C(=O)[C@]1(C)CCCc2ccccc21 ZINC001272131836 1187942839 /nfs/dbraw/zinc/94/28/39/1187942839.db2.gz NXPKDTOSJHZTLK-OAQYLSRUSA-N 0 1 342.483 2.321 10 30 EEEEMN C=C(C)[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)OC)OCC ZINC001671014692 1193545082 /nfs/dbraw/zinc/54/50/82/1193545082.db2.gz FTEBMGXMZSQYNO-WNRNVDISSA-N 0 1 338.492 2.458 10 30 EEEEMN C=C(Br)CNCCN(C)C(=O)c1cnn(C(C)C)c1 ZINC001691553123 1188256446 /nfs/dbraw/zinc/25/64/46/1188256446.db2.gz KZLXTTIKYIHJLV-UHFFFAOYSA-N 0 1 329.242 2.034 10 30 EEEEMN C=CCOCC(=O)NC[C@H]1CC[C@@H](NCc2nc3ccccc3o2)C1 ZINC001691571122 1188269152 /nfs/dbraw/zinc/26/91/52/1188269152.db2.gz FUNZFXKPRIXYIN-LSDHHAIUSA-N 0 1 343.427 2.405 10 30 EEEEMN COCc1nc(CN[C@@H]2CC[C@H](CNC(=O)C#CC(C)C)C2)cs1 ZINC001691583454 1188282586 /nfs/dbraw/zinc/28/25/86/1188282586.db2.gz SOSKWSMGAVYXQP-LSDHHAIUSA-N 0 1 349.500 2.323 10 30 EEEEMN Cc1nnsc1CN1CCC2(CCN(C(=O)C#CC(C)C)C2)CC1 ZINC001671050130 1193553984 /nfs/dbraw/zinc/55/39/84/1193553984.db2.gz KDVSMOHRNRODAL-UHFFFAOYSA-N 0 1 346.500 2.320 10 30 EEEEMN O=C(NC/C=C/CNCC#Cc1ccc(F)cc1)c1nccs1 ZINC001483078319 1188437630 /nfs/dbraw/zinc/43/76/30/1188437630.db2.gz PEBOPMBMACEORX-OWOJBTEDSA-N 0 1 329.400 2.210 10 30 EEEEMN C=C1CC(C)(C(=O)N[C@H](C)CNCC(=O)N2CCc3ccccc32)C1 ZINC001483166276 1188992133 /nfs/dbraw/zinc/99/21/33/1188992133.db2.gz MGYVNPPCAWIONT-OAHLLOKOSA-N 0 1 341.455 2.026 10 30 EEEEMN C=C(Br)CN[C@H](C)[C@@H](C)NC(=O)COc1ccccc1 ZINC001409435730 1189671837 /nfs/dbraw/zinc/67/18/37/1189671837.db2.gz QCURYUFFAVWVRF-CHWSQXEVSA-N 0 1 341.249 2.457 10 30 EEEEMN Cc1ccnc(CNC[C@H]2CCCC[C@@H]2NC(=O)C#CC(C)C)n1 ZINC001483433152 1190477328 /nfs/dbraw/zinc/47/73/28/1190477328.db2.gz DZYAARXQMGPRQA-SJORKVTESA-N 0 1 328.460 2.209 10 30 EEEEMN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNCc1nncn1C ZINC001483434834 1190477721 /nfs/dbraw/zinc/47/77/21/1190477721.db2.gz OBBIRKBJYXDWPS-HUUCEWRRSA-N 0 1 333.480 2.182 10 30 EEEEMN C[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CN1C(=O)CSCC#N ZINC001486101557 1193682792 /nfs/dbraw/zinc/68/27/92/1193682792.db2.gz PIBNSSMRXVSKQM-SWLSCSKDSA-N 0 1 346.431 2.033 10 30 EEEEMN N#Cc1ccc(F)c(CNC[C@@H](NC(=O)[C@H]2CCCCO2)C2CC2)c1 ZINC001483554881 1190545870 /nfs/dbraw/zinc/54/58/70/1190545870.db2.gz GIDPOWIGSVLPCR-QZTJIDSGSA-N 0 1 345.418 2.251 10 30 EEEEMN CC[C@@H]1CN(C(=O)C#CC(C)C)CC[C@@H]1NCc1nnc(C)s1 ZINC001483617911 1190593685 /nfs/dbraw/zinc/59/36/85/1190593685.db2.gz SGMFBJSVTCOEGQ-CABCVRRESA-N 0 1 334.489 2.223 10 30 EEEEMN C#CCCCCCC(=O)N1C[C@@H](NCc2cncc(OC)n2)C[C@H]1C ZINC001486120130 1193687314 /nfs/dbraw/zinc/68/73/14/1193687314.db2.gz ZLJIMPGAEIKDAB-CVEARBPZSA-N 0 1 344.459 2.148 10 30 EEEEMN C=C(Cl)CNC[C@@H](CCCC)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001409816693 1190647997 /nfs/dbraw/zinc/64/79/97/1190647997.db2.gz JYYXGULNYOVAIJ-HUUCEWRRSA-N 0 1 338.883 2.463 10 30 EEEEMN C=CCCC(=O)N[C@@]12CCC[C@H]1N(CC(=O)N(CC)CC(=C)C)CC2 ZINC001486140559 1193694074 /nfs/dbraw/zinc/69/40/74/1193694074.db2.gz QCRVVPAEKGGXDJ-YLJYHZDGSA-N 0 1 347.503 2.490 10 30 EEEEMN C=CCCC(=O)N[C@]12CCC[C@H]1N(Cc1c(C)nnn1CC)CC2 ZINC001486141999 1193694973 /nfs/dbraw/zinc/69/49/73/1193694973.db2.gz WCWJXFFPCNSADU-AEFFLSMTSA-N 0 1 331.464 2.186 10 30 EEEEMN 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ZINC001674100654 1356786055 /nfs/dbraw/zinc/78/60/55/1356786055.db2.gz NDGOAQFRKDSHQY-UHFFFAOYSA-N 0 1 337.489 2.189 10 30 EEEEMN C#CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001674463853 1356839956 /nfs/dbraw/zinc/83/99/56/1356839956.db2.gz UTKWSQNTXALOLA-WMZOPIPTSA-N 0 1 326.440 2.281 10 30 EEEEMN C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001674733719 1356886129 /nfs/dbraw/zinc/88/61/29/1356886129.db2.gz DIOQFLZTOPGGTJ-CHWSQXEVSA-N 0 1 328.416 2.398 10 30 EEEEMN CC(C)C#CC(=O)N[C@@H](C)C1CN(Cc2ccc3c(c2)COC3)C1 ZINC001675304666 1356961700 /nfs/dbraw/zinc/96/17/00/1356961700.db2.gz ANSLMPQLEYXFPB-HNNXBMFYSA-N 0 1 326.440 2.313 10 30 EEEEMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)CC3(COC)CC3)C2)C1 ZINC001675422743 1356977760 /nfs/dbraw/zinc/97/77/60/1356977760.db2.gz MOTNSKNLHSNCNY-IBGZPJMESA-N 0 1 336.476 2.073 10 30 EEEEMN C=CCCN1CCO[C@]2(CCN(C(=O)CC(F)(F)C(F)F)C2)C1 ZINC001675423407 1356978402 /nfs/dbraw/zinc/97/84/02/1356978402.db2.gz ZKZAKHCHRYDITO-CQSZACIVSA-N 0 1 338.345 2.156 10 30 EEEEMN C=CCCN1CCO[C@@]2(CCN(C(=O)CC(F)(F)C(F)F)C2)C1 ZINC001675423406 1356978654 /nfs/dbraw/zinc/97/86/54/1356978654.db2.gz ZKZAKHCHRYDITO-AWEZNQCLSA-N 0 1 338.345 2.156 10 30 EEEEMN CC#CCCCC(=O)N[C@H]1CN([C@H](C)c2n[nH]c(C)n2)CC1(C)C ZINC001675467344 1356988722 /nfs/dbraw/zinc/98/87/22/1356988722.db2.gz FAEGPCOLAZDZRK-HIFRSBDPSA-N 0 1 331.464 2.194 10 30 EEEEMN C=CCOc1ccc(CC(=O)NC[C@@H]2[C@H]3CN(CCF)C[C@H]32)cc1 ZINC001675564253 1357006483 /nfs/dbraw/zinc/00/64/83/1357006483.db2.gz OJXUQYGNZZIJPY-NNZMDNLPSA-N 0 1 332.419 2.057 10 30 EEEEMN C=CCCC(=O)N1CCO[C@H]([C@H](C)NCc2nc(C)sc2C)C1 ZINC001675571056 1357008435 /nfs/dbraw/zinc/00/84/35/1357008435.db2.gz XBYNNJDLJKRVSS-LRDDRELGSA-N 0 1 337.489 2.432 10 30 EEEEMN COCC#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001675687566 1357035361 /nfs/dbraw/zinc/03/53/61/1357035361.db2.gz BPJKGUJRMWRBJW-AHRSYUTCSA-N 0 1 334.504 2.489 10 30 EEEEMN C=CCOCC(=O)N[C@H]1C[C@H](CNCc2ncc(C(C)(C)C)o2)C1 ZINC001675722276 1357043314 /nfs/dbraw/zinc/04/33/14/1357043314.db2.gz MLFNUCNOHIHBBZ-HDJSIYSDSA-N 0 1 335.448 2.159 10 30 EEEEMN CCCn1ncnc1CNCCC[C@H](C)NC(=O)C#CC(C)(C)C ZINC001675898653 1357064990 /nfs/dbraw/zinc/06/49/90/1357064990.db2.gz NRZJFMHQNPHQFO-HNNXBMFYSA-N 0 1 333.480 2.112 10 30 EEEEMN C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001681518174 1358021538 /nfs/dbraw/zinc/02/15/38/1358021538.db2.gz APZURXFTOAFHIX-HZPDHXFCSA-N 0 1 346.475 2.299 10 30 EEEEMN C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001681518172 1358021772 /nfs/dbraw/zinc/02/17/72/1358021772.db2.gz APZURXFTOAFHIX-CVEARBPZSA-N 0 1 346.475 2.299 10 30 EEEEMN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC001681563707 1358031207 /nfs/dbraw/zinc/03/12/07/1358031207.db2.gz AIRNWDDWMGRYRK-SJORKVTESA-N 0 1 337.508 2.474 10 30 EEEEMN C=C(C)C[C@@H](C)C(=O)NCC1(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001681975550 1358105251 /nfs/dbraw/zinc/10/52/51/1358105251.db2.gz HOBDXKLAKIGKTG-GFCCVEGCSA-N 0 1 336.411 2.167 10 30 EEEEMN CC[C@H](NC(=O)NCC#CCN(C)C)c1cccc(OC)c1OC ZINC001684710838 1358277340 /nfs/dbraw/zinc/27/73/40/1358277340.db2.gz XYUWLGQEQRMMOP-HNNXBMFYSA-N 0 1 333.432 2.019 10 30 EEEEMN CC#CCCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1[nH]ncc1F ZINC001687660096 1358573899 /nfs/dbraw/zinc/57/38/99/1358573899.db2.gz OOMDTEBJEOPPJL-ZFWWWQNUSA-N 0 1 348.422 2.242 10 30 EEEEMN CCCc1cc(C(=O)N(CCCNC(=O)C#CC(C)C)C2CC2)n[nH]1 ZINC001687823782 1358633738 /nfs/dbraw/zinc/63/37/38/1358633738.db2.gz PPSVHGGLZRWWQY-UHFFFAOYSA-N 0 1 344.459 2.133 10 30 EEEEMN C=CCCC(=O)N(CCCNC(=O)c1[nH]nc2c1CCCC2)C1CC1 ZINC001687837255 1358640545 /nfs/dbraw/zinc/64/05/45/1358640545.db2.gz AQUCWAJCWXRPBR-UHFFFAOYSA-N 0 1 344.459 2.366 10 30 EEEEMN C#CCCCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001688069922 1358760874 /nfs/dbraw/zinc/76/08/74/1358760874.db2.gz UJQRMYZVBBUGAI-QZTJIDSGSA-N 0 1 347.503 2.019 10 30 EEEEMN C=C1CCC(C(=O)NC[C@@H](C)NC(=O)c2occc2CN(C)C)CC1 ZINC001688179303 1358827383 /nfs/dbraw/zinc/82/73/83/1358827383.db2.gz KSZVRLVCZISZNB-CQSZACIVSA-N 0 1 347.459 2.322 10 30 EEEEMN C=CCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001688211238 1358846577 /nfs/dbraw/zinc/84/65/77/1358846577.db2.gz WZGGHEZUCLUKKN-RBSFLKMASA-N 0 1 344.459 2.080 10 30 EEEEMN C=C(C)C(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001688359851 1358930288 /nfs/dbraw/zinc/93/02/88/1358930288.db2.gz HVTLHNPDOLTXGL-CYBMUJFWSA-N 0 1 332.448 2.007 10 30 EEEEMN C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)c1cccc2nc[nH]c21 ZINC001688368218 1358933667 /nfs/dbraw/zinc/93/36/67/1358933667.db2.gz JJJWESWKMDBDNG-UHFFFAOYSA-N 0 1 328.416 2.353 10 30 EEEEMN C=CC1(CC(=O)N2CCC[C@H]2CNC(=O)c2ncn[nH]2)CCCCC1 ZINC001688449715 1358967394 /nfs/dbraw/zinc/96/73/94/1358967394.db2.gz RLQWFKFNKIGSJT-AWEZNQCLSA-N 0 1 345.447 2.052 10 30 EEEEMN C=CC1(CC(=O)N2CCC[C@H]2CNC(=O)c2nc[nH]n2)CCCCC1 ZINC001688449715 1358967398 /nfs/dbraw/zinc/96/73/98/1358967398.db2.gz RLQWFKFNKIGSJT-AWEZNQCLSA-N 0 1 345.447 2.052 10 30 EEEEMN C#Cc1ccc(C(=O)NC[C@@H](C)NCc2ccncc2Cl)cn1 ZINC001690639656 1404931752 /nfs/dbraw/zinc/93/17/52/1404931752.db2.gz CFWDDBQNWVCDDG-GFCCVEGCSA-N 0 1 328.803 2.019 10 30 EEEEMN C=CCNC(=O)CNCc1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1 ZINC001698717810 1405022743 /nfs/dbraw/zinc/02/27/43/1405022743.db2.gz YXTGBZAMHQLXIT-KRWDZBQOSA-N 0 1 343.471 2.131 10 30 EEEEMN C=CCOCC(=O)N[C@@H]1CCC[C@@H]1CNCc1noc2c1CCCC2 ZINC001699019673 1405235300 /nfs/dbraw/zinc/23/53/00/1405235300.db2.gz ZYBMUESFWATXAE-GDBMZVCRSA-N 0 1 347.459 2.131 10 30 EEEEMN C[C@H](NC[C@H](NC(=O)C#CC1CC1)C1CCCC1)c1cnccn1 ZINC001699791455 1405488179 /nfs/dbraw/zinc/48/81/79/1405488179.db2.gz VJYUKZYGYWCCTL-KSSFIOAISA-N 0 1 326.444 2.216 10 30 EEEEMN C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC001699814542 1405503881 /nfs/dbraw/zinc/50/38/81/1405503881.db2.gz ROYNBBOZKJCITK-WFASDCNBSA-N 0 1 336.398 2.483 10 30 EEEEMN C=CCN(CC=C)C(=O)CN1CCC[C@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001699872770 1405539406 /nfs/dbraw/zinc/53/94/06/1405539406.db2.gz FGKJDKRRKQDWDN-ABSDTBQOSA-N 0 1 347.503 2.061 10 30 EEEEMN C=CCCCC(=O)N1CCC[C@H](C2CCN([C@H](C)C(N)=O)CC2)C1 ZINC001699931986 1405582288 /nfs/dbraw/zinc/58/22/88/1405582288.db2.gz GSBRWEAQNCYKRB-WBVHZDCISA-N 0 1 335.492 2.167 10 30 EEEEMN C=C1CCC(C(=O)N2C[C@H](NCc3cncc(OC)n3)[C@@H](C)C2)CC1 ZINC000939058922 775332522 /nfs/dbraw/zinc/33/25/22/775332522.db2.gz OAUWPTJKOWSQBY-YOEHRIQHSA-N 0 1 344.459 2.168 10 30 EEEEMN C=C1CCC(C(=O)N2C[C@@H](C)[C@@H](NCc3cc(C)ncn3)C2)CC1 ZINC000939059731 775335910 /nfs/dbraw/zinc/33/59/10/775335910.db2.gz URWNSLMYQCSNSA-KDOFPFPSSA-N 0 1 328.460 2.468 10 30 EEEEMN C#Cc1ccc(C(=O)N2CCC(C)(NCc3nnc(C)o3)CC2)cc1 ZINC000940244483 778332094 /nfs/dbraw/zinc/33/20/94/778332094.db2.gz OPORWPFTPQYJHA-UHFFFAOYSA-N 0 1 338.411 2.144 10 30 EEEEMN C#CCN1CC[C@@H](NC(=O)c2cn(-c3ccccc3)cn2)C(C)(C)C1 ZINC000940763635 779239724 /nfs/dbraw/zinc/23/97/24/779239724.db2.gz HTCLXGHFGPVBLS-GOSISDBHSA-N 0 1 336.439 2.336 10 30 EEEEMN C#CCN1CC[C@@H](NC(=O)Cc2ccc(OC)c(F)c2)C(C)(C)C1 ZINC000940873368 779476717 /nfs/dbraw/zinc/47/67/17/779476717.db2.gz LPSLHOZZLZPLGJ-QGZVFWFLSA-N 0 1 332.419 2.227 10 30 EEEEMN C#CCN1CC[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C(C)(C)C1 ZINC000940937651 779534820 /nfs/dbraw/zinc/53/48/20/779534820.db2.gz CUCIDVBWRDGASI-ZWKOTPCHSA-N 0 1 326.440 2.150 10 30 EEEEMN C=CCn1cc(C(=O)N[C@H]2CCN(C/C=C\Cl)CC2(C)C)nn1 ZINC000941084676 779836789 /nfs/dbraw/zinc/83/67/89/779836789.db2.gz DYLBBFGPMTUVBW-VSKVDJIOSA-N 0 1 337.855 2.047 10 30 EEEEMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C(C)(C)C1 ZINC000941232498 780160005 /nfs/dbraw/zinc/16/00/05/780160005.db2.gz IVULXNNTUNIBHJ-DLBZAZTESA-N 0 1 347.503 2.018 10 30 EEEEMN C#CCN1CC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C(C)(C)C1 ZINC000941223496 780181382 /nfs/dbraw/zinc/18/13/82/780181382.db2.gz GHSAZBKHGTVNEV-CQSZACIVSA-N 0 1 336.867 2.003 10 30 EEEEMN C=CCCN1CC(N2CCN(C(=O)C3(C)C(C)(C)C3(C)C)CC2)C1 ZINC000941685091 780919371 /nfs/dbraw/zinc/91/93/71/780919371.db2.gz RENFWVPPDCEWAO-UHFFFAOYSA-N 0 1 333.520 2.463 10 30 EEEEMN C#CCCN(CC(F)(F)F)C(=O)c1cccc2[nH]c(CO)nc21 ZINC000907424754 784620443 /nfs/dbraw/zinc/62/04/43/784620443.db2.gz FRHMHJFAGNDLOO-UHFFFAOYSA-N 0 1 325.290 2.083 10 30 EEEEMN Cc1cc(C#N)cc(C)c1CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000907586892 784740522 /nfs/dbraw/zinc/74/05/22/784740522.db2.gz AYHKMUCASGNAIF-MRXNPFEDSA-N 0 1 343.471 2.021 10 30 EEEEMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000907586892 784740531 /nfs/dbraw/zinc/74/05/31/784740531.db2.gz AYHKMUCASGNAIF-MRXNPFEDSA-N 0 1 343.471 2.021 10 30 EEEEMN C=C(C)C[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000908991051 785921134 /nfs/dbraw/zinc/92/11/34/785921134.db2.gz WNTJBPZHUBRESF-GDBMZVCRSA-N 0 1 333.432 2.226 10 30 EEEEMN C=C(Cl)C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)[O-] ZINC000909081354 785984000 /nfs/dbraw/zinc/98/40/00/785984000.db2.gz MYWFXXUBMWXPTG-JSGCOSHPSA-N 0 1 343.855 2.288 10 30 EEEEMN C#CCN1CCC(NC(=O)NCCc2cccc(OCCC)c2)CC1 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1121304457 /nfs/dbraw/zinc/30/44/57/1121304457.db2.gz FSQZNQCTEPBOPW-SFHVURJKSA-N 0 1 343.431 2.139 10 30 EEEEMN C=C[C@@H](C)[C@H](C)C(=O)N1CC(NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001530448903 1121954286 /nfs/dbraw/zinc/95/42/86/1121954286.db2.gz QOQXFGUPHZAHJT-OLZOCXBDSA-N 0 1 344.459 2.077 10 30 EEEEMN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001533088461 1123070625 /nfs/dbraw/zinc/07/06/25/1123070625.db2.gz ZKUMSYWGHWDHGJ-ZBFHGGJFSA-N 0 1 344.459 2.129 10 30 EEEEMN C#CCCCCC(=O)NC[C@H]1CCN1C(=O)c1cccc2c[nH]nc21 ZINC001534767860 1123407047 /nfs/dbraw/zinc/40/70/47/1123407047.db2.gz HICFYDILXIEJPT-OAHLLOKOSA-N 