smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nn2cc(Br)cnc2c1S(=O)(=O)N(CCC#N)Cc1ccccn1 ZINC001474943071 1069313710 /nfs/dbraw/zinc/31/37/10/1069313710.db2.gz PMPRKQYHYGMDJF-UHFFFAOYSA-N 0 0 451.306 2.000 20 30 JDEDRN CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC001501014374 1069357447 /nfs/dbraw/zinc/35/74/47/1069357447.db2.gz NWHXDUKNKKUMAS-LJQANCHMSA-N 0 0 485.614 1.547 20 30 JDEDRN CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1=O ZINC001501034747 1069365900 /nfs/dbraw/zinc/36/59/00/1069365900.db2.gz IKVIFMTVAJNQEC-UHFFFAOYSA-N 0 0 474.587 1.612 20 30 JDEDRN CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1=O ZINC001501035088 1069365946 /nfs/dbraw/zinc/36/59/46/1069365946.db2.gz KIPACXZVZGZSCI-UHFFFAOYSA-N 0 0 474.587 1.612 20 30 JDEDRN C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC001475128395 1069368938 /nfs/dbraw/zinc/36/89/38/1069368938.db2.gz RCNMJJDYVYKSND-UHFFFAOYSA-N 0 0 450.604 1.049 20 30 JDEDRN CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)c2ccccc2c1=O ZINC001501075385 1069377128 /nfs/dbraw/zinc/37/71/28/1069377128.db2.gz JSVBGLHICOLTHX-JOCHJYFZSA-N 0 0 488.474 1.888 20 30 JDEDRN CCCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)c2ccccc2c1=O ZINC001501075901 1069377619 /nfs/dbraw/zinc/37/76/19/1069377619.db2.gz PSQIMJAIVLSQJB-HSZRJFAPSA-N 0 0 498.613 1.744 20 30 JDEDRN CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)c2ccccc2c1=O ZINC001501078725 1069380000 /nfs/dbraw/zinc/38/00/00/1069380000.db2.gz KTKZKPGSUATKEU-SFHVURJKSA-N 0 0 492.584 1.956 20 30 JDEDRN CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)c2ccccc2c1=O ZINC001501076054 1069378327 /nfs/dbraw/zinc/37/83/27/1069378327.db2.gz RDNJHBKEMYJVKH-NRFANRHFSA-N 0 0 488.549 1.056 20 30 JDEDRN CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)C(=O)NCC)c2ccccc2c1=O ZINC001501078624 1069379408 /nfs/dbraw/zinc/37/94/08/1069379408.db2.gz HZSCFWBISHHEAG-KRWDZBQOSA-N 0 0 492.584 1.956 20 30 JDEDRN COCCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC001475180723 1069385261 /nfs/dbraw/zinc/38/52/61/1069385261.db2.gz YHWNFMZKQIYEOD-NVXWUHKLSA-N 0 0 452.533 1.100 20 30 JDEDRN COCc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001475180834 1069385928 /nfs/dbraw/zinc/38/59/28/1069385928.db2.gz ZWHONRYXODBSNW-HZPDHXFCSA-N 0 0 453.517 1.657 20 30 JDEDRN CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001501154476 1069417594 /nfs/dbraw/zinc/41/75/94/1069417594.db2.gz MWRNLOZPTFVJDK-UHFFFAOYSA-N 0 0 453.547 1.464 20 30 JDEDRN CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001475260831 1069416236 /nfs/dbraw/zinc/41/62/36/1069416236.db2.gz FKCMYTTWBQMJGI-SFHVURJKSA-N 0 0 450.952 1.711 20 30 JDEDRN CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001501156915 1069418954 /nfs/dbraw/zinc/41/89/54/1069418954.db2.gz HFDNMOOULDESHJ-SFHVURJKSA-N 0 0 459.576 1.251 20 30 JDEDRN CCCNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501168361 1069428572 /nfs/dbraw/zinc/42/85/72/1069428572.db2.gz WLWAHCQLUQDVDB-IBGZPJMESA-N 0 0 452.563 1.682 20 30 JDEDRN CCCNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001501180704 1069436575 /nfs/dbraw/zinc/43/65/75/1069436575.db2.gz OJHPCHUJBHQGIA-FPOVZHCZSA-N 0 0 482.589 1.512 20 30 JDEDRN CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001501190590 1069443670 /nfs/dbraw/zinc/44/36/70/1069443670.db2.gz HQNFXDJZENFHPP-UHFFFAOYSA-N 0 0 472.557 1.583 20 30 JDEDRN CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001501190440 1069443910 /nfs/dbraw/zinc/44/39/10/1069443910.db2.gz BRFQZXQECPDJLN-UHFFFAOYSA-N 0 0 492.628 1.868 20 30 JDEDRN CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001501202732 1069452908 /nfs/dbraw/zinc/45/29/08/1069452908.db2.gz ZNRYJEXUJXTBSI-QGZVFWFLSA-N 0 0 454.510 1.093 20 30 JDEDRN CCCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 ZINC001501205001 1069455380 /nfs/dbraw/zinc/45/53/80/1069455380.db2.gz USLXHIVJUXOMHL-DLBZAZTESA-N 0 0 461.567 1.648 20 30 JDEDRN CCCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001501210146 1069458995 /nfs/dbraw/zinc/45/89/95/1069458995.db2.gz DQAGQQJVJOQSIV-UHFFFAOYSA-N 0 0 475.601 1.944 20 30 JDEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1Br ZINC001475420248 1069463920 /nfs/dbraw/zinc/46/39/20/1069463920.db2.gz NITISIQWTRKZDD-GFCCVEGCSA-N 0 0 457.327 1.834 20 30 JDEDRN CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001501218783 1069466394 /nfs/dbraw/zinc/46/63/94/1069466394.db2.gz WBIQKRINSXNLLQ-WIYYLYMNSA-N 0 0 467.574 1.412 20 30 JDEDRN CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001501224182 1069470667 /nfs/dbraw/zinc/47/06/67/1069470667.db2.gz QGMCRSLWCAGVEB-GMAHTHKFSA-N 0 0 481.601 1.722 20 30 JDEDRN COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCn2c(Cc3ccccc3F)nnc2C1 ZINC001475462229 1069471788 /nfs/dbraw/zinc/47/17/88/1069471788.db2.gz PNMYTJYCIYATCH-UHFFFAOYSA-N 0 0 455.471 1.871 20 30 JDEDRN CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1OC ZINC001501263081 1069479116 /nfs/dbraw/zinc/47/91/16/1069479116.db2.gz ZVPUSCLDVLXFGS-ZWKOTPCHSA-N 0 0 475.571 1.755 20 30 JDEDRN CCC[C@@H]1C[C@H]1n1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501347957 1069498190 /nfs/dbraw/zinc/49/81/90/1069498190.db2.gz PCUFCJWHHYTZOM-CGTJXYLNSA-N 0 0 458.592 1.843 20 30 JDEDRN CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001501389139 1069501848 /nfs/dbraw/zinc/50/18/48/1069501848.db2.gz JDWVPGWJDSQAII-UHFFFAOYSA-N 0 0 453.547 1.814 20 30 JDEDRN C[C@@H](CC#N)N(C)S(=O)(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001475634861 1069510515 /nfs/dbraw/zinc/51/05/15/1069510515.db2.gz ICTHBIBQIZRPPE-KRWDZBQOSA-N 0 0 452.577 1.949 20 30 JDEDRN CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001501420933 1069519932 /nfs/dbraw/zinc/51/99/32/1069519932.db2.gz GHVSKBIFSCRRBC-LJQANCHMSA-N 0 0 474.587 1.183 20 30 JDEDRN CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001501421792 1069524544 /nfs/dbraw/zinc/52/45/44/1069524544.db2.gz WPUUFUCXCFSLMV-NRFANRHFSA-N 0 0 499.641 1.242 20 30 JDEDRN CC(C)(C)OC(=O)N1CCC2(C[C@H](CNS(=O)(=O)c3ccc(C#N)nc3)OC2=O)CC1 ZINC001475699495 1069529224 /nfs/dbraw/zinc/52/92/24/1069529224.db2.gz MBOMFZDOOKSRHB-OAHLLOKOSA-N 0 0 450.517 1.564 20 30 JDEDRN CCN(C)C(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001501430634 1069530130 /nfs/dbraw/zinc/53/01/30/1069530130.db2.gz ZWVQQOXYUOUJQP-HXUWFJFHSA-N 0 0 451.575 1.727 20 30 JDEDRN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001475722505 1069533936 /nfs/dbraw/zinc/53/39/36/1069533936.db2.gz RKWMUTLYTZHRKA-CQSZACIVSA-N 0 0 453.492 1.728 20 30 JDEDRN CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001501432808 1069532090 /nfs/dbraw/zinc/53/20/90/1069532090.db2.gz WMCZSSNIWDOJHT-RBUKOAKNSA-N 0 0 451.531 1.454 20 30 JDEDRN