smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COc1ccccc1)NCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000008625797 1070367380 /nfs/dbraw/zinc/36/73/80/1070367380.db2.gz HNGYUTQQGQJIOA-UHFFFAOYSA-N 0 0 488.522 0.834 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000008774779 1070367469 /nfs/dbraw/zinc/36/74/69/1070367469.db2.gz XQNSSADHFWYLSC-UHFFFAOYSA-N 0 0 468.488 0.859 20 30 JCEDRN COc1ccc(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000008853636 1070368010 /nfs/dbraw/zinc/36/80/10/1070368010.db2.gz ACUAMYJNJJNIDW-OAQYLSRUSA-N 0 0 467.544 0.856 20 30 JCEDRN COc1ccc(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000008853637 1070368070 /nfs/dbraw/zinc/36/80/70/1070368070.db2.gz ACUAMYJNJJNIDW-NRFANRHFSA-N 0 0 467.544 0.856 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000009049316 1070367939 /nfs/dbraw/zinc/36/79/39/1070367939.db2.gz DFQJQRKMQVPVMR-UHFFFAOYSA-N 0 0 451.461 0.650 20 30 JCEDRN C=CCNC(=O)COC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000009066292 1070368505 /nfs/dbraw/zinc/36/85/05/1070368505.db2.gz IEOTUDGEYHRTJQ-UHFFFAOYSA-N 0 0 496.542 0.678 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000009093289 1070368556 /nfs/dbraw/zinc/36/85/56/1070368556.db2.gz ODULDZGBIVPSHS-UHFFFAOYSA-N 0 0 451.505 0.311 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br ZINC000009443856 1070369047 /nfs/dbraw/zinc/36/90/47/1070369047.db2.gz AUEOKVDSWLRCMZ-UHFFFAOYSA-N 0 0 490.332 0.639 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CC=C ZINC000009549600 1070369072 /nfs/dbraw/zinc/36/90/72/1070369072.db2.gz XEYQTOVPQAUVRA-UHFFFAOYSA-N 0 0 456.484 0.877 20 30 JCEDRN CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1[N+](=O)[O-] ZINC000009550678 1070369138 /nfs/dbraw/zinc/36/91/38/1070369138.db2.gz KNKSYJLLJWAQLR-QGZVFWFLSA-N 0 0 456.502 0.947 20 30 JCEDRN CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1[N+](=O)[O-] ZINC000009550679 1070369090 /nfs/dbraw/zinc/36/90/90/1070369090.db2.gz KNKSYJLLJWAQLR-KRWDZBQOSA-N 0 0 456.502 0.947 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)NC(=O)NC3CC3)n2c2ccccc2c1=O ZINC000009558928 1070369190 /nfs/dbraw/zinc/36/91/90/1070369190.db2.gz CSJVSCBBYSERTH-UHFFFAOYSA-N 0 0 456.484 0.854 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cc2C1=O ZINC000009701888 1069990873 /nfs/dbraw/zinc/99/08/73/1069990873.db2.gz XQGICXFPJGRHMQ-UHFFFAOYSA-N 0 0 468.466 0.607 20 30 JCEDRN O=C(COC(=O)c1cccc(-n2cnnn2)c1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000009745632 1070369632 /nfs/dbraw/zinc/36/96/32/1070369632.db2.gz SDKGTKXCWLVFTK-UHFFFAOYSA-N 0 0 469.483 0.928 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000009785935 1070370027 /nfs/dbraw/zinc/37/00/27/1070370027.db2.gz ITZCEBBATSTLTD-UHFFFAOYSA-N 0 0 456.480 0.911 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000009789489 1070370279 /nfs/dbraw/zinc/37/02/79/1070370279.db2.gz AMLAJNFSNJRFTM-QGZVFWFLSA-N 0 0 451.501 0.987 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000009789490 1070370299 /nfs/dbraw/zinc/37/02/99/1070370299.db2.gz AMLAJNFSNJRFTM-KRWDZBQOSA-N 0 0 451.501 0.987 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)COc3ccc(C#N)cc3)C2=O)cc1 ZINC000009801196 1070370265 /nfs/dbraw/zinc/37/02/65/1070370265.db2.gz VZKNHCLRSMIVJP-QFIPXVFZSA-N 0 0 452.423 0.987 20 30 JCEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)COc3ccc(C#N)cc3)C2=O)cc1 ZINC000009801197 1070370233 /nfs/dbraw/zinc/37/02/33/1070370233.db2.gz VZKNHCLRSMIVJP-JOCHJYFZSA-N 0 0 452.423 0.987 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccc(C#N)cc2)CC1 ZINC000009801279 1070370251 /nfs/dbraw/zinc/37/02/51/1070370251.db2.gz ATTMJHJMTURLHY-UHFFFAOYSA-N 0 0 462.484 0.618 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)COc3ccccc3C#N)C2=O)cc1 ZINC000009802700 1070369915 /nfs/dbraw/zinc/36/99/15/1070369915.db2.gz YESVKCMKKZPRAE-QFIPXVFZSA-N 0 0 452.423 0.987 20 30 JCEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)COc3ccccc3C#N)C2=O)cc1 ZINC000009802701 1070370014 /nfs/dbraw/zinc/37/00/14/1070370014.db2.gz YESVKCMKKZPRAE-JOCHJYFZSA-N 0 0 452.423 0.987 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccccc2C#N)CC1 ZINC000009802772 1069994653 /nfs/dbraw/zinc/99/46/53/1069994653.db2.gz XSIZGLSVGJRTFC-UHFFFAOYSA-N 0 0 462.484 0.618 20 30 JCEDRN O=C(COC(=O)c1ccccc1-n1cnnn1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000009840458 1070370350 /nfs/dbraw/zinc/37/03/50/1070370350.db2.gz ZWROKJQBXJEOOA-UHFFFAOYSA-N 0 0 469.483 0.928 20 30 JCEDRN CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)C1=O ZINC000009946026 1070371371 /nfs/dbraw/zinc/37/13/71/1070371371.db2.gz DWUITCIDTHIBIW-HXUWFJFHSA-N 0 0 479.515 0.359 20 30 JCEDRN CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)C1=O ZINC000009946027 1070371073 /nfs/dbraw/zinc/37/10/73/1070371073.db2.gz DWUITCIDTHIBIW-FQEVSTJZSA-N 0 0 479.515 0.359 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010045028 1070371724 /nfs/dbraw/zinc/37/17/24/1070371724.db2.gz WNQZIZQARWLMAU-UHFFFAOYSA-N 0 0 455.397 0.915 20 30 JCEDRN CCn1c(CCC(=O)OCC(=O)NCCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000010056341 1070371541 /nfs/dbraw/zinc/37/15/41/1070371541.db2.gz SYMGTQDTCWQELT-UHFFFAOYSA-N 0 0 477.543 0.583 20 30 JCEDRN C=CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC ZINC000010056366 1070371582 /nfs/dbraw/zinc/37/15/82/1070371582.db2.gz GUOFYZHLAHWADW-UHFFFAOYSA-N 0 0 464.544 0.855 20 30 JCEDRN N#CCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000010070510 1070371763 /nfs/dbraw/zinc/37/17/63/1070371763.db2.gz LJVQMTMWYBKNEH-UHFFFAOYSA-N 0 0 451.501 0.822 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000010070681 1070371600 /nfs/dbraw/zinc/37/16/00/1070371600.db2.gz BVQBEPOZYHOARQ-UHFFFAOYSA-N 0 0 481.527 0.804 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000010097567 1070371783 /nfs/dbraw/zinc/37/17/83/1070371783.db2.gz HQEDKCBKHYWTDF-UHFFFAOYSA-N 0 0 480.568 0.740 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000010149860 1070372218 /nfs/dbraw/zinc/37/22/18/1070372218.db2.gz ITNQHEKMOLNKIS-UHFFFAOYSA-N 0 0 452.464 0.659 20 30 JCEDRN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)C1=O ZINC000010167108 1070372197 /nfs/dbraw/zinc/37/21/97/1070372197.db2.gz JOSDHMSJWZCITQ-UHFFFAOYSA-N 0 0 493.542 0.750 20 30 JCEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C#N ZINC000010192292 1070372324 /nfs/dbraw/zinc/37/23/24/1070372324.db2.gz HEAKUIKSRCWYIJ-UHFFFAOYSA-N 0 0 489.492 0.895 20 30 JCEDRN C=CCn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nnc1-c1cccnc1 ZINC000010196370 1070372282 /nfs/dbraw/zinc/37/22/82/1070372282.db2.gz RXRKJHAKUMXQKI-QGZVFWFLSA-N 0 0 462.601 0.950 20 30 JCEDRN C=CCn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1-c1cccnc1 ZINC000010196371 1070372070 /nfs/dbraw/zinc/37/20/70/1070372070.db2.gz RXRKJHAKUMXQKI-KRWDZBQOSA-N 0 0 462.601 0.950 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000010207956 1070372178 /nfs/dbraw/zinc/37/21/78/1070372178.db2.gz DUURDPHTBGEJDJ-UHFFFAOYSA-N 0 0 457.531 0.335 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000010263271 1070372412 /nfs/dbraw/zinc/37/24/12/1070372412.db2.gz JKIFGSJNUOFILC-UHFFFAOYSA-N 0 0 451.501 0.845 20 30 JCEDRN Cn1c(CCC(=O)OCC(=O)NCCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000010265308 1070372783 /nfs/dbraw/zinc/37/27/83/1070372783.db2.gz ZCWKPNBSVQMNIY-UHFFFAOYSA-N 0 0 463.516 0.100 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000010265320 1070372570 /nfs/dbraw/zinc/37/25/70/1070372570.db2.gz BHYPGRHCXKIYQD-UHFFFAOYSA-N 0 0 493.542 0.082 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO ZINC000010351017 1070372796 /nfs/dbraw/zinc/37/27/96/1070372796.db2.gz BIMLYAKLHASDDZ-JLTOFOAXSA-N 0 0 454.549 0.941 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO ZINC000010351018 1070372831 /nfs/dbraw/zinc/37/28/31/1070372831.db2.gz BIMLYAKLHASDDZ-VLIAUNLRSA-N 0 0 454.549 0.941 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO ZINC000010351019 1070372636 /nfs/dbraw/zinc/37/26/36/1070372636.db2.gz BIMLYAKLHASDDZ-VBKZILBWSA-N 0 0 454.549 0.941 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO ZINC000010351020 1070372814 /nfs/dbraw/zinc/37/28/14/1070372814.db2.gz BIMLYAKLHASDDZ-XOBRGWDASA-N 0 0 454.549 0.941 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000010351230 