0 1 338.411 2.087 10 30 EEEEMN C=C1CCC(C(=O)NC[C@@]2(C)CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001537013606 1123905789 /nfs/dbraw/zinc/90/57/89/1123905789.db2.gz AJCOHIODIOVBSD-HXUWFJFHSA-N 0 1 347.503 2.183 10 30 EEEEMN CC#CCCCC(=O)N1CC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001537063270 1123928159 /nfs/dbraw/zinc/92/81/59/1123928159.db2.gz PWBROHWYRVXXGQ-PXNSSMCTSA-N 0 1 347.503 2.019 10 30 EEEEMN C#CCN(CC)c1nnc([C@@H](C)CC)n1C[C@@H](C)CN1CCOCC1 ZINC001539344257 1124053809 /nfs/dbraw/zinc/05/38/09/1124053809.db2.gz YWCPBRLNIYRUSU-IRXDYDNUSA-N 0 1 347.507 2.219 10 30 EEEEMN C#CCCCC(=O)N(C)[C@H]1CCN(CCOc2ccccc2OC)C1 ZINC001567911818 1124174060 /nfs/dbraw/zinc/17/40/60/1124174060.db2.gz RHLOVZXIVPMGRW-KRWDZBQOSA-N 0 1 344.455 2.410 10 30 EEEEMN COCC#CCN1CC[C@@H](N(C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001567917796 1124178352 /nfs/dbraw/zinc/17/83/52/1124178352.db2.gz VJAQDLUANQICLS-MRXNPFEDSA-N 0 1 339.439 2.272 10 30 EEEEMN C=CCCOCC(=O)N(C)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001567928821 1124186427 /nfs/dbraw/zinc/18/64/27/1124186427.db2.gz QDWLXZXRCNEQGE-QGZVFWFLSA-N 0 1 334.435 2.494 10 30 EEEEMN C=CCCOCC(=O)N(C)[C@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC001567928262 1124186948 /nfs/dbraw/zinc/18/69/48/1124186948.db2.gz FOORRWZMRMXCLO-KRWDZBQOSA-N 0 1 332.444 2.321 10 30 EEEEMN C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C)(O)CC3)n[nH]2)c1C ZINC001545624996 1124199816 /nfs/dbraw/zinc/19/98/16/1124199816.db2.gz ISRPSBDOGZBULJ-UHFFFAOYSA-N 0 1 343.431 2.063 10 30 EEEEMN C#CCCCC(=O)N[C@](C)(CNCc1cc2n(n1)CCC2)C1CC1 ZINC001568019188 1124233165 /nfs/dbraw/zinc/23/31/65/1124233165.db2.gz VYCVRXOBSNAVFC-LJQANCHMSA-N 0 1 328.460 2.007 10 30 EEEEMN CC#CCCCC(=O)N[C@@](C)(CNCc1cc2n(n1)CCC2)C1CC1 ZINC001568026509 1124237106 /nfs/dbraw/zinc/23/71/06/1124237106.db2.gz SUESVWJSFCXFEP-FQEVSTJZSA-N 0 1 342.487 2.397 10 30 EEEEMN C=C1CC(C)(C(=O)N2CCC3(CN([C@H](CCCC)C(N)=O)C3)CC2)C1 ZINC001568251640 1124387442 /nfs/dbraw/zinc/38/74/42/1124387442.db2.gz WLYPVSLKELWCGH-MRXNPFEDSA-N 0 1 347.503 2.311 10 30 EEEEMN C=CCC1(C(=O)NC[C@@H](O)CN[C@H](C)c2cnc(C)cn2)CCCC1 ZINC001568595983 1124623423 /nfs/dbraw/zinc/62/34/23/1124623423.db2.gz OKYAZRNIAGEGGT-CVEARBPZSA-N 0 1 346.475 2.049 10 30 EEEEMN C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H]3C[C@@H](OC)C3)n[nH]2)c1C ZINC001568813538 1124832325 /nfs/dbraw/zinc/83/23/25/1124832325.db2.gz OWXQTRRIALXJML-OKILXGFUSA-N 0 1 343.431 2.325 10 30 EEEEMN COc1ccc(C#N)cc1CNC/C=C\CNC(=O)[C@H](C)SC ZINC001568819843 1124838631 /nfs/dbraw/zinc/83/86/31/1124838631.db2.gz RCNSNVIBOHRKDS-ZFDPJTLLSA-N 0 1 333.457 2.080 10 30 EEEEMN CCCOCC(=O)NC/C=C/CNCC#Cc1cccc(Cl)c1 ZINC001568823705 1124842241 /nfs/dbraw/zinc/84/22/41/1124842241.db2.gz PVFJTCADEFHANN-ONEGZZNKSA-N 0 1 334.847 2.380 10 30 EEEEMN CO[C@@H](C(=O)NC/C=C\CNCC#Cc1ccc(Cl)cc1)C1CC1 ZINC001568843977 1124863994 /nfs/dbraw/zinc/86/39/94/1124863994.db2.gz WVCNTLWFQHLGCI-LHRDXKRPSA-N 0 1 346.858 2.379 10 30 EEEEMN C=C(Cl)CNC/C=C/CNC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001568857293 1124879666 /nfs/dbraw/zinc/87/96/66/1124879666.db2.gz SYLUFQSLUPUFRS-ONEGZZNKSA-N 0 1 336.745 2.067 10 30 EEEEMN C[C@@H]1CO[C@H](C(=O)NC/C=C\CNCC#Cc2cccc(Cl)c2)C1 ZINC001568892405 1124920372 /nfs/dbraw/zinc/92/03/72/1124920372.db2.gz YVTMEMXSVRVGDF-BVBZKVNYSA-N 0 1 346.858 2.379 10 30 EEEEMN N#Cc1ccc(CNC/C=C/CNC(=O)CCn2cccc2)c(F)c1 ZINC001568938921 1124971077 /nfs/dbraw/zinc/97/10/77/1124971077.db2.gz GLGADMQUXUVVDP-OWOJBTEDSA-N 0 1 340.402 2.351 10 30 EEEEMN C=C(Br)CNC/C=C\CNC(=O)[C@@H]1CCO[C@H](CC)C1 ZINC001568947659 1124980575 /nfs/dbraw/zinc/98/05/75/1124980575.db2.gz IVNIUSBEEYDGKZ-UUSXEQNQSA-N 0 1 345.281 2.362 10 30 EEEEMN C=CCC1(C(=O)N(C)CCCN[C@H](C)c2nnnn2C)CCCCC1 ZINC001569268535 1125207254 /nfs/dbraw/zinc/20/72/54/1125207254.db2.gz FACKEOFJLMOLLF-OAHLLOKOSA-N 0 1 348.495 2.236 10 30 EEEEMN O=C(NCc1cccc(-n2ccnc2)c1)N1CCN2CCCC[C@H]2C1 ZINC000329464028 539774903 /nfs/dbraw/zinc/77/49/03/539774903.db2.gz QXFCUSZJBQWLLQ-SFHVURJKSA-N 0 1 339.443 2.456 10 30 EEEEMN CC[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000420716707 239915435 /nfs/dbraw/zinc/91/54/35/239915435.db2.gz CGYNNTMWNZQMGV-WDEREUQCSA-N 0 1 330.356 2.072 10 30 EEEEMN O[C@@H]([C@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1)C(F)(F)F ZINC000451896980 243298484 /nfs/dbraw/zinc/29/84/84/243298484.db2.gz VMSLFAFMGBJOFD-YUMQZZPRSA-N 0 1 345.230 2.446 10 30 EEEEMN CN1CCN(c2ccnc(-c3noc(-c4ccc(C#N)cc4)n3)c2)CC1 ZINC000273781048 256326280 /nfs/dbraw/zinc/32/62/80/256326280.db2.gz GOOMXJUUWYRVAS-UHFFFAOYSA-N 0 1 346.394 2.422 10 30 EEEEMN CC(C)N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000123346849 292280486 /nfs/dbraw/zinc/28/04/86/292280486.db2.gz OAAXRFARKFZGRV-FZMZJTMJSA-N 0 1 341.864 2.219 10 30 EEEEMN N#Cc1ccc2ncc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)n2c1 ZINC000093134056 159231176 /nfs/dbraw/zinc/23/11/76/159231176.db2.gz NYWCHQQNKMJBKD-OAHLLOKOSA-N 0 1 347.426 2.123 10 30 EEEEMN C[C@H]1CN(C2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CCO1 ZINC000193668337 160185477 /nfs/dbraw/zinc/18/54/77/160185477.db2.gz QDJDYITZKMOCIS-MOEXGYKKSA-N 0 1 339.439 2.283 10 30 EEEEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000246196921 160266983 /nfs/dbraw/zinc/26/69/83/160266983.db2.gz OVSLHCDYCJFUAD-FZMZJTMJSA-N 0 1 339.848 2.069 10 30 EEEEMN C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)N1CCCC[C@@H]1C ZINC000343668125 161156713 /nfs/dbraw/zinc/15/67/13/161156713.db2.gz SSVCUUUAURXUED-QWHCGFSZSA-N 0 1 339.436 2.239 10 30 EEEEMN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(C#N)c(OC)c1 ZINC000369115823 166193795 /nfs/dbraw/zinc/19/37/95/166193795.db2.gz JTOPGORHLZNCAY-JKSUJKDBSA-N 0 1 332.400 2.109 10 30 EEEEMN C[C@H]1[C@H](CO)CCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000488787069 280112971 /nfs/dbraw/zinc/11/29/71/280112971.db2.gz UYQQGFVVNPHAPT-KBPBESRZSA-N 0 1 335.835 2.289 10 30 EEEEMN N#Cc1ccc([C@H](C(N)=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000451334045 303200622 /nfs/dbraw/zinc/20/06/22/303200622.db2.gz BOQLUPHUAGDMIH-BSDSXHPESA-N 0 1 327.428 2.100 10 30 EEEEMN CC(C)CN1Cc2cccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)c2C1 ZINC000547395108 318284862 /nfs/dbraw/zinc/28/48/62/318284862.db2.gz WFWUEDAPSQFTJG-CYBMUJFWSA-N 0 1 338.415 2.321 10 30 EEEEMN CNC(=O)[C@H](CNCc1nc(C#N)cs1)Cc1ccc(F)cc1C ZINC000583499273 324676846 /nfs/dbraw/zinc/67/68/46/324676846.db2.gz ACJNPFIBPSGGFJ-ZDUSSCGKSA-N 0 1 346.431 2.157 10 30 EEEEMN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC000328966428 465185066 /nfs/dbraw/zinc/18/50/66/465185066.db2.gz SONQVPJIWAMAGX-NEPJUHHUSA-N 0 1 342.447 2.375 10 30 EEEEMN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC000328966428 465185072 /nfs/dbraw/zinc/18/50/72/465185072.db2.gz SONQVPJIWAMAGX-NEPJUHHUSA-N 0 1 342.447 2.375 10 30 EEEEMN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329311979 465295657 /nfs/dbraw/zinc/29/56/57/465295657.db2.gz CUCUTJARFOUPHA-APIJFGDWSA-N 0 1 331.420 2.332 10 30 EEEEMN CC1CN(Cc2ccnc(C#N)c2)CCN(Cc2ccnc(C#N)c2)C1 ZINC000590762834 468331919 /nfs/dbraw/zinc/33/19/19/468331919.db2.gz DQGPMOIMJGBITO-UHFFFAOYSA-N 0 1 346.438 2.174 10 30 EEEEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000171617509 463892865 /nfs/dbraw/zinc/89/28/65/463892865.db2.gz ZAHDYOSNQKDDEG-IBGZPJMESA-N 0 1 337.423 2.378 10 30 EEEEMN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000288542362 464049121 /nfs/dbraw/zinc/04/91/21/464049121.db2.gz YESXCDVQTXIHBZ-SJLPKXTDSA-N 0 1 343.471 2.048 10 30 EEEEMN Cn1cc(CN2CCC[C@@H](n3cncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180081939 464238286 /nfs/dbraw/zinc/23/82/86/464238286.db2.gz ARZSWYANKCGSAF-GOSISDBHSA-N 0 1 347.426 2.387 10 30 EEEEMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1S(C)(=O)=O ZINC000188735406 464354504 /nfs/dbraw/zinc/35/45/04/464354504.db2.gz MLBFTAGDAPXYOF-UHFFFAOYSA-N 0 1 330.365 2.228 10 30 EEEEMN N#CCCOCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000293531052 464411095 /nfs/dbraw/zinc/41/10/95/464411095.db2.gz PMOOTEHWLIYMAM-UHFFFAOYSA-N 0 1 335.835 2.418 10 30 EEEEMN C=CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181403132 464485546 /nfs/dbraw/zinc/48/55/46/464485546.db2.gz LCILVXIUEARBOG-AWEZNQCLSA-N 0 1 333.432 2.384 10 30 EEEEMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181733953 464523995 /nfs/dbraw/zinc/52/39/95/464523995.db2.gz DQXUPFVOVGDIFO-KBPBESRZSA-N 0 1 331.416 2.117 10 30 EEEEMN C[C@H](O)CN1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1C ZINC000246487327 464592050 /nfs/dbraw/zinc/59/20/50/464592050.db2.gz 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/nfs/dbraw/zinc/48/73/16/1191487316.db2.gz LQQOJXPXXGMSSK-RDJZCZTQSA-N 0 1 343.899 2.260 10 30 EEEEMN C=C(Cl)CN1CCC[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)CC1 ZINC001484728289 1191487317 /nfs/dbraw/zinc/48/73/17/1191487317.db2.gz LQQOJXPXXGMSSK-RDJZCZTQSA-N 0 1 343.899 2.260 10 30 EEEEMN CCCCCCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001484785930 1191520218 /nfs/dbraw/zinc/52/02/18/1191520218.db2.gz XXKRGSCVRNTWCK-INIZCTEOSA-N 0 1 344.459 2.430 10 30 EEEEMN C=CCCN1CC2(C1)CC[C@@H](CNC(=O)Cc1ccc(OC)cc1)O2 ZINC001484789246 1191526446 /nfs/dbraw/zinc/52/64/46/1191526446.db2.gz AWMSODISWIJGNI-SFHVURJKSA-N 0 1 344.455 2.163 10 30 EEEEMN C=C(Cl)CN[C@@]1(CO)CCCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001484845107 1191550252 /nfs/dbraw/zinc/55/02/52/1191550252.db2.gz KBWGOXYPFYOGTO-AWEZNQCLSA-N 0 1 336.810 2.117 10 30 EEEEMN C=C[C@](C)(O)CC(=O)NCc1ccc2c(c1)CN(C[C@@H](CC)OC)C2 ZINC001484872967 1191557111 /nfs/dbraw/zinc/55/71/11/1191557111.db2.gz HCQLOTOCKHDNEX-QUCCMNQESA-N 0 1 346.471 2.371 10 30 EEEEMN C#CCN1CC[C@H](NC(=O)[C@H](OC)c2cccc(OC)c2)C(C)(C)C1 ZINC001484939824 1191582755 /nfs/dbraw/zinc/58/27/55/1191582755.db2.gz ZWGRIORGNXSDEF-ZWKOTPCHSA-N 0 1 344.455 2.233 10 30 EEEEMN C=CCCN1CC(N2CCN(C(=O)CCCc3cccs3)CC2)C1 ZINC001484945900 1191588800 /nfs/dbraw/zinc/58/88/00/1191588800.db2.gz IBPSWHAPMSWHSZ-UHFFFAOYSA-N 0 1 347.528 2.475 10 30 EEEEMN C=CCOCC(=O)N[C@H]1CCN(Cc2oc(CC)nc2C)[C@@H](C)C1 ZINC001484965633 1191591055 /nfs/dbraw/zinc/59/10/55/1191591055.db2.gz AXPFYQVKFQAZFB-ZFWWWQNUSA-N 0 1 335.448 2.217 10 30 EEEEMN C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(C(N)=O)c2)[C@H](C)C1 ZINC001484968335 1191594794 /nfs/dbraw/zinc/59/47/94/1191594794.db2.gz POGJXNPRJSRNTQ-RHSMWYFYSA-N 0 1 329.444 2.221 10 30 EEEEMN C=CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C(=O)C1=CCCCCC1 ZINC001485053618 1191632955 /nfs/dbraw/zinc/63/29/55/1191632955.db2.gz UWWPKZQUNFGXGZ-AEFFLSMTSA-N 0 1 347.503 2.490 10 30 EEEEMN C=C(Br)CN[C@H](C)[C@H](C)NC(=O)c1cc(Cl)no1 ZINC001485215508 1191688738 /nfs/dbraw/zinc/68/87/38/1191688738.db2.gz LIMSMTWKGGZNDW-SFYZADRCSA-N 0 1 336.617 2.333 10 30 EEEEMN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2cnoc2C)CCOCC1 ZINC001485219024 1191690267 /nfs/dbraw/zinc/69/02/67/1191690267.db2.gz GIGHERCMRJTNTD-UONOGXRCSA-N 0 1 335.448 2.339 10 30 EEEEMN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)CCC(=O)NC1CCCC1 ZINC001485204586 1191692201 /nfs/dbraw/zinc/69/22/01/1191692201.db2.gz KHOLDGJQRWIOCU-CHWSQXEVSA-N 0 1 329.872 2.061 10 30 EEEEMN C[C@@H](NCc1ccccc1C#N)[C@@H](C)NC(=O)c1c[nH]nc1C1CC1 ZINC001485209698 1191694257 /nfs/dbraw/zinc/69/42/57/1191694257.db2.gz YIQDPCKZOMTBEI-CHWSQXEVSA-N 0 1 337.427 2.455 10 30 EEEEMN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1ccc(F)c(F)c1 ZINC001485292761 1191722551 /nfs/dbraw/zinc/72/25/51/1191722551.db2.gz JKPFCICJCRRODE-LLVKDONJSA-N 0 1 332.354 2.415 10 30 EEEEMN COCC#CCN(C)[C@@H](C)CNC(=O)c1ccc(C)nc1C(C)C ZINC001485334475 1191739665 /nfs/dbraw/zinc/73/96/65/1191739665.db2.gz QAZAIFGGTIDIMW-INIZCTEOSA-N 0 1 331.460 2.213 10 30 EEEEMN CCC[C@@H](OC)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001485335043 1191739919 /nfs/dbraw/zinc/73/99/19/1191739919.db2.gz BAQORGVSZGEGKO-SUMWQHHRSA-N 0 1 335.423 2.449 10 30 EEEEMN CCC[C@@H](OC)C(=O)NC[C@H](C)N(C)Cc1ccc(F)c(C#N)c1 ZINC001485335043 1191739921 /nfs/dbraw/zinc/73/99/21/1191739921.db2.gz BAQORGVSZGEGKO-SUMWQHHRSA-N 0 1 335.423 2.449 10 30 EEEEMN COCC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001485479523 1191807008 /nfs/dbraw/zinc/80/70/08/1191807008.db2.gz DUGIHTGMIKXXLU-FHWLQOOXSA-N 0 1 332.488 2.433 10 30 EEEEMN COCC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001485479523 1191807011 /nfs/dbraw/zinc/80/70/11/1191807011.db2.gz DUGIHTGMIKXXLU-FHWLQOOXSA-N 0 1 332.488 2.433 10 30 EEEEMN C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1c(OC)cccc1OC ZINC001485479879 1191807060 /nfs/dbraw/zinc/80/70/60/1191807060.db2.gz OGTVALGABQGIFB-MRXNPFEDSA-N 0 1 344.455 2.240 10 30 EEEEMN C#CCN1CC[C@]2(NC(=O)COc3cc(C)cc(C)c3)CCC[C@H]12 ZINC001486153550 1193703401 /nfs/dbraw/zinc/70/34/01/1193703401.db2.gz HISUPSMONNZUMC-AZUAARDMSA-N 0 1 326.440 2.429 10 30 EEEEMN C=CCCC(=O)N[C@@H]1CCCN(Cc2cccc(C(N)=O)c2)[C@@H]1C ZINC001486170330 1193711026 /nfs/dbraw/zinc/71/10/26/1193711026.db2.gz HZZSTPUUYCQBRU-RHSMWYFYSA-N 