CCOC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 ZINC001475717641 1069533421 /nfs/dbraw/zinc/53/34/21/1069533421.db2.gz VEYJUXWDYVTZHZ-LRDDRELGSA-N 0 0 477.358 1.185 20 30 JDEDRN N#C[C@]12CN(S(=O)(=O)c3cccc(COCC(F)(F)C(F)F)c3)C[C@H]1CS(=O)(=O)C2 ZINC001475744368 1069538760 /nfs/dbraw/zinc/53/87/60/1069538760.db2.gz ANRXAGQTUCEUAH-XJKSGUPXSA-N 0 0 470.466 1.662 20 30 JDEDRN N#Cc1cc(S(=O)(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)ccc1C(F)(F)F ZINC001475731315 1069536340 /nfs/dbraw/zinc/53/63/40/1069536340.db2.gz NTWKJRNTVPCCIG-UHFFFAOYSA-N 0 0 453.450 1.733 20 30 JDEDRN Cc1ccc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1I ZINC001475744566 1069538850 /nfs/dbraw/zinc/53/88/50/1069538850.db2.gz DQGQJFCNEAZFAG-SMDDNHRTSA-N 0 0 466.322 1.159 20 30 JDEDRN N#CCC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)CC1 ZINC001475747972 1069540747 /nfs/dbraw/zinc/54/07/47/1069540747.db2.gz BULRNQZJSHCDKR-CQSZACIVSA-N 0 0 459.309 1.788 20 30 JDEDRN CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 ZINC001501566321 1069553456 /nfs/dbraw/zinc/55/34/56/1069553456.db2.gz APVJNOLVJSTGCO-ZCNNSNEGSA-N 0 0 459.572 1.882 20 30 JDEDRN C#CCOCCN(C)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 ZINC001475803247 1069551239 /nfs/dbraw/zinc/55/12/39/1069551239.db2.gz LVHCPFOCCOWKDD-UHFFFAOYSA-N 0 0 451.282 1.657 20 30 JDEDRN CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001501566660 1069553567 /nfs/dbraw/zinc/55/35/67/1069553567.db2.gz LNFYTPWHWKUDAG-HKUYNNGSSA-N 0 0 492.627 1.112 20 30 JDEDRN Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)c1C#N ZINC001475813170 1069552877 /nfs/dbraw/zinc/55/28/77/1069552877.db2.gz KLKJZQCZSARASV-UHFFFAOYSA-N 0 0 456.938 1.544 20 30 JDEDRN CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001501566885 1069554162 /nfs/dbraw/zinc/55/41/62/1069554162.db2.gz UACNNUTXAGKXBF-RTBURBONSA-N 0 0 477.612 1.797 20 30 JDEDRN CCOc1ccc(NC(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001475845147 1069561970 /nfs/dbraw/zinc/56/19/70/1069561970.db2.gz PYSHRWJRSSIOJE-UHFFFAOYSA-N 0 0 452.533 1.548 20 30 JDEDRN CCOc1ccc(NC(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)N(CC)CC ZINC001475871756 1069567235 /nfs/dbraw/zinc/56/72/35/1069567235.db2.gz SHMNUXQRSDNKJC-UHFFFAOYSA-N 0 0 451.549 1.706 20 30 JDEDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C1 ZINC001475886864 1069570617 /nfs/dbraw/zinc/57/06/17/1069570617.db2.gz NCOINTUKOZNNKS-VWXURSGXSA-N 0 0 480.612 1.755 20 30 JDEDRN COCCN(CCC#N)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 ZINC001475892555 1069572283 /nfs/dbraw/zinc/57/22/83/1069572283.db2.gz SYXMKHAEVAIGGX-INIZCTEOSA-N 0 0 452.533 1.654 20 30 JDEDRN CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001501651662 1069574543 /nfs/dbraw/zinc/57/45/43/1069574543.db2.gz MXNOQEJQEUGIPF-VLZBMTSBSA-N 0 0 498.609 1.603 20 30 JDEDRN CCN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001501664987 1069577041 /nfs/dbraw/zinc/57/70/41/1069577041.db2.gz OWSJQHJFEDESTI-GOSISDBHSA-N 0 0 474.587 1.514 20 30 JDEDRN CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1)S(C)(=O)=O ZINC001501683829 1069582900 /nfs/dbraw/zinc/58/29/00/1069582900.db2.gz LMEAIEFRGNHIEN-JOCHJYFZSA-N 0 0 474.587 1.218 20 30 JDEDRN CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1)S(C)(=O)=O ZINC001501684351 1069583962 /nfs/dbraw/zinc/58/39/62/1069583962.db2.gz UPTKMZGGJFDZEY-UHFFFAOYSA-N 0 0 495.556 1.448 20 30 JDEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1 ZINC001475973428 1069583090 /nfs/dbraw/zinc/58/30/90/1069583090.db2.gz IDLPRGHXCLKYEN-UHFFFAOYSA-N 0 0 452.558 1.603 20 30 JDEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCc3nnc4c(=O)n(C)ccn34)c2)c1 ZINC001475950841 1069580474 /nfs/dbraw/zinc/58/04/74/1069580474.db2.gz GZXRBJNHFRUDEG-UHFFFAOYSA-N 0 0 456.462 1.936 20 30 JDEDRN COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001475999960 1069585580 /nfs/dbraw/zinc/58/55/80/1069585580.db2.gz LCUSDQSJYCJQJO-UHFFFAOYSA-N 0 0 454.480 1.157 20 30 JDEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC001476011719 1069588538 /nfs/dbraw/zinc/58/85/38/1069588538.db2.gz WMJAGCVQQBXWHU-SPGGGKMGSA-N 0 0 456.590 1.930 20 30 JDEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC001476007273 1069587239 /nfs/dbraw/zinc/58/72/39/1069587239.db2.gz YHRAUVOWJAYJPJ-WFOVFMPGSA-N 0 0 457.578 1.045 20 30 JDEDRN Cn1cc(CN2CCN(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)CC2)cn1 ZINC001476006629 1069587319 /nfs/dbraw/zinc/58/73/19/1069587319.db2.gz MBYXNWUMQKSCRO-HIXSDJFHSA-N 0 0 459.576 1.583 20 30 JDEDRN 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1.563 20 30 JDEDRN Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 ZINC001503663876 1071990855 /nfs/dbraw/zinc/99/08/55/1071990855.db2.gz PFSXAHVYBLPICU-LJQANCHMSA-N 0 0 455.544 1.328 20 30 JDEDRN Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 ZINC001503663875 1071990933 /nfs/dbraw/zinc/99/09/33/1071990933.db2.gz PFSXAHVYBLPICU-IBGZPJMESA-N 0 0 455.544 1.328 20 30 JDEDRN Cn1cccc1-c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O ZINC001503668897 1071995643 /nfs/dbraw/zinc/99/56/43/1071995643.db2.gz NPRMKEVPXFAWHU-UHFFFAOYSA-N 0 0 467.599 1.912 20 30 JDEDRN Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 ZINC001503672832 1072001835 /nfs/dbraw/zinc/00/18/35/1072001835.db2.gz QBEVZEFKYRNUSE-HNNXBMFYSA-N 0 0 489.462 1.410 20 30 JDEDRN CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC001503673011 1072002221 /nfs/dbraw/zinc/00/22/21/1072002221.db2.gz NCHNFRDBNLPJDU-JOCHJYFZSA-N 0 0 471.587 1.061 20 30 JDEDRN Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCSCCCO ZINC001503669739 1071997904 /nfs/dbraw/zinc/99/79/04/1071997904.db2.gz FJPZBMUVEUEFBB-UHFFFAOYSA-N 0 0 452.588 1.992 20 30 JDEDRN CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001503691151 1072027787 /nfs/dbraw/zinc/02/77/87/1072027787.db2.gz WWMMQNHSVRTNBD-SFHVURJKSA-N 0 0 487.630 1.697 20 30 JDEDRN CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001503691135 1072027833 /nfs/dbraw/zinc/02/78/33/1072027833.db2.gz WWMMQNHSVRTNBD-GOSISDBHSA-N 0 0 487.630 1.697 20 30 JDEDRN CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001503695321 1072033203 /nfs/dbraw/zinc/03/32/03/1072033203.db2.gz SPAQDYUNVMWFJU-UHFFFAOYSA-N 0 0 491.600 1.966 20 30 JDEDRN CNC(=O)C(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001503696176 1072035245 /nfs/dbraw/zinc/03/52/45/1072035245.db2.gz JHQOEFFNNBPIJO-IAGOWNOFSA-N 0 0 467.578 1.321 20 30 JDEDRN CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001503697358 1072038302 /nfs/dbraw/zinc/03/83/02/1072038302.db2.gz CHXDASAPZNKQRP-MRXNPFEDSA-N 0 0 470.603 1.218 20 30 JDEDRN CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001503701483 1072042043 /nfs/dbraw/zinc/04/20/43/1072042043.db2.gz AXFGPNUERKGJJA-UHFFFAOYSA-N 0 0 