1070372552 /nfs/dbraw/zinc/37/25/52/1070372552.db2.gz DQSPOIQYUABUAB-JLTOFOAXSA-N 0 0 452.533 0.770 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000010351231 1070372892 /nfs/dbraw/zinc/37/28/92/1070372892.db2.gz DQSPOIQYUABUAB-VLIAUNLRSA-N 0 0 452.533 0.770 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000010351232 1070372909 /nfs/dbraw/zinc/37/29/09/1070372909.db2.gz DQSPOIQYUABUAB-VBKZILBWSA-N 0 0 452.533 0.770 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000010351233 1070372619 /nfs/dbraw/zinc/37/26/19/1070372619.db2.gz DQSPOIQYUABUAB-XOBRGWDASA-N 0 0 452.533 0.770 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(CCC#N)CCC#N ZINC000010373485 1070372737 /nfs/dbraw/zinc/37/27/37/1070372737.db2.gz QRBVSVNXXDBHOE-UHFFFAOYSA-N 0 0 464.500 0.529 20 30 JCEDRN COCCN1C(=O)C(=C(Nc2c(C#N)cnn2-c2ccccc2)[C@H](F)C(=O)OC)C(=O)NC1=S ZINC000010384374 1070373170 /nfs/dbraw/zinc/37/31/70/1070373170.db2.gz ADFALZZMYYPSKB-IDTYTIONSA-N 0 0 486.485 0.811 20 30 JCEDRN COCCN1C(=O)C(=C(Nc2c(C#N)cnn2-c2ccccc2)[C@@H](F)C(=O)OC)C(=O)NC1=S ZINC000010384376 1070373365 /nfs/dbraw/zinc/37/33/65/1070373365.db2.gz ADFALZZMYYPSKB-DPEHCCBOSA-N 0 0 486.485 0.811 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000010451554 1070373396 /nfs/dbraw/zinc/37/33/96/1070373396.db2.gz XLYOVRVHCDBCIT-UHFFFAOYSA-N 0 0 473.536 0.130 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2)cc1 ZINC000010451861 1070373306 /nfs/dbraw/zinc/37/33/06/1070373306.db2.gz BOFKAKYVPXMZRG-UHFFFAOYSA-N 0 0 468.582 0.821 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 ZINC000010451973 1070373321 /nfs/dbraw/zinc/37/33/21/1070373321.db2.gz YZBYXQZAPNDGTE-UHFFFAOYSA-N 0 0 459.528 0.646 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000010452464 1070373152 /nfs/dbraw/zinc/37/31/52/1070373152.db2.gz GKIKAAFWTXELIE-UHFFFAOYSA-N 0 0 480.543 0.899 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000010452703 1070373098 /nfs/dbraw/zinc/37/30/98/1070373098.db2.gz HKNOYNRPBFKFII-UHFFFAOYSA-N 0 0 462.553 0.955 20 30 JCEDRN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000010453048 1070373655 /nfs/dbraw/zinc/37/36/55/1070373655.db2.gz WAHGLTJSGANVHU-UHFFFAOYSA-N 0 0 476.580 0.932 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)cc1 ZINC000010453194 1070373597 /nfs/dbraw/zinc/37/35/97/1070373597.db2.gz YVXVAFAVWGRPGG-UHFFFAOYSA-N 0 0 467.507 0.757 20 30 JCEDRN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000010453324 1070373618 /nfs/dbraw/zinc/37/36/18/1070373618.db2.gz OKXPZPZTQQGURJ-UHFFFAOYSA-N 0 0 468.543 0.661 20 30 JCEDRN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000010453376 1070373712 /nfs/dbraw/zinc/37/37/12/1070373712.db2.gz UAZXUNORVXZVSY-UHFFFAOYSA-N 0 0 454.516 0.271 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000010453389 1070373868 /nfs/dbraw/zinc/37/38/68/1070373868.db2.gz OMGFYOAKMKESOL-UHFFFAOYSA-N 0 0 457.468 0.729 20 30 JCEDRN CCS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000010453460 1070373804 /nfs/dbraw/zinc/37/38/04/1070373804.db2.gz UFUZWYFKTMEXPD-UHFFFAOYSA-N 0 0 454.574 0.453 20 30 JCEDRN CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000010453601 1070373636 /nfs/dbraw/zinc/37/36/36/1070373636.db2.gz MLFMCQJKMIQCBB-UHFFFAOYSA-N 0 0 478.552 0.887 20 30 JCEDRN CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 ZINC000010453734 1070373819 /nfs/dbraw/zinc/37/38/19/1070373819.db2.gz DBQOJMVCAUNENW-UHFFFAOYSA-N 0 0 482.609 0.858 20 30 JCEDRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000010453828 1069509571 /nfs/dbraw/zinc/50/95/71/1069509571.db2.gz YTSFPVYJPRWUMQ-INIZCTEOSA-N 0 0 492.579 0.767 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000010473787 1070373851 /nfs/dbraw/zinc/37/38/51/1070373851.db2.gz ABIQAPJUCQSFEG-HXUWFJFHSA-N 0 0 453.517 0.927 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000010473788 1070373885 /nfs/dbraw/zinc/37/38/85/1070373885.db2.gz ABIQAPJUCQSFEG-FQEVSTJZSA-N 0 0 453.517 0.927 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000010473794 1070373842 /nfs/dbraw/zinc/37/38/42/1070373842.db2.gz VGWXVJPEGXSPBI-UHFFFAOYSA-N 0 0 464.500 0.529 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000010474247 1070373674 /nfs/dbraw/zinc/37/36/74/1070373674.db2.gz WHXTVHDIJIMRAD-HXUWFJFHSA-N 0 0 451.501 0.681 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000010474250 1070373750 /nfs/dbraw/zinc/37/37/50/1070373750.db2.gz WHXTVHDIJIMRAD-FQEVSTJZSA-N 0 0 451.501 0.681 20 30 JCEDRN C=CCn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nnc1-c1ccncc1 ZINC000010491820 1070373793 /nfs/dbraw/zinc/37/37/93/1070373793.db2.gz JABBRPKQAJOSEE-QGZVFWFLSA-N 0 0 462.601 0.950 20 30 JCEDRN C=CCn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1-c1ccncc1 ZINC000010491832 1070373772 /nfs/dbraw/zinc/37/37/72/1070373772.db2.gz JABBRPKQAJOSEE-KRWDZBQOSA-N 0 0 462.601 0.950 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)CC1 ZINC000010576294 1070374256 /nfs/dbraw/zinc/37/42/56/1070374256.db2.gz LTVGWNUJXUFMCW-UHFFFAOYSA-N 0 0 489.510 0.834 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000010666650 1070374238 /nfs/dbraw/zinc/37/42/38/1070374238.db2.gz JSNCMAPISWPZQJ-UHFFFAOYSA-N 0 0 468.557 0.902 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000010666738 1070374336 /nfs/dbraw/zinc/37/43/36/1070374336.db2.gz LVSWTQZPISTJAV-UHFFFAOYSA-N 0 0 468.557 0.902 20 30 JCEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)C2=O)cc1 ZINC000010682043 1070374122 /nfs/dbraw/zinc/37/41/22/1070374122.db2.gz WXEUXARFZYPUFS-XMMPIXPASA-N 0 0 495.492 0.846 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)C2=O)cc1 ZINC000010682045 1070374043 /nfs/dbraw/zinc/37/40/43/1070374043.db2.gz WXEUXARFZYPUFS-DEOSSOPVSA-N 0 0 495.492 0.846 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000010689736 1070374272 /nfs/dbraw/zinc/37/42/72/1070374272.db2.gz VPSLYEYUQKMELC-HXUWFJFHSA-N 0 0 450.517 0.689 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000010689745 1070374184 /nfs/dbraw/zinc/37/41/84/1070374184.db2.gz VPSLYEYUQKMELC-FQEVSTJZSA-N 0 0 450.517 0.689 20 30 JCEDRN N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCCCC1 ZINC000010690299 1070374100 /nfs/dbraw/zinc/37/41/00/1070374100.db2.gz TXLIWRCUPURLEY-UHFFFAOYSA-N 0 0 462.528 0.978 20 30 JCEDRN CC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)C1 ZINC000010752283 1070374765 /nfs/dbraw/zinc/37/47/65/1070374765.db2.gz KELMXJZZGDMYKG-HNNXBMFYSA-N 0 0 450.517 0.897 20 30 JCEDRN CC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)C1 ZINC000010752306 1070374784 /nfs/dbraw/zinc/37/47/84/1070374784.db2.gz KELMXJZZGDMYKG-OAHLLOKOSA-N 0 0 450.517 0.897 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)Nc2sccc2C#N)c1 ZINC000010773879 1070374823 /nfs/dbraw/zinc/37/48/23/1070374823.db2.gz GSEFQQFCBIZKNU-UHFFFAOYSA-N 0 0 452.514 0.994 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NC2(C#N)CCCCC2)c1 ZINC000010775827 1070374468 /nfs/dbraw/zinc/37/44/68/1070374468.db2.gz KFHFJGYMYUUKPK-UHFFFAOYSA-N 0 0 452.533 0.765 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000010792194 1070374842 /nfs/dbraw/zinc/37/48/42/1070374842.db2.gz XMNOLTCUJSUQQY-UHFFFAOYSA-N 0 0 453.498 0.594 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000010792196 1070374536 /nfs/dbraw/zinc/37/45/36/1070374536.db2.gz OMROZQXHWCGPDC-UHFFFAOYSA-N 0 0 453.498 0.594 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c1 ZINC000010792337 1070374859 /nfs/dbraw/zinc/37/48/59/1070374859.db2.gz OLEFZNFCIVLHFB-UHFFFAOYSA-N 0 0 478.527 0.289 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000010792399 1070374804 /nfs/dbraw/zinc/37/48/04/1070374804.db2.gz OINXMDNNTHSSNP-ZDUSSCGKSA-N 0 0 467.525 0.982 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000010792401 1070374729 /nfs/dbraw/zinc/37/47/29/1070374729.db2.gz OINXMDNNTHSSNP-CYBMUJFWSA-N 0 0 467.525 0.982 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 ZINC000010792461 1070374488 /nfs/dbraw/zinc/37/44/88/1070374488.db2.gz BFAOFMBJEFBFPI-UHFFFAOYSA-N 0 0 478.527 0.840 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1=O ZINC000010850402 1070374557 /nfs/dbraw/zinc/37/45/57/1070374557.db2.gz NUHNCBPDSLOUQM-UHFFFAOYSA-N 0 0 481.918 0.215 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1=O ZINC000010850672 1070374747 /nfs/dbraw/zinc/37/47/47/1070374747.db2.gz ZTGCBUZRNNCBCM-UHFFFAOYSA-N 0 