0 1 329.444 2.221 10 30 EEEEMN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2nnc(C)n2C2CC2)C1 ZINC001486194880 1193734660 /nfs/dbraw/zinc/73/46/60/1193734660.db2.gz IXUOXCRGQKRMQO-CABCVRRESA-N 0 1 331.464 2.262 10 30 EEEEMN C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1conc1C1CCCC1 ZINC001486282019 1193790427 /nfs/dbraw/zinc/79/04/27/1193790427.db2.gz XNUTWJBVLKXJQK-ZDUSSCGKSA-N 0 1 341.839 2.107 10 30 EEEEMN C=CC(C)(C)C(=O)N[C@H](C)C1CCN(CC(=O)N2CCCCC2)CC1 ZINC001486439306 1193958372 /nfs/dbraw/zinc/95/83/72/1193958372.db2.gz SDVYKOQTXOLBGS-MRXNPFEDSA-N 0 1 349.519 2.428 10 30 EEEEMN CC#CCN[C@H]1CN(C(=O)c2cc(CC)on2)CC[C@H]1C(F)(F)F ZINC001486452548 1193974515 /nfs/dbraw/zinc/97/45/15/1193974515.db2.gz KJWYVCHEQHKEGG-OCCSQVGLSA-N 0 1 343.349 2.243 10 30 EEEEMN C=CCCC(=O)N(C)C1CC(NCc2ccn(CC(F)(F)F)n2)C1 ZINC001486457241 1193977873 /nfs/dbraw/zinc/97/78/73/1193977873.db2.gz NLLHHHOLXFTUKP-UHFFFAOYSA-N 0 1 344.381 2.491 10 30 EEEEMN C#CCCCC(=O)NC1(C2CCN([C@@H](C)c3n[nH]c(C)n3)CC2)CC1 ZINC001486488205 1194010317 /nfs/dbraw/zinc/01/03/17/1194010317.db2.gz RGCYTWMERMKPSQ-AWEZNQCLSA-N 0 1 343.475 2.338 10 30 EEEEMN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001486571915 1194090125 /nfs/dbraw/zinc/09/01/25/1194090125.db2.gz AQGGARYRDJSGQG-QGZVFWFLSA-N 0 1 344.459 2.170 10 30 EEEEMN C#CCCCC(=O)N[C@H]1CCN(C[C@H](O)c2ccccc2F)[C@@H]1C ZINC001691664191 1194286451 /nfs/dbraw/zinc/28/64/51/1194286451.db2.gz KRXZFXURECJFPS-JLSDUUJJSA-N 0 1 332.419 2.242 10 30 EEEEMN C=CCC1(C(=O)N2CCC3(C2)CCN(CC(N)=O)CC3)CCCCC1 ZINC001671059111 1195046943 /nfs/dbraw/zinc/04/69/43/1195046943.db2.gz CVOGOLPDKPVOPA-UHFFFAOYSA-N 0 1 347.503 2.313 10 30 EEEEMN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCCN1C(=O)Cc1c[nH]cn1 ZINC001487135257 1197232651 /nfs/dbraw/zinc/23/26/51/1197232651.db2.gz TZMOXYGKQJATOX-VQIMIIECSA-N 0 1 346.475 2.442 10 30 EEEEMN C=CCC1(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CCCCN3C)C2)CCC1 ZINC001487206291 1197290581 /nfs/dbraw/zinc/29/05/81/1197290581.db2.gz DBZZZJZQADLCDR-WBVHZDCISA-N 0 1 347.503 2.180 10 30 EEEEMN CN(C[C@@H]1CCN1CCOCC1CC1)C(=O)CC#Cc1ccccc1 ZINC001691679129 1197484034 /nfs/dbraw/zinc/48/40/34/1197484034.db2.gz RWBMERRUIYSJJR-FQEVSTJZSA-N 0 1 340.467 2.388 10 30 EEEEMN COC(=O)CCN(CC#N)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000871340139 1197690673 /nfs/dbraw/zinc/69/06/73/1197690673.db2.gz SZINVILGJFFFGP-UHFFFAOYSA-N 0 1 346.774 2.259 10 30 EEEEMN C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)NCc1ccc(C#N)cc1F ZINC001410382370 1197781196 /nfs/dbraw/zinc/78/11/96/1197781196.db2.gz YJGHCGOSNLHPGD-DYVFJYSZSA-N 0 1 333.407 2.203 10 30 EEEEMN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872274937 1198124237 /nfs/dbraw/zinc/12/42/37/1198124237.db2.gz FDDTXEPTIAKBIS-QGZVFWFLSA-N 0 1 332.448 2.066 10 30 EEEEMN N#Cc1cc(C(F)(F)F)cc(NCCCCN2CCOCC2)n1 ZINC000865445666 1198222116 /nfs/dbraw/zinc/22/21/16/1198222116.db2.gz LIJSMJLLWXOQHR-UHFFFAOYSA-N 0 1 328.338 2.496 10 30 EEEEMN CC[C@H](C)OCC(=O)N(CC)CCNCC#Cc1ccc(F)cc1 ZINC001273335373 1198226492 /nfs/dbraw/zinc/22/64/92/1198226492.db2.gz WIMLGYCXOQRZMD-INIZCTEOSA-N 0 1 334.435 2.430 10 30 EEEEMN C=CCN(CC=C)C(=O)CN1CCC[C@@H](NC(=O)[C@@H](C)C2CC2)CC1 ZINC001273398681 1198530031 /nfs/dbraw/zinc/53/00/31/1198530031.db2.gz BAMSNWRRHRREOM-FUHWJXTLSA-N 0 1 347.503 2.204 10 30 EEEEMN C=CCNC(=O)CN1CCC[C@H](NC(=O)CC(C)(C)C2CC2)CC1 ZINC001273409442 1198634998 /nfs/dbraw/zinc/63/49/98/1198634998.db2.gz GPJSPADQWHYVMC-INIZCTEOSA-N 0 1 335.492 2.086 10 30 EEEEMN C=C(Cl)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC001411047407 1198728588 /nfs/dbraw/zinc/72/85/88/1198728588.db2.gz INSSGXSGFHLTSK-NWDGAFQWSA-N 0 1 346.805 2.230 10 30 EEEEMN C=C(Cl)CNC[C@H](O)CN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC001411047406 1198728718 /nfs/dbraw/zinc/72/87/18/1198728718.db2.gz INSSGXSGFHLTSK-NEPJUHHUSA-N 0 1 346.805 2.230 10 30 EEEEMN O=C(CC1(O)CCC1)N[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC001273417018 1198735788 /nfs/dbraw/zinc/73/57/88/1198735788.db2.gz CPBCWXQCRQPRQD-LJQANCHMSA-N 0 1 340.467 2.314 10 30 EEEEMN C=C(C)CCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NCC(C)C)CC1 ZINC001273418763 1198755104 /nfs/dbraw/zinc/75/51/04/1198755104.db2.gz QKEYQXIELOYISV-DLBZAZTESA-N 0 1 337.508 2.474 10 30 EEEEMN C=C(Cl)CNCCN(CC)C(=O)c1ccnn1CC(F)(F)F ZINC001273440873 1199144033 /nfs/dbraw/zinc/14/40/33/1199144033.db2.gz IVVKRRQDBHUTNN-UHFFFAOYSA-N 0 1 338.761 2.250 10 30 EEEEMN C#CCCCCCN1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000878292201 1200379087 /nfs/dbraw/zinc/37/90/87/1200379087.db2.gz WXKAPTGDNXQGMS-UHFFFAOYSA-N 0 1 343.471 2.445 10 30 EEEEMN CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854824 1200961812 /nfs/dbraw/zinc/96/18/12/1200961812.db2.gz XZJFVBKLQRUYHG-GDIGMMSISA-N 0 1 329.444 2.239 10 30 EEEEMN C=C(C)Cn1c(Cc2cc(C)n[nH]2)nnc1N1C[C@@H](OC)CC[C@H]1C ZINC000871103753 1201053004 /nfs/dbraw/zinc/05/30/04/1201053004.db2.gz GGTXFCFFGFOPGU-ZBFHGGJFSA-N 0 1 344.463 2.480 10 30 EEEEMN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000871188387 1201091060 /nfs/dbraw/zinc/09/10/60/1201091060.db2.gz OZKUINJFZRRAJX-PMACEKPBSA-N 0 1 349.434 2.291 10 30 EEEEMN C#CCC1(O)CCN([C@@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000880478340 1201498300 /nfs/dbraw/zinc/49/83/00/1201498300.db2.gz BHACGFSFIHAGDG-GOSISDBHSA-N 0 1 328.456 2.446 10 30 EEEEMN COc1c(C)cccc1CNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867983048 1201720377 /nfs/dbraw/zinc/72/03/77/1201720377.db2.gz ISGJMMYEOGGFDP-SFHVURJKSA-N 0 1 335.407 2.379 10 30 EEEEMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000867993558 1201722489 /nfs/dbraw/zinc/72/24/89/1201722489.db2.gz WBRMNLNSAVNYKP-FUHWJXTLSA-N 0 1 339.439 2.068 10 30 EEEEMN C=CCN1C(=O)N=NC1SC[C@H]1CCC2(CCOCC2)CO1 ZINC000882139430 1201821535 /nfs/dbraw/zinc/82/15/35/1201821535.db2.gz WMZJBGPBEFQQQA-GFCCVEGCSA-N 0 1 325.434 2.238 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CN(CCNCC#Cc1ccccc1Cl)C(=O)c1ccc(=O)[nH]c1 ZINC001664345659 1355142797 /nfs/dbraw/zinc/14/27/97/1355142797.db2.gz LLHOYXGZCKQRAH-UHFFFAOYSA-N 0 1 343.814 2.154 10 30 EEEEMN CC#CCCCC(=O)NCC1CN(Cc2ccccc2N(C)C)C1 ZINC001665320187 1355292074 /nfs/dbraw/zinc/29/20/74/1355292074.db2.gz DDNMOKPGNORYAF-UHFFFAOYSA-N 0 1 327.472 2.494 10 30 EEEEMN COCC#CCN1CC[C@@H](N(C)C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001665641684 1355344211 /nfs/dbraw/zinc/34/42/11/1355344211.db2.gz FRJOEEYAHFLRMJ-SFFCAUCYSA-N 0 1 344.430 2.412 10 30 EEEEMN C#CC[NH2+]C[C@]1(NC(=O)c2[n-]ncc2C(F)(F)F)CCCC[C@H]1C ZINC001666057028 1355435810 /nfs/dbraw/zinc/43/58/10/1355435810.db2.gz RKCJDFKYGJWOSI-IAQYHMDHSA-N 0 1 342.365 2.330 10 30 EEEEMN CC#CCCCC(=O)N1CCC(CCNCc2ncnn2CC)CC1 ZINC001666236829 1355492531 /nfs/dbraw/zinc/49/25/31/1355492531.db2.gz XVBWTQYIOBYXBF-UHFFFAOYSA-N 0 1 345.491 2.210 10 30 EEEEMN CC(C)C#CC(=O)N1CCC[C@@H]1CNCc1nc2ccccc2n1C ZINC001666415133 1355525002 /nfs/dbraw/zinc/52/50/02/1355525002.db2.gz 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EEEEMN C=C[C@H](CC)CC(=O)NCC1(C)CCN(CC(=O)NC2CC2)CC1 ZINC001671849580 1356425474 /nfs/dbraw/zinc/42/54/74/1356425474.db2.gz VJYKTVFVAMVJJJ-OAHLLOKOSA-N 0 1 335.492 2.086 10 30 EEEEMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001671972559 1356447618 /nfs/dbraw/zinc/44/76/18/1356447618.db2.gz URLWMEVJBDDFGA-UKRRQHHQSA-N 0 1 340.418 2.173 10 30 EEEEMN C=C(C)CN1CCC[C@](CO)(NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001672503628 1356537032 /nfs/dbraw/zinc/53/70/32/1356537032.db2.gz OGFFMLBJBVPWBP-FQEVSTJZSA-N 0 1 346.471 2.201 10 30 EEEEMN C=C(Cl)CNCCN(CCO)C(=O)Cc1c[nH]c2c1cccc2C ZINC001672685952 1356565718 /nfs/dbraw/zinc/56/57/18/1356565718.db2.gz ITUDBOJTVYONQO-UHFFFAOYSA-N 0 1 349.862 2.182 10 30 EEEEMN N#CCSCC(=O)N1CC[C@H](CCNC/C(Cl)=C/Cl)C1 ZINC001672744715 1356574005 /nfs/dbraw/zinc/57/40/05/1356574005.db2.gz KSNSGTBUHGMVDK-ZWIPKHHJSA-N 0 1 336.288 2.390 10 30 EEEEMN N#CCNCC[C@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC001672806048 1356588604 /nfs/dbraw/zinc/58/86/04/1356588604.db2.gz 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344.430 2.279 10 30 EEEEMN C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001674733721 1356886145 /nfs/dbraw/zinc/88/61/45/1356886145.db2.gz DIOQFLZTOPGGTJ-QWHCGFSZSA-N 0 1 328.416 2.398 10 30 EEEEMN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC(=O)Nc1cc(C)on1 ZINC001674735984 1356886556 /nfs/dbraw/zinc/88/65/56/1356886556.db2.gz TVLIOQMMTIMHSS-QWHCGFSZSA-N 0 1 336.436 2.007 10 30 EEEEMN C=CCN1CC[C@@H](N(C)[C@H](C)CNC(=O)CCC2CCCC2)C1=O ZINC001674883035 1356906061 /nfs/dbraw/zinc/90/60/61/1356906061.db2.gz DYKRUUDGKLTHMZ-NVXWUHKLSA-N 0 1 335.492 2.180 10 30 EEEEMN C=CC[C@H](C(=O)NC[C@H](C)N(C)Cc1n[nH]c(C)n1)c1ccccc1 ZINC001675048545 1356929381 /nfs/dbraw/zinc/92/93/81/1356929381.db2.gz GIPNWXNEWVAISS-YOEHRIQHSA-N 0 1 341.459 2.410 10 30 EEEEMN COCC#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001675253768 1356952907 /nfs/dbraw/zinc/95/29/07/1356952907.db2.gz YCXRBGQMVYUFAS-OAHLLOKOSA-N 0 1 335.473 2.076 10 30 EEEEMN C=CCCCN1CCO[C@]2(CCN(C(=O)[C@H](C)OCCCC)C2)C1 ZINC001675417862 1356975432 /nfs/dbraw/zinc/97/54/32/1356975432.db2.gz MKLAKPGHULSHAC-PKOBYXMFSA-N 0 1 338.492 2.461 10 30 EEEEMN C=C(C)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(C4CC4)n3)C[C@H]21 ZINC001675534380 1357003011 /nfs/dbraw/zinc/00/30/11/1357003011.db2.gz ZNIMIXPAYLKCIP-QKDCVEJESA-N 0 1 343.475 2.078 10 30 EEEEMN C=CCOCC(=O)N[C@@H]1CC[C@H]2CN(Cc3cscn3)C[C@H]2C1 ZINC001675635104 1357022870 /nfs/dbraw/zinc/02/28/70/1357022870.db2.gz LQQDLWQWMTWNQE-RRFJBIMHSA-N 0 1 335.473 2.062 10 30 EEEEMN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(Cc3nncn3C)C[C@H]2C1 ZINC001675642732 1357025706 /nfs/dbraw/zinc/02/57/06/1357025706.db2.gz MGZBUQJQQJVMOD-BZUAXINKSA-N 0 1 345.491 2.134 10 30 EEEEMN COCC#CCN1CCCC2(CN(C(=O)[C@@H](C)C3CCCC3)C2)C1 ZINC001675677061 1357034075 /nfs/dbraw/zinc/03/40/75/1357034075.db2.gz BPBHUDRPMNHMQW-KRWDZBQOSA-N 0 1 332.488 2.387 10 30 EEEEMN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN2CCC(C)(C)C2)[C@@H]1C ZINC001680458337 1357835427 /nfs/dbraw/zinc/83/54/27/1357835427.db2.gz LWIUEBXWZCBWOB-HOTGVXAUSA-N 0 1 335.492 2.180 10 30 EEEEMN C=C1CC(C)(C(=O)NC[C@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C)C1 ZINC001681042040 1357945636 /nfs/dbraw/zinc/94/56/36/1357945636.db2.gz SVNXFHRRUISONT-HNNXBMFYSA-N 0 1 346.475 2.346 10 30 EEEEMN C=C(C)CCC(=O)N(CC)[C@H](C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001681711011 1358059664 /nfs/dbraw/zinc/05/96/64/1358059664.db2.gz JNJCDLUJXCHJLX-CYBMUJFWSA-N 0 1 343.431 2.281 10 30 EEEEMN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2C)C12CCC2 ZINC001682693015 1358167688 /nfs/dbraw/zinc/16/76/88/1358167688.db2.gz CWSHKCRZQWZPDG-KBPBESRZSA-N 0 1 344.459 2.396 10 30 EEEEMN C#CCCCCC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001684111751 1358229232 /nfs/dbraw/zinc/22/92/32/1358229232.db2.gz NWOSGLDHUTUHRN-ROUUACIJSA-N 0 1 347.503 2.114 10 30 EEEEMN C=C[C@](C)(CC)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCC(C)CC1 ZINC001684153554 1358239658 /nfs/dbraw/zinc/23/96/58/1358239658.db2.gz RMCGWBCWAMPRNI-YLJYHZDGSA-N 0 1 349.519 2.380 10 30 EEEEMN 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ZINC001671644359 1356381971 /nfs/dbraw/zinc/38/19/71/1356381971.db2.gz OTDUEGMUFQPDRF-JTMFDWDJSA-N 0 1 326.440 2.319 10 30 EEEEMN CC#CCCCC(=O)N[C@@]1(C)CCN(CCOCC(F)(F)F)C1 ZINC001671667873 1356389286 /nfs/dbraw/zinc/38/92/86/1356389286.db2.gz ZFJIWJYFNNXSHA-HNNXBMFYSA-N 0 1 334.382 2.340 10 30 EEEEMN COCC#CCN1CC[C@@](C)(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001671688754 1356395262 /nfs/dbraw/zinc/39/52/62/1356395262.db2.gz GEDSJYTZPOPHMD-IEBWSBKVSA-N 0 1 346.858 2.210 10 30 EEEEMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001671972558 1356447360 /nfs/dbraw/zinc/44/73/60/1356447360.db2.gz URLWMEVJBDDFGA-HIFRSBDPSA-N 0 1 340.418 2.173 10 30 EEEEMN C=CCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001672188525 1356476124 /nfs/dbraw/zinc/47/61/24/1356476124.db2.gz ANZVYUBNEYYZLN-ZFWWWQNUSA-N 0 1 344.459 2.352 10 30 EEEEMN C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2ncnn2CCC)C1 ZINC001672209873 1356480217 /nfs/dbraw/zinc/48/02/17/1356480217.db2.gz 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ZINC001673639585 1356722717 /nfs/dbraw/zinc/72/27/17/1356722717.db2.gz LOWDOPCHQXSCHO-HNNXBMFYSA-N 0 1 327.881 2.310 10 30 EEEEMN C=C(Br)CN[C@@H]1CN(C(=O)COCCCC)C[C@@H]1C ZINC001673860680 1356751116 /nfs/dbraw/zinc/75/11/16/1356751116.db2.gz GIAWGQOTTWFCFJ-WCQYABFASA-N 0 1 333.270 2.148 10 30 EEEEMN CCC(=O)NCCCCCN1CCN(Cc2ccc(C#N)s2)CC1 ZINC001674284378 1356812707 /nfs/dbraw/zinc/81/27/07/1356812707.db2.gz PALWUWICOKZBIU-UHFFFAOYSA-N 0 1 348.516 2.434 10 30 EEEEMN C#CCN1CCC(CO)(NC(=O)[C@H](C)c2cc3ccccc3o2)CC1 ZINC001674330516 1356819366 /nfs/dbraw/zinc/81/93/66/1356819366.db2.gz SCGWEAYFNYRHHH-OAHLLOKOSA-N 0 1 340.423 2.113 10 30 EEEEMN COCC#CCN(C)C[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)c1 ZINC001674469656 1356840769 /nfs/dbraw/zinc/84/07/69/1356840769.db2.gz NGWXANUFFZSBLY-SFHVURJKSA-N 0 1 341.455 2.145 10 30 EEEEMN C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001674733722 1356886001 /nfs/dbraw/zinc/88/60/01/1356886001.db2.gz DIOQFLZTOPGGTJ-STQMWFEESA-N 0 1 328.416 2.398 10 30 EEEEMN COCC#CCN(C)[C@H](C)CNC(=O)c1conc1C1CCCC1 ZINC001674937033 1356913172 /nfs/dbraw/zinc/91/31/72/1356913172.db2.gz CYABJTHHOWTBBH-CQSZACIVSA-N 0 1 333.432 2.032 10 30 EEEEMN COCC#CCN(C)[C@@H](C)CNC(=O)c1sc(C(C)C)nc1C ZINC001675044070 1356928409 /nfs/dbraw/zinc/92/84/09/1356928409.db2.gz UYKZIEKDJOIBHS-ZDUSSCGKSA-N 0 1 337.489 2.275 10 30 EEEEMN CCCC[C@@H](CNCc1csnc1OC)NC(=O)C#CC1CC1 ZINC001675222837 1356947298 /nfs/dbraw/zinc/94/72/98/1356947298.db2.gz UFKJQGUEMVOWKS-HNNXBMFYSA-N 0 1 335.473 2.330 10 30 EEEEMN C=C[C@](C)(O)CC(=O)N[C@H](C)C1CN(Cc2ccc(COC)cc2)C1 ZINC001675305363 1356961723 /nfs/dbraw/zinc/96/17/23/1356961723.db2.gz MOGYMDHSSYBWMS-QRWLVFNGSA-N 0 1 346.471 2.097 10 30 EEEEMN CC#CCN1CC([C@@H](C)NC(=O)COC/C=C/c2ccccc2)C1 ZINC001675317491 1356963563 /nfs/dbraw/zinc/96/35/63/1356963563.db2.gz HROLHQCBNRURKI-VGMNTSGFSA-N 0 1 326.440 2.176 10 30 EEEEMN C=CCCC(=O)N1CC[C@]2(C1)CN(C[C@@H](OC)C1CCC1)CCO2 ZINC001675418995 1356976179 /nfs/dbraw/zinc/97/61/79/1356976179.db2.gz XQOJEXSNTDKGNV-IEBWSBKVSA-N 0 1 336.476 2.071 10 30 EEEEMN C=C[C@@H](CC)CC(=O)N1CC[C@@]2(C1)CN(CCCOCC)CCO2 ZINC001675423020 1356977386 /nfs/dbraw/zinc/97/73/86/1356977386.db2.gz PWSHPKXYNGBRQT-HKUYNNGSSA-N 0 1 338.492 2.319 10 30 EEEEMN C=CCCCN1CCO[C@@]2(CCN(C(=O)c3ccn(C)c3CC)C2)C1 ZINC001675423162 1356977396 /nfs/dbraw/zinc/97/73/96/1356977396.db2.gz TZAWBJPDKCLHHD-FQEVSTJZSA-N 0 1 345.487 2.471 10 30 EEEEMN O=C(CC(F)(F)F)NC[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001675499328 1356996156 /nfs/dbraw/zinc/99/61/56/1356996156.db2.gz NPWFBFJAVSOZSO-PHZGNYQRSA-N 0 1 336.357 2.285 10 30 EEEEMN CC(C)C#CC(=O)NC[C@@H]1[C@H]2CN(Cc3cc(F)ccc3F)C[C@H]21 ZINC001675519015 1356999500 /nfs/dbraw/zinc/99/95/00/1356999500.db2.gz ZAMJFFZGUBRSIX-OSYLJGHBSA-N 0 1 332.394 2.418 10 30 EEEEMN C=CCCC(=O)N[C@@H]1CC[C@H]2CN(Cc3nc(CC)no3)C[C@H]2C1 ZINC001675628023 1357020189 /nfs/dbraw/zinc/02/01/89/1357020189.db2.gz OWFZCQOOZAMCIP-RRFJBIMHSA-N 0 1 332.448 2.315 10 30 EEEEMN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](CNCc2cc(C(C)(C)C)on2)C1 ZINC001675734053 1357044125 /nfs/dbraw/zinc/04/41/25/1357044125.db2.gz FPMFJNKLJKMHIH-NJSLBKSFSA-N 0 1 349.475 2.284 10 30 EEEEMN C=CC1(CC(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ncn[nH]2)CCCCC1 ZINC001681570904 1358033774 /nfs/dbraw/zinc/03/37/74/1358033774.db2.gz BVXCGDQGQDCSAN-ZIAGYGMSSA-N 0 1 347.463 2.344 10 30 EEEEMN C=CC1(CC(=O)N[C@H](C)C[C@@H](C)NC(=O)c2nc[nH]n2)CCCCC1 ZINC001681570904 1358033800 /nfs/dbraw/zinc/03/38/00/1358033800.db2.gz BVXCGDQGQDCSAN-ZIAGYGMSSA-N 0 1 347.463 2.344 10 30 EEEEMN C#CCC1(C(=O)NCC[C@@H](C)NC(=O)[C@@H]2CCCN2C)CCCCC1 ZINC001688262623 1358878212 /nfs/dbraw/zinc/87/82/12/1358878212.db2.gz AMSTVXGPDGWPLI-SJORKVTESA-N 0 1 347.503 2.065 10 30 EEEEMN C=CCC(C)(C)C(=O)N(C)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC001688349968 1358926177 /nfs/dbraw/zinc/92/61/77/1358926177.db2.gz YKSYWXIPDSLGEP-UHFFFAOYSA-N 0 1 332.448 2.079 10 30 EEEEMN CC#CCN[C@@H](CNC(=O)[C@H]1CCc2ncncc2C1)c1ccccc1 ZINC001691786977 1404946998 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C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNCc1ncc(C2CC2)o1 ZINC001699134794 1405284691 /nfs/dbraw/zinc/28/46/91/1405284691.db2.gz YYMSAIZEOGIUAJ-CFVMTHIKSA-N 0 1 333.432 2.128 10 30 EEEEMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1C[C@H](O)Cc1ccccc1 ZINC001699625051 1405422647 /nfs/dbraw/zinc/42/26/47/1405422647.db2.gz CFFVZDFRYJJEIH-ZWKOTPCHSA-N 0 1 330.472 2.383 10 30 EEEEMN C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CCCN(Cc2conc2CC)C1 ZINC001699869714 1405533356 /nfs/dbraw/zinc/53/33/56/1405533356.db2.gz HQQCCPXFSZQJFV-RBUKOAKNSA-N 0 1 349.475 2.282 10 30 EEEEMN C[C@@]1(CNC(=O)CSCC#N)CCCN(Cc2cccnc2)C1 ZINC001699871881 1405538883 /nfs/dbraw/zinc/53/88/83/1405538883.db2.gz VNYZMEDPCNYQCD-KRWDZBQOSA-N 0 1 332.473 2.057 10 30 EEEEMN C=CCCC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001699883642 1405550110 /nfs/dbraw/zinc/55/01/10/1405550110.db2.gz QFJHEWQZFNCLQR-UHFFFAOYSA-N 0 1 347.415 2.316 10 30 EEEEMN C=C1CCC(C(=O)N2C[C@H](C)[C@H](NCc3cncc(OC)n3)C2)CC1 ZINC000939058921 775332932 /nfs/dbraw/zinc/33/29/32/775332932.db2.gz OAUWPTJKOWSQBY-WMLDXEAASA-N 0 1 344.459 2.168 10 30 EEEEMN C=C[C@](C)(CC)C(=O)N1CCC(C)(NCc2cnn(CC)n2)CC1 ZINC000940301461 778439754 /nfs/dbraw/zinc/43/97/54/778439754.db2.gz QDCGARHZGQMDLW-QGZVFWFLSA-N 0 1 333.480 2.371 10 30 EEEEMN CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C(C)(C)C1 ZINC000940907297 779498637 /nfs/dbraw/zinc/49/86/37/779498637.db2.gz CHTRBWVZUISAGY-OAHLLOKOSA-N 0 1 339.443 2.120 10 30 EEEEMN CC#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C(C)(C)C1 ZINC000940907297 779498639 /nfs/dbraw/zinc/49/86/39/779498639.db2.gz CHTRBWVZUISAGY-OAHLLOKOSA-N 0 1 339.443 2.120 10 30 EEEEMN CC#CCN1CC[C@@H](NC(=O)c2cc(C(F)F)n(C)n2)C(C)(C)C1 ZINC000940894457 779511289 /nfs/dbraw/zinc/51/12/89/779511289.db2.gz AUONUCPAQRBALE-CQSZACIVSA-N 0 1 338.402 2.211 10 30 EEEEMN C=C1CCC(C(=O)N[C@@H]2CCN([C@@H](C)C(=O)N(C)C)CC2(C)C)CC1 ZINC000940996894 779641196 /nfs/dbraw/zinc/64/11/96/779641196.db2.gz JMPRAEWEDPFSRC-DOTOQJQBSA-N 0 1 349.519 2.426 10 30 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C=C1CC(C)(C(=O)NC[C@@]2(C)CCCN(CCNC(=O)C3CC3)C2)C1 ZINC001270990499 1185794111 /nfs/dbraw/zinc/79/41/11/1185794111.db2.gz BLQZTUUVLRKADR-LJQANCHMSA-N 0 1 347.503 2.087 10 30 EEEEMN C#CCN1CCC[C@](C)(CNC(=O)c2c(C)nn(CC)c2Cl)C1 ZINC001271017187 1185817072 /nfs/dbraw/zinc/81/70/72/1185817072.db2.gz MOUACFZBAXJCNL-QGZVFWFLSA-N 0 1 336.867 2.330 10 30 EEEEMN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCC(=O)Nc1nccs1 ZINC001271093056 1185878212 /nfs/dbraw/zinc/87/82/12/1185878212.db2.gz MTIFHILYOZTMSP-LRDDRELGSA-N 0 1 338.477 2.120 10 30 EEEEMN CC#CCN1CC[C@](O)(CNC(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC001271200538 1186075300 /nfs/dbraw/zinc/07/53/00/1186075300.db2.gz GTQWQUPMEFWPRM-CTNGQTDRSA-N 0 1 342.483 2.140 10 30 EEEEMN C=C[C@H](CC)CC(=O)N1C[C@H]2CN([C@@H](C)c3n[nH]c(C)n3)C[C@H]2C1 ZINC001271874259 1186571082 /nfs/dbraw/zinc/57/10/82/1186571082.db2.gz WIYDOJJPZTYCHH-DRPJVOAASA-N 0 1 331.464 2.167 10 30 EEEEMN C#CCCCCCC(=O)N1C[C@H]2CN(Cc3conc3C)C[C@H]2C1 ZINC001271874315 1186571352 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CN(C(=O)CC#Cc1ccccc1)[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC001481753362 1182547551 /nfs/dbraw/zinc/54/75/51/1182547551.db2.gz TYEDGJNPUDOLTB-FQEVSTJZSA-N 0 1 340.467 2.388 10 30 EEEEMN Cc1cnc([C@@H](C)NC[C@@H]2CCCN2C(=O)C#CC(C)(C)C)cn1 ZINC001671293408 1182640760 /nfs/dbraw/zinc/64/07/60/1182640760.db2.gz FVPWPRRGJRIVGF-CVEARBPZSA-N 0 1 328.460 2.476 10 30 EEEEMN C=CC(C)(C)C(=O)N1CCC[C@@H](CCN[C@H](C)c2nncn2C)C1 ZINC001481979796 1183081153 /nfs/dbraw/zinc/08/11/53/1183081153.db2.gz UFBITPUFHJTVJB-CABCVRRESA-N 0 1 333.480 2.307 10 30 EEEEMN CCOc1nc(C(=O)NC/C=C\CNCc2ccc(C#N)s2)co1 ZINC001268563162 1183262966 /nfs/dbraw/zinc/26/29/66/1183262966.db2.gz LFMWCCXSEBTCPB-ARJAWSKDSA-N 0 1 346.412 2.082 10 30 EEEEMN C[C@@H]1COCC[C@@H]1C(=O)NC/C=C/CNCC#Cc1ccc(F)cc1 ZINC001268587590 1183387220 /nfs/dbraw/zinc/38/72/20/1183387220.db2.gz JNKPFRUDQBOGOH-AKWDPIGTSA-N 0 1 344.430 2.112 10 30 EEEEMN C=CCC[C@@H](C)N1CCO[C@@H](CNC(=O)Cc2ccncc2C)C1 ZINC001482191499 1183610096 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C=C(Cl)CNCCOCCN(C)C(=O)c1csc(Cl)n1 ZINC001284877160 1184947472 /nfs/dbraw/zinc/94/74/72/1184947472.db2.gz XEUAPLIGMJYZKK-UHFFFAOYSA-N 0 1 338.260 2.227 10 30 EEEEMN C#CCN(C(=O)/C(C)=C\C)C1CCN(Cc2cn(C)nc2C)CC1 ZINC001270301936 1185000112 /nfs/dbraw/zinc/00/01/12/1185000112.db2.gz NHYRZMCHKUJDSH-CHHVJCJISA-N 0 1 328.460 2.121 10 30 EEEEMN C#CCN(C(=O)c1ccnn1CC(C)C)C1CCN(CC#CC)CC1 ZINC001270321618 1185013897 /nfs/dbraw/zinc/01/38/97/1185013897.db2.gz XLRHNNCHXWLRAP-UHFFFAOYSA-N 0 1 340.471 2.102 10 30 EEEEMN C=CCNC(=O)CN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001270513444 1185138281 /nfs/dbraw/zinc/13/82/81/1185138281.db2.gz PTJRKYPDBGGTQA-XLIONFOSSA-N 0 1 349.519 2.285 10 30 EEEEMN C=CCN1CC[C@@H](N2CC[C@@](C)(NC(=O)C(C)=C3CCCC3)C2)C1=O ZINC001270564990 1185174704 /nfs/dbraw/zinc/17/47/04/1185174704.db2.gz BASGQJFZMYWCRQ-YLJYHZDGSA-N 0 1 345.487 2.244 10 30 EEEEMN C=CCN1CC2(C1)CCN(C(=O)COCc1cccc(OC)c1)CC2 ZINC001270852282 1185463742 /nfs/dbraw/zinc/46/37/42/1185463742.db2.gz 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1185772862 /nfs/dbraw/zinc/77/28/62/1185772862.db2.gz OIBONOUPGQICIM-HNAYVOBHSA-N 0 1 328.460 2.246 10 30 EEEEMN C=CC(C)(C)CC(=O)NCC1(NCc2ocnc2C)CCOCC1 ZINC001271044812 1185837128 /nfs/dbraw/zinc/83/71/28/1185837128.db2.gz XXKHYSHFFQLLIK-UHFFFAOYSA-N 0 1 335.448 2.340 10 30 EEEEMN C=C[C@](C)(CC)C(=O)NCC1(NCc2cnoc2C)CCOCC1 ZINC001271065487 1185853613 /nfs/dbraw/zinc/85/36/13/1185853613.db2.gz WPPMTVLYKUJBTQ-QGZVFWFLSA-N 0 1 335.448 2.340 10 30 EEEEMN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCC(=O)Nc1ccc(OC)cc1 ZINC001271067491 1185855344 /nfs/dbraw/zinc/85/53/44/1185855344.db2.gz HDKXYOMOYYZCTM-AWEZNQCLSA-N 0 1 347.459 2.282 10 30 EEEEMN C=CCC1(C(=O)N2CC(NC(=O)CN3CCC(C)CC3)C2)CCCC1 ZINC001745918068 1185984852 /nfs/dbraw/zinc/98/48/52/1185984852.db2.gz WPEGPYWITWIUTD-UHFFFAOYSA-N 0 1 347.503 2.182 10 30 EEEEMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC[C@@H]([C@H](C)NCC#N)C1 ZINC001482474444 1186014767 /nfs/dbraw/zinc/01/47/67/1186014767.db2.gz VTYHKPGNXSCPSI-GXSJLCMTSA-N 0 1 343.353 2.091 10 30 EEEEMN C=CCCC(=O)N1CC[C@H](NCc2nc(CC3CC3)no2)[C@H](C)C1 ZINC001271376816 1186171356 /nfs/dbraw/zinc/17/13/56/1186171356.db2.gz PQGNKFAIOLFAEQ-HIFRSBDPSA-N 0 1 332.448 2.315 10 30 EEEEMN C[C@H]1CN(C(=O)CC#Cc2ccccc2)CC[C@@H]1NCc1ccon1 ZINC001271459843 1186254947 /nfs/dbraw/zinc/25/49/47/1186254947.db2.gz WKWHJEXFBXUGQF-LPHOPBHVSA-N 0 1 337.423 2.443 10 30 EEEEMN CCc1nc(CN[C@H](CNC(=O)c2c[nH]c(C#N)c2)C(C)C)cs1 ZINC001482523391 1186461292 /nfs/dbraw/zinc/46/12/92/1186461292.db2.gz OLMAEIDVVYOHDP-OAHLLOKOSA-N 0 1 345.472 2.449 10 30 EEEEMN CC(C)[C@H](CNC(=O)[C@H]1CCCCO1)NCc1ccccc1C#N ZINC001482523297 1186461708 /nfs/dbraw/zinc/46/17/08/1186461708.db2.gz BJKAXHURXGVOKM-ZWKOTPCHSA-N 0 1 329.444 2.358 10 30 EEEEMN COCC1(C(=O)NC[C@@H](NCc2cc(F)ccc2C#N)C(C)C)CC1 ZINC001482541598 1186617459 /nfs/dbraw/zinc/61/74/59/1186617459.db2.gz GCSIJWMVJNHLPD-QGZVFWFLSA-N 0 1 347.434 2.354 10 30 EEEEMN C=CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C1CC1 ZINC001272017054 1186974108 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342.430 2.386 10 30 EEEEMN COCCCC(=O)N1CCC[C@@H]1CNCc1cc(F)ccc1C#N ZINC001483922959 1191118072 /nfs/dbraw/zinc/11/80/72/1191118072.db2.gz DMRCVVDDVJMXTM-QGZVFWFLSA-N 0 1 333.407 2.205 10 30 EEEEMN C#Cc1cccc(NC(=O)CNC[C@H]2CCCN2C(=O)/C(C)=C\C)c1 ZINC001483925737 1191118820 /nfs/dbraw/zinc/11/88/20/1191118820.db2.gz XRZYKZTWTJXEKL-BXENKHIRSA-N 0 1 339.439 2.153 10 30 EEEEMN C#CCN(C(=O)CCCOCC)C1CCN(Cc2ccccn2)CC1 ZINC001483979808 1191139651 /nfs/dbraw/zinc/13/96/51/1191139651.db2.gz CKLICVNYABPYIT-UHFFFAOYSA-N 0 1 343.471 2.325 10 30 EEEEMN C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C(N)=O)c1 ZINC001484015355 1191156489 /nfs/dbraw/zinc/15/64/89/1191156489.db2.gz BGTGGYBKJZPTEE-MSOLQXFVSA-N 0 1 341.455 2.317 10 30 EEEEMN C=CCCCC(=O)N1CCN([C@H]2CCN(Cc3cccnc3)C2)CC1 ZINC001484024776 1191161741 /nfs/dbraw/zinc/16/17/41/1191161741.db2.gz CHOJVWHRBUBJMD-IBGZPJMESA-N 0 1 342.487 2.156 10 30 EEEEMN C#CCCCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC001484042165 1191174416 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2.166 10 30 EEEEMN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001514879249 1118904916 /nfs/dbraw/zinc/90/49/16/1118904916.db2.gz ZHNAEAPBNWALFF-MELADBBJSA-N 0 1 344.459 2.125 10 30 EEEEMN C=CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc3cncn3c2)C1 ZINC001515002693 1118926155 /nfs/dbraw/zinc/92/61/55/1118926155.db2.gz KDDRKZBMWYLZFK-GOEBONIOSA-N 0 1 340.427 2.315 10 30 EEEEMN CCCc1cc(C(=O)N2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C)n[nH]1 ZINC001520686619 1119187387 /nfs/dbraw/zinc/18/73/87/1119187387.db2.gz GGMANNJFTNRBDE-HIFRSBDPSA-N 0 1 344.459 2.131 10 30 EEEEMN C=CCCCC(=O)NC[C@H]1CCC(C)(C)CN1C(=O)Cc1ccn[nH]1 ZINC001521338787 1119242661 /nfs/dbraw/zinc/24/26/61/1119242661.db2.gz VSGUGELKKURLGK-MRXNPFEDSA-N 0 1 346.475 2.442 10 30 EEEEMN C=CCC(CC=C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CCCN2C)[C@H](C)C1 ZINC001521934158 1119286845 /nfs/dbraw/zinc/28/68/45/1119286845.db2.gz UFLVGNFRUXGVST-KBAYOESNSA-N 0 1 347.503 2.060 10 30 EEEEMN 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1120105774 /nfs/dbraw/zinc/10/57/74/1120105774.db2.gz ADXQUVSLSUJFPW-XJKSGUPXSA-N 0 1 346.475 2.202 10 30 EEEEMN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c[nH]nc21 ZINC001524615539 1120203096 /nfs/dbraw/zinc/20/30/96/1120203096.db2.gz GTOAKTUBCZOQGB-GASCZTMLSA-N 0 1 338.411 2.345 10 30 EEEEMN