491.556 1.088 20 30 JDEDRN COCCO[C@H](C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1Cc1ccc(C#N)o1 ZINC001504988455 1072042990 /nfs/dbraw/zinc/04/29/90/1072042990.db2.gz GTUDSGSVCQWXON-QGZVFWFLSA-N 0 0 465.514 1.872 20 30 JDEDRN COCCO[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(F)(F)F ZINC001504990118 1072048553 /nfs/dbraw/zinc/04/85/53/1072048553.db2.gz OPGOKZUCPWCMSA-AWEZNQCLSA-N 0 0 456.473 1.805 20 30 JDEDRN COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1([S@](C)=O)CC1 ZINC001504990911 1072050750 /nfs/dbraw/zinc/05/07/50/1072050750.db2.gz RVZSGBCJNNORPG-GTOJURISSA-N 0 0 473.603 1.506 20 30 JDEDRN COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001504990915 1072050861 /nfs/dbraw/zinc/05/08/61/1072050861.db2.gz RVZSGBCJNNORPG-UAIZEJDJSA-N 0 0 473.603 1.506 20 30 JDEDRN COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001504994028 1072061026 /nfs/dbraw/zinc/06/10/26/1072061026.db2.gz KSBIBJLHDDFILD-IEBWSBKVSA-N 0 0 482.589 1.510 20 30 JDEDRN COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001504994026 1072061240 /nfs/dbraw/zinc/06/12/40/1072061240.db2.gz KSBIBJLHDDFILD-HKUYNNGSSA-N 0 0 482.589 1.510 20 30 JDEDRN COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1COCCO1 ZINC001504995750 1072065534 /nfs/dbraw/zinc/06/55/34/1072065534.db2.gz VALUHCWLUMKMGE-AZUAARDMSA-N 0 0 456.547 1.616 20 30 JDEDRN COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1COCCO1 ZINC001504995751 1072065785 /nfs/dbraw/zinc/06/57/85/1072065785.db2.gz VALUHCWLUMKMGE-UYAOXDASSA-N 0 0 456.547 1.616 20 30 JDEDRN COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CCOCC1 ZINC001505008630 1072090769 /nfs/dbraw/zinc/09/07/69/1072090769.db2.gz ONKLXGPHHUQRGM-UHFFFAOYSA-N 0 0 468.558 1.731 20 30 JDEDRN COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCOCC1 ZINC001505009281 1072091276 /nfs/dbraw/zinc/09/12/76/1072091276.db2.gz SCECVGFFOJDSMU-UHFFFAOYSA-N 0 0 498.584 1.324 20 30 JDEDRN COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCOCC1 ZINC001505010077 1072093164 /nfs/dbraw/zinc/09/31/64/1072093164.db2.gz YJVRGBNNYUZGHB-SFHVURJKSA-N 0 0 468.558 1.696 20 30 JDEDRN COCCOc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 ZINC001505010814 1072094212 /nfs/dbraw/zinc/09/42/12/1072094212.db2.gz AKWZNYHDPMFIRZ-IIBYNOLFSA-N 0 0 480.566 1.712 20 30 JDEDRN COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001505017069 1072105039 /nfs/dbraw/zinc/10/50/39/1072105039.db2.gz KHMVPGMJDJNHAL-QGZVFWFLSA-N 0 0 461.526 1.952 20 30 JDEDRN COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 ZINC001505019825 1072108155 /nfs/dbraw/zinc/10/81/55/1072108155.db2.gz ZIDSQBOWJIFBFI-MOPGFXCFSA-N 0 0 467.530 1.437 20 30 JDEDRN COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001505020230 1072109212 /nfs/dbraw/zinc/10/92/12/1072109212.db2.gz OTHHCKJUMABNDZ-ICSRJNTNSA-N 0 0 459.572 1.883 20 30 JDEDRN COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001505020234 1072109328 /nfs/dbraw/zinc/10/93/28/1072109328.db2.gz OTHHCKJUMABNDZ-UYAOXDASSA-N 0 0 459.572 1.883 20 30 JDEDRN COCCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 ZINC001505035491 1072130247 /nfs/dbraw/zinc/13/02/47/1072130247.db2.gz QIWNJMXZLNWFET-HSZRJFAPSA-N 0 0 457.531 1.512 20 30 JDEDRN COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 ZINC001505031153 1072124795 /nfs/dbraw/zinc/12/47/95/1072124795.db2.gz WYAULFGFWVZWPX-UHFFFAOYSA-N 0 0 454.531 1.307 20 30 JDEDRN COCCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 ZINC001505035492 1072131127 /nfs/dbraw/zinc/13/11/27/1072131127.db2.gz QIWNJMXZLNWFET-QHCPKHFHSA-N 0 0 457.531 1.512 20 30 JDEDRN COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001505036519 1072131602 /nfs/dbraw/zinc/13/16/02/1072131602.db2.gz BLZHANCDPZGWFF-WOJBJXKFSA-N 0 0 488.614 1.588 20 30 JDEDRN COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001505048036 1072145161 /nfs/dbraw/zinc/14/51/61/1072145161.db2.gz MQYOOJNVEBFKNL-HSZRJFAPSA-N 0 0 467.530 1.294 20 30 JDEDRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001505065523 1072167516 /nfs/dbraw/zinc/16/75/16/1072167516.db2.gz IPMGSTYNOJPLLH-ICSRJNTNSA-N 0 0 474.587 1.632 20 30 JDEDRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNC(C)=O ZINC001505081942 1072210507 /nfs/dbraw/zinc/21/05/07/1072210507.db2.gz GSKYUTWYSROXOG-BDTNDASRSA-N 0 0 468.558 1.978 20 30 JDEDRN 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1.147 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nccs2)CC1 ZINC001507730262 1072799098 /nfs/dbraw/zinc/79/90/98/1072799098.db2.gz PWKOZGDPSFHFIL-QGZVFWFLSA-N 0 0 473.603 1.847 20 30 JDEDRN C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCNC(C)=O)CC1 ZINC001507731151 1072800059 /nfs/dbraw/zinc/80/00/59/1072800059.db2.gz BYLYTDZYIAHYKQ-UHFFFAOYSA-N 0 0 473.622 1.674 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001507731357 1072800172 /nfs/dbraw/zinc/80/01/72/1072800172.db2.gz GPRIHWGUQPXHBA-JOCHJYFZSA-N 0 0 466.586 1.790 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001507731159 1072800182 /nfs/dbraw/zinc/80/01/82/1072800182.db2.gz CBCXMQHCCYSJGQ-ZWKOTPCHSA-N 0 0 480.635 1.239 20 30 JDEDRN C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(=O)NC)CC1 ZINC001507731445 1072800364 /nfs/dbraw/zinc/80/03/64/1072800364.db2.gz IWFCGDSDYDXJQX-UHFFFAOYSA-N 0 0 459.595 1.284 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)CC1 ZINC001507731572 1072800485 /nfs/dbraw/zinc/80/04/85/1072800485.db2.gz LYLKDKLUDXNGGT-PMACEKPBSA-N 0 0 474.606 1.563 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)COCc2ccccc2)CC1 ZINC001507731700 1072800637 /nfs/dbraw/zinc/80/06/37/1072800637.db2.gz OVZMOJNUSWEBBJ-IFMALSPDSA-N 0 0 471.627 1.788 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC=C)CC1 ZINC001507731660 1072800684 /nfs/dbraw/zinc/80/06/84/1072800684.db2.gz NZBXXQIZYZWLAN-LJQANCHMSA-N 0 0 471.606 1.450 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)COCc2ccccc2)CC1 ZINC001507731702 1072800729 /nfs/dbraw/zinc/80/07/29/1072800729.db2.gz OVZMOJNUSWEBBJ-IRLDBZIGSA-N 0 0 471.627 1.788 20 30 JDEDRN C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCCO)CC1 ZINC001507731672 1072800735 /nfs/dbraw/zinc/80/07/35/1072800735.db2.gz OCTHQLKIKNKBPE-UHFFFAOYSA-N 0 0 452.607 1.760 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001507731997 1072801259 /nfs/dbraw/zinc/80/12/59/1072801259.db2.gz AKJSAXNXRMWXCV-WOJBJXKFSA-N 0 0 499.660 1.368 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001507732205 1072801387 /nfs/dbraw/zinc/80/13/87/1072801387.db2.gz JYOTWEPAUZBXRX-OAQYLSRUSA-N 0 0 486.642 1.599 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001507732584 1072801858 /nfs/dbraw/zinc/80/18/58/1072801858.db2.gz PWBBBFKXZPAHOL-HXUWFJFHSA-N 0 0 471.627 2.000 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001507732522 