0 481.918 0.215 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1=O ZINC000010851245 1070374708 /nfs/dbraw/zinc/37/47/08/1070374708.db2.gz AAPMYDZHPHSOEW-UHFFFAOYSA-N 0 0 475.527 0.723 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1=O ZINC000010851261 1070375050 /nfs/dbraw/zinc/37/50/50/1070375050.db2.gz YBUKSXFUVHUWQD-UHFFFAOYSA-N 0 0 475.527 0.723 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)c1=O ZINC000010851373 1070375250 /nfs/dbraw/zinc/37/52/50/1070375250.db2.gz MHPXNDOQXNCRTF-UHFFFAOYSA-N 0 0 472.527 0.791 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1=O ZINC000010851500 1070375155 /nfs/dbraw/zinc/37/51/55/1070375155.db2.gz QSGBRRSLZRUFAR-HUUCEWRRSA-N 0 0 475.527 0.338 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1=O ZINC000010851508 1070375269 /nfs/dbraw/zinc/37/52/69/1070375269.db2.gz QSGBRRSLZRUFAR-GJZGRUSLSA-N 0 0 475.527 0.338 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1=O ZINC000010851630 1070375193 /nfs/dbraw/zinc/37/51/93/1070375193.db2.gz LFLUBEPOAAIBGF-UHFFFAOYSA-N 0 0 481.534 0.588 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)c1 ZINC000010853277 1069511349 /nfs/dbraw/zinc/51/13/49/1069511349.db2.gz KOFDSIYKOIBAGH-UHFFFAOYSA-N 0 0 463.516 0.579 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1=O ZINC000010854914 1070375132 /nfs/dbraw/zinc/37/51/32/1070375132.db2.gz YUVQFVLYYYJIRL-UHFFFAOYSA-N 0 0 483.909 0.227 20 30 JCEDRN CCOc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)cc1S(=O)(=O)N(CC)CC ZINC000010855107 1069510729 /nfs/dbraw/zinc/51/07/29/1069510729.db2.gz LTTMNHMVFFRNNL-UHFFFAOYSA-N 0 0 477.543 0.969 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1=O ZINC000010855330 1069511294 /nfs/dbraw/zinc/51/12/94/1069511294.db2.gz BVVKCFXQEUQMPL-UHFFFAOYSA-N 0 0 459.528 0.052 20 30 JCEDRN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)c(=O)[nH]c1=O ZINC000010855335 1069510698 /nfs/dbraw/zinc/51/06/98/1069510698.db2.gz HMLXBEQKCFVXDO-UHFFFAOYSA-N 0 0 493.524 0.367 20 30 JCEDRN CCCCn1c(N)c(N(C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)C2CCCC2)c(=O)[nH]c1=O ZINC000010855342 1070375071 /nfs/dbraw/zinc/37/50/71/1070375071.db2.gz WICNUOKGIMIYOF-UHFFFAOYSA-N 0 0 471.518 0.110 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCC#N)CC2)cc1 ZINC000010901973 1070374992 /nfs/dbraw/zinc/37/49/92/1070374992.db2.gz CEQBCFXKZUGWBA-UHFFFAOYSA-N 0 0 451.501 0.837 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC000010902286 1070375032 /nfs/dbraw/zinc/37/50/32/1070375032.db2.gz PIVQIEANOAQEOQ-UHFFFAOYSA-N 0 0 481.527 0.819 20 30 JCEDRN Cc1cc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1Cl ZINC000010906763 1070375091 /nfs/dbraw/zinc/37/50/91/1070375091.db2.gz RIXWNSXSCIZJDA-UHFFFAOYSA-N 0 0 472.889 0.886 20 30 JCEDRN Cc1ccc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C ZINC000010906769 1070375013 /nfs/dbraw/zinc/37/50/13/1070375013.db2.gz VZCLCDFQLZKLQG-UHFFFAOYSA-N 0 0 452.471 0.541 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000010912840 1070375356 /nfs/dbraw/zinc/37/53/56/1070375356.db2.gz GZVHIWVLGLERKO-MRXNPFEDSA-N 0 0 496.567 0.811 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000010912844 1070375287 /nfs/dbraw/zinc/37/52/87/1070375287.db2.gz GZVHIWVLGLERKO-INIZCTEOSA-N 0 0 496.567 0.811 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000010931551 1070375231 /nfs/dbraw/zinc/37/52/31/1070375231.db2.gz QLGGBQNVWQWPMP-UHFFFAOYSA-N 0 0 452.464 0.659 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000010938996 1070375214 /nfs/dbraw/zinc/37/52/14/1070375214.db2.gz ZKMKCFVWYIVMAJ-BQYQJAHWSA-N 0 0 457.487 0.606 20 30 JCEDRN Cc1cc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Cl ZINC000010952909 1070375109 /nfs/dbraw/zinc/37/51/09/1070375109.db2.gz MLSQZIDGLQSAFL-UHFFFAOYSA-N 0 0 472.889 0.886 20 30 JCEDRN Cc1ccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C ZINC000010952913 1070375173 /nfs/dbraw/zinc/37/51/73/1070375173.db2.gz BMQSIHFVUXSOEY-UHFFFAOYSA-N 0 0 452.471 0.541 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N(C)CC(=O)N3CCOCC3)n2c2ccccc2c1=O ZINC000011022823 1070375565 /nfs/dbraw/zinc/37/55/65/1070375565.db2.gz FGAMOSACUQHMQA-UHFFFAOYSA-N 0 0 456.528 0.640 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000011054148 1070375623 /nfs/dbraw/zinc/37/56/23/1070375623.db2.gz BXVCGVBHAUYTAM-ZDUSSCGKSA-N 0 0 459.908 0.966 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000011054151 1070375473 /nfs/dbraw/zinc/37/54/73/1070375473.db2.gz BXVCGVBHAUYTAM-CYBMUJFWSA-N 0 0 459.908 0.966 20 30 JCEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C#N ZINC000011149828 1070059531 /nfs/dbraw/zinc/05/95/31/1070059531.db2.gz ZXAGDLUPQCVWJJ-UHFFFAOYSA-N 0 0 489.492 0.895 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCc3cc(=O)n(C)c(=O)n3C)n2c2ccccc2c1=O ZINC000011203536 1070376943 /nfs/dbraw/zinc/37/69/43/1070376943.db2.gz XVCZPJAUCJNHRA-UHFFFAOYSA-N 0 0 468.495 0.463 20 30 JCEDRN Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)n(N)c1=O ZINC000011205988 1070376781 /nfs/dbraw/zinc/37/67/81/1070376781.db2.gz FTOOFKSTKJHLHK-UHFFFAOYSA-N 0 0 465.561 0.642 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000011263018 1070377881 /nfs/dbraw/zinc/37/78/81/1070377881.db2.gz HWZQSUOZCCWZAK-UHFFFAOYSA-N 0 0 461.500 0.241 20 30 JCEDRN COc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000011263032 1070377763 /nfs/dbraw/zinc/37/77/63/1070377763.db2.gz JWVFHXATLAXILN-UHFFFAOYSA-N 0 0 461.500 0.241 20 30 JCEDRN C=CCOC(=O)c1sc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C(=O)OCC)c1C ZINC000011263428 1070377653 /nfs/dbraw/zinc/37/76/53/1070377653.db2.gz YIVUGAMRZQAOQV-UHFFFAOYSA-N 0 0 460.468 0.947 20 30 JCEDRN Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000011264349 1070377508 /nfs/dbraw/zinc/37/75/08/1070377508.db2.gz QBYFGQNRKRTYJL-UHFFFAOYSA-N 0 0 487.476 0.351 20 30 JCEDRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1 ZINC000011265243 1070377613 /nfs/dbraw/zinc/37/76/13/1070377613.db2.gz LWJNLDVSJJWYPX-UHFFFAOYSA-N 0 0 467.507 0.878 20 30 JCEDRN CCOc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N(CC)CC ZINC000011265308 1070377784 /nfs/dbraw/zinc/37/77/84/1070377784.db2.gz ILAZDPPITTUFCD-UHFFFAOYSA-N 0 0 463.516 0.487 20 30 JCEDRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000011275120 1070377573 /nfs/dbraw/zinc/37/75/73/1070377573.db2.gz SNZZYPQKGJRVIM-UHFFFAOYSA-N 0 0 457.487 0.691 20 30 JCEDRN Cc1ccc(N(CCC#N)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C ZINC000011280098 1070377803 /nfs/dbraw/zinc/37/78/03/1070377803.db2.gz VEQPTKKCNDAQGM-UHFFFAOYSA-N 0 0 466.498 0.931 20 30 JCEDRN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)c1 ZINC000011343952 1070378718 /nfs/dbraw/zinc/37/87/18/1070378718.db2.gz FXTKHWROIVXGSZ-UHFFFAOYSA-N 0 0 494.551 0.861 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 ZINC000011351953 1070378552 /nfs/dbraw/zinc/37/85/52/1070378552.db2.gz AJZKXNFOEDHWAT-UHFFFAOYSA-N 0 0 450.494 0.797 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000011352085 1070378591 /nfs/dbraw/zinc/37/85/91/1070378591.db2.gz LUPXBRHXLJKMOD-MRXNPFEDSA-N 0 0 494.551 0.258 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000011352087 1070378677 /nfs/dbraw/zinc/37/86/77/1070378677.db2.gz LUPXBRHXLJKMOD-INIZCTEOSA-N 0 0 494.551 0.258 20 30 JCEDRN COc1ccc(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000011354083 1070378940 /nfs/dbraw/zinc/37/89/40/1070378940.db2.gz HLCCGEFVLNISFD-OAQYLSRUSA-N 0 0 465.528 0.610 20 30 JCEDRN COc1ccc(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000011354084 1070378799 /nfs/dbraw/zinc/37/87/99/1070378799.db2.gz HLCCGEFVLNISFD-NRFANRHFSA-N 0 0 465.528 0.610 20 30 JCEDRN Cc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000011457043 1070380817 /nfs/dbraw/zinc/38/08/17/1070380817.db2.gz XFXPSUKAVXYINU-UHFFFAOYSA-N 0 0 459.528 0.931 20 30 JCEDRN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 ZINC000011457941 1070380922 /nfs/dbraw/zinc/38/09/22/1070380922.db2.gz CFUNPLLTEGQMSS-UHFFFAOYSA-N 0 0 453.480 0.882 20 30 JCEDRN Cn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)c1=O ZINC000011458645 1070380725 /nfs/dbraw/zinc/38/07/25/1070380725.db2.gz BXOPIPBMGWHYHP-UHFFFAOYSA-N 0 0 458.500 0.308 20 30 JCEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1=O ZINC000011458831 1070380779 /nfs/dbraw/zinc/38/07/79/1070380779.db2.gz