C=CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)C[C@H]21 ZINC001526258490 1120480822 /nfs/dbraw/zinc/48/08/22/1120480822.db2.gz GIVMLSZFXZZWPJ-LAQFHYBYSA-N 0 1 330.432 2.076 10 30 EEEEMN C#CCCCCC(=O)NC1CCC(NC(=O)[C@H]2CCCCN2C)CC1 ZINC001526310401 1120497183 /nfs/dbraw/zinc/49/71/83/1120497183.db2.gz ODFSHMFQNZWPSE-DAWZGUTISA-N 0 1 347.503 2.208 10 30 EEEEMN C#CCN1CCC(OC(=O)c2ccc(Nc3ccn(C)n3)cc2)CC1 ZINC001526630893 1120556932 /nfs/dbraw/zinc/55/69/32/1120556932.db2.gz WNTYGCRZATVVAI-UHFFFAOYSA-N 0 1 338.411 2.418 10 30 EEEEMN C=C(Cl)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001526676193 1120567580 /nfs/dbraw/zinc/56/75/80/1120567580.db2.gz ZMSCSFUEVBWDKO-OCCSQVGLSA-N 0 1 343.899 2.260 10 30 EEEEMN C=C[C@@H](C(=O)NCCN(C(=O)c1ccn[nH]1)C1CC1)c1ccccc1 ZINC001529776215 1121586555 /nfs/dbraw/zinc/58/65/55/1121586555.db2.gz LHSBKYWWFKKSCF-MRXNPFEDSA-N 0 1 338.411 2.100 10 30 EEEEMN C=C1CC(C)(C(=O)NC[C@@](C)(NC(=O)c2[nH]nc(C)c2C)C2CC2)C1 ZINC001531691292 1122507997 /nfs/dbraw/zinc/50/79/97/1122507997.db2.gz YEUVEDZOLSKYSC-LJQANCHMSA-N 0 1 344.459 2.398 10 30 EEEEMN C=C(C)CCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC001533108876 1123085117 /nfs/dbraw/zinc/08/51/17/1123085117.db2.gz FHBDVUYFPQMTBO-DZGCQCFKSA-N 0 1 344.459 2.269 10 30 EEEEMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1C(=O)c1cc(CCC)[nH]n1 ZINC001535019819 1123487967 /nfs/dbraw/zinc/48/79/67/1123487967.db2.gz BDCUWSUEWDGDDZ-KBXCAEBGSA-N 0 1 332.448 2.295 10 30 EEEEMN C=CC(C)(C)C(=O)N[C@H](CNC(=O)[C@@H]1CCCN1C)C1CCCC1 ZINC001536701431 1123780281 /nfs/dbraw/zinc/78/02/81/1123780281.db2.gz RQJSPQVXJHKILB-CVEARBPZSA-N 0 1 335.492 2.084 10 30 EEEEMN CC#CCCCC(=O)N1CC[C@](C)(CNC(=O)[C@H]2CCCCN2C)C1 ZINC001537063272 1123928619 /nfs/dbraw/zinc/92/86/19/1123928619.db2.gz PWBROHWYRVXXGQ-YLJYHZDGSA-N 0 1 347.503 2.019 10 30 EEEEMN N#Cc1ccccc1CSCCNC(=O)CCN1CC[C@H](F)C1 ZINC001539050477 1124044245 /nfs/dbraw/zinc/04/42/45/1124044245.db2.gz UBPKAOOGLGTESZ-INIZCTEOSA-N 0 1 335.448 2.342 10 30 EEEEMN C#CCN(C)c1nnc(C(C)(C)C)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001539148673 1124046974 /nfs/dbraw/zinc/04/69/74/1124046974.db2.gz MNATUTLBMUBUCC-IYBDPMFKSA-N 0 1 347.507 2.144 10 30 EEEEMN C=C1CC(C)(C(=O)NC[C@H](C)CNCc2nnc(C(C)(C)C)[nH]2)C1 ZINC001568194470 1124349271 /nfs/dbraw/zinc/34/92/71/1124349271.db2.gz XXJBGZANGFPZPD-CYBMUJFWSA-N 0 1 333.480 2.300 10 30 EEEEMN C=CCOCC(=O)NC[C@@H]1CN([C@H]2CCCc3ccccc32)CCO1 ZINC001568215332 1124359362 /nfs/dbraw/zinc/35/93/62/1124359362.db2.gz TVHULWKFGAMSKQ-MJGOQNOKSA-N 0 1 344.455 2.084 10 30 EEEEMN C=CCC[C@@H](C)N1CCO[C@@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001568226873 1124371326 /nfs/dbraw/zinc/37/13/26/1124371326.db2.gz NUJLYNBXCLEXKC-OCCSQVGLSA-N 0 1 342.390 2.064 10 30 EEEEMN C[C@@H](CNCc1ccn(C2CCCC2)n1)N(C)C(=O)CSCC#N ZINC001568259446 1124391332 /nfs/dbraw/zinc/39/13/32/1124391332.db2.gz FQXKYKQDKRCSRD-AWEZNQCLSA-N 0 1 349.504 2.191 10 30 EEEEMN C=CCCCC(=O)N1CC[C@@H](NCc2noc3c2COCC3)[C@@H](C)C1 ZINC001568362991 1124437960 /nfs/dbraw/zinc/43/79/60/1124437960.db2.gz NBLBKSKGXSXBJM-GOEBONIOSA-N 0 1 347.459 2.430 10 30 EEEEMN C=CCC1(C(=O)NC[C@@H](O)CN[C@@H](C)c2cnc(C)cn2)CCCC1 ZINC001568595986 1124623213 /nfs/dbraw/zinc/62/32/13/1124623213.db2.gz OKYAZRNIAGEGGT-HOTGVXAUSA-N 0 1 346.475 2.049 10 30 EEEEMN O=C(NC/C=C\CNCC#Cc1ccccc1)c1cncc2[nH]ccc21 ZINC001568879061 1124903842 /nfs/dbraw/zinc/90/38/42/1124903842.db2.gz AWPGIZLHSXDPAY-PLNGDYQASA-N 0 1 344.418 2.490 10 30 EEEEMN CC(C)n1cc(C(=O)NC/C=C/CNCC#Cc2ccccc2)cn1 ZINC001568945923 1124980202 /nfs/dbraw/zinc/98/02/02/1124980202.db2.gz FFYJHAXVNLHLSP-VOTSOKGWSA-N 0 1 336.439 2.391 10 30 EEEEMN C#CCCOc1ccc(C(=O)N[C@H](C)CNCc2ccns2)cc1 ZINC001568992475 1125027274 /nfs/dbraw/zinc/02/72/74/1125027274.db2.gz ZQAWOEGJKNIBCG-CQSZACIVSA-N 0 1 343.452 2.453 10 30 EEEEMN C#Cc1cccc(NC(=O)CNC[C@H](C)NC(=O)C/C=C(\C)C=C)c1 ZINC001569075269 1125082117 /nfs/dbraw/zinc/08/21/17/1125082117.db2.gz NDEIYNHADBQXBR-KMPOOHAWSA-N 0 1 339.439 2.223 10 30 EEEEMN COCC#CCN(C)C[C@H](C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC001569123084 1125111752 /nfs/dbraw/zinc/11/17/52/1125111752.db2.gz OZXZABQBNXVPIN-WLMCBFPDSA-N 0 1 332.419 2.315 10 30 EEEEMN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2cccc(C(=O)NC)c2)C1 ZINC001569139126 1125122584 /nfs/dbraw/zinc/12/25/84/1125122584.db2.gz ZOBFEFNHCKJYCT-OAHLLOKOSA-N 0 1 343.471 2.339 10 30 EEEEMN CN(CCCNCc1cn(C(C)(C)C)nn1)C(=O)C#CC(C)(C)C ZINC001569201660 1125161306 /nfs/dbraw/zinc/16/13/06/1125161306.db2.gz GXHZSRDVGAUFQB-UHFFFAOYSA-N 0 1 333.480 2.021 10 30 EEEEMN N#Cc1ccc(CN[C@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000352834781 283148335 /nfs/dbraw/zinc/14/83/35/283148335.db2.gz JIMFOMRUGUQMSX-LBPRGKRZSA-N 0 1 332.347 2.244 10 30 EEEEMN N#C[C@@H](C(=O)c1cnn2cc(Br)cnc12)c1ccccn1 ZINC000093244536 237048979 /nfs/dbraw/zinc/04/89/79/237048979.db2.gz DLAPOVBZKSJGJW-SNVBAGLBSA-N 0 1 342.156 2.377 10 30 EEEEMN N#CC(C(=O)c1cnn2cc(Br)cnc12)c1ccccn1 ZINC000093244536 237048982 /nfs/dbraw/zinc/04/89/82/237048982.db2.gz DLAPOVBZKSJGJW-SNVBAGLBSA-N 0 1 342.156 2.377 10 30 EEEEMN COc1c(F)cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1F ZINC000427120429 241379035 /nfs/dbraw/zinc/37/90/35/241379035.db2.gz CDGNEGRPQWMCDT-UHFFFAOYSA-N 0 1 339.323 2.349 10 30 EEEEMN CN1CCN(c2ccnc(-c3noc(-c4cccc(C#N)c4)n3)c2)CC1 ZINC000273762036 256325012 /nfs/dbraw/zinc/32/50/12/256325012.db2.gz DKZBPNTYISFSPV-UHFFFAOYSA-N 0 1 346.394 2.422 10 30 EEEEMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000191187921 152241595 /nfs/dbraw/zinc/24/15/95/152241595.db2.gz VAAYTRJUTMGRML-KYJSFNMBSA-N 0 1 341.411 2.160 10 30 EEEEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F ZINC000174402385 159804407 /nfs/dbraw/zinc/80/44/07/159804407.db2.gz ADCKGUKTGHDRNV-SFHVURJKSA-N 0 1 325.387 2.486 10 30 EEEEMN 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Cn1c2ccc(C(=O)NC3(C#N)CCN(C)CC3)cc2nc1C(F)F ZINC000547319359 468410937 /nfs/dbraw/zinc/41/09/37/468410937.db2.gz GIRUMXBLTCTWQO-UHFFFAOYSA-N 0 1 347.369 2.229 10 30 EEEEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCCCCC#N ZINC000246914675 464632723 /nfs/dbraw/zinc/63/27/23/464632723.db2.gz HORIPJPDIIAYQI-DOTOQJQBSA-N 0 1 329.448 2.285 10 30 EEEEMN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249558803 464890691 /nfs/dbraw/zinc/89/06/91/464890691.db2.gz KWYVOVSIYJCPIH-XIRDDKMYSA-N 0 1 334.485 2.345 10 30 EEEEMN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000351747360 465335582 /nfs/dbraw/zinc/33/55/82/465335582.db2.gz JCIJIUHYOKKSTQ-CYBMUJFWSA-N 0 1 328.416 2.349 10 30 EEEEMN CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000359570580 465461078 /nfs/dbraw/zinc/46/10/78/465461078.db2.gz ZVONNTQSIXSIIE-HBFSDRIKSA-N 0 1 346.519 2.191 10 30 EEEEMN N#Cc1ccc2ncc(CN3CCC[C@@H](N4CCCC4=O)CC3)n2c1 ZINC000591265954 468434389 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C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000660831685 471506204 /nfs/dbraw/zinc/50/62/04/471506204.db2.gz UDWUZADVSWMRQM-OKZBNKHCSA-N 0 1 334.508 2.153 10 30 EEEEMN Cc1nccc([C@H]2CCC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)n1 ZINC000599267426 485622769 /nfs/dbraw/zinc/62/27/69/485622769.db2.gz WOQSUGXIKWEQFY-IRXDYDNUSA-N 0 1 344.459 2.036 10 30 EEEEMN C=CCC[C@@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000673269708 486304348 /nfs/dbraw/zinc/30/43/48/486304348.db2.gz OYMMNSCQRSTRBJ-DLBZAZTESA-N 0 1 329.444 2.021 10 30 EEEEMN N#CC(C(=O)CCCCN1C(=O)c2ccccc2C1=O)c1ccncn1 ZINC000754009591 577798519 /nfs/dbraw/zinc/79/85/19/577798519.db2.gz XWOOKCQZVPMJGO-HNNXBMFYSA-N 0 1 348.362 2.119 10 30 EEEEMN Cn1cc(-c2ncc(C(=O)Nc3cc(C#N)ccc3O)s2)cn1 ZINC000176828696 679422872 /nfs/dbraw/zinc/42/28/72/679422872.db2.gz UZQCKSNYOHFEQW-UHFFFAOYSA-N 0 1 325.353 2.373 10 30 EEEEMN CSCc1n[nH]c(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000894602740 682984040 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C=CCCCCCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001485554948 1191833863 /nfs/dbraw/zinc/83/38/63/1191833863.db2.gz XNEAKPUROOUZEP-MJGOQNOKSA-N 0 1 338.492 2.461 10 30 EEEEMN C=CCCCN1CCO[C@@]2(CCN(C(=O)c3c[nH]nc3C3CC3)C2)C1 ZINC001485557666 1191835403 /nfs/dbraw/zinc/83/54/03/1191835403.db2.gz FTEBXMRTWCHXCZ-IBGZPJMESA-N 0 1 344.459 2.170 10 30 EEEEMN Cc1nc(C)c(CN[C@@H](C)[C@H]2CN(C(=O)C#CC(C)(C)C)CCO2)o1 ZINC001485634103 1191864186 /nfs/dbraw/zinc/86/41/86/1191864186.db2.gz KSLGUTXHYVUFGJ-SUMWQHHRSA-N 0 1 347.459 2.046 10 30 EEEEMN CC#CCCCC(=O)N1CC2(C1)CCCN([C@H](C)c1n[nH]c(C)n1)C2 ZINC001485665028 1191884626 /nfs/dbraw/zinc/88/46/26/1191884626.db2.gz WNWBNAXAXUSWPY-OAHLLOKOSA-N 0 1 343.475 2.292 10 30 EEEEMN C=CCN(CC=C)C(=O)CN1C[C@]2(C)CN(C(=O)CCC)C[C@]2(C)C1 ZINC001485665364 1191885265 /nfs/dbraw/zinc/88/52/65/1191885265.db2.gz JSZZCQYHOYADSM-BGYRXZFFSA-N 0 1 347.503 2.158 10 30 EEEEMN C=CCNC(=O)CN1C[C@]2(C)CN(C(=O)CCCC(C)C)C[C@]2(C)C1 ZINC001485668854 1191889140 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347.503 2.346 10 30 EEEEMN C=C(C)CCC(=O)N[C@H]1CCN(Cc2c(C)nnn2CC)[C@@H](C)C1 ZINC001674136370 1356795283 /nfs/dbraw/zinc/79/52/83/1356795283.db2.gz WLPXCBIKDFUBCR-HOCLYGCPSA-N 0 1 333.480 2.432 10 30 EEEEMN C=CCNC(=O)CN1CC[C@H](NC(=O)C2(CCC)CCC2)C[C@@H]1C ZINC001674142705 1356797800 /nfs/dbraw/zinc/79/78/00/1356797800.db2.gz WCHKNRGJBMRXBJ-HOTGVXAUSA-N 0 1 335.492 2.228 10 30 EEEEMN CC#CCN1CCc2ccccc2[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001674266609 1356808432 /nfs/dbraw/zinc/80/84/32/1356808432.db2.gz IDFLMVRNFMZVMZ-LJQANCHMSA-N 0 1 336.439 2.081 10 30 EEEEMN C=CCN1CCC(CO)(NC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC001674330110 1356818575 /nfs/dbraw/zinc/81/85/75/1356818575.db2.gz JDZIPGVECIKSCV-QGZVFWFLSA-N 0 1 328.456 2.236 10 30 EEEEMN COCC#CCN(C)[C@H](C)CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001675019442 1356925465 /nfs/dbraw/zinc/92/54/65/1356925465.db2.gz DJZZHTJPXALDEO-MRXNPFEDSA-N 0 1 339.439 2.243 10 30 EEEEMN C=CCN(CC=C)C(=O)CN1CCCCC[C@H]1CNC(=O)C(C)C ZINC001675240116 1356948759 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332.448 2.052 10 30 EEEEMN C=CCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001527555371 1120818068 /nfs/dbraw/zinc/81/80/68/1120818068.db2.gz KVPQZFSGJUWEQC-KGLIPLIRSA-N 0 1 346.475 2.443 10 30 EEEEMN C=C[C@H](CC)CC(=O)N1CC[C@H](N(CCC)C(=O)c2ccn[nH]2)C1 ZINC001530000667 1121736953 /nfs/dbraw/zinc/73/69/53/1121736953.db2.gz XJEKBSGZZHDNQG-CABCVRRESA-N 0 1 332.448 2.465 10 30 EEEEMN C=C1CCC(C(=O)N2CC[C@@H](CN(C)C(=O)CN3CCCC3)C2)CC1 ZINC001530189234 1121852289 /nfs/dbraw/zinc/85/22/89/1121852289.db2.gz DIUAPKLHLHEMBY-KRWDZBQOSA-N 0 1 347.503 2.136 10 30 EEEEMN C=C(C)CCC(=O)NC1CN(C(=O)c2sccc2CN(C)C)C1 ZINC001530476030 1121965830 /nfs/dbraw/zinc/96/58/30/1121965830.db2.gz ZTAMKXGZGHJASB-UHFFFAOYSA-N 0 1 335.473 2.107 10 30 EEEEMN C=CCCCC(=O)NCC1CN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001530879109 1122147097 /nfs/dbraw/zinc/14/70/97/1122147097.db2.gz SZHNYMOAEXEYCJ-UHFFFAOYSA-N 0 1 332.448 2.386 10 30 EEEEMN C=CCC1(C(=O)NC[C@@H](CC)NC(=O)CN2CCC(C)CC2)CCC1 ZINC001531462547 1122414018 /nfs/dbraw/zinc/41/40/18/1122414018.db2.gz YQFSLADJOAQUEV-QGZVFWFLSA-N 0 1 349.519 2.476 10 30 EEEEMN C=CCC(C)(C)C(=O)NCC1(NC(=O)CCc2cnc[nH]2)CCCC1 ZINC001531597290 1122467499 /nfs/dbraw/zinc/46/74/99/1122467499.db2.gz XCKAUBFOXIOSAM-UHFFFAOYSA-N 0 1 346.475 2.490 10 30 EEEEMN C=CCC(C)(C)C(=O)N[C@@H](CNC(=O)c1cnn[nH]1)C1CCCCC1 ZINC001532524794 1122784246 /nfs/dbraw/zinc/78/42/46/1122784246.db2.gz CRWMNIUVUKBNNA-AWEZNQCLSA-N 0 1 347.463 2.202 10 30 EEEEMN C=C1CCC(C(=O)NCC=CCNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC001533561177 1123219854 /nfs/dbraw/zinc/21/98/54/1123219854.db2.gz JHEHQLMNRFBRJQ-IHWYPQMZSA-N 0 1 342.443 2.047 10 30 EEEEMN C=CCCCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC001534504861 1123351219 /nfs/dbraw/zinc/35/12/19/1123351219.db2.gz IGCOMVDTHCDYCN-GOEBONIOSA-N 0 1 332.448 2.100 10 30 EEEEMN C=CCCC(=O)N1CC[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](CC)C1 ZINC001534617914 1123362225 /nfs/dbraw/zinc/36/22/25/1123362225.db2.gz AYPWLMDGPYWNKR-ZWKOTPCHSA-N 0 1 349.519 2.428 10 30 EEEEMN C=CCC1(C(=O)N2C[C@H](C)[C@H](NC(=O)CN3CCCC3)C2)CCCC1 ZINC001538567718 1124032023 /nfs/dbraw/zinc/03/20/23/1124032023.db2.gz TYPQBJUKTGVFRA-DLBZAZTESA-N 0 1 347.503 2.182 10 30 EEEEMN COc1ccc(CN2CC[C@@H](N(C)C(=O)C#CC3CC3)C2)cc1C ZINC001567911886 1124174213 /nfs/dbraw/zinc/17/42/13/1124174213.db2.gz QZYAXLJTLYWCBY-GOSISDBHSA-N 0 1 326.440 2.450 10 30 EEEEMN CC#CCCCC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(C(C)C)n2)C1 ZINC001567918854 1124179347 /nfs/dbraw/zinc/17/93/47/1124179347.db2.gz PZLNNBFBUQQMLB-OAHLLOKOSA-N 0 1 331.464 2.154 10 30 EEEEMN C#CCCCC(=O)N(CC)[C@@H]1CCN(Cc2ccnc(N(C)C)c2)C1 ZINC001567935467 1124191796 /nfs/dbraw/zinc/19/17/96/1124191796.db2.gz GTVHDWDOYRCAEE-GOSISDBHSA-N 0 1 342.487 2.374 10 30 EEEEMN C#CCO[C@@H](C)C(=O)NC1(CNCc2ccn(C(C)C)n2)CCCC1 ZINC001567998331 1124223513 /nfs/dbraw/zinc/22/35/13/1124223513.db2.gz ISNNWFYZLOUXNQ-INIZCTEOSA-N 0 1 346.475 2.021 10 30 EEEEMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)CCn2nc(C)cc2C)C1 