1072801883 /nfs/dbraw/zinc/80/18/83/1072801883.db2.gz OJKLLJQWDBLKSW-UHFFFAOYSA-N 0 0 466.586 1.927 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001507733059 1072802072 /nfs/dbraw/zinc/80/20/72/1072802072.db2.gz NSZVZVDDVPGESR-RUZDIDTESA-N 0 0 482.560 1.527 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCCCO)CC1 ZINC001507733459 1072802322 /nfs/dbraw/zinc/80/23/22/1072802322.db2.gz ZJGPJDUQWJRXKX-KDURUIRLSA-N 0 0 462.595 1.203 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001507733088 1072802471 /nfs/dbraw/zinc/80/24/71/1072802471.db2.gz XMNJLBGNDSGMHC-IBGZPJMESA-N 0 0 473.599 1.446 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001507733561 1072802622 /nfs/dbraw/zinc/80/26/22/1072802622.db2.gz CXBCENKDHMACQO-BXKMTCNYSA-N 0 0 458.607 1.713 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001507733557 1072802628 /nfs/dbraw/zinc/80/26/28/1072802628.db2.gz CNFGWOWNHLVBHJ-UHFFFAOYSA-N 0 0 497.566 1.656 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOc3ccccc32)CC1 ZINC001507733555 1072802663 /nfs/dbraw/zinc/80/26/63/1072802663.db2.gz CFNLBPKTFNDGAW-LJQANCHMSA-N 0 0 464.570 1.948 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001507733686 1072802817 /nfs/dbraw/zinc/80/28/17/1072802817.db2.gz IEOWCTXUENLMCC-UHFFFAOYSA-N 0 0 492.506 1.434 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(COC)cc2)CC1 ZINC001507733691 1072802875 /nfs/dbraw/zinc/80/28/75/1072802875.db2.gz IKFUSKXJZQKLTH-UHFFFAOYSA-N 0 0 452.559 1.577 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001507733780 1072803041 /nfs/dbraw/zinc/80/30/41/1072803041.db2.gz MFJXTHUISGQOTI-UHFFFAOYSA-N 0 0 498.584 1.456 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001507733763 1072803068 /nfs/dbraw/zinc/80/30/68/1072803068.db2.gz LHEBZSVPEJQQGK-TZIWHRDSSA-N 0 0 479.585 1.952 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001507733766 1072803169 /nfs/dbraw/zinc/80/31/69/1072803169.db2.gz LNTHHWRKPPRMKV-UHFFFAOYSA-N 0 0 457.600 1.960 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCOC)CC2)CC1 ZINC001507733941 1072803338 /nfs/dbraw/zinc/80/33/38/1072803338.db2.gz OLJBRBGJCCULHD-UHFFFAOYSA-N 0 0 465.558 1.708 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001507733831 1072803346 /nfs/dbraw/zinc/80/33/46/1072803346.db2.gz BZDNCZBEGXEWAQ-UHFFFAOYSA-N 0 0 480.594 1.607 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(=O)NCC)cc2)CC1 ZINC001507733832 1072803391 /nfs/dbraw/zinc/80/33/91/1072803391.db2.gz MHWDEPMYZNBWMD-UHFFFAOYSA-N 0 0 479.585 1.180 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001507734009 1072803550 /nfs/dbraw/zinc/80/35/50/1072803550.db2.gz FJSJPJRWOBYVJG-UHFFFAOYSA-N 0 0 476.541 1.073 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001507734064 1072803630 /nfs/dbraw/zinc/80/36/30/1072803630.db2.gz GOOITKLKDJNJFP-GKVSMKOHSA-N 0 0 483.569 1.468 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)onc2CC)CC1 ZINC001507734143 1072803678 /nfs/dbraw/zinc/80/36/78/1072803678.db2.gz SDNGJPUEGNSPQV-UHFFFAOYSA-N 0 0 476.541 1.798 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001507734160 1072803868 /nfs/dbraw/zinc/80/38/68/1072803868.db2.gz SKNVVYSYSQKNJR-UHFFFAOYSA-N 0 0 489.502 1.942 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001507734371 1072803906 /nfs/dbraw/zinc/80/39/06/1072803906.db2.gz WPNDFIDMMJPWEZ-KRWDZBQOSA-N 0 0 489.621 1.638 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2n[nH]c(C)n2)CC1 ZINC001507734525 1072804124 /nfs/dbraw/zinc/80/41/24/1072804124.db2.gz YQYLHEVHLYUBOL-UHFFFAOYSA-N 0 0 489.584 1.782 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(C)(=O)=O)CC1 ZINC001507734959 1072804533 /nfs/dbraw/zinc/80/45/33/1072804533.db2.gz FTMAXTUWWRUUAQ-UHFFFAOYSA-N 0 0 481.582 1.008 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](F)COC)CC1 ZINC001507734905 1072804552 /nfs/dbraw/zinc/80/45/52/1072804552.db2.gz CLCYJHCKBPLYGN-SFHVURJKSA-N 0 0 459.522 1.913 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOC(C)C)CC1 ZINC001507735016 1072804728 /nfs/dbraw/zinc/80/47/28/1072804728.db2.gz HJDDBPXVHWEZQS-UHFFFAOYSA-N 0 0 463.546 1.312 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNS(C)(=O)=O)CC1 ZINC001507735139 1072804762 /nfs/dbraw/zinc/80/47/62/1072804762.db2.gz LRKIWWWYLCAGMW-UHFFFAOYSA-N 0 0 499.424 1.767 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnnn2C)CC1 ZINC001507735472 1072804910 /nfs/dbraw/zinc/80/49/10/1072804910.db2.gz AODJDEANWSEBTK-MRXNPFEDSA-N 0 0 466.521 1.700 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 ZINC001507735502 1072805356 /nfs/dbraw/zinc/80/53/56/1072805356.db2.gz XCFGMJJEELUGEV-SANMLTNESA-N 0 0 497.596 1.860 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2)CC1 ZINC001507735624 1072805682 /nfs/dbraw/zinc/80/56/82/1072805682.db2.gz CUCBBDXQVZCFSF-WBVHZDCISA-N 0 0 468.649 1.140 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSC(F)(F)F)CC1 ZINC001507735669 1072805714 /nfs/dbraw/zinc/80/57/14/1072805714.db2.gz DSGMTPWSBWQLMZ-GFCCVEGCSA-N 0 0 482.554 1.107 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001507735645 1072805741 /nfs/dbraw/zinc/80/57/41/1072805741.db2.gz DIPZQKAHGBSBLM-ZEQRLZLVSA-N 0 0 475.590 1.090 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](F)COC)CC1 ZINC001507735687 1072806055 /nfs/dbraw/zinc/80/60/55/1072806055.db2.gz FIAQBDWASCHVSJ-MRXNPFEDSA-N 0 0 481.370 1.996 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2(C)C)CC1 ZINC001507735833 1072806366 /nfs/dbraw/zinc/80/63/66/1072806366.db2.gz IDIUWCVLDXTTGM-NVXWUHKLSA-N 0 0 482.676 1.386 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2CCc3ccccc32)CC1 ZINC001507735858 1072806395 /nfs/dbraw/zinc/80/63/95/1072806395.db2.gz IMELMNMWZYBOMV-UYAOXDASSA-N 0 0 498.653 1.974 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)F)CC1 ZINC001507736130 1072806682 /nfs/dbraw/zinc/80/66/82/1072806682.db2.gz FCLNCZAWBRGSQD-UHFFFAOYSA-N 0 0 460.485 1.301 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCn2cc(Br)cn2)CC1 ZINC001507736214 1072806718 /nfs/dbraw/zinc/80/67/18/1072806718.db2.gz HXHSUFXRKTXLFU-UHFFFAOYSA-N 0 0 471.363 1.898 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001507736058 1072806735 /nfs/dbraw/zinc/80/67/35/1072806735.db2.gz KMQAYLWACXVSFU-RUZDIDTESA-N 0 0 488.633 1.007 20 30 JDEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001507736330 1072807118 /nfs/dbraw/zinc/80/71/18/1072807118.db2.gz ILIPTPKQCCFHDD-UHFFFAOYSA-N 0 0 478.578 1.758 20 30 JDEDRN 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/nfs/dbraw/zinc/78/46/58/1072784658.db2.gz WDBKSYQLAVCDQB-JOCHJYFZSA-N 0 0 460.966 1.813 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001507721072 1072784819 /nfs/dbraw/zinc/78/48/19/1072784819.db2.gz YDOHPIWLCCZQSE-GOSISDBHSA-N 0 0 491.589 1.252 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001507720826 