UJVYGFCZPCIKSV-UHFFFAOYSA-N 0 0 467.507 0.105 20 30 JCEDRN CCOc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000011460962 1070380761 /nfs/dbraw/zinc/38/07/61/1070380761.db2.gz INUUTDUOJNNXAP-UHFFFAOYSA-N 0 0 475.527 0.631 20 30 JCEDRN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000011460988 1070381068 /nfs/dbraw/zinc/38/10/68/1070381068.db2.gz ZWOZIBXNMKJDMP-UHFFFAOYSA-N 0 0 475.527 0.631 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCCC#N)CC2)cc1 ZINC000011674419 1070390388 /nfs/dbraw/zinc/39/03/88/1070390388.db2.gz QXIQZPUAJMWZMF-UHFFFAOYSA-N 0 0 450.517 0.181 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000011674668 1070390330 /nfs/dbraw/zinc/39/03/30/1070390330.db2.gz UXFLROQKXSWOEZ-UHFFFAOYSA-N 0 0 480.543 0.163 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000011674827 1070390462 /nfs/dbraw/zinc/39/04/62/1070390462.db2.gz BGGALLOURQFYIA-QHCPKHFHSA-N 0 0 490.582 0.960 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000011674832 1070390349 /nfs/dbraw/zinc/39/03/49/1070390349.db2.gz BGGALLOURQFYIA-HSZRJFAPSA-N 0 0 490.582 0.960 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000011675676 1070390562 /nfs/dbraw/zinc/39/05/62/1070390562.db2.gz NFMVNYYGAWFWAZ-JOCHJYFZSA-N 0 0 478.571 0.897 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000011675680 1070390639 /nfs/dbraw/zinc/39/06/39/1070390639.db2.gz NFMVNYYGAWFWAZ-QFIPXVFZSA-N 0 0 478.571 0.897 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000011676112 1070390424 /nfs/dbraw/zinc/39/04/24/1070390424.db2.gz KMYFQVYIDZCGCX-JOCHJYFZSA-N 0 0 476.555 0.651 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000011676117 1070390659 /nfs/dbraw/zinc/39/06/59/1070390659.db2.gz KMYFQVYIDZCGCX-QFIPXVFZSA-N 0 0 476.555 0.651 20 30 JCEDRN N#CCCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000011676762 1070390484 /nfs/dbraw/zinc/39/04/84/1070390484.db2.gz OECLDUVWCBFZLG-UHFFFAOYSA-N 0 0 470.935 0.526 20 30 JCEDRN C=CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000011676893 1070390283 /nfs/dbraw/zinc/39/02/83/1070390283.db2.gz MXCGKTSHDOHJIR-UHFFFAOYSA-N 0 0 457.936 0.799 20 30 JCEDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCCC#N)CC2)c1 ZINC000011677244 1070390544 /nfs/dbraw/zinc/39/05/44/1070390544.db2.gz JXDWUPLXVSNQCY-UHFFFAOYSA-N 0 0 464.544 0.490 20 30 JCEDRN C=CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000011677334 1070390601 /nfs/dbraw/zinc/39/06/01/1070390601.db2.gz DLDHHYUBWYKLKO-UHFFFAOYSA-N 0 0 451.545 0.762 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000011677377 1070390313 /nfs/dbraw/zinc/39/03/13/1070390313.db2.gz REJVJENQZNREIH-UHFFFAOYSA-N 0 0 494.570 0.472 20 30 JCEDRN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000011966589 1070403840 /nfs/dbraw/zinc/40/38/40/1070403840.db2.gz GTXWFIREDBORMW-KEDPEKRHSA-N 0 0 452.485 0.829 20 30 JCEDRN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000011966590 1070403799 /nfs/dbraw/zinc/40/37/99/1070403799.db2.gz GTXWFIREDBORMW-ZKKXHLJNSA-N 0 0 452.485 0.829 20 30 JCEDRN C=CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000012046328 1070404032 /nfs/dbraw/zinc/40/40/32/1070404032.db2.gz PFSLYNRITFVPGM-UHFFFAOYSA-N 0 0 450.517 0.372 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000012057911 1070404166 /nfs/dbraw/zinc/40/41/66/1070404166.db2.gz VAOADFKZTXPLIT-UHFFFAOYSA-N 0 0 455.475 0.638 20 30 JCEDRN C=CCn1c2nnc(S[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2c2ccccc2c1=O ZINC000012427489 1070404047 /nfs/dbraw/zinc/40/40/47/1070404047.db2.gz LSGYGAPJZZPJEG-LLVKDONJSA-N 0 0 467.511 0.573 20 30 JCEDRN C=CCn1c2nnc(S[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2c2ccccc2c1=O ZINC000012427490 1070403905 /nfs/dbraw/zinc/40/39/05/1070403905.db2.gz LSGYGAPJZZPJEG-NSHDSACASA-N 0 0 467.511 0.573 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2c2ccccc2c1=O ZINC000012427637 1069646750 /nfs/dbraw/zinc/64/67/50/1069646750.db2.gz VWCZCEFPEZWKMK-UHFFFAOYSA-N 0 0 453.484 0.185 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCc3nc(N)nc(N(C)C)n3)n2c2ccccc2c1=O ZINC000012463950 1070403867 /nfs/dbraw/zinc/40/38/67/1070403867.db2.gz POIFWVMIFLDMJF-UHFFFAOYSA-N 0 0 467.515 0.899 20 30 JCEDRN CN1c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2CC1=O ZINC000012487273 1070404096 /nfs/dbraw/zinc/40/40/96/1070404096.db2.gz YFFULITYMSCOGW-UHFFFAOYSA-N 0 0 460.537 0.772 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000012618666 1070403929 /nfs/dbraw/zinc/40/39/29/1070403929.db2.gz HHIUXSJYZFRPFE-UHFFFAOYSA-N 0 0 471.564 0.626 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)n(C)c1=O ZINC000013104971 1067850803 /nfs/dbraw/zinc/85/08/03/1067850803.db2.gz JNDUFAMEFOHWNN-UHFFFAOYSA-N 0 0 467.555 0.455 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1 ZINC000014079812 1067958766 /nfs/dbraw/zinc/95/87/66/1067958766.db2.gz SYADCCJYOWFXGN-UHFFFAOYSA-N 0 0 453.480 0.095 20 30 JCEDRN CN1c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2CC1=O ZINC000014096911 1067959618 /nfs/dbraw/zinc/95/96/18/1067959618.db2.gz DCQHOKMNSWLSGQ-UHFFFAOYSA-N 0 0 460.537 0.772 20 30 JCEDRN Cn1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1=O ZINC000014147003 1067963326 /nfs/dbraw/zinc/96/33/26/1067963326.db2.gz HNHFFPAORNWDQD-NVNXTCNLSA-N 0 0 457.443 0.410 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1Sc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000014222973 1067966268 /nfs/dbraw/zinc/96/62/68/1067966268.db2.gz LUXXHDKJKLQXPG-UHFFFAOYSA-N 0 0 490.567 0.497 20 30 JCEDRN COc1ccc(-c2nnn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc1OC ZINC000014281265 1067967935 /nfs/dbraw/zinc/96/79/35/1067967935.db2.gz WDQNXJJPKLDNHT-UHFFFAOYSA-N 0 0 497.537 0.762 20 30 JCEDRN CC[C@H](c1nnc(Sc2c(C#N)c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1)N(C)C ZINC000014287940 1067968327 /nfs/dbraw/zinc/96/83/27/1067968327.db2.gz IQIQEWZSEUFUPO-OAHLLOKOSA-N 0 0 462.580 0.043 20 30 JCEDRN CC[C@@H](c1nnc(Sc2c(C#N)c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1)N(C)C ZINC000014287941 1067807278 /nfs/dbraw/zinc/80/72/78/1067807278.db2.gz IQIQEWZSEUFUPO-HNNXBMFYSA-N 0 0 462.580 0.043 20 30 JCEDRN Cn1c(=O)c(C#N)c(Sc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)n(C)c1=O ZINC000014288271 1067968528 /nfs/dbraw/zinc/96/85/28/1067968528.db2.gz OUIGCVQQGSBNNQ-UHFFFAOYSA-N 0 0 471.518 0.837 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1=O ZINC000014344931 1067971451 /nfs/dbraw/zinc/97/14/51/1067971451.db2.gz QSGBRRSLZRUFAR-GASCZTMLSA-N 0 0 475.527 0.338 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(S(=O)(=O)N=C3CCCCCN3)c1)c(=O)n2C ZINC000014622573 1067976558 /nfs/dbraw/zinc/97/65/58/1067976558.db2.gz HWJNQVCUMAHRGK-UHFFFAOYSA-N 0 0 487.542 0.323 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000014701337 1070155074 /nfs/dbraw/zinc/15/50/74/1070155074.db2.gz CPWXWSDVZPPLQN-UHFFFAOYSA-N 0 0 477.564 0.549 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000014711406 1070155158 /nfs/dbraw/zinc/15/51/58/1070155158.db2.gz PCKUBOLSTZGUQE-UHFFFAOYSA-N 0 0 477.564 0.549 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc2C1=O ZINC000014721434 1067976985 /nfs/dbraw/zinc/97/69/85/1067976985.db2.gz BTBMFKRYZWATPA-UHFFFAOYSA-N 0 0 469.498 0.850 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 ZINC000014731398 1070156165 /nfs/dbraw/zinc/15/61/65/1070156165.db2.gz GUEBPSWBSGWTHC-UHFFFAOYSA-N 0 0 454.552 0.672 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000014795223 1067977561 /nfs/dbraw/zinc/97/75/61/1067977561.db2.gz WEHLZOBWMYTBOC-UHFFFAOYSA-N 0 0 475.958 0.955 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000014868548 1067978672 /nfs/dbraw/zinc/97/86/72/1067978672.db2.gz XIIADBSPVXJMRY-OAHLLOKOSA-N 0 0 455.539 0.824 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000014868550 1067978629 /nfs/dbraw/zinc/97/86/29/1067978629.db2.gz XIIADBSPVXJMRY-HNNXBMFYSA-N 0 0 455.539 0.824 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000014896608 1067980122 /nfs/dbraw/zinc/98/01/22/1067980122.db2.gz MIFJEYVKXSBBHM-UHFFFAOYSA-N 0 0 493.545 0.463 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)N(CCOC)c3c(N)n(CCC)c(=O)[nH]c3=O)cc2C1=O ZINC000014911676 1067980923 /nfs/dbraw/zinc/98/09/23/1067980923.db2.gz ZQIHLUSLXUAIOU-UHFFFAOYSA-N 0 0 455.471 0.604 20 30 JCEDRN N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000015118259 