ZINC001568221027 1124364780 /nfs/dbraw/zinc/36/47/80/1124364780.db2.gz DNMLAWSYILEFNV-FUHWJXTLSA-N 0 1 348.491 2.062 10 30 EEEEMN C#Cc1ccc(C(=O)N(C)[C@H](C)CNCc2cccc(Cl)n2)cn1 ZINC001568312960 1124416119 /nfs/dbraw/zinc/41/61/19/1124416119.db2.gz TVBPQOLGADGTLM-CYBMUJFWSA-N 0 1 342.830 2.362 10 30 EEEEMN COc1nscc1CNC[C@@H](CC(C)C)NC(=O)C#CC(C)C ZINC001568328383 1124421940 /nfs/dbraw/zinc/42/19/40/1124421940.db2.gz BGCHBUYMBDQULX-OAHLLOKOSA-N 0 1 337.489 2.432 10 30 EEEEMN C[C@@H](NCC[C@H]1CCCCN1C(=O)C#CC1CC1)c1ncccn1 ZINC001568383324 1124452884 /nfs/dbraw/zinc/45/28/84/1124452884.db2.gz CRFLSWPASCPFRN-NVXWUHKLSA-N 0 1 326.444 2.312 10 30 EEEEMN C#CCOCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1oc(C)nc1C ZINC001568424920 1124491836 /nfs/dbraw/zinc/49/18/36/1124491836.db2.gz WPOKWWYYAFGIKH-WMLDXEAASA-N 0 1 347.459 2.048 10 30 EEEEMN C=CCC1(C(=O)NC[C@H](O)CN[C@H](C)c2cnc(C)cn2)CCCC1 ZINC001568595987 1124623734 /nfs/dbraw/zinc/62/37/34/1124623734.db2.gz OKYAZRNIAGEGGT-HZPDHXFCSA-N 0 1 346.475 2.049 10 30 EEEEMN Cc1cc(C(=O)N[C@@H](C)CCNCc2cc(F)ccc2C#N)cnn1 ZINC001568626988 1124643265 /nfs/dbraw/zinc/64/32/65/1124643265.db2.gz PCPKWCUXOBYGPB-LBPRGKRZSA-N 0 1 341.390 2.094 10 30 EEEEMN O=C(CC1(O)CCC1)NC/C=C\CNCC#Cc1ccc(Cl)cc1 ZINC001568848114 1124867560 /nfs/dbraw/zinc/86/75/60/1124867560.db2.gz GPUDVQYLMHNZAE-UPHRSURJSA-N 0 1 346.858 2.259 10 30 EEEEMN Cc1cccc(Cl)c1NC(=O)CNC[C@H](C)NC(=O)C#CC(C)C ZINC001569055546 1125068418 /nfs/dbraw/zinc/06/84/18/1125068418.db2.gz DAGPHKPMOLDGGL-AWEZNQCLSA-N 0 1 349.862 2.341 10 30 EEEEMN Cc1sc(NC(=O)CNC[C@H](C)NC(=O)C#CC(C)C)c(C)c1C ZINC001569055870 1125068737 /nfs/dbraw/zinc/06/87/37/1125068737.db2.gz ITSLZDUHZZEVGG-LBPRGKRZSA-N 0 1 349.500 2.366 10 30 EEEEMN CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H](C)c1csc(C)n1)CC2 ZINC000329301334 539770865 /nfs/dbraw/zinc/77/08/65/539770865.db2.gz MWYIAYPICURBQR-MWLCHTKSSA-N 0 1 334.449 2.185 10 30 EEEEMN CCN1CCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329311838 539771201 /nfs/dbraw/zinc/77/12/01/539771201.db2.gz ZUGDAYGLQOKMQT-CQSZACIVSA-N 0 1 333.480 2.047 10 30 EEEEMN C=CCN(Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000179526911 201032184 /nfs/dbraw/zinc/03/21/84/201032184.db2.gz WFARQITWDZFDGF-INIZCTEOSA-N 0 1 331.441 2.252 10 30 EEEEMN Cn1cc(C#N)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000081705001 201358172 /nfs/dbraw/zinc/35/81/72/201358172.db2.gz UWUTWLMTAUFLGU-UHFFFAOYSA-N 0 1 340.402 2.430 10 30 EEEEMN CCOCCN1CCN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1CC ZINC000116769468 152062172 /nfs/dbraw/zinc/06/21/72/152062172.db2.gz WTQIOGUCNJNNSX-IBGZPJMESA-N 0 1 343.471 2.450 10 30 EEEEMN C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)N1CCCC[C@H]1C ZINC000343668124 161156652 /nfs/dbraw/zinc/15/66/52/161156652.db2.gz SSVCUUUAURXUED-OLZOCXBDSA-N 0 1 339.436 2.239 10 30 EEEEMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000359776912 164169749 /nfs/dbraw/zinc/16/97/49/164169749.db2.gz CSSXQENKPFCMLR-LLVKDONJSA-N 0 1 336.461 2.231 10 30 EEEEMN CCOC(=O)C1(COC)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000370109693 166396515 /nfs/dbraw/zinc/39/65/15/166396515.db2.gz GRWSDSUKTBLAEU-UHFFFAOYSA-N 0 1 346.427 2.229 10 30 EEEEMN Cc1cccc2nc(CNS(=O)(=O)c3ccc(C#N)s3)[nH]c21 ZINC000435439882 268059813 /nfs/dbraw/zinc/05/98/13/268059813.db2.gz XTBTZJQQLVKISY-UHFFFAOYSA-N 0 1 332.410 2.283 10 30 EEEEMN Cc1cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)nn1-c1cccc(C#N)c1 ZINC000543744864 318171418 /nfs/dbraw/zinc/17/14/18/318171418.db2.gz KCNITOSPAAWNPY-LJQANCHMSA-N 0 1 349.438 2.219 10 30 EEEEMN COc1ccc(F)cc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000574195199 320004116 /nfs/dbraw/zinc/00/41/16/320004116.db2.gz ONSYOILCNVPPOQ-INIZCTEOSA-N 0 1 330.359 2.235 10 30 EEEEMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000153808813 462695250 /nfs/dbraw/zinc/69/52/50/462695250.db2.gz YUOOMNDHUMGJSJ-DLBZAZTESA-N 0 1 349.519 2.448 10 30 EEEEMN N#Cc1c(Cl)nsc1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000089861150 462729837 /nfs/dbraw/zinc/72/98/37/462729837.db2.gz KJOFSEHUTGZYKB-ZDUSSCGKSA-N 0 1 348.859 2.499 10 30 EEEEMN C=CCc1ccc(OCC(=O)N2[C@H](C)CN(C)C[C@@H]2C)c(OC)c1 ZINC000155315058 462873890 /nfs/dbraw/zinc/87/38/90/462873890.db2.gz UVPYURCSVRMWHA-GASCZTMLSA-N 0 1 332.444 2.354 10 30 EEEEMN C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000120511672 463006526 /nfs/dbraw/zinc/00/65/26/463006526.db2.gz IAGFDQXYAWYKBE-GOEBONIOSA-N 0 1 345.443 2.131 10 30 EEEEMN C=CCCOCCNC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000122557133 463274506 /nfs/dbraw/zinc/27/45/06/463274506.db2.gz PLCRWABCGXGDNE-OAHLLOKOSA-N 0 1 329.404 2.094 10 30 EEEEMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2COc3ccccc32)c(F)c1 ZINC000124783805 463463858 /nfs/dbraw/zinc/46/38/58/463463858.db2.gz KXUJGBUHKXSQOV-CYBMUJFWSA-N 0 1 336.319 2.248 10 30 EEEEMN COc1cc(C#N)ccc1OCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152416523 463687429 /nfs/dbraw/zinc/68/74/29/463687429.db2.gz WVWXEVHFASHJSN-KRWDZBQOSA-N 0 1 339.395 2.494 10 30 EEEEMN C=CCN(CC=C)[C@@H](CNS(=O)(=O)N1CCC[C@@H]1C)C(C)C ZINC000188081697 464195997 /nfs/dbraw/zinc/19/59/97/464195997.db2.gz ICZXBUKCGDYCGJ-HOTGVXAUSA-N 0 1 329.510 2.004 10 30 EEEEMN C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000245632415 464500768 /nfs/dbraw/zinc/50/07/68/464500768.db2.gz IELCSWHDANLBEM-RTBURBONSA-N 0 1 347.418 2.168 10 30 EEEEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000175396500 464540213 /nfs/dbraw/zinc/54/02/13/464540213.db2.gz OYHJBIVOQOCEAK-CYBMUJFWSA-N 0 1 341.864 2.316 10 30 EEEEMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(C#N)ccc1Br ZINC000191782929 464826939 /nfs/dbraw/zinc/82/69/39/464826939.db2.gz AZZBTLMIIFBKEL-JQWIXIFHSA-N 0 1 336.233 2.407 10 30 EEEEMN Cn1c(=O)c2ccc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2[nH]c1=S ZINC000295624481 464907326 /nfs/dbraw/zinc/90/73/26/464907326.db2.gz WHCBFGXDSVCVBH-JQWIXIFHSA-N 0 1 342.424 2.034 10 30 EEEEMN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000356763287 465525353 /nfs/dbraw/zinc/52/53/53/465525353.db2.gz AMHWAOYJQRYFIJ-SJKOYZFVSA-N 0 1 332.404 2.165 10 30 EEEEMN 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30 EEEEMN C=C(C)CCC(=O)NC[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001529302407 1121397411 /nfs/dbraw/zinc/39/74/11/1121397411.db2.gz AOVDSKGCOXDHCA-AWEZNQCLSA-N 0 1 332.448 2.151 10 30 EEEEMN C=C(C)C(C)(C)C(=O)NCCCN(C(=O)c1[nH]nnc1C)C(C)C ZINC001529944371 1121690289 /nfs/dbraw/zinc/69/02/89/1121690289.db2.gz WVKPDLKJPOTHAQ-UHFFFAOYSA-N 0 1 335.452 2.072 10 30 EEEEMN C=CCCCC(=O)NC1CN(C(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001530615697 1122032287 /nfs/dbraw/zinc/03/22/87/1122032287.db2.gz BORNSVOVEJSTQM-UHFFFAOYSA-N 0 1 336.823 2.237 10 30 EEEEMN C=CCCC(=O)NCC1CN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001530713570 1122073387 /nfs/dbraw/zinc/07/33/87/1122073387.db2.gz DMKSMNKONURDJJ-UHFFFAOYSA-N 0 1 326.400 2.026 10 30 EEEEMN C=CCCCC(=O)N[C@](C)(CNC(=O)c1[nH]nc(C)c1C)C1CC1 ZINC001531769051 1122546526 /nfs/dbraw/zinc/54/65/26/1122546526.db2.gz ZCNWEYOXPHGVCQ-GOSISDBHSA-N 0 1 332.448 2.398 10 30 EEEEMN C#CCCCCCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn[nH]1 ZINC001532599884 1122829173 /nfs/dbraw/zinc/82/91/73/1122829173.db2.gz UOBUEMXLKXHWQW-DOTOQJQBSA-N 0 1 344.459 2.350 10 30 EEEEMN C=CCC(C)(C)C(=O)NC[C@@H](NC(=O)[C@H]1CCCCN1C)C(C)C ZINC001532735400 1122912738 /nfs/dbraw/zinc/91/27/38/1122912738.db2.gz DCRWBXIKKSNMNS-HZPDHXFCSA-N 0 1 337.508 2.330 10 30 EEEEMN C=CCC1(C(=O)NC[C@H](C)NC(=O)CCc2cnc[nH]2)CCCCC1 ZINC001534205542 1123303931 /nfs/dbraw/zinc/30/39/31/1123303931.db2.gz FSEQQTBJKUALPN-HNNXBMFYSA-N 0 1 346.475 2.490 10 30 EEEEMN C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001534481206 1123337106 /nfs/dbraw/zinc/33/71/06/1123337106.db2.gz LNXNIYGVZKBAIX-DLBZAZTESA-N 0 1 349.519 2.476 10 30 EEEEMN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1C(=O)c1cc(CCC)[nH]n1 ZINC001535019822 1123488058 /nfs/dbraw/zinc/48/80/58/1123488058.db2.gz BDCUWSUEWDGDDZ-RDTXWAMCSA-N 0 1 332.448 2.295 10 30 EEEEMN C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c(C)cccc1C ZINC001567856375 1124140472 /nfs/dbraw/zinc/14/04/72/1124140472.db2.gz PNLJDJCTAJDFTL-ROUUACIJSA-N 0 1 326.440 2.128 10 30 EEEEMN C#CCCN1CC[C@H](N(CC)C(=O)C(=O)Nc2c(C)cccc2C)C1 ZINC001567945835 1124200044 /nfs/dbraw/zinc/20/00/44/1124200044.db2.gz WZSIPJRUMUEKDW-KRWDZBQOSA-N 0 1 341.455 2.188 10 30 EEEEMN C=CCCCN1CCO[C@@H](CNC(=O)c2ccnn2C2CCCC2)C1 ZINC001568220188 1124363118 /nfs/dbraw/zinc/36/31/18/1124363118.db2.gz LQPYJGNNYNSLEJ-KRWDZBQOSA-N 0 1 346.475 2.395 10 30 EEEEMN C=CCC[C@@H](C)N1CCO[C@@H](CNC(=O)c2cc(C3CC3)on2)C1 ZINC001568221389 1124365471 /nfs/dbraw/zinc/36/54/71/1124365471.db2.gz MGIQDXVHKDMVOP-HIFRSBDPSA-N 0 1 333.432 2.337 10 30 EEEEMN C=C(Cl)CNC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC001568284805 1124404323 /nfs/dbraw/zinc/40/43/23/1124404323.db2.gz TXYNSTGDRUXCNB-NSHDSACASA-N 0 1 344.242 2.468 10 30 EEEEMN O=C(C#CC1CC1)N[C@@H]1CCC[C@@H]1CNCc1nc2c(o1)CCCC2 ZINC001568524990 1124588635 /nfs/dbraw/zinc/58/86/35/1124588635.db2.gz WZSAUYLXWLWANU-HZPDHXFCSA-N 0 1 341.455 2.341 10 30 EEEEMN C[C@H](C#N)C(=O)N[C@H](C)CCNCc1nnc(-c2cccc(F)c2)o1 ZINC001568612455 1124633769 /nfs/dbraw/zinc/63/37/69/1124633769.db2.gz NBEUUCHWCUHRLT-VXGBXAGGSA-N 0 1 345.378 2.020 10 30 EEEEMN C[C@H](CCNCc1ncc(C(C)(C)C)o1)NC(=O)c1ccc(C#N)[nH]1 ZINC001568624075 1124641720 /nfs/dbraw/zinc/64/17/20/1124641720.db2.gz ZGPQHWATZSAWON-GFCCVEGCSA-N 0 1 343.431 2.470 10 30 EEEEMN C#Cc1ccccc1CC(=O)N[C@@H](C)CCNCc1cc(C)on1 ZINC001568702735 1124717594 /nfs/dbraw/zinc/71/75/94/1124717594.db2.gz CXIWDGUFXMELLM-AWEZNQCLSA-N 0 1 325.412 2.191 10 30 EEEEMN O=C(C[C@H]1CCCCO1)NC/C=C/CNCC#Cc1ccc(F)cc1 ZINC001568835454 1124854609 /nfs/dbraw/zinc/85/46/09/1124854609.db2.gz ZIYLCVOFAYIBDV-LSTKMXGYSA-N 0 1 344.430 2.398 10 30 EEEEMN CCc1nc(C(=O)NC/C=C\CNCc2ccc(C#N)cc2F)co1 ZINC001568840324 1124859851 /nfs/dbraw/zinc/85/98/51/1124859851.db2.gz WISZVLSBAVJOOM-ARJAWSKDSA-N 0 1 342.374 2.324 10 30 EEEEMN COCC1(C(=O)NC/C=C\CNCc2cc(C#N)ccc2F)CCC1 ZINC001568887922 1124914533 /nfs/dbraw/zinc/91/45/33/1124914533.db2.gz ISWBBGQSMPWFCK-IHWYPQMZSA-N 0 1 345.418 2.276 10 30 EEEEMN C=CC(C)(C)C(=O)NC/C=C/CNCc1cnc(C(F)(F)F)nc1 ZINC001568898042 1124927162 /nfs/dbraw/zinc/92/71/62/1124927162.db2.gz HSVGUNAUONWTEL-AATRIKPKSA-N 0 1 342.365 2.470 10 30 EEEEMN C=CCNC(=O)CNC/C=C/CNC(=O)c1cccc2ccsc21 ZINC001568944147 1124977337 /nfs/dbraw/zinc/97/73/37/1124977337.db2.gz DZSKACYRJVPEDZ-ONEGZZNKSA-N 0 1 343.452 2.079 10 30 EEEEMN COCC#CCN(C)C[C@@H](C)NC(=O)Cc1coc2ccccc12 ZINC001569144050 1125125343 /nfs/dbraw/zinc/12/53/43/1125125343.db2.gz QHWWRTGGTQUGRI-OAHLLOKOSA-N 0 1 328.412 2.062 10 30 EEEEMN C=CCN1CC[C@@H](N(C)C[C@@H](C)NC(=O)c2ccccc2Cl)C1=O ZINC001569148964 1125128959 /nfs/dbraw/zinc/12/89/59/1125128959.db2.gz SLQWGJXOAXIUDA-CZUORRHYSA-N 0 1 349.862 2.177 10 30 EEEEMN C#Cc1ccccc1CC(=O)N[C@H](CN[C@H](C)c1cnccn1)C1CC1 ZINC001569326120 1125231220 /nfs/dbraw/zinc/23/12/20/1125231220.db2.gz JCNTZEVMCHNYPZ-FOIQADDNSA-N 0 1 348.450 2.246 10 30 EEEEMN C=CCC1(C(=O)NC[C@H]2C[C@@H](NCc3ncnn3CC)C2)CCCC1 ZINC001565857882 1125439099 /nfs/dbraw/zinc/43/90/99/1125439099.db2.gz 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/nfs/dbraw/zinc/84/23/34/1333842334.db2.gz MCMKLTHRKHFNAR-FQEVSTJZSA-N 0 1 343.471 2.271 10 30 EEEEMN C=CCC[C@H](C)N1CC(O)(CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001325224742 1333850112 /nfs/dbraw/zinc/85/01/12/1333850112.db2.gz LCGCCDZBGJAFAL-KBPBESRZSA-N 0 1 330.419 2.330 10 30 EEEEMN C=CCC[C@H](C)N1CC(O)(CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001325247892 1333853000 /nfs/dbraw/zinc/85/30/00/1333853000.db2.gz YZSIQUKVRZDMEM-ZDUSSCGKSA-N 0 1 345.418 2.438 10 30 EEEEMN C=C(C)CCC(=O)N[C@]1(CO)CCCN(Cc2cnccc2C)C1 ZINC001325832117 1333969710 /nfs/dbraw/zinc/96/97/10/1333969710.db2.gz BCLSUGUCIHOONY-LJQANCHMSA-N 0 1 331.460 2.189 10 30 EEEEMN C=CCOCCCC(=O)N1CCC[C@H]2CN(Cc3cc(C)no3)C[C@H]21 ZINC001325935099 1334000098 /nfs/dbraw/zinc/00/00/98/1334000098.db2.gz LFJBINAQDWEVAH-FUHWJXTLSA-N 0 1 347.459 2.389 10 30 EEEEMN C=CCCN1CC2(C1)CC[C@H](CNC(=O)CCc1cncs1)O2 ZINC001327362668 1334276746 /nfs/dbraw/zinc/27/67/46/1334276746.db2.gz BIIYNFFRROEDPI-CQSZACIVSA-N 0 1 335.473 2.001 10 30 EEEEMN CCC(=O)N1CCC[C@@](CO)(NCC#Cc2ccc(Cl)cc2)C1 ZINC001327543031 1334312650 /nfs/dbraw/zinc/31/26/50/1334312650.db2.gz ZOVGLORSOUBUOK-GOSISDBHSA-N 0 1 334.847 2.045 10 30 EEEEMN COc1ccnc(CN[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C)c1 ZINC001327860624 1334356449 /nfs/dbraw/zinc/35/64/49/1334356449.db2.gz JDDYDHSWXQGAAW-YOEHRIQHSA-N 0 1 329.444 2.076 10 30 EEEEMN C#CCC1(C(=O)N2C[C@@H](C)[C@@H](NCc3ccn(C)n3)C2)CCCCC1 ZINC001327959086 1334370522 /nfs/dbraw/zinc/37/05/22/1334370522.db2.gz PWYZESCXJUTIHE-AEFFLSMTSA-N 0 1 342.487 2.330 10 30 EEEEMN COCC#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC001328097706 1334395218 /nfs/dbraw/zinc/39/52/18/1334395218.db2.gz