1072785086 /nfs/dbraw/zinc/78/50/86/1072785086.db2.gz XBXAYTIRLXJFCC-RTBURBONSA-N 0 0 490.605 1.736 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507721864 1072786436 /nfs/dbraw/zinc/78/64/36/1072786436.db2.gz ZLHMPDXOVDLJSY-UHFFFAOYSA-N 0 0 495.447 1.663 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)CC=C)CC1 ZINC001507721883 1072786508 /nfs/dbraw/zinc/78/65/08/1072786508.db2.gz VCQXWPXGEDSHNT-UHFFFAOYSA-N 0 0 463.991 1.963 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001507721909 1072786604 /nfs/dbraw/zinc/78/66/04/1072786604.db2.gz MZHSSCMKICTIRV-MRXNPFEDSA-N 0 0 466.558 1.804 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001507721699 1072786836 /nfs/dbraw/zinc/78/68/36/1072786836.db2.gz LHEIYSYKHOVZAL-IBGZPJMESA-N 0 0 495.609 1.879 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)CCC)cc2)CC1 ZINC001507722211 1072787522 /nfs/dbraw/zinc/78/75/22/1072787522.db2.gz RGXGRVLKYFWUDN-GOSISDBHSA-N 0 0 487.630 1.430 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001507721945 1072787650 /nfs/dbraw/zinc/78/76/50/1072787650.db2.gz VTWBVYIYFFWWCJ-UHFFFAOYSA-N 0 0 490.630 1.388 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC001507722303 1072788224 /nfs/dbraw/zinc/78/82/24/1072788224.db2.gz UDPHGCUUVIOKFK-SFHVURJKSA-N 0 0 469.615 1.790 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC001507722302 1072788438 /nfs/dbraw/zinc/78/84/38/1072788438.db2.gz UDPHGCUUVIOKFK-GOSISDBHSA-N 0 0 469.615 1.790 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccc(F)cc23)CC1 ZINC001507722311 1072788494 /nfs/dbraw/zinc/78/84/94/1072788494.db2.gz UJNVNIQDLYDRHB-MRXNPFEDSA-N 0 0 473.578 1.507 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)Oc2ccccc2F)CC1 ZINC001507722370 1072789199 /nfs/dbraw/zinc/78/91/99/1072789199.db2.gz VLXXVWVZCCVXTN-MSOLQXFVSA-N 0 0 478.594 1.640 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(Cl)c2)CC1 ZINC001507722417 1072789254 /nfs/dbraw/zinc/78/92/54/1072789254.db2.gz WIOBERKCNPXQPA-HNNXBMFYSA-N 0 0 466.995 1.354 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)CC1 ZINC001507722368 1072789379 /nfs/dbraw/zinc/78/93/79/1072789379.db2.gz VKAZHZMHKVDCPT-ROUUACIJSA-N 0 0 458.588 1.210 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001507722622 1072789406 /nfs/dbraw/zinc/78/94/06/1072789406.db2.gz CBDQSMOHYZNFKI-IBGZPJMESA-N 0 0 482.585 1.212 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001507723362 1072790927 /nfs/dbraw/zinc/79/09/27/1072790927.db2.gz FVUJKHOXMBEEBZ-KRWDZBQOSA-N 0 0 474.512 1.837 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001507723720 1072791599 /nfs/dbraw/zinc/79/15/99/1072791599.db2.gz RWYXUQVNTKBKQF-QZTJIDSGSA-N 0 0 457.579 1.384 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCC=C)CC1 ZINC001507723649 1072791648 /nfs/dbraw/zinc/79/16/48/1072791648.db2.gz POTJUJQZRAOJBK-UHFFFAOYSA-N 0 0 457.604 1.586 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(OC)cc(OC)cc2OC)CC1 ZINC001507723630 1072791758 /nfs/dbraw/zinc/79/17/58/1072791758.db2.gz OVFYOXKLHVYDEO-LJQANCHMSA-N 0 0 468.558 1.253 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCCS(C)(=O)=O)CC1 ZINC001507723752 1072792021 /nfs/dbraw/zinc/79/20/21/1072792021.db2.gz SZNHTNVAMWLHPZ-UHFFFAOYSA-N 0 0 497.625 1.162 20 30 JDEDRN C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507724001 1072792774 /nfs/dbraw/zinc/79/27/74/1072792774.db2.gz CPICKRLRBYVRIZ-GOSISDBHSA-N 0 0 460.579 1.045 20 30 JDEDRN C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724591 1072793267 /nfs/dbraw/zinc/79/32/67/1072793267.db2.gz TWQAFSBVTOJAAN-FQEVSTJZSA-N 0 0 477.535 1.672 20 30 JDEDRN C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001507724547 1072793317 /nfs/dbraw/zinc/79/33/17/1072793317.db2.gz RZZGKQZMLJFHBV-HXUWFJFHSA-N 0 0 477.535 1.672 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC001507724891 1072793660 /nfs/dbraw/zinc/79/36/60/1072793660.db2.gz LLRTYFWTFFUPJA-UHFFFAOYSA-N 0 0 471.612 1.444 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507725878 1072793763 /nfs/dbraw/zinc/79/37/63/1072793763.db2.gz BUZYFCHEVALMKP-FQEVSTJZSA-N 0 0 472.615 1.202 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 ZINC001507725695 1072794057 /nfs/dbraw/zinc/79/40/57/1072794057.db2.gz YVVGBLIRTQNPFP-UHFFFAOYSA-N 0 0 455.588 1.131 20 30 JDEDRN C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001507725401 1072794159 /nfs/dbraw/zinc/79/41/59/1072794159.db2.gz VBARPBYDYSAFOP-UHFFFAOYSA-N 0 0 453.572 1.080 20 30 JDEDRN C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001507726284 1072795346 /nfs/dbraw/zinc/79/53/46/1072795346.db2.gz APNDAGJHHKYZAX-UHFFFAOYSA-N 0 0 457.600 1.404 20 30 JDEDRN C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001507727626 1072795867 /nfs/dbraw/zinc/79/58/67/1072795867.db2.gz QVTGPOPVESLEMI-UHFFFAOYSA-N 0 0 473.603 1.550 20 30 JDEDRN C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001507728386 1072796725 /nfs/dbraw/zinc/79/67/25/1072796725.db2.gz SFOCMDALJOLJMM-UHFFFAOYSA-N 0 0 466.586 1.109 20 30 JDEDRN C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001507728332 1072797334 /nfs/dbraw/zinc/79/73/34/1072797334.db2.gz XUGUKKDZDRZXPN-UHFFFAOYSA-N 0 0 464.599 1.534 20 30 JDEDRN C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001507728146 1072797377 /nfs/dbraw/zinc/79/73/77/1072797377.db2.gz OXLURYRPTMFFOV-NRFANRHFSA-N 0 0 456.616 1.100 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCCc2ccccc2)CC1 ZINC001507730790 1072799218 /nfs/dbraw/zinc/79/92/18/1072799218.db2.gz VKETXDLSPGKXLV-JOCHJYFZSA-N 0 0 471.627 1.585 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)CC1 ZINC001507730816 1072799328 /nfs/dbraw/zinc/79/93/28/1072799328.db2.gz VUZJAROQRNKJBQ-SFHVURJKSA-N 0 0 485.593 1.011 20 30 JDEDRN C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001507731215 1072800188 /nfs/dbraw/zinc/80/01/88/1072800188.db2.gz DCDVCLXIMSGXNM-LJQANCHMSA-N 0 0 471.606 1.426 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(C)C)CC1 ZINC001507731625 1072800344 /nfs/dbraw/zinc/80/03/44/1072800344.db2.gz NKBKRGDFNINNBU-HXUWFJFHSA-N 0 0 457.600 1.771 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)CC1 ZINC001507731573 1072800399 /nfs/dbraw/zinc/80/03/99/1072800399.db2.gz LYLKDKLUDXNGGT-UXHICEINSA-N 0 0 474.606 1.563 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001507731369 1072800428 /nfs/dbraw/zinc/80/04/28/1072800428.db2.gz GTHGUWWSUKEALT-OAQYLSRUSA-N 0 0 457.600 1.921 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(C)C)CC1 ZINC001507731624 1072800459 /nfs/dbraw/zinc/80/04/59/1072800459.db2.gz NKBKRGDFNINNBU-FQEVSTJZSA-N 0 0 457.600 1.771 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCc2ccco2)CC1 ZINC001507732093 1072801235 /nfs/dbraw/zinc/80/12/35/1072801235.db2.gz BWOOYAYPBQUADN-TZIWHRDSSA-N 0 0 454.575 1.861 