1068011739 /nfs/dbraw/zinc/01/17/39/1068011739.db2.gz YNSQDUOBDBZRJR-UHFFFAOYSA-N 0 0 451.486 0.625 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000015118347 1068194065 /nfs/dbraw/zinc/19/40/65/1068194065.db2.gz ZCAHJHGADKTVGP-UHFFFAOYSA-N 0 0 451.486 0.625 20 30 JCEDRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000015118382 1068011462 /nfs/dbraw/zinc/01/14/62/1068011462.db2.gz AKARQOSBTVGJNT-UHFFFAOYSA-N 0 0 465.513 0.885 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)CC1 ZINC000015118406 1068011414 /nfs/dbraw/zinc/01/14/14/1068011414.db2.gz QIDLIOOCWFPYJU-UHFFFAOYSA-N 0 0 490.611 0.400 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000015171050 1068052068 /nfs/dbraw/zinc/05/20/68/1068052068.db2.gz MSWAUMVKVKKRJL-UHFFFAOYSA-N 0 0 451.486 0.625 20 30 JCEDRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 ZINC000015171070 1068050240 /nfs/dbraw/zinc/05/02/40/1068050240.db2.gz BKBDCEJDAUSCSN-UHFFFAOYSA-N 0 0 465.513 0.885 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)CC1 ZINC000015171072 1068051956 /nfs/dbraw/zinc/05/19/56/1068051956.db2.gz WECJVWWRWXVVPX-UHFFFAOYSA-N 0 0 490.611 0.400 20 30 JCEDRN N#CCCNC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015186105 1070167398 /nfs/dbraw/zinc/16/73/98/1070167398.db2.gz GMCUSSZPUKLRML-UHFFFAOYSA-N 0 0 460.306 0.657 20 30 JCEDRN Cn1c2ncn(CC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)c2c(=O)n(C)c1=O ZINC000015224650 1070168036 /nfs/dbraw/zinc/16/80/36/1070168036.db2.gz ZJYBPFJMHJHONN-UHFFFAOYSA-N 0 0 487.542 0.323 20 30 JCEDRN CC(C)CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015329014 1069351071 /nfs/dbraw/zinc/35/10/71/1069351071.db2.gz WOBDRKNKLSYORR-UHFFFAOYSA-N 0 0 490.586 0.956 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000015358544 1068111917 /nfs/dbraw/zinc/11/19/17/1068111917.db2.gz QESVSRLUYBXLSE-UHFFFAOYSA-N 0 0 498.608 0.504 20 30 JCEDRN CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CC1 ZINC000015401326 1068121107 /nfs/dbraw/zinc/12/11/07/1068121107.db2.gz OXWZLTQEEXUPAX-UHFFFAOYSA-N 0 0 471.605 0.453 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000015425399 1068125485 /nfs/dbraw/zinc/12/54/85/1068125485.db2.gz VMTOJVDHTNSPLK-UHFFFAOYSA-N 0 0 462.553 0.923 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000015425801 1068125630 /nfs/dbraw/zinc/12/56/30/1068125630.db2.gz XATGTVBZYMBVNF-UHFFFAOYSA-N 0 0 476.580 0.965 20 30 JCEDRN COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC ZINC000015527496 1069513186 /nfs/dbraw/zinc/51/31/86/1069513186.db2.gz LVGBRXXUXMWYIL-UHFFFAOYSA-N 0 0 472.523 0.838 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000015527504 1069513131 /nfs/dbraw/zinc/51/31/31/1069513131.db2.gz JHZYKMQMFQUKHM-UHFFFAOYSA-N 0 0 457.468 0.729 20 30 JCEDRN COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000015527645 1068181793 /nfs/dbraw/zinc/18/17/93/1068181793.db2.gz UIPLRGULUCWRAW-UHFFFAOYSA-N 0 0 487.494 0.738 20 30 JCEDRN COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000015527661 1069513217 /nfs/dbraw/zinc/51/32/17/1069513217.db2.gz WZCQVTXSGLLPMJ-UHFFFAOYSA-N 0 0 472.523 0.838 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000015527671 1068181774 /nfs/dbraw/zinc/18/17/74/1068181774.db2.gz JPTWUUQHIUVCIW-QZTJIDSGSA-N 0 0 458.540 0.956 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000015527679 1069513211 /nfs/dbraw/zinc/51/32/11/1069513211.db2.gz DFQJVSCKVKIJHY-UHFFFAOYSA-N 0 0 483.462 0.596 20 30 JCEDRN CCCCn1c(N)c(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O ZINC000015605252 1069557029 /nfs/dbraw/zinc/55/70/29/1069557029.db2.gz IAGLDIZSURKKRF-UHFFFAOYSA-N 0 0 488.570 0.854 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 ZINC000015616648 1068276096 /nfs/dbraw/zinc/27/60/96/1068276096.db2.gz XLSIFRRAAGWKHT-RTBURBONSA-N 0 0 458.540 0.956 20 30 JCEDRN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(OC)c1OCC(N)=O ZINC000015759984 1068290154 /nfs/dbraw/zinc/29/01/54/1068290154.db2.gz PISZNRPGHPBAFT-UHFFFAOYSA-N 0 0 488.522 0.586 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015834836 1068303659 /nfs/dbraw/zinc/30/36/59/1068303659.db2.gz FVWKLHVNFMOWSS-MRXNPFEDSA-N 0 0 492.579 0.900 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000015834839 1068304047 /nfs/dbraw/zinc/30/40/47/1068304047.db2.gz FVWKLHVNFMOWSS-INIZCTEOSA-N 0 0 492.579 0.900 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)cc1 ZINC000016067074 1069775898 /nfs/dbraw/zinc/77/58/98/1069775898.db2.gz GTLJKCQASSTDQE-UHFFFAOYSA-N 0 0 468.582 0.984 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000016085185 1068329338 /nfs/dbraw/zinc/32/93/38/1068329338.db2.gz HNFZRYHHOCNDTP-UHFFFAOYSA-N 0 0 498.608 0.504 20 30 JCEDRN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O ZINC000016106910 1068332053 /nfs/dbraw/zinc/33/20/53/1068332053.db2.gz BVFLGIRKPUCOMJ-UHFFFAOYSA-N 0 0 473.555 0.892 20 30 JCEDRN CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O ZINC000016106952 1068332034 /nfs/dbraw/zinc/33/20/34/1068332034.db2.gz CDJVVUYOSZVUSN-UHFFFAOYSA-N 0 0 481.534 0.588 20 30 JCEDRN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(OC)c1OCC(N)=O ZINC000016106957 1068331829 /nfs/dbraw/zinc/33/18/29/1068331829.db2.gz HQXUEIXHQCDJNX-UHFFFAOYSA-N 0 0 488.522 0.586 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 ZINC000016114310 1068332677 /nfs/dbraw/zinc/33/26/77/1068332677.db2.gz YXPZHLUBLJAJTM-CQSZACIVSA-N 0 0 493.563 0.933 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 ZINC000016114311 1068332407 /nfs/dbraw/zinc/33/24/07/1068332407.db2.gz YXPZHLUBLJAJTM-AWEZNQCLSA-N 0 0 493.563 0.933 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1 ZINC000016114312 1068332716 /nfs/dbraw/zinc/33/27/16/1068332716.db2.gz XAENDRVFRQLSHD-UHFFFAOYSA-N 0 0 479.536 0.544 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)cc2C1=O ZINC000016115653 1068331933 /nfs/dbraw/zinc/33/19/33/1068331933.db2.gz YAHMFOQFDAQOAM-UHFFFAOYSA-N 0 0 469.475 0.862 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 ZINC000016123290 1068332570 /nfs/dbraw/zinc/33/25/70/1068332570.db2.gz JFLGVXKVDYYPBE-CQSZACIVSA-N 0 0 493.563 0.933 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 ZINC000016123292 1068332445 /nfs/dbraw/zinc/33/24/45/1068332445.db2.gz JFLGVXKVDYYPBE-AWEZNQCLSA-N 0 0 493.563 0.933 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000016123294 1068332754 /nfs/dbraw/zinc/33/27/54/1068332754.db2.gz LRPMOLVGEIDLOZ-UHFFFAOYSA-N 0 0 479.536 0.544 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000016132943 1068333210 /nfs/dbraw/zinc/33/32/10/1068333210.db2.gz QYNGLALQBMJGMY-GFCCVEGCSA-N 0 0 472.523 0.964 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000016132944 1068333243 /nfs/dbraw/zinc/33/32/43/1068333243.db2.gz QYNGLALQBMJGMY-LBPRGKRZSA-N 0 0 472.523 0.964 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000016132945 1068332931 /nfs/dbraw/zinc/33/29/31/1068332931.db2.gz ACISGWVYRDHJII-UHFFFAOYSA-N 0 0 458.496 0.576 20 30 JCEDRN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000016161737 1068341474 /nfs/dbraw/zinc/34/14/74/1068341474.db2.gz AKCCOMWJNBEOCJ-UHFFFAOYSA-N 0 0 466.498 0.931 20 30 JCEDRN Cn1c2ncn(CCC(=O)OCC(=O)Nc3ccccc3SCC#N)c2c(=O)n(C)c1=O ZINC000016162394 1068341543 /nfs/dbraw/zinc/34/15/43/1068341543.db2.gz QAZUBYDSOAWUCV-UHFFFAOYSA-N 0 0 456.484 0.621 20 30 JCEDRN C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000016163448 1068341406 /nfs/dbraw/zinc/34/14/06/1068341406.db2.gz QDKGGHNKTZDSSJ-LLVKDONJSA-N 0 0 458.862 0.919 20 30 JCEDRN C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000016163449 1068341384 /nfs/dbraw/zinc/34/13/84/1068341384.db2.gz QDKGGHNKTZDSSJ-NSHDSACASA-N 0 0 458.862 0.919 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000016200335 1068345087 /nfs/dbraw/zinc/34/50/87/1068345087.db2.gz TZSGSUZANPYOIN-UHFFFAOYSA-N 0 0 463.537 0.871 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 ZINC000016224303 1068347759 /nfs/dbraw/zinc/34/77/59/1068347759.db2.gz QQPYCJFBKUMTAI-UHFFFAOYSA-N 0 0 489.575 0.947 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000016226228 1068348541 /nfs/dbraw/zinc/34/85/41/1068348541.db2.gz ASYODNISVSZFGY-UHFFFAOYSA-N 0 0 493.563 0.880 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000016227744 1068348488 /nfs/dbraw/zinc/34/84/88/1068348488.db2.gz YJHOJWMSBJINHS-UHFFFAOYSA-N 