IGSSRHFJCRCNJE-GOSISDBHSA-N 0 1 328.456 2.475 10 30 EEEEMN C#CCCCC(=O)N[C@H]1CCN(CC(=O)N2CCCCCC2)[C@H](C)C1 ZINC001328241613 1334423422 /nfs/dbraw/zinc/42/34/22/1334423422.db2.gz UAHLIBAWSKEMES-MSOLQXFVSA-N 0 1 347.503 2.162 10 30 EEEEMN C=CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C(=O)c1ccccc1F ZINC001328706085 1334503221 /nfs/dbraw/zinc/50/32/21/1334503221.db2.gz VXWVOEFCMATQTN-HUUCEWRRSA-N 0 1 347.434 2.053 10 30 EEEEMN C#CCN(C)C[C@H]1CCCN1C(=O)[C@](C)(OC)c1ccccc1F ZINC001328738833 1334512224 /nfs/dbraw/zinc/51/22/24/1334512224.db2.gz ZVKAEHOTUCVOCX-DNVCBOLYSA-N 0 1 332.419 2.243 10 30 EEEEMN C[C@H](NCC1CC(NC(=O)CC#Cc2ccccc2)C1)c1ncccn1 ZINC001328960207 1334556605 /nfs/dbraw/zinc/55/66/05/1334556605.db2.gz CPVBGIGWRRMFCI-IVMQYODDSA-N 0 1 348.450 2.464 10 30 EEEEMN C#CCCCC(=O)N(C)CC(C)(C)CNCc1nnc(C(C)(C)C)[nH]1 ZINC001329291738 1334621190 /nfs/dbraw/zinc/62/11/90/1334621190.db2.gz JPWNQXAGMJSWQF-UHFFFAOYSA-N 0 1 347.507 2.480 10 30 EEEEMN C=C1CC(C)(C(=O)N(C)CC(C)(C)CNCc2nnnn2CCC)C1 ZINC001329335291 1334629321 /nfs/dbraw/zinc/62/93/21/1334629321.db2.gz KIKQPDOKGBIBCS-UHFFFAOYSA-N 0 1 348.495 2.014 10 30 EEEEMN C#CCCCC(=O)NC[C@H](C)N(C)C[C@H](O)c1ccc(F)cc1F ZINC001329430155 1334648693 /nfs/dbraw/zinc/64/86/93/1334648693.db2.gz XHABEVUBFMBHKZ-GUYCJALGSA-N 0 1 338.398 2.238 10 30 EEEEMN COCC#CCN(C)[C@H](C)CNC(=O)c1cc(F)cc2cccnc21 ZINC001329575534 1334676864 /nfs/dbraw/zinc/67/68/64/1334676864.db2.gz VEYOLNUPDXQNCC-CQSZACIVSA-N 0 1 343.402 2.074 10 30 EEEEMN C=CCN1CC[C@H](N(C)[C@H](C)CNC(=O)c2cc(C)ccc2C)C1=O ZINC001329602030 1334682654 /nfs/dbraw/zinc/68/26/54/1334682654.db2.gz XXGVRYRHIQRGAL-AEFFLSMTSA-N 0 1 343.471 2.140 10 30 EEEEMN C=CCN1CC[C@H](N2CCCCC[C@H]2CNC(=O)CCCC)C1=O ZINC001329909824 1334737469 /nfs/dbraw/zinc/73/74/69/1334737469.db2.gz WCGSZUSGZPAHBW-IRXDYDNUSA-N 0 1 335.492 2.324 10 30 EEEEMN CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)CSCC#N ZINC001330175253 1334794559 /nfs/dbraw/zinc/79/45/59/1334794559.db2.gz IXXHVSZYMNEDNZ-INIZCTEOSA-N 0 1 342.468 2.142 10 30 EEEEMN CC1(C)CN(Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)CSCC#N ZINC001330175253 1334794562 /nfs/dbraw/zinc/79/45/62/1334794562.db2.gz IXXHVSZYMNEDNZ-INIZCTEOSA-N 0 1 342.468 2.142 10 30 EEEEMN C#CCCCC(=O)N1CCO[C@H]([C@H](C)NC/C(Cl)=C/Cl)C1 ZINC001330384736 1334833694 /nfs/dbraw/zinc/83/36/94/1334833694.db2.gz ROCHIJCLQRKSSI-LOKCTGBGSA-N 0 1 333.259 2.314 10 30 EEEEMN C=CC(C)(C)CC(=O)N1CCO[C@@H]([C@@H](C)NCc2cnc(C)o2)C1 ZINC001330406023 1334838380 /nfs/dbraw/zinc/83/83/80/1334838380.db2.gz UOTMGIICKIPQJS-CZUORRHYSA-N 0 1 335.448 2.291 10 30 EEEEMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cc(F)ccc1F ZINC001331560525 1335036549 /nfs/dbraw/zinc/03/65/49/1335036549.db2.gz LYHICAOSJYWCGA-MJEQTWJJSA-N 0 1 338.398 2.492 10 30 EEEEMN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cnnn2CC)CCCC1 ZINC001331666208 1335054836 /nfs/dbraw/zinc/05/48/36/1335054836.db2.gz QRLQIOGKYIGEOD-HNNXBMFYSA-N 0 1 333.480 2.371 10 30 EEEEMN CC/C=C(/C)C(=O)NC[C@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC001331685029 1335058627 /nfs/dbraw/zinc/05/86/27/1335058627.db2.gz RFQNIOJFQVSWEM-OTMHGDBASA-N 0 1 334.847 2.115 10 30 EEEEMN C=CCC1(C(=O)NC[C@H](CO)NCc2cncc(C)c2)CCCCC1 ZINC001331833402 1335652451 /nfs/dbraw/zinc/65/24/51/1335652451.db2.gz BQPFXUCBMPRBGL-GOSISDBHSA-N 0 1 345.487 2.483 10 30 EEEEMN C#CC1(NC(=O)NCc2ccccc2N2CCN(C)CC2)CCCC1 ZINC001331933834 1335680032 /nfs/dbraw/zinc/68/00/32/1335680032.db2.gz SKABNWMBUABFGG-UHFFFAOYSA-N 0 1 340.471 2.184 10 30 EEEEMN C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001332311124 1335799738 /nfs/dbraw/zinc/79/97/38/1335799738.db2.gz SBNXNHHUJSRETL-GXTWGEPZSA-N 0 1 330.432 2.124 10 30 EEEEMN C=C1CCC(C(=O)N(C)C[C@H](O)CNCc2cc(C3CC3)no2)CC1 ZINC001332565482 1335850823 /nfs/dbraw/zinc/85/08/23/1335850823.db2.gz CSNTVKGWAYTART-MRXNPFEDSA-N 0 1 347.459 2.207 10 30 EEEEMN CC#CCN(C)CCN(C(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC001332740170 1335895744 /nfs/dbraw/zinc/89/57/44/1335895744.db2.gz DALBOPGXTSHJHW-UHFFFAOYSA-N 0 1 330.428 2.264 10 30 EEEEMN CC(C)(C)[C@H](CNCc1cc2n(n1)CCCC2)NC(=O)C#CC1CC1 ZINC001332792749 1335908202 /nfs/dbraw/zinc/90/82/02/1335908202.db2.gz URZHHCYSGPUSIM-SFHVURJKSA-N 0 1 342.487 2.253 10 30 EEEEMN C#CCOCCC(=O)NC1(C2CCN(Cc3cncs3)CC2)CC1 ZINC001333180457 1335977480 /nfs/dbraw/zinc/97/74/80/1335977480.db2.gz GINNRORXJRFYFV-UHFFFAOYSA-N 0 1 347.484 2.044 10 30 EEEEMN C=C[C@@](C)(O)CC(=O)NCC1=CCN(CCc2csc(C)n2)CC1 ZINC001333329492 1336009947 /nfs/dbraw/zinc/00/99/47/1336009947.db2.gz VCNIPJFFAXASDE-GOSISDBHSA-N 0 1 349.500 2.069 10 30 EEEEMN N#Cc1cccc(CN2CC=C(CNC(=O)Cc3cnoc3)CC2)c1 ZINC001333394910 1336033021 /nfs/dbraw/zinc/03/30/21/1336033021.db2.gz KWPDEBWDACDYIO-UHFFFAOYSA-N 0 1 336.395 2.037 10 30 EEEEMN CC#CCN1CC=C(CNC(=O)COc2ccc(C)cc2C)CC1 ZINC001333449133 1336050038 /nfs/dbraw/zinc/05/00/38/1336050038.db2.gz ZQWKYEJLDWTYMP-UHFFFAOYSA-N 0 1 326.440 2.454 10 30 EEEEMN C#CCNCc1ccc(CNC(=O)Cc2nc(C)sc2C)c(F)c1 ZINC001333473404 1336055462 /nfs/dbraw/zinc/05/54/62/1336055462.db2.gz OLRNJWDATBOQLD-UHFFFAOYSA-N 0 1 345.443 2.481 10 30 EEEEMN CCCc1cc(C(=O)N(C)CC(C)(C)CNC(=O)C#CC(C)C)n[nH]1 ZINC001334073712 1336201862 /nfs/dbraw/zinc/20/18/62/1336201862.db2.gz FKLVUGZKCOJYBS-UHFFFAOYSA-N 0 1 346.475 2.236 10 30 EEEEMN C[C@H](CNC(=O)c1cccc2nc[nH]c21)N(C)C(=O)C#CC(C)(C)C ZINC001334488963 1336260527 /nfs/dbraw/zinc/26/05/27/1336260527.db2.gz PNQKLGPFGUKRFB-CYBMUJFWSA-N 0 1 340.427 2.189 10 30 EEEEMN C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001338097724 1336791255 /nfs/dbraw/zinc/79/12/55/1336791255.db2.gz SFCANXOBEKDQPL-HOTGVXAUSA-N 0 1 349.519 2.426 10 30 EEEEMN C#CCCCCC(=O)N1CCC[C@H](NC(=O)CCc2cnc[nH]2)[C@H]1C ZINC001338284331 1336832430 /nfs/dbraw/zinc/83/24/30/1336832430.db2.gz UKPFTLYDJXYEAR-WBVHZDCISA-N 0 1 344.459 2.032 10 30 EEEEMN C=CCn1c(-c2cnc3cc[nH]cc-3c2=O)nnc1N(C)C1CCC1 ZINC001338798424 1336909645 /nfs/dbraw/zinc/90/96/45/1336909645.db2.gz LTVRFUROZJHCKS-UHFFFAOYSA-N 0 1 336.399 2.356 10 30 EEEEMN C=CCCC(=O)N1C[C@@H](NC(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001339702930 1337057533 /nfs/dbraw/zinc/05/75/33/1337057533.db2.gz QCDRFHWRFLDQMC-SJORKVTESA-N 0 1 335.492 2.180 10 30 EEEEMN C=CCn1c(C2=NC(=O)SC2)nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001342240593 1337311658 /nfs/dbraw/zinc/31/16/58/1337311658.db2.gz BSBYUWIZYRHZLK-MNOVXSKESA-N 0 1 349.485 2.483 10 30 EEEEMN C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001346538186 1337486064 /nfs/dbraw/zinc/48/60/64/1337486064.db2.gz UBSJAJQHJGGTLY-BRWVUGGUSA-N 0 1 335.492 2.038 10 30 EEEEMN C#CCN1CCC(OC(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC001347391949 1337508143 /nfs/dbraw/zinc/50/81/43/1337508143.db2.gz NVUUFTBKXWWXFY-UHFFFAOYSA-N 0 1 327.409 2.460 10 30 EEEEMN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001350697380 1337739523 /nfs/dbraw/zinc/73/95/23/1337739523.db2.gz XRHYDKRJGFMMPC-GDBMZVCRSA-N 0 1 346.475 2.250 10 30 EEEEMN C#CCN1CCC(NC(=O)Nc2ccc(C(=O)OC)cc2C)CC1 ZINC001351131583 1337789038 /nfs/dbraw/zinc/78/90/38/1337789038.db2.gz XXCDMXIAJMQEJB-UHFFFAOYSA-N 0 1 329.400 2.001 10 30 EEEEMN C=CCC(C)(C)C(=O)N(C)CCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001351524025 1337822093 /nfs/dbraw/zinc/82/20/93/1337822093.db2.gz HNRLTEZPZXXTCK-AWEZNQCLSA-N 0 1 346.475 2.397 10 30 EEEEMN C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001352873678 1338092598 /nfs/dbraw/zinc/09/25/98/1338092598.db2.gz GSVFYQQPBAXJHU-KGLIPLIRSA-N 0 1 344.459 2.222 10 30 EEEEMN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCc1cnc[nH]1 ZINC000847514929 1338126394 /nfs/dbraw/zinc/12/63/94/1338126394.db2.gz HBCQOIBOLFAVCM-CYBMUJFWSA-N 0 1 335.408 2.003 10 30 EEEEMN C[C@H](CNC(=O)C#CC(C)(C)C)N[C@H](C)C(=O)N(C)c1ccccc1 ZINC001480460801 1338231568 /nfs/dbraw/zinc/23/15/68/1338231568.db2.gz YUXKPWJXZFNKPQ-HZPDHXFCSA-N 0 1 343.471 2.182 10 30 EEEEMN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001353628654 1338308067 /nfs/dbraw/zinc/30/80/67/1338308067.db2.gz QJYQEMXUWXFRJV-KKUMJFAQSA-N 0 1 341.471 2.032 10 30 EEEEMN C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 ZINC001354010697 1338389959 /nfs/dbraw/zinc/38/99/59/1338389959.db2.gz DDRXIRPIOWRCOB-OCCSQVGLSA-N 0 1 347.463 2.072 10 30 EEEEMN Cc1n[nH]c(C(=O)N[C@H](CNC(=O)C#CC(C)(C)C)CC(C)C)c1C ZINC001357041569 1338940644 /nfs/dbraw/zinc/94/06/44/1338940644.db2.gz FNPYXGNCKCASGS-HNNXBMFYSA-N 0 1 346.475 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C#Cc1cccc(NC(=O)CNCCN(C)C(=O)/C=C(\C)CC)c1 ZINC001267368901 1178863234 /nfs/dbraw/zinc/86/32/34/1178863234.db2.gz ITBXBWKTFYSYEN-NTCAYCPXSA-N 0 1 327.428 2.011 10 30 EEEEMN COCC#CCN[C@H](CNC(=O)C1(CF)CCC1)c1ccccc1 ZINC001267369892 1178866875 /nfs/dbraw/zinc/86/68/75/1178866875.db2.gz JEGGHGYGXNFWDS-QGZVFWFLSA-N 0 1 332.419 2.223 10 30 EEEEMN N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001267388997 1178952284 /nfs/dbraw/zinc/95/22/84/1178952284.db2.gz HXGDSWOSAACTAQ-CALCHBBNSA-N 0 1 329.469 2.161 10 30 EEEEMN Cc1cc(C(=O)N(C)CCNCC#Cc2ccccc2)nn1C(C)C ZINC001267481210 1179133042 /nfs/dbraw/zinc/13/30/42/1179133042.db2.gz XDJQXOXQOARHQL-UHFFFAOYSA-N 0 1 338.455 2.486 10 30 EEEEMN C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCN(Cc2ccnc(OC)n2)C1 ZINC001267563055 1179369226 /nfs/dbraw/zinc/36/92/26/1179369226.db2.gz QOFDEVRSPJMSBA-OAHLLOKOSA-N 0 1 346.475 2.416 10 30 EEEEMN CN(CCNCc1cc(C#N)ccc1F)C(=O)c1cc(C2CC2)n[nH]1 ZINC001691486092 1179578021 /nfs/dbraw/zinc/57/80/21/1179578021.db2.gz 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C=CCCC(=O)N(CCCNC(=O)c1[nH]nc2c1CCC2)C(C)C ZINC001745608187 1182239109 /nfs/dbraw/zinc/23/91/09/1182239109.db2.gz UPHIPTJEUKUYMI-UHFFFAOYSA-N 0 1 332.448 2.222 10 30 EEEEMN C=CCC(C)(C)C(=O)N1CC[C@@H](N(CCC)C(=O)c2ccn[nH]2)C1 ZINC001745655083 1182339407 /nfs/dbraw/zinc/33/94/07/1182339407.db2.gz HAHSYGHMXKAUBU-CQSZACIVSA-N 0 1 332.448 2.465 10 30 EEEEMN C=CCC(CC=C)C(=O)N1CC[C@@H](CN(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001745723108 1182480502 /nfs/dbraw/zinc/48/05/02/1182480502.db2.gz MUDGUHSCFWKWNT-HNNXBMFYSA-N 0 1 344.459 2.407 10 30 EEEEMN CCN(C(=O)Cc1ccccc1C)[C@@H]1CCN(CC#CCOC)C1 ZINC001481778655 1182680385 /nfs/dbraw/zinc/68/03/85/1182680385.db2.gz KUCHCMARMJUWCA-LJQANCHMSA-N 0 1 328.456 2.110 10 30 EEEEMN CC[C@H](CNC(=O)C#CC(C)C)NCC(=O)Nc1cccc(Cl)c1 ZINC001481810342 1182724939 /nfs/dbraw/zinc/72/49/39/1182724939.db2.gz QTQBNXGVUHXEQA-OAHLLOKOSA-N 0 1 349.862 2.422 10 30 EEEEMN C#CCO[C@H](C)C(=O)NC[C@@H](CC)NCc1nsc2ccccc12 ZINC001481810524 1182726300 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Cc1cc(C(=O)N(C)CCCNCc2cc(F)ccc2C#N)cnn1 ZINC001268789055 1183704410 /nfs/dbraw/zinc/70/44/10/1183704410.db2.gz HOWZIXGTTDHJDU-UHFFFAOYSA-N 0 1 341.390 2.048 10 30 EEEEMN C#CCCCC(=O)N[C@]12CCC[C@H]1N([C@@H](C)C(=O)NC(C)(C)C)CC2 ZINC001486152235 1193702262 /nfs/dbraw/zinc/70/22/62/1193702262.db2.gz QALHOPBZYJTSCF-YRNRMSPPSA-N 0 1 347.503 2.206 10 30 EEEEMN C=CCC[C@H](C)N1CCO[C@@H](CNC(=O)CCc2nccs2)C1 ZINC001482207595 1184004370 /nfs/dbraw/zinc/00/43/70/1184004370.db2.gz WQUKUQDCIMTSBB-GJZGRUSLSA-N 0 1 337.489 2.247 10 30 EEEEMN C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CCN(CCc2ccns2)C1 ZINC001269222327 1184073143 /nfs/dbraw/zinc/07/31/43/1184073143.db2.gz WAXFWZFGEZDNHL-GJZGRUSLSA-N 0 1 337.489 2.200 10 30 EEEEMN C=CCOCCN1CC[C@H](N(CC)C(=O)c2onc3c2CCCC3)C1 ZINC001269339006 1184188889 /nfs/dbraw/zinc/18/88/89/1184188889.db2.gz ILUNDPMGJOHXQL-HNNXBMFYSA-N 0 1 347.459 2.292 10 30 EEEEMN C=C[C@@](C)(O)CC(=O)NC[C@H](CC)NCc1nc(C)c(C)s1 ZINC001269396210 1184232060 /nfs/dbraw/zinc/23/20/60/1184232060.db2.gz 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C=C(Cl)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001482400107 1185619006 /nfs/dbraw/zinc/61/90/06/1185619006.db2.gz FPYJMXJHFCSLHJ-HIFRSBDPSA-N 0 1 338.883 2.388 10 30 EEEEMN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2nnc(C(C)(C)C)[nH]2)C1 ZINC001691517292 1185626289 /nfs/dbraw/zinc/62/62/89/1185626289.db2.gz JIOKQUROAOXROW-HDJSIYSDSA-N 0 1 333.480 2.443 10 30 EEEEMN C=C(C)CCC(=O)NCC1(C)CCN(CC(=O)NC(C)(C)C)CC1 ZINC001270885483 1185654622 /nfs/dbraw/zinc/65/46/22/1185654622.db2.gz KSHHQEBEDFWNIP-UHFFFAOYSA-N 0 1 337.508 2.476 10 30 EEEEMN C=C1CCC(C(=O)NCC2(C)CCN(CC(=O)N(C)C)CC2)CC1 ZINC001270906965 1185720563 /nfs/dbraw/zinc/72/05/63/1185720563.db2.gz UMVQRAFBHHMXMW-UHFFFAOYSA-N 0 1 335.492 2.039 10 30 EEEEMN C#Cc1ccc(C(=O)NC[C@@]2(C)CCCN(Cc3cccnc3)C2)nc1 ZINC001271007681 1185806169 /nfs/dbraw/zinc/80/61/69/1185806169.db2.gz QDUXFZBBLRKEJH-OAQYLSRUSA-N 0 1 348.450 2.490 10 30 EEEEMN C=C[C@H](CC)CC(=O)N1CCC[C@H](C2CCN(CC(N)=O)CC2)C1 ZINC001271437794 1186223177 /nfs/dbraw/zinc/22/31/77/1186223177.db2.gz JNMUEQRIXNMYCD-WBVHZDCISA-N 0 1 335.492 2.025 10 30 EEEEMN C#CCN1CCC(N(Cc2ccccn2)C(=O)[C@H](CCC)OC)CC1 ZINC001271827318 1186528749 /nfs/dbraw/zinc/52/87/49/1186528749.db2.gz VWSZEVGAIRENST-IBGZPJMESA-N 0 1 343.471 2.323 10 30 EEEEMN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)Cc1ncccc1F ZINC001485824223 1193453750 /nfs/dbraw/zinc/45/37/50/1193453750.db2.gz JFOJCMININYPNX-HNNXBMFYSA-N 0 1 325.815 2.342 10 30 EEEEMN C#CCCCCC(=O)N1CCC[C@H]2[C@H]1CCN2CC(=O)NC(C)(C)C ZINC001272016988 1186973961 /nfs/dbraw/zinc/97/39/61/1186973961.db2.gz VIXDVRHWHCQHGW-DLBZAZTESA-N 0 1 347.503 2.160 10 30 EEEEMN COCC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)cc(C)n1 ZINC001272023199 1187030721 /nfs/dbraw/zinc/03/07/21/1187030721.db2.gz GDYUGKOFUCHQNQ-OALUTQOASA-N 0 1 341.455 2.027 10 30 EEEEMN C=C(Br)CN1CC[C@H]2CN(C(=O)CCCOC)CC[C@H]21 ZINC001482658821 1187501712 /nfs/dbraw/zinc/50/17/12/1187501712.db2.gz WALWNMAAKMRXSF-UONOGXRCSA-N 0 1 345.281 2.244 10 30 EEEEMN C#CCN1C[C@@H]2CCCN(C(=O)CN(CC)c3ccccc3)[C@@H]2C1 ZINC001272091467 1187587211 /nfs/dbraw/zinc/58/72/11/1187587211.db2.gz UXVMKUUQLNKOQS-PKOBYXMFSA-N 0 1 325.456 2.069 10 30 EEEEMN C=C(C)CCC(=O)NC[C@@H](O)CN[C@@H](C)c1ccc(F)cc1F ZINC001482735185 1187690532 /nfs/dbraw/zinc/69/05/32/1187690532.db2.gz NHUHQXCNOUAXLJ-JSGCOSHPSA-N 0 1 326.387 2.449 10 30 EEEEMN C=C1CC(C)(C(=O)NC[C@@H](O)CNCc2ccc(F)cc2Cl)C1 ZINC001482767616 1187712188 /nfs/dbraw/zinc/71/21/88/1187712188.db2.gz USYOTQAYHGNDMC-AWEZNQCLSA-N 0 1 340.826 2.402 10 30 EEEEMN C#CCN(CCO)[C@@H]1CCCN(C(=O)C2(CC=C)CCCCC2)C1 ZINC001691535601 1187724400 /nfs/dbraw/zinc/72/44/00/1187724400.db2.gz HZCNQDNIBQNXSW-GOSISDBHSA-N 0 1 332.488 2.432 10 30 EEEEMN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1cn(-c2ccccc2)nn1 ZINC001482860682 1187774503 /nfs/dbraw/zinc/77/45/03/1187774503.db2.gz KMARPRLKQQOIAE-HNNXBMFYSA-N 0 1 341.459 2.464 10 30 EEEEMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1N(C)C ZINC001272110802 1187912833 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C[C@H](CN(C)C(=O)C#CC(C)(C)C)N[C@H](C)C(=O)Nc1ccccc1 ZINC001485872367 1193626430 /nfs/dbraw/zinc/62/64/30/1193626430.db2.gz IHJNFLXFTBOMIH-HZPDHXFCSA-N 0 1 343.471 2.500 10 30 EEEEMN Cc1ncc(CC(=O)N[C@@H](C)[C@H](C)NCc2ccc(C#N)cc2F)o1 ZINC001409369081 1189588475 /nfs/dbraw/zinc/58/84/75/1189588475.db2.gz MFCHSYCEFZDXTO-RYUDHWBXSA-N 0 1 344.390 2.219 10 30 EEEEMN C=C(Br)CN[C@@H](C)CN(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001485873895 1193626638 /nfs/dbraw/zinc/62/66/38/1193626638.db2.gz SJKHKHPZVSEAKG-GUBZILKMSA-N 0 1 325.197 2.233 10 30 EEEEMN C=C(Br)CN[C@H](C)[C@@H](C)NC(=O)c1cc(OCC)no1 ZINC001409377195 1189598248 /nfs/dbraw/zinc/59/82/48/1189598248.db2.gz LELJDKZMPKPMQB-NXEZZACHSA-N 0 1 346.225 2.078 10 30 EEEEMN Cc1cc(C#N)cc(C)c1CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000905668461 1189839212 /nfs/dbraw/zinc/83/92/12/1189839212.db2.gz PMWJWQJYOZAZDF-IAGOWNOFSA-N 0 1 343.471 2.333 10 30 EEEEMN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2ocnc2C)CCOCC1 ZINC001485951691 1193646933 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/nfs/dbraw/zinc/28/42/74/1191284274.db2.gz AEQGXQHPKLEEIB-MRXNPFEDSA-N 0 1 328.334 2.116 10 30 EEEEMN C=C1CC(C)(C(=O)N(CCO)CCNCc2cc(C)ccc2F)C1 ZINC001484493123 1191382024 /nfs/dbraw/zinc/38/20/24/1191382024.db2.gz CXGDOMABXLIVMN-UHFFFAOYSA-N 0 1 334.435 2.401 10 30 EEEEMN Cc1ncc(CN[C@H](C)c2ccc(CNC(=O)[C@@H](C)C#N)cc2)cn1 ZINC001484561300 1191416228 /nfs/dbraw/zinc/41/62/28/1191416228.db2.gz YAMVISFZYPYIDW-UONOGXRCSA-N 0 1 337.427 2.412 10 30 EEEEMN CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001484714402 1191479127 /nfs/dbraw/zinc/47/91/27/1191479127.db2.gz VJNGEMULYIGPCX-ZWKOTPCHSA-N 0 1 347.503 2.018 10 30 EEEEMN CC(C)C#CC(=O)N[C@@H]1CCCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001484714402 1191479129 /nfs/dbraw/zinc/47/91/29/1191479129.db2.gz VJNGEMULYIGPCX-ZWKOTPCHSA-N 0 1 347.503 2.018 10 30 EEEEMN C=CCC1(C(=O)N[C@@H]2CCCN(CC(=O)NCC)CC2)CCCC1 ZINC001484729337 1191488605 /nfs/dbraw/zinc/48/86/05/1191488605.db2.gz KYJSNNPJGSSAGP-MRXNPFEDSA-N 0 1 335.492 2.230 10 30 EEEEMN C=C(C)CN1CC2(C1)CN(C(=O)c1cc(CCCCC)[nH]n1)CCO2 ZINC001484779591 1191517592 /nfs/dbraw/zinc/51/75/92/1191517592.db2.gz URFPGVUEKHJQTN-UHFFFAOYSA-N 0 1 346.475 2.245 10 30 EEEEMN C=CCCCN1CC2(C1)CC[C@H](CNC(=O)c1c(C)ccn1C)O2 ZINC001484785561 1191520361 /nfs/dbraw/zinc/52/03/61/1191520361.db2.gz URIMQKRRGGTADK-MRXNPFEDSA-N 0 1 331.460 2.263 10 30 EEEEMN C=C(Cl)CN[C@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H]1C ZINC001484893904 1191566448 /nfs/dbraw/zinc/56/64/48/1191566448.db2.gz YSQXHAZEXKAIHS-ONGXEEELSA-N 0 1 328.762 2.144 10 30 EEEEMN C=CCC[C@H](C)N1CC2(C1)C[C@H](NC(=O)c1cnc(C)nc1C)CO2 ZINC001484804294 1191534805 /nfs/dbraw/zinc/53/48/05/1191534805.db2.gz IVAVNPHVCQXFLP-BBRMVZONSA-N 0 1 344.459 2.021 10 30 EEEEMN C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC001484937466 1191581114 /nfs/dbraw/zinc/58/11/14/1191581114.db2.gz ONMFUBTWCFXIJB-GOEBONIOSA-N 0 1 347.503 2.084 10 30 EEEEMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](NC(=O)C2(C)CC2)C[C@H]1C ZINC001484971881 1191597257 /nfs/dbraw/zinc/59/72/57/1191597257.db2.gz JBDBAPBVVSWITP-HZPDHXFCSA-N 0 1 335.492 2.180 10 30 EEEEMN C=C(Cl)CN(CCCNC(=O)c1cnn2c1OCCC2)C(C)C ZINC001493861868 1191611807 /nfs/dbraw/zinc/61/18/07/1191611807.db2.gz GUZBTIHIGBBYEO-UHFFFAOYSA-N 0 1 340.855 2.248 10 30 EEEEMN CC#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C2CC2)n(C)n1 ZINC001485043859 1191623933 /nfs/dbraw/zinc/62/39/33/1191623933.db2.gz SWBXITKXQMFSAI-YLJYHZDGSA-N 0 1 348.450 2.306 10 30 EEEEMN CC#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cscn1 ZINC001485044633 1191624272 /nfs/dbraw/zinc/62/42/72/1191624272.db2.gz VRWCTUCFNRHUAU-SJLPKXTDSA-N 0 1 325.437 2.081 10 30 EEEEMN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)CCCNC(=O)C1CC1 ZINC001485037278 1191626992 /nfs/dbraw/zinc/62/69/92/1191626992.db2.gz LQLZWFVSYVQJTG-HNNXBMFYSA-N 0 1 341.883 2.016 10 30 EEEEMN C=CCN1CC[C@H](N(C)C[C@H]2CCCN2C(=O)/C(C)=C/CC)C1=O ZINC001485051333 1191631730 /nfs/dbraw/zinc/63/17/30/1191631730.db2.gz MSTRIQGKFFZGFO-HHHZRULFSA-N 0 1 333.476 2.052 10 30 EEEEMN CCc1onc(C)c1CN[C@H](C)[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001485138723 1191669544 /nfs/dbraw/zinc/66/95/44/1191669544.db2.gz HSJJECGXNULTGC-GHMZBOCLSA-N 0 1 329.404 2.042 10 30 EEEEMN C=C(Br)CN[C@H](C)[C@H](C)NC(=O)c1cnn(C)c1Cl ZINC001485162055 1191674832 /nfs/dbraw/zinc/67/48/32/1191674832.db2.gz FABCSJXTJGTTCG-BDAKNGLRSA-N 0 1 349.660 2.079 10 30 EEEEMN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C(C)C)nc1C ZINC001485301322 1191726382 /nfs/dbraw/zinc/72/63/82/1191726382.db2.gz VYKGCKYOCOSZCO-WBVHZDCISA-N 0 1 345.487 2.488 10 30 EEEEMN C=CCN1CC[C@H](N(C)[C@H](C)CNC(=O)c2ccoc2C(C)C)C1=O ZINC001485391472 1191770616 /nfs/dbraw/zinc/77/06/16/1191770616.db2.gz UEAACVLCQATAFD-ZBFHGGJFSA-N 0 1 347.459 2.240 10 30 EEEEMN C=C(Cl)CNC[C@H](CCCC)NC(=O)[C@H]1CCCC(=O)N1C ZINC001485470699 1191801350 /nfs/dbraw/zinc/80/13/50/1191801350.db2.gz PSGCSFXONTZOFE-UONOGXRCSA-N 0 1 329.872 2.014 10 30 EEEEMN C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1nc2ccccc2cc1C ZINC001486291324 1193800401 /nfs/dbraw/zinc/80/04/01/1193800401.db2.gz QBOMUKUNYHEXSR-OAHLLOKOSA-N 0 1 347.846 2.318 10 30 EEEEMN CCC[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001486327398 1193822759 /nfs/dbraw/zinc/82/27/59/1193822759.db2.gz ASFPNIREIOLKLE-UONOGXRCSA-N 0 1 337.489 2.307 10 30 EEEEMN CCC[C@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1ccc(C#N)s1 ZINC001486327398 1193822763 /nfs/dbraw/zinc/82/27/63/1193822763.db2.gz ASFPNIREIOLKLE-UONOGXRCSA-N 0 1 337.489 2.307 10 30 EEEEMN C#CCO[C@@H](C)C(=O)N[C@@H](CNCc1oc(CC)nc1C)C(C)(C)C ZINC001486397103 1193897233 /nfs/dbraw/zinc/89/72/33/1193897233.db2.gz JBGXJIKIEPLHKG-HOCLYGCPSA-N 0 1 349.475 2.204 10 30 EEEEMN C#CCC1(C(=O)N[C@@H](C)C2CCN([C@@H](C)C(N)=O)CC2)CCCCC1 ZINC001486451591 1193966546 /nfs/dbraw/zinc/96/65/46/1193966546.db2.gz RLCJJTOINAGCBL-HOTGVXAUSA-N 0 1 347.503 2.051 10 30 EEEEMN CC#CCN1CC=C(CNC(=O)Cc2cc(C)ccc2OC)CC1 ZINC001486512048 1194031011 /nfs/dbraw/zinc/03/10/11/1194031011.db2.gz VAVQPIFEOMILTD-UHFFFAOYSA-N 0 1 326.440 2.318 10 30 EEEEMN C#CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(CCC)[nH]n1 ZINC001486563313 1194077575 /nfs/dbraw/zinc/07/75/75/1194077575.db2.gz LTLCPRDOJWSBFY-INIZCTEOSA-N 0 1 344.459 2.229 10 30 EEEEMN C#CCC1(C(=O)N[C@H](C)[C@H](C)NC(=O)c2[nH]ncc2F)CCCCC1 ZINC001486714305 1194185345 /nfs/dbraw/zinc/18/53/45/1194185345.db2.gz GBVLGNCAGSITDQ-QWHCGFSZSA-N 0 1 348.422 2.146 10 30 EEEEMN C#CCCCC(=O)N[C@H]1CCN(C[C@@H](O)c2ccccc2F)[C@@H]1C ZINC001691664190 1194286198 /nfs/dbraw/zinc/28/61/98/1194286198.db2.gz KRXZFXURECJFPS-FHLIZLRMSA-N 0 1 332.419 2.242 10 30 EEEEMN C=CC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001486873083 1197042806 /nfs/dbraw/zinc/04/28/06/1197042806.db2.gz FSSFQQMRNZRNNO-CYBMUJFWSA-N 0 1 346.475 2.468 10 30 EEEEMN C=C(C)CCC(=O)N1C[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C(C)(C)C1 ZINC001487260844 1197329103 /nfs/dbraw/zinc/32/91/03/1197329103.db2.gz VNZHWSNWBRIMNU-HOCLYGCPSA-N 0 1 346.475 2.298 10 30 EEEEMN CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](C)NCc1ccc(C#N)cc1F ZINC001410378777 1197773286 /nfs/dbraw/zinc/77/32/86/1197773286.db2.gz JDXWNCZMVORFGN-JOQOYGCGSA-N 0 1 347.434 2.449 10 30 EEEEMN CCN(CCNCc1csc([N+](=O)[O-])c1)C(=O)c1c[nH]c(C#N)c1 ZINC001273341881 1198245566 /nfs/dbraw/zinc/24/55/66/1198245566.db2.gz VGTTVRPHEGUUKF-UHFFFAOYSA-N 0 1 347.400 2.108 10 30 EEEEMN C[C@@H](CN1CCN(C)CC1)Nc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865524937 1198258500 /nfs/dbraw/zinc/25/85/00/1198258500.db2.gz QJKKIXVYRDIIDY-NSHDSACASA-N 0 1 327.354 2.020 10 30 EEEEMN C#C[C@H]1CC[C@H](NC(=O)N2CCN(c3cc(OC)ccn3)CC2)CC1 ZINC000873288430 1198551920 /nfs/dbraw/zinc/55/19/20/1198551920.db2.gz FQZRTFXZBJEROF-WKILWMFISA-N 0 1 342.443 2.114 10 30 EEEEMN C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cccc2scnc21 ZINC001411063786 1198745020 /nfs/dbraw/zinc/74/50/20/1198745020.db2.gz KICVAPDROCMALL-NSHDSACASA-N 0 1 339.848 2.071 10 30 EEEEMN COCCN(CCNC(=O)C1CC(C)C1)Cc1ccc(C#N)cc1 ZINC001411219712 1198929188 /nfs/dbraw/zinc/92/91/88/1198929188.db2.gz XNMIHEARXARYNK-UHFFFAOYSA-N 0 1 329.444 2.169 10 30 EEEEMN C#CCCCC(=O)N1CC[C@@]2(CCN(Cc3ccc(OC)nc3)C2)C1 ZINC001671070178 1199023805 /nfs/dbraw/zinc/02/38/05/1199023805.db2.gz LBIKKTYUSNYMAE-HXUWFJFHSA-N 0 1 341.455 2.318 10 30 EEEEMN C#Cc1cccc(NC(=O)NCc2n[nH]c(C3CCOCC3)n2)c1 ZINC000875989014 1199463357 /nfs/dbraw/zinc/46/33/57/1199463357.db2.gz BAXJLYPZPAUQFZ-UHFFFAOYSA-N 0 1 325.372 2.002 10 30 EEEEMN CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000876803537 1199778764 /nfs/dbraw/zinc/77/87/64/1199778764.db2.gz WUPPISJPGXOGAD-DNVCBOLYSA-N 0 1 348.406 2.474 10 30 EEEEMN COCc1nc(Cl)cc(NN=C(CO)c2ccc(F)cc2F)n1 ZINC000814976558 1199816532 /nfs/dbraw/zinc/81/65/32/1199816532.db2.gz CYGQCOJTVALBCN-UHFFFAOYSA-N 0 1 342.733 2.363 10 30 EEEEMN N#C[C@H](NC(=O)CCc1c[nH]nn1)c1ccc(OC(F)(F)F)cc1 ZINC001137127106 1200227341 /nfs/dbraw/zinc/22/73/41/1200227341.db2.gz NCDRGAHBXXRWOQ-LBPRGKRZSA-N 0 1 339.277 2.017 10 30 EEEEMN N#C[C@H](NC(=O)CCc1cnn[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC001137127106 1200227348 /nfs/dbraw/zinc/22/73/48/1200227348.db2.gz NCDRGAHBXXRWOQ-LBPRGKRZSA-N 0 1 339.277 2.017 10 30 EEEEMN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NOc1cccc(C#N)c1 ZINC000870692906 1200816072 /nfs/dbraw/zinc/81/60/72/1200816072.db2.gz RFHCJCNWKMPHMC-LBPRGKRZSA-N 0 1 333.388 2.471 10 30 EEEEMN CC[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)N1CCO[C@@H](CC)C1 ZINC000871071252 1201036753 /nfs/dbraw/zinc/03/67/53/1201036753.db2.gz BZJDZGGEEMGHRO-XJKSGUPXSA-N 0 1 341.415 2.262 10 30 EEEEMN CCN(CCc1nccs1)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867975127 1201718045 /nfs/dbraw/zinc/71/80/45/1201718045.db2.gz ITHHJDZXDJEXOU-KRWDZBQOSA-N 0 1 340.452 2.293 10 30 EEEEMN C=CC[C@@H](Sc1nc(-c2ccc3c(c2)OCCO3)n[nH]1)C(=O)OC ZINC000882153585 1201823645 /nfs/dbraw/zinc/82/36/45/1201823645.db2.gz QZXOWEQQLRBLSO-CYBMUJFWSA-N 0 1 347.396 2.453 10 30 EEEEMN C#CCC1(O)CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 ZINC000882524517 1201889403 /nfs/dbraw/zinc/88/94/03/1201889403.db2.gz SEWCDNIFGMQBCS-SFHVURJKSA-N 0 1 328.456 2.446 10 30 EEEEMN C=C(C)C[C@H](CO)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000883155834 1202022583 /nfs/dbraw/zinc/02/25/83/1202022583.db2.gz UZZSZFNPSMQVEA-GOSISDBHSA-N 0 1 349.450 2.416 10 30 EEEEMN C=CCCn1cc(CNCC[C@H]2CCC3(CCOCC3)CO2)nn1 ZINC000886299219 1202489691 /nfs/dbraw/zinc/48/96/91/1202489691.db2.gz UBMJEHIVABRKRS-QGZVFWFLSA-N 0 1 334.464 2.310 10 30 EEEEMN CC#CCCCC(=O)N1CCC[C@H](C)[C@H]1CCNCc1cnn(C)n1 ZINC001691726659 1204225217 /nfs/dbraw/zinc/22/52/17/1204225217.db2.gz CBGHMQRWCFHADQ-FUHWJXTLSA-N 0 1 345.491 2.116 10 30 EEEEMN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)CC1(C)C ZINC001274445323 1205040302 /nfs/dbraw/zinc/04/03/02/1205040302.db2.gz HKVRZILEQQUATK-HUUCEWRRSA-N 0 1 333.480 2.432 10 30 EEEEMN CC(C)OCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@@H](C)C1 ZINC001274596507 1205091272 /nfs/dbraw/zinc/09/12/72/1205091272.db2.gz IFTBNMIEAOGCBT-HKUYNNGSSA-N 0 1 328.456 2.432 10 30 EEEEMN C=CC(C)(C)CC(=O)N[C@H](C)CNCC(=O)Nc1nc(C)cs1 ZINC001274773306 1205158419 /nfs/dbraw/zinc/15/84/19/1205158419.db2.gz LZVPFGQPWIMNHV-LLVKDONJSA-N 0 1 338.477 2.087 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