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001507732310 1072801276 /nfs/dbraw/zinc/80/12/76/1072801276.db2.gz FLWMPHVZIGEJEX-YIGJPRQDSA-N 0 0 458.607 1.965 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCOCC2)CC1 ZINC001507732285 1072801376 /nfs/dbraw/zinc/80/13/76/1072801376.db2.gz KZBYQLSPUIUXIB-UHFFFAOYSA-N 0 0 458.994 1.988 20 30 JDEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 ZINC001507732370 1072801530 /nfs/dbraw/zinc/80/15/30/1072801530.db2.gz UTWXMVYGEUGLKM-OALUTQOASA-N 0 0 473.599 1.412 20 30 JDEDRN C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001507732530 1072801791 /nfs/dbraw/zinc/80/17/91/1072801791.db2.gz WJDMQZXLUIJOGA-QGZVFWFLSA-N 0 0 450.465 1.922 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001507732581 1072801826 /nfs/dbraw/zinc/80/18/26/1072801826.db2.gz PWBBBFKXZPAHOL-FQEVSTJZSA-N 0 0 471.627 2.000 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001507732693 1072802096 /nfs/dbraw/zinc/80/20/96/1072802096.db2.gz RPHBIALQJAKQOV-UHFFFAOYSA-N 0 0 463.579 1.965 20 30 JDEDRN C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 ZINC001507733017 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C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC001507915891 1072855924 /nfs/dbraw/zinc/85/59/24/1072855924.db2.gz GLQUQJHNSZPGJC-IBGZPJMESA-N 0 0 480.679 1.773 20 30 JDEDRN C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC001507915892 1072855989 /nfs/dbraw/zinc/85/59/89/1072855989.db2.gz GLQUQJHNSZPGJC-LJQANCHMSA-N 0 0 480.679 1.773 20 30 JDEDRN C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001507916182 1072855993 /nfs/dbraw/zinc/85/59/93/1072855993.db2.gz LODBPTIEMHITFC-AEFFLSMTSA-N 0 0 468.624 1.270 20 30 JDEDRN C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001507915895 1072855994 /nfs/dbraw/zinc/85/59/94/1072855994.db2.gz GMJSLQLTSVIFRA-GUDVDZBRSA-N 0 0 451.637 1.939 20 30 JDEDRN C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001507915994 1072856064 /nfs/dbraw/zinc/85/60/64/1072856064.db2.gz IKYPULUPHSIWBF-GOSISDBHSA-N 0 0 492.646 1.054 20 30 JDEDRN C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001507916185 1072856245 /nfs/dbraw/zinc/85/62/45/1072856245.db2.gz LODBPTIEMHITFC-WMZOPIPTSA-N 0 0 468.624 1.270 20 30 JDEDRN C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001507917236 1072856428 /nfs/dbraw/zinc/85/64/28/1072856428.db2.gz ZLKFBXNWJPTAAJ-INIZCTEOSA-N 0 0 494.584 1.898 20 30 JDEDRN C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001507916869 1072856476 /nfs/dbraw/zinc/85/64/76/1072856476.db2.gz VQFBHTZYBJCFTJ-CVEARBPZSA-N 0 0 455.581 1.213 20 30 JDEDRN C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001507917238 1072856513 /nfs/dbraw/zinc/85/65/13/1072856513.db2.gz ZLKFBXNWJPTAAJ-MRXNPFEDSA-N 0 0 494.584 1.898 20 30 JDEDRN C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC001507924297 1072856826 /nfs/dbraw/zinc/85/68/26/1072856826.db2.gz LDGBPLQTNJGLOD-NRSPTQNISA-N 0 0 474.631 1.769 20 30 JDEDRN C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001507923502 1072856875 /nfs/dbraw/zinc/85/68/75/1072856875.db2.gz XAMMAMZCTURKHQ-UHFFFAOYSA-N 0 0 451.575 1.793 20 30 JDEDRN C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001507934015 1072857490 /nfs/dbraw/zinc/85/74/90/1072857490.db2.gz CIGZDEMNCZYHKI-LJQANCHMSA-N 0 0 492.602 1.523 20 30 JDEDRN C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 ZINC001507934427 1072857548 /nfs/dbraw/zinc/85/75/48/1072857548.db2.gz FRNJBFFFAMOSSO-INIZCTEOSA-N 0 0 462.567 1.354 20 30 JDEDRN C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001507935293 1072857787 /nfs/dbraw/zinc/85/77/87/1072857787.db2.gz PBIOFYOSZJUQAD-PMPSAXMXSA-N 0 0 455.537 1.081 20 30 JDEDRN C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001507935292 1072857905 /nfs/dbraw/zinc/85/79/05/1072857905.db2.gz PBIOFYOSZJUQAD-OAGGEKHMSA-N 0 0 455.537 1.081 20 30 JDEDRN C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001507935291 1072857921 /nfs/dbraw/zinc/85/79/21/1072857921.db2.gz PBIOFYOSZJUQAD-JYJNAYRXSA-N 0 0 455.537 1.081 20 30 JDEDRN C=CCCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001507936984 1072858115 /nfs/dbraw/zinc/85/81/15/1072858115.db2.gz JTFWRFXEBNSTEX-HSZRJFAPSA-N 0 0 462.595 1.460 20 30 JDEDRN C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001507940397 1072858405 /nfs/dbraw/zinc/85/84/05/1072858405.db2.gz ZSZXVCUVPMLGMD-LJQANCHMSA-N 0 0 452.559 1.575 20 30 JDEDRN C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001507943508 1072858417 /nfs/dbraw/zinc/85/84/17/1072858417.db2.gz IRPYXLPWJUCGQL-ZDUSSCGKSA-N 0 0 466.530 1.749 20 30 JDEDRN C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001507942175 1072858427 /nfs/dbraw/zinc/85/84/27/1072858427.db2.gz BVMMPSXCRCQTEH-OAHLLOKOSA-N 0 0 453.638 1.942 20 30 JDEDRN C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001507941030 1072858442 /nfs/dbraw/zinc/85/84/42/1072858442.db2.gz AHVNKGOILLARPX-MRXNPFEDSA-N 0 0 459.348 1.821 20 30 JDEDRN C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001507943715 1072858732 /nfs/dbraw/zinc/85/87/32/1072858732.db2.gz KXUHUNLHJYCTJO-KRWDZBQOSA-N 0 0 469.525 1.859 20 30 JDEDRN C=CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001507945583 1072858803 /nfs/dbraw/zinc/85/88/03/1072858803.db2.gz IGQFLSXCOVZBID-CRAIPNDOSA-N 0 0 452.515 1.518 20 30 JDEDRN C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001507951730 1072859014 /nfs/dbraw/zinc/85/90/14/1072859014.db2.gz IAAKYWANRZHXLB-FQEVSTJZSA-N 0 0 457.623 1.890 20 30 JDEDRN C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001507951624 1072859040 /nfs/dbraw/zinc/85/90/40/1072859040.db2.gz GZBUVJXOXMOKCI-UHFFFAOYSA-N 0 0 473.603 1.409 20 30 JDEDRN C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001507950252 1072859053 /nfs/dbraw/zinc/85/90/53/1072859053.db2.gz BMYUFQAWIATLRW-FQEVSTJZSA-N 0 0 460.604 1.861 20 30 JDEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001507952888 1072859384 /nfs/dbraw/zinc/85/93/84/1072859384.db2.gz BRCSVDRUMZNDMP-ZWKOTPCHSA-N 0 0 482.651 1.708 20 30 JDEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001507954202 1072859416 /nfs/dbraw/zinc/85/94/16/1072859416.db2.gz LJXWORHCIQOFRB-IAGOWNOFSA-N 0 0 484.623 1.681 20 30 JDEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001507954898 1072859747 /nfs/dbraw/zinc/85/97/47/1072859747.db2.gz RNVFOXYAJJEBKZ-IAGOWNOFSA-N 0 0 465.580 1.653 20 30 JDEDRN C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001507954833 1072859758 /nfs/dbraw/zinc/85/97/58/1072859758.db2.gz QJLAQTBNTNLEOG-PMACEKPBSA-N 0 0 472.615 1.495 20 30 JDEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001507954880 1072859763 /nfs/dbraw/zinc/85/97/63/1072859763.db2.gz RELBKNWDVRSAJW-LJQANCHMSA-N 0 0 492.577 1.570 20 30 JDEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001507954899 