0 0 461.565 0.886 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000016230784 1068347703 /nfs/dbraw/zinc/34/77/03/1068347703.db2.gz ZBURKDLFKMYXCM-UHFFFAOYSA-N 0 0 492.535 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000016230802 1068347267 /nfs/dbraw/zinc/34/72/67/1068347267.db2.gz NHGLYXKYWGLWIE-UHFFFAOYSA-N 0 0 492.535 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 ZINC000016230882 1068348880 /nfs/dbraw/zinc/34/88/80/1068348880.db2.gz RMWHLLYQDLEKDD-UHFFFAOYSA-N 0 0 477.564 0.753 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000016230925 1068347531 /nfs/dbraw/zinc/34/75/31/1068347531.db2.gz INLAGDVPCCOAOQ-UHFFFAOYSA-N 0 0 465.528 0.884 20 30 JCEDRN Cn1c2ncn(CCC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000016260078 1069878669 /nfs/dbraw/zinc/87/86/69/1069878669.db2.gz NWFWTLVVAJVTLA-KRWDZBQOSA-N 0 0 453.478 0.372 20 30 JCEDRN Cn1c2ncn(CCC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000016260079 1069878964 /nfs/dbraw/zinc/87/89/64/1069878964.db2.gz NWFWTLVVAJVTLA-QGZVFWFLSA-N 0 0 453.478 0.372 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000016260101 1068350496 /nfs/dbraw/zinc/35/04/96/1068350496.db2.gz ZYVDZNVRZZKHHB-UHFFFAOYSA-N 0 0 472.548 0.616 20 30 JCEDRN CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000016260109 1069878791 /nfs/dbraw/zinc/87/87/91/1069878791.db2.gz DIKFKETXHIKFQJ-UHFFFAOYSA-N 0 0 476.580 0.797 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000016260965 1068350398 /nfs/dbraw/zinc/35/03/98/1068350398.db2.gz IBVUOCUBIPPGGD-UHFFFAOYSA-N 0 0 466.541 0.350 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000016261276 1068350558 /nfs/dbraw/zinc/35/05/58/1068350558.db2.gz NXICZRXCJQOTBZ-UHFFFAOYSA-N 0 0 480.524 0.752 20 30 JCEDRN O=C(COC(=O)Cn1nnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000016274761 1068351464 /nfs/dbraw/zinc/35/14/64/1068351464.db2.gz QRDHYANKLALQOM-UHFFFAOYSA-N 0 0 484.494 0.444 20 30 JCEDRN C=C(C)CNC(=S)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O ZINC000016308818 1070748472 /nfs/dbraw/zinc/74/84/72/1070748472.db2.gz VASRYQLKIDKFAB-UHFFFAOYSA-N 0 0 455.544 0.499 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000016537146 1068391668 /nfs/dbraw/zinc/39/16/68/1068391668.db2.gz LDZAEHPGXQPTBA-UHFFFAOYSA-N 0 0 480.499 0.324 20 30 JCEDRN N#CCCNC(=O)COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000016537213 1068391769 /nfs/dbraw/zinc/39/17/69/1068391769.db2.gz PBUSUDGBQJCKJM-UHFFFAOYSA-N 0 0 450.473 0.342 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000016557634 1068394045 /nfs/dbraw/zinc/39/40/45/1068394045.db2.gz YXIUULDPGGINMR-UHFFFAOYSA-N 0 0 451.482 0.041 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000016557636 1068393722 /nfs/dbraw/zinc/39/37/22/1068393722.db2.gz VLYPVWZJJJEOSN-UHFFFAOYSA-N 0 0 451.482 0.041 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000016557853 1068392856 /nfs/dbraw/zinc/39/28/56/1068392856.db2.gz KFAWHWINRQNURF-UHFFFAOYSA-N 0 0 473.463 0.874 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016558268 1068393796 /nfs/dbraw/zinc/39/37/96/1068393796.db2.gz IWSRWETZWNQTPR-QGZVFWFLSA-N 0 0 470.569 0.427 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016558270 1068393757 /nfs/dbraw/zinc/39/37/57/1068393757.db2.gz IWSRWETZWNQTPR-KRWDZBQOSA-N 0 0 470.569 0.427 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000016558363 1068393851 /nfs/dbraw/zinc/39/38/51/1068393851.db2.gz RTVGRFJFKHPGIQ-CYBMUJFWSA-N 0 0 465.509 0.430 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000016558365 1068392691 /nfs/dbraw/zinc/39/26/91/1068392691.db2.gz RTVGRFJFKHPGIQ-ZDUSSCGKSA-N 0 0 465.509 0.430 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 ZINC000016558759 1068393836 /nfs/dbraw/zinc/39/38/36/1068393836.db2.gz UQHSWNXPQSOSBY-UHFFFAOYSA-N 0 0 479.536 0.658 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000016558782 1068394018 /nfs/dbraw/zinc/39/40/18/1068394018.db2.gz FURBSTFRRKDVRL-UHFFFAOYSA-N 0 0 475.548 0.801 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016558792 1068393990 /nfs/dbraw/zinc/39/39/90/1068393990.db2.gz XQWSIHRUVAXUMA-GOSISDBHSA-N 0 0 482.580 0.713 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016558794 1068393973 /nfs/dbraw/zinc/39/39/73/1068393973.db2.gz XQWSIHRUVAXUMA-SFHVURJKSA-N 0 0 482.580 0.713 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnc3n2c2ccccc2c(=O)n3C)c1 ZINC000016558853 518292205 /nfs/dbraw/zinc/29/22/05/518292205.db2.gz VYXHMGKWLUUAOR-UHFFFAOYSA-N 0 0 451.464 0.850 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 ZINC000016558861 1068393913 /nfs/dbraw/zinc/39/39/13/1068393913.db2.gz YYBGXNCMWNLIPQ-UHFFFAOYSA-N 0 0 493.563 0.952 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2SCC(N)=O)c1 ZINC000016558908 1068394032 /nfs/dbraw/zinc/39/40/32/1068394032.db2.gz MSCHCXAWTTYVEK-UHFFFAOYSA-N 0 0 461.521 0.971 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CC)c1 ZINC000016558924 1068393481 /nfs/dbraw/zinc/39/34/81/1068393481.db2.gz CKAOHQBXUNJSCT-UHFFFAOYSA-N 0 0 487.538 0.975 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1 ZINC000016559099 1068393248 /nfs/dbraw/zinc/39/32/48/1068393248.db2.gz LJJRHKDKNHXTEY-UHFFFAOYSA-N 0 0 450.494 0.797 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000016559145 1068392570 /nfs/dbraw/zinc/39/25/70/1068392570.db2.gz VWIXZOCCWYQZTI-UHFFFAOYSA-N 0 0 459.436 0.832 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000016559202 1068392672 /nfs/dbraw/zinc/39/26/72/1068392672.db2.gz DIZFPBXOXLEPKT-CYBMUJFWSA-N 0 0 465.509 0.430 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000016559204 1068393741 /nfs/dbraw/zinc/39/37/41/1068393741.db2.gz DIZFPBXOXLEPKT-ZDUSSCGKSA-N 0 0 465.509 0.430 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000016559273 1068393502 /nfs/dbraw/zinc/39/35/02/1068393502.db2.gz NTSRZNGDARJTFP-OAHLLOKOSA-N 0 0 493.563 0.150 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000016559274 1068392391 /nfs/dbraw/zinc/39/23/91/1068392391.db2.gz NTSRZNGDARJTFP-HNNXBMFYSA-N 0 0 493.563 0.150 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016559385 1068393892 /nfs/dbraw/zinc/39/38/92/1068393892.db2.gz REORIKGDDJOJRJ-GDBMZVCRSA-N 0 0 456.542 0.179 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016559387 1068393697 /nfs/dbraw/zinc/39/36/97/1068393697.db2.gz REORIKGDDJOJRJ-ZBFHGGJFSA-N 0 0 456.542 0.179 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016559389 1068393815 /nfs/dbraw/zinc/39/38/15/1068393815.db2.gz REORIKGDDJOJRJ-GOEBONIOSA-N 0 0 456.542 0.179 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016559392 1068393928 /nfs/dbraw/zinc/39/39/28/1068393928.db2.gz REORIKGDDJOJRJ-HOCLYGCPSA-N 0 0 456.542 0.179 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000016559557 1068393958 /nfs/dbraw/zinc/39/39/58/1068393958.db2.gz UGTAKMACAFGHMK-UHFFFAOYSA-N 0 0 465.509 0.349 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 ZINC000016559565 1069901372 /nfs/dbraw/zinc/90/13/72/1069901372.db2.gz XHDKQFVLIJZARQ-UHFFFAOYSA-N 0 0 476.511 0.287 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 ZINC000016559703 1068393777 /nfs/dbraw/zinc/39/37/77/1068393777.db2.gz MINNYIYGMMRFLL-UHFFFAOYSA-N 0 0 461.471 0.803 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 ZINC000016559736 1068393877 /nfs/dbraw/zinc/39/38/77/1068393877.db2.gz ZEDWKDLMBARVDB-CQSZACIVSA-N 0 0 491.547 0.380 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 ZINC000016559738 1068394005 /nfs/dbraw/zinc/39/40/05/1068394005.db2.gz ZEDWKDLMBARVDB-AWEZNQCLSA-N 0 0 491.547 0.380 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 ZINC000016559757 1068392905 /nfs/dbraw/zinc/39/29/05/1068392905.db2.gz CZMKKIRFIJNXGV-UHFFFAOYSA-N 0 0 484.577 0.791 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)n2c2ccccc2c1=O ZINC000016617782 1069602564 /nfs/dbraw/zinc/60/25/64/1069602564.db2.gz DEWMNCPBAJRPJJ-UHFFFAOYSA-N 0 0 465.495 0.972 20 30 JCEDRN CC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000016635042 1068401581 /nfs/dbraw/zinc/40/15/81/1068401581.db2.gz RAAYDZPBGRFVLS-LJQANCHMSA-N 0 0 482.628 0.536 20 30 JCEDRN CC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000016635043 1068401379 /nfs/dbraw/zinc/40/13/79/1068401379.db2.gz RAAYDZPBGRFVLS-IBGZPJMESA-N 0 0 482.628 0.536 20 30 JCEDRN C=CCNC(=O)NC(=O)CN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 ZINC000016636348 1068401476 /nfs/dbraw/zinc/40/14/76/1068401476.db2.gz CKBRAFRLRPPJFY-UHFFFAOYSA-N 0 0 482.563 0.759 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000016775589 1067785625 /nfs/dbraw/zinc/78/56/25/1067785625.db2.gz MMHJIBPVQXFJAT-UHFFFAOYSA-N 0 0 462.553 0.955 20 30 JCEDRN COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000016775711 1068433969 /nfs/dbraw/zinc/43/39/69/1068433969.db2.gz OJVLUOBCAAWRLY-UHFFFAOYSA-N 0 0 487.494 0.738 20 30 JCEDRN COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC ZINC000016775724 1069497228 /nfs/dbraw/zinc/49/72/28/1069497228.db2.gz FIRHCRSJCLISRE-UHFFFAOYSA-N 0 0 472.523 0.838 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 ZINC000016775743 1067785690 /nfs/dbraw/zinc/78/56/90/1067785690.db2.gz ABWKETZKCJQCFM-UHFFFAOYSA-N 0 0 483.462 0.596 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000016775745 1068433882 /nfs/dbraw/zinc/43/38/82/1068433882.db2.gz MUFSVMUDLOYPIQ-UHFFFAOYSA-N 0 0 456.480 0.550 20 30 JCEDRN COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000016775746 1068433151 /nfs/dbraw/zinc/43/31/51/1068433151.db2.gz IJAAKTAPLOSASI-UHFFFAOYSA-N 0 0 472.523 0.838 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000016775878 1068433906 /nfs/dbraw/zinc/43/39/06/1068433906.db2.gz DGDHWQCTEYCOGQ-UHFFFAOYSA-N 0 0 462.553 0.760 20 30 JCEDRN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O ZINC000016775879 1068433801 /nfs/dbraw/zinc/43/38/01/1068433801.db2.gz JTXULYWOQCYKOE-OPAMFIHVSA-N 0 0 473.555 0.892 20 30 JCEDRN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O ZINC000016775880 1068433243 /nfs/dbraw/zinc/43/32/43/1068433243.db2.gz JTXULYWOQCYKOE-KSFYIVLOSA-N 0 0 473.555 0.892 20 30 JCEDRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O ZINC000016775881 1068433812 /nfs/dbraw/zinc/43/38/12/1068433812.db2.gz JTXULYWOQCYKOE-ZHRRBRCNSA-N 0 0 473.555 0.892 20 30 JCEDRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O ZINC000016775882 1068433820 /nfs/dbraw/zinc/43/38/20/1068433820.db2.gz JTXULYWOQCYKOE-AOMKIAJQSA-N 0 0 473.555 0.892 20 30 JCEDRN CCn1c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2[nH]c(=O)c1=O ZINC000016775957 1069497242 /nfs/dbraw/zinc/49/72/42/1069497242.db2.gz FHPVHPDEEHGBJO-UHFFFAOYSA-N 0 0 467.507 0.728 20 30 JCEDRN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N(C)C ZINC000016775964 1068433975 /nfs/dbraw/zinc/43/39/75/1068433975.db2.gz IKJAZRBINNZHCO-UHFFFAOYSA-N 0 0 492.579 0.964 20 30 JCEDRN CNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1OC ZINC000016775968 1067785563 /nfs/dbraw/zinc/78/55/63/1067785563.db2.gz PJQIGOFUGMLBGW-UHFFFAOYSA-N 0 0 478.552 0.622 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000016776001 1068433827 /nfs/dbraw/zinc/43/38/27/1068433827.db2.gz DHSGBHAJWRUQQR-UHFFFAOYSA-N 0 0 487.563 0.520 20 30 JCEDRN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O ZINC000016776073 1068433963 /nfs/dbraw/zinc/43/39/63/1068433963.db2.gz HARCRFMLNFUKGY-UHFFFAOYSA-N 0 0 452.492 0.996 20 30 JCEDRN Cn1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2c1=O ZINC000016776110 1068433944 /nfs/dbraw/zinc/43/39/44/1068433944.db2.gz PZIWVAVPEYQNLH-UHFFFAOYSA-N 0 0 451.508 0.881 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000016776117 1067785715 /nfs/dbraw/zinc/78/57/15/1067785715.db2.gz HCEYQISBDFZQNG-UHFFFAOYSA-N 0 0 462.553 0.671 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3[nH]c(=O)c4ccccc4c3=O)CC2)cc1 ZINC000016776171 1068433912 /nfs/dbraw/zinc/43/39/12/1068433912.db2.gz OCPVLWTXWHDZSG-UHFFFAOYSA-N 0 0 467.507 0.485 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)cc1 ZINC000016776240 1068433872 /nfs/dbraw/zinc/43/38/72/1068433872.db2.gz JCSSZYYXZZVOLK-UHFFFAOYSA-N 0 0 493.545 0.463 20 30 JCEDRN C=CCNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000016792492 1068434767 /nfs/dbraw/zinc/43/47/67/1068434767.db2.gz STXGKZBNEOAFSY-QGZVFWFLSA-N 0 0 451.545 0.842 20 30 JCEDRN C=CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000016792493 1068434666 /nfs/dbraw/zinc/43/46/66/1068434666.db2.gz STXGKZBNEOAFSY-KRWDZBQOSA-N 0 0 451.545 0.842 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)CC2)cc1 ZINC000016877303 1068438758 /nfs/dbraw/zinc/43/87/58/1068438758.db2.gz PVKWWOPLUJUDKR-FQEVSTJZSA-N 0 0 453.524 0.985 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)CC2)cc1 ZINC000016877304 1068438790 /nfs/dbraw/zinc/43/87/90/1068438790.db2.gz PVKWWOPLUJUDKR-HXUWFJFHSA-N 0 0 453.524 0.985 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)CC2)cc1 ZINC000016877365 1068438852 /nfs/dbraw/zinc/43/88/52/1068438852.db2.gz RLOKQMBGOMFWCS-UHFFFAOYSA-N 0 0 467.507 0.813 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CN3c4cc5c(cc4C(=O)C3=O)OCCO5)CC2)cc1 ZINC000016877403 1068438639 /nfs/dbraw/zinc/43/86/39/1068438639.db2.gz XVJOFKISKXCBRP-UHFFFAOYSA-N 0 0 468.491 0.823 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000017111587 1068470799 /nfs/dbraw/zinc/47/07/99/1068470799.db2.gz NHGQFRSHTLRUHH-UHFFFAOYSA-N 0 0 477.568 0.464 20 30 JCEDRN CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000017114724 1068471449 /nfs/dbraw/zinc/47/14/49/1068471449.db2.gz WYXFUXUDCNEFDP-UHFFFAOYSA-N 0 0 491.595 0.824 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(CC#N)cc2)c1 ZINC000017183190 1068481183 /nfs/dbraw/zinc/48/11/83/1068481183.db2.gz XJPNCCXOAOPWHC-UHFFFAOYSA-N 0 0 458.496 0.915 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000017222805 1068482625 /nfs/dbraw/zinc/48/26/25/1068482625.db2.gz MCCVMSBRLDTFLU-UHFFFAOYSA-N 0 0 460.512 0.346 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000017223080 1068482603 /nfs/dbraw/zinc/48/26/03/1068482603.db2.gz YQSTWFSDRDZCTK-UHFFFAOYSA-N 0 0 457.487 0.321 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000017223088 1068482696 /nfs/dbraw/zinc/48/26/96/1068482696.db2.gz GVJLHZUXXBYXIY-UHFFFAOYSA-N 0 0 491.504 0.713 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017223539 1068483466 /nfs/dbraw/zinc/48/34/66/1068483466.db2.gz ZTJPVAMGGBECBH-UHFFFAOYSA-N 0 0 486.550 0.872 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000017223962 1068483431 /nfs/dbraw/zinc/48/34/31/1068483431.db2.gz JTHYEKBHDGOBAJ-UHFFFAOYSA-N 0 0 457.487 0.871 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000017358076 1069246196 /nfs/dbraw/zinc/24/61/96/1069246196.db2.gz OZNXZLXZRVIBJD-UHFFFAOYSA-N 0 0 455.540 0.297 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NN=C3c4cc5c(cc4NC3=O)OCCCO5)nc2)CC1 ZINC000017419131 1069249710 /nfs/dbraw/zinc/24/97/10/1069249710.db2.gz XMOMRWHSNDKLIC-UHFFFAOYSA-N 0 0 472.527 0.947 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000017454958 1069256675 /nfs/dbraw/zinc/25/66/75/1069256675.db2.gz CVWJOMAEYJRJKS-UHFFFAOYSA-N 0 0 467.617 0.324 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 ZINC000017591907 1069272625 /nfs/dbraw/zinc/27/26/25/1069272625.db2.gz AQAIQELFAZTABQ-UHFFFAOYSA-N 0 0 491.591 0.690 20 30 JCEDRN C=CCn1c(SCc2nc(N)nc(N)n2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000017719722 1069664553 /nfs/dbraw/zinc/66/45/53/1069664553.db2.gz SSYOQRVZSQILOR-UHFFFAOYSA-N 0 0 489.587 0.794 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000017843691 1069457537 /nfs/dbraw/zinc/45/75/37/1069457537.db2.gz ANJOTRJRTWOQFV-UHFFFAOYSA-N 0 0 469.567 0.883 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000017843843 1069457579 /nfs/dbraw/zinc/45/75/79/1069457579.db2.gz SCURZNQTMJUGBQ-UHFFFAOYSA-N 0 0 457.556 0.876 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000018038920 1069321151 /nfs/dbraw/zinc/32/11/51/1069321151.db2.gz VAFVHLIIXMBJEA-UHFFFAOYSA-N 0 0 462.553 0.760 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000018038935 1069321167 /nfs/dbraw/zinc/32/11/67/1069321167.db2.gz QTFSHOBJPBSWQO-UHFFFAOYSA-N 0 0 468.582 0.821 20 30 JCEDRN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O ZINC000018038936 1069320963 /nfs/dbraw/zinc/32/09/63/1069320963.db2.gz JCLSKYRPOCFZNT-OPAMFIHVSA-N 0 0 473.555 0.892 20 30 JCEDRN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O ZINC000018038937 1069320992 /nfs/dbraw/zinc/32/09/92/1069320992.db2.gz JCLSKYRPOCFZNT-KSFYIVLOSA-N 0 0 473.555 0.892 20 30 JCEDRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O ZINC000018038938 1069320884 /nfs/dbraw/zinc/32/08/84/1069320884.db2.gz JCLSKYRPOCFZNT-ZHRRBRCNSA-N 0 0 473.555 0.892 20 30 JCEDRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O ZINC000018038939 1069321050 /nfs/dbraw/zinc/32/10/50/1069321050.db2.gz JCLSKYRPOCFZNT-AOMKIAJQSA-N 0 0 473.555 0.892 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000018038967 1069321183 /nfs/dbraw/zinc/32/11/83/1069321183.db2.gz AZIRXJMDYOTGHC-UHFFFAOYSA-N 0 0 459.528 0.646 20 30 JCEDRN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O ZINC000018038968 1069320947 /nfs/dbraw/zinc/32/09/47/1069320947.db2.gz YCNJXTHFIFTZGA-UHFFFAOYSA-N 0 0 473.555 0.892 20 30 JCEDRN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1S(=O)(=O)N(C)C ZINC000018038993 1069321027 /nfs/dbraw/zinc/32/10/27/1069321027.db2.gz JUBIAECNVFOGJH-UHFFFAOYSA-N 0 0 492.579 0.964 20 30 JCEDRN CCn1c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2[nH]c(=O)c1=O ZINC000018039009 1069321554 /nfs/dbraw/zinc/32/15/54/1069321554.db2.gz SJNKWHSZXBGCRX-UHFFFAOYSA-N 0 0 467.507 0.728 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000018039042 1069321363 /nfs/dbraw/zinc/32/13/63/1069321363.db2.gz NTMFWSQVKOAZCC-UHFFFAOYSA-N 0 0 480.543 0.899 20 30 JCEDRN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000018039132 1069321587 /nfs/dbraw/zinc/32/15/87/1069321587.db2.gz CSPPTXPVXARSTC-UHFFFAOYSA-N 0 0 476.580 0.932 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000018039166 1069321543 /nfs/dbraw/zinc/32/15/43/1069321543.db2.gz GZKHXGTUNAYBRF-UHFFFAOYSA-N 0 0 467.507 0.757 20 30 JCEDRN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000018039192 1069321569 /nfs/dbraw/zinc/32/15/69/1069321569.db2.gz YAWUXDKLVFFSTO-UHFFFAOYSA-N 0 0 468.543 0.661 20 30 JCEDRN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000018039197 1069321382 /nfs/dbraw/zinc/32/13/82/1069321382.db2.gz FZDHCMIPRAHRLB-UHFFFAOYSA-N 0 0 454.516 0.271 20 30 JCEDRN CCS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000018039215 1069469982 /nfs/dbraw/zinc/46/99/82/1069469982.db2.gz VEIJRXHMMWRMKV-UHFFFAOYSA-N 0 0 454.574 0.453 20 30 JCEDRN CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 ZINC000018039289 1069321657 /nfs/dbraw/zinc/32/16/57/1069321657.db2.gz PXZAQYXIPZVXMX-UHFFFAOYSA-N 0 0 482.609 0.858 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 ZINC000018039291 1069321641 /nfs/dbraw/zinc/32/16/41/1069321641.db2.gz DJMFBCOLXLPIQI-UHFFFAOYSA-N 0 0 467.507 0.485 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000018039299 1069469992 /nfs/dbraw/zinc/46/99/92/1069469992.db2.gz VDDHUVGDUSZPGR-HNNXBMFYSA-N 0 0 480.543 0.897 20 30 JCEDRN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000018039303 1069321496 /nfs/dbraw/zinc/32/14/96/1069321496.db2.gz OKBHBHFOQLJYMD-UHFFFAOYSA-N 0 0 464.525 0.361 20 30 JCEDRN CNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1OC ZINC000018039306 1069321581 /nfs/dbraw/zinc/32/15/81/1069321581.db2.gz ZCQHHRBBLCWKQB-UHFFFAOYSA-N 0 0 478.552 0.622 20 30 JCEDRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000018039314 1069469876 /nfs/dbraw/zinc/46/98/76/1069469876.db2.gz KFPQLSCGCLMJEC-INIZCTEOSA-N 0 0 492.579 0.767 20 30 JCEDRN CN(CCCc1[nH]nc(N)c1C#N)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000018052612 1069471980 /nfs/dbraw/zinc/47/19/80/1069471980.db2.gz ZZEDBNJCYABEML-UHFFFAOYSA-N 0 0 462.536 0.777 20 30 JCEDRN N#Cc1ccccc1OCC(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000018253059 1069402795 /nfs/dbraw/zinc/40/27/95/1069402795.db2.gz GVULPHKOLDXELY-UHFFFAOYSA-N 0 0 473.507 0.818 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(S(C)(=O)=O)CC3)n2c2ccccc2c1=O ZINC000018260928 1069402621 /nfs/dbraw/zinc/40/26/21/1069402621.db2.gz BTFDQXHUBPVAPQ-UHFFFAOYSA-N 0 0 462.557 0.426 20 30 JCEDRN N#Cc1ccc(OCC(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000018280592 1069402800 /nfs/dbraw/zinc/40/28/00/1069402800.db2.gz FSLJFXDTWPUZSU-UHFFFAOYSA-N 0 0 473.507 0.818 20 30 JCEDRN CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000018360765 1069402688 /nfs/dbraw/zinc/40/26/88/1069402688.db2.gz YWDLSEJJKUBYAL-HNNXBMFYSA-N 0 0 472.545 0.063 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000018447023 1069404357 /nfs/dbraw/zinc/40/43/57/1069404357.db2.gz ODXMMWDBMOWXPE-CYBMUJFWSA-N 0 0 467.525 0.982 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000018447026 1069404545 /nfs/dbraw/zinc/40/45/45/1069404545.db2.gz ODXMMWDBMOWXPE-ZDUSSCGKSA-N 0 0 467.525 0.982 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000018447230 1069404319 /nfs/dbraw/zinc/40/43/19/1069404319.db2.gz VYDGCNNPMZPOHZ-GDBMZVCRSA-N 0 0 458.558 0.732 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000018447233 1069404344 /nfs/dbraw/zinc/40/43/44/1069404344.db2.gz VYDGCNNPMZPOHZ-ZBFHGGJFSA-N 0 0 458.558 0.732 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000018447236 1069404453 /nfs/dbraw/zinc/40/44/53/1069404453.db2.gz VYDGCNNPMZPOHZ-GOEBONIOSA-N 0 0 458.558 0.732 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000018447239 1069404489 /nfs/dbraw/zinc/40/44/89/1069404489.db2.gz VYDGCNNPMZPOHZ-HOCLYGCPSA-N 0 0 458.558 0.732 20 30 JCEDRN C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000018470658 1069403953 /nfs/dbraw/zinc/40/39/53/1069403953.db2.gz VUVZXDMZWIGJHF-UHFFFAOYSA-N 0 0 455.920 0.537 20 30 JCEDRN C#CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(OC)OC ZINC000018484332 1069407156 /nfs/dbraw/zinc/40/71/56/1069407156.db2.gz NISPPHKXUMSEPX-UHFFFAOYSA-N 0 0 467.573 0.656 20 30 JCEDRN C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000018522012 1069409923 /nfs/dbraw/zinc/40/99/23/1069409923.db2.gz XDTGQPKMAGSWKN-MRXNPFEDSA-N 0 0 467.544 0.392 20 30 JCEDRN C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000018522013 1069409638 /nfs/dbraw/zinc/40/96/38/1069409638.db2.gz XDTGQPKMAGSWKN-INIZCTEOSA-N 0 0 467.544 0.392 20 30 JCEDRN C#CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000018530083 1069409908 /nfs/dbraw/zinc/40/99/08/1069409908.db2.gz HULMXNDWXGJOBW-UHFFFAOYSA-N 0 0 455.920 0.246 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000018587927 1069416091 /nfs/dbraw/zinc/41/60/91/1069416091.db2.gz QFVDHLHORHUILX-OAHLLOKOSA-N 0 0 474.539 0.734 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000018587929 1069416166 /nfs/dbraw/zinc/41/61/66/1069416166.db2.gz QFVDHLHORHUILX-HNNXBMFYSA-N 0 0 474.539 0.734 20 30 JCEDRN CC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000018662049 1069421147 /nfs/dbraw/zinc/42/11/47/1069421147.db2.gz BFUUUHBXDZRRMW-UHFFFAOYSA-N 0 0 462.528 0.193 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000018662061 1069421268 /nfs/dbraw/zinc/42/12/68/1069421268.db2.gz XFPBBRYQYRYAPW-UHFFFAOYSA-N 0 0 492.554 0.803 20 30 JCEDRN COC(=O)C1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000018662107 1069421254 /nfs/dbraw/zinc/42/12/54/1069421254.db2.gz PVACXKQFOYORGN-UHFFFAOYSA-N 0 0 477.539 0.914 20 30 JCEDRN CC(C)CNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000018662226 1069421280 /nfs/dbraw/zinc/42/12/80/1069421280.db2.gz NFFTWINWDLSZKT-UHFFFAOYSA-N 0 0 450.517 0.984 20 30 JCEDRN CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000018662325 1069421774 /nfs/dbraw/zinc/42/17/74/1069421774.db2.gz KZGLDGJKBVEALN-GOSISDBHSA-N 0 0 497.595 0.538 20 30 JCEDRN CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000018662326 1069421760 /nfs/dbraw/zinc/42/17/60/1069421760.db2.gz KZGLDGJKBVEALN-SFHVURJKSA-N 0 0 497.595 0.538 20 30 JCEDRN CCCNC(=O)CN(C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000018662551 1069421913 /nfs/dbraw/zinc/42/19/13/1069421913.db2.gz SJFGDSFCICMHEA-UHFFFAOYSA-N 0 0 464.544 0.487 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 ZINC000018662613 1069421997 /nfs/dbraw/zinc/42/19/97/1069421997.db2.gz WHLCPJXLNLFXKW-UHFFFAOYSA-N 0 0 476.433 0.890 20 30 JCEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000018662637 1069421793 /nfs/dbraw/zinc/42/17/93/1069421793.db2.gz VSPLJASZJZYUBY-RHSMWYFYSA-N 0 0 483.568 0.194 20 30 JCEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000018662638 1069421822 /nfs/dbraw/zinc/42/18/22/1069421822.db2.gz VSPLJASZJZYUBY-WMLDXEAASA-N 0 0 483.568 0.194 20 30 JCEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000018662639 1069421780 /nfs/dbraw/zinc/42/17/80/1069421780.db2.gz VSPLJASZJZYUBY-PBHICJAKSA-N 0 0 483.568 0.194 20 30 JCEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000018662640 1069421922 /nfs/dbraw/zinc/42/19/22/1