1072859774 /nfs/dbraw/zinc/85/97/74/1072859774.db2.gz RNVFOXYAJJEBKZ-IRXDYDNUSA-N 0 0 465.580 1.653 20 30 JDEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001507955194 1072859830 /nfs/dbraw/zinc/85/98/30/1072859830.db2.gz WBAUORQPLHELOH-QGZVFWFLSA-N 0 0 479.607 1.827 20 30 JDEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001507954879 1072859847 /nfs/dbraw/zinc/85/98/47/1072859847.db2.gz RELBKNWDVRSAJW-IBGZPJMESA-N 0 0 492.577 1.570 20 30 JDEDRN C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 ZINC001507955249 1072860019 /nfs/dbraw/zinc/86/00/19/1072860019.db2.gz WYDRBTDMEAEYGU-QGZVFWFLSA-N 0 0 450.609 1.873 20 30 JDEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001507955415 1072860083 /nfs/dbraw/zinc/86/00/83/1072860083.db2.gz YFJPKBQQSBXWPU-OALUTQOASA-N 0 0 496.678 1.956 20 30 JDEDRN C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001507957363 1072860089 /nfs/dbraw/zinc/86/00/89/1072860089.db2.gz GWQJWDDLGGYITN-QGZVFWFLSA-N 0 0 475.619 1.806 20 30 JDEDRN C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001507958806 1072860341 /nfs/dbraw/zinc/86/03/41/1072860341.db2.gz CXBOBESBNFUIMB-UHFFFAOYSA-N 0 0 477.587 1.827 20 30 JDEDRN C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001507957808 1072860372 /nfs/dbraw/zinc/86/03/72/1072860372.db2.gz VVGMUFUNCCLWEL-UHFFFAOYSA-N 0 0 468.562 1.902 20 30 JDEDRN C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001507957802 1072860385 /nfs/dbraw/zinc/86/03/85/1072860385.db2.gz KXNMEBYYIBPMFE-UHFFFAOYSA-N 0 0 471.953 1.527 20 30 JDEDRN C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001507959361 1072860615 /nfs/dbraw/zinc/86/06/15/1072860615.db2.gz MGPKMYUYUAHUKF-UHFFFAOYSA-N 0 0 470.574 1.720 20 30 JDEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001507958870 1072860752 /nfs/dbraw/zinc/86/07/52/1072860752.db2.gz ZQPNHYIYQPYODB-INIZCTEOSA-N 0 0 472.612 1.538 20 30 JDEDRN C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001507962286 1072860972 /nfs/dbraw/zinc/86/09/72/1072860972.db2.gz PKXAZAGIPVLOFN-FQEVSTJZSA-N 0 0 468.606 1.851 20 30 JDEDRN C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001507962584 1072861015 /nfs/dbraw/zinc/86/10/15/1072861015.db2.gz ULOPYRZINRIAPE-KRWDZBQOSA-N 0 0 465.558 1.877 20 30 JDEDRN C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)C1 ZINC001507962737 1072861073 /nfs/dbraw/zinc/86/10/73/1072861073.db2.gz WUMOOYCNTRKQBG-UHFFFAOYSA-N 0 0 465.558 1.936 20 30 JDEDRN C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@H](COC)C1 ZINC001507962331 1072861091 /nfs/dbraw/zinc/86/10/91/1072861091.db2.gz QOTYCEBHSSWVHC-KRWDZBQOSA-N 0 0 454.531 1.636 20 30 JDEDRN C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001507964801 1072861256 /nfs/dbraw/zinc/86/12/56/1072861256.db2.gz KXNUNWJNZVNQPF-HXUWFJFHSA-N 0 0 477.587 1.855 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001507964372 1072861266 /nfs/dbraw/zinc/86/12/66/1072861266.db2.gz COBCJSBZCJSDPE-SFTDATJTSA-N 0 0 491.614 1.782 20 30 JDEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001507964444 1072861298 /nfs/dbraw/zinc/86/12/98/1072861298.db2.gz FZEGDCIDJQNHEW-WOJBJXKFSA-N 0 0 493.634 1.550 20 30 JDEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001507964443 1072861321 /nfs/dbraw/zinc/86/13/21/1072861321.db2.gz FZEGDCIDJQNHEW-VQTJNVASSA-N 0 0 493.634 1.550 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 ZINC001507966090 1072861657 /nfs/dbraw/zinc/86/16/57/1072861657.db2.gz YHJKRLBTHZNGGT-FQEVSTJZSA-N 0 0 461.588 1.766 20 30 JDEDRN C=CCCOCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001507966052 1072861672 /nfs/dbraw/zinc/86/16/72/1072861672.db2.gz LZEUGWFJAXXIKH-NHCUHLMSSA-N 0 0 454.593 1.538 20 30 JDEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 ZINC001507966093 1072861701 /nfs/dbraw/zinc/86/17/01/1072861701.db2.gz YHJKRLBTHZNGGT-HXUWFJFHSA-N 0 0 461.588 1.766 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001507967014 1072861953 /nfs/dbraw/zinc/86/19/53/1072861953.db2.gz FSUJSGYCNBEZFH-QZTJIDSGSA-N 0 0 453.609 1.466 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001507966661 1072861976 /nfs/dbraw/zinc/86/19/76/1072861976.db2.gz ANXFCBMWUBHXKR-MOPGFXCFSA-N 0 0 453.609 1.769 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001507966835 1072861981 /nfs/dbraw/zinc/86/19/81/1072861981.db2.gz CTTYKYQVXJYKMO-QGZVFWFLSA-N 0 0 466.608 1.157 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001507967963 1072862193 /nfs/dbraw/zinc/86/21/93/1072862193.db2.gz PHUXHPBQYNQXJB-GOSISDBHSA-N 0 0 468.624 1.357 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001507967348 1072862215 /nfs/dbraw/zinc/86/22/15/1072862215.db2.gz JOIOJGMNRQYSNQ-HXUWFJFHSA-N 0 0 474.606 1.315 20 30 JDEDRN C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001507967217 1072862285 /nfs/dbraw/zinc/86/22/85/1072862285.db2.gz HAJDTOYNOFEVBG-SFHVURJKSA-N 0 0 489.598 1.441 20 30 JDEDRN C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001507967347 1072862330 /nfs/dbraw/zinc/86/23/30/1072862330.db2.gz JOIOJGMNRQYSNQ-FQEVSTJZSA-N 0 0 474.606 1.315 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC001507968646 1072862564 /nfs/dbraw/zinc/86/25/64/1072862564.db2.gz WKQYQHWYCPUFGY-AQNXPRMDSA-N 0 0 467.636 1.320 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001507978441 1072862585 /nfs/dbraw/zinc/86/25/85/1072862585.db2.gz GYIFDRZFYNQHLQ-HRAATJIYSA-N 0 0 469.608 1.564 20 30 JDEDRN C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001507969023 1072862609 /nfs/dbraw/zinc/86/26/09/1072862609.db2.gz ZHAQHYXZJZVKKR-SFHVURJKSA-N 0 0 461.592 1.198 20 30 JDEDRN C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O ZINC001507971537 1072862622 /nfs/dbraw/zinc/86/26/22/1072862622.db2.gz NWEHHFPMNNZRJE-UHFFFAOYSA-N 0 0 452.519 1.802 20 30 JDEDRN C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001507969541 1072862631 /nfs/dbraw/zinc/86/26/31/1072862631.db2.gz CSZYSPBDWKAHHQ-WFXMLNOXSA-N 0 0 453.609 1.757 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 ZINC001507968651 1072862635 /nfs/dbraw/zinc/86/26/35/1072862635.db2.gz WKQYQHWYCPUFGY-XUVXKRRUSA-N 0 0 467.636 1.320 20 30 JDEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](N2CCOCC2)[C@@H](CC)C1 ZINC001507968654 1072862690 /nfs/dbraw/zinc/86/26/90/1072862690.db2.gz WKQYQHWYCPUFGY-ZCNNSNEGSA-N 0 0 467.636 1.320 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 ZINC001507980415 1072862970 /nfs/dbraw/zinc/86/29/70/1072862970.db2.gz GQZCDGAONMEHAO-LJQANCHMSA-N 0 0 459.576 1.592 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc2c(c1)OCO2 ZINC001507982374 1072863235 /nfs/dbraw/zinc/86/32/35/1072863235.db2.gz MMZSHFQZSMEMCK-GOSISDBHSA-N 0 0 465.532 1.041 20 30 JDEDRN C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001507983248 1072863283 /nfs/dbraw/zinc/86/32/83/1072863283.db2.gz POXUFMHKSRWQQW-MSOLQXFVSA-N 0 0 484.573 1.814 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001507983256 1072863308 /nfs/dbraw/zinc/86/33/08/1072863308.db2.gz POXUFMHKSRWQQW-QZTJIDSGSA-N 0 0 484.573 1.814 20 30 JDEDRN C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001507982254 1072863338 /nfs/dbraw/zinc/86/33/38/1072863338.db2.gz LNNADNJTZPNVOE-UHFFFAOYSA-N 0 0 458.632 1.842 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001507981742 1072863349 /nfs/dbraw/zinc/86/33/49/1072863349.db2.gz KMGSWIPYAQDGMD-QGZVFWFLSA-N 0 0 494.584 1.898 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001507987104 1072863642 /nfs/dbraw/zinc/86/36/42/1072863642.db2.gz OZZNFPCLJAWTGM-XWSJACJDSA-N 0 0 453.609 1.829 20 30 JDEDRN C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001507983524 1072863667 /nfs/dbraw/zinc/86/36/67/1072863667.db2.gz QPLJKKFOIBBJMD-UHFFFAOYSA-N 0 0 453.595 1.238 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001507984616 1072863692 /nfs/dbraw/zinc/86/36/92/1072863692.db2.gz ZCNSVESYOWDCAQ-XLIONFOSSA-N 0 0 453.565 1.351 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 ZINC001507983737 1072863715 /nfs/dbraw/zinc/86/37/15/1072863715.db2.gz RKLDZULNTFESCR-MRXNPFEDSA-N 0 0 464.573 1.998 20 30 JDEDRN C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001507983294 1072863737 /nfs/dbraw/zinc/86/37/37/1072863737.db2.gz PRPUHDKYHPYVAF-SFHVURJKSA-N 0 0 452.556 1.487 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001507983820 1072863794 /nfs/dbraw/zinc/86/37/94/1072863794.db2.gz SJMSHMVZHHIVCT-YLJYHZDGSA-N 0 0 490.630 1.810 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001507987103 1072864008 /nfs/dbraw/zinc/86/40/08/1072864008.db2.gz OZZNFPCLJAWTGM-VJANTYMQSA-N 0 0 453.609 1.829 20 30 JDEDRN C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 ZINC001507987203 1072864015 /nfs/dbraw/zinc/86/40/15/1072864015.db2.gz UEHDFCWOKBDRTB-IAGOWNOFSA-N 0 0 452.581 1.927 20 30 JDEDRN C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001507987102 1072864080 /nfs/dbraw/zinc/86/40/80/1072864080.db2.gz OZZNFPCLJAWTGM-OKYOBFRVSA-N 0 0 453.609 1.829 20 30 JDEDRN C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(N)=O)c1)C1CC1 ZINC001507992789 1072864422 /nfs/dbraw/zinc/86/44/22/1072864422.db2.gz IYZNWYCWHYDQIL-LJQANCHMSA-N 0 0 474.587 1.107 20 30 JDEDRN C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1)C1CC1 ZINC001507992912 1072864427 /nfs/dbraw/zinc/86/44/27/1072864427.db2.gz KWQMEAOAZIATNV-QGZVFWFLSA-N 0 0 459.572 1.861 20 30 JDEDRN C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC001507992902 1072864469 /nfs/dbraw/zinc/86/44/69/1072864469.db2.gz KUKBXQSZASZRQR-HKUYNNGSSA-N 0 0 464.636 1.278 20 30 JDEDRN C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCOCC1)C1CC1 ZINC001507992859 1072864493 /nfs/dbraw/zinc/86/44/93/1072864493.db2.gz KALSONFQFCHYOD-GOSISDBHSA-N 0 0 469.608 1.209 20 30 JDEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 ZINC001507996184 1072865097 /nfs/dbraw/zinc/86/50/97/1072865097.db2.gz GWDJYJPIOKGZFB-UHFFFAOYSA-N 0 0 490.612 1.742 20 30 JDEDRN C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1 ZINC001508002291 1072865804 /nfs/dbraw/zinc/86/58/04/1072865804.db2.gz DBFIZBBTANUPSN-NZQKXSOJSA-N 0 0 491.614 1.609 20 30 JDEDRN C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O ZINC001508006733 1072865843 /nfs/dbraw/zinc/86/58/43/1072865843.db2.gz VEJFALZYBOCNPV-KUHUBIRLSA-N 0 0 452.606 1.621 20 30 JDEDRN C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC ZINC001508002682 1072865858 /nfs/dbraw/zinc/86/58/58/1072865858.db2.gz LKKUVWRVCQIUCN-GOSISDBHSA-N 0 0 452.602 1.808 20 30 JDEDRN C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 ZINC001508007912 1072866142 /nfs/dbraw/zinc/86/61/42/1072866142.db2.gz IAPILUFHXNPINJ-GOSISDBHSA-N 0 0 491.589 1.794 20 30 JDEDRN C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 ZINC001508008514 1072866202 /nfs/dbraw/zinc/86/62/02/1072866202.db2.gz PDVLCOYADRXUCT-KRWDZBQOSA-N 0 0 492.631 1.534 20 30 JDEDRN C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 ZINC001508007326 1072866215 /nfs/dbraw/zinc/86/62/15/1072866215.db2.gz AFILAXPPIOCERY-SFHVURJKSA-N 0 0 497.643 1.407 20 30 JDEDRN C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 ZINC001508018573 1072867156 /nfs/dbraw/zinc/86/71/56/1072867156.db2.gz GHBFUYRJIFEZRC-QZTJIDSGSA-N 0 0 472.619 1.859 20 30 JDEDRN C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br ZINC001508021467 1072867467 /nfs/dbraw/zinc/86/74/67/1072867467.db2.gz SVODEELLUZXNDJ-GFCCVEGCSA-N 0 0 470.340 1.777 20 30 JDEDRN C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 ZINC001508025250 1072867474 /nfs/dbraw/zinc/86/74/74/1072867474.db2.gz PNGOJWZWKITFMR-UXHICEINSA-N 0 0 488.614 1.125 20 30 JDEDRN C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O ZINC001508025910 1072867827 /nfs/dbraw/zinc/86/78/27/1072867827.db2.gz QVZKQYJUBQKKPL-UHFFFAOYSA-N 0 0 462.576 1.378 20 30 JDEDRN C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C ZINC001508025377 1072867854 /nfs/dbraw/zinc/86/78/54/1072867854.db2.gz QDZXJJUVIYRIPR-KKLQWCBXSA-N 0 0 460.600 1.955 20 30 JDEDRN C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001508037839 1072868064 /nfs/dbraw/zinc/86/80/64/1072868064.db2.gz LLUASLPQOQIYLP-HNNXBMFYSA-N 0 0 454.984 1.914 20 30 JDEDRN C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 ZINC001508037369 1072868131 /nfs/dbraw/zinc/86/81/31/1072868131.db2.gz BMSZPBRFFDCUIX-NRFANRHFSA-N 0 0 459.616 1.877 20 30 JDEDRN C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br ZINC001508038328 1072868466 /nfs/dbraw/zinc/86/84/66/1072868466.db2.gz IMPIHUWGICQZAL-CQSZACIVSA-N 0 0 464.386 1.158 20 30 JDEDRN C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001508038817 1072868468 /nfs/dbraw/zinc/86/84/68/1072868468.db2.gz KWFXESVEGRWMCD-SFHVURJKSA-N 0 0 476.603 1.961 20 30 JDEDRN C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(C1)CCOCC2 ZINC001508040333 1072868705 /nfs/dbraw/zinc/86/87/05/1072868705.db2.gz WKQFDLCSAIIMKV-IBGZPJMESA-N 0 0 483.635 1.457 20 30 JDEDRN C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 ZINC001508039727 1072868714 /nfs/dbraw/zinc/86/87/14/1072868714.db2.gz PPKACVLEPUDHHV-SFHVURJKSA-N 0 0 450.565 1.002 20 30 JDEDRN C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 ZINC001508039726 1072868782 /nfs/dbraw/zinc/86/87/82/1072868782.db2.gz PPKACVLEPUDHHV-GOSISDBHSA-N 0 0 450.565 1.002 20 30 JDEDRN C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C ZINC001508041254 1072869042 /nfs/dbraw/zinc/86/90/42/1072869042.db2.gz KIDRXEINTRQHEQ-XWSJACJDSA-N 0 0 490.605 1.892 20 30 JDEDRN C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1(S(C)(=O)=O)CC1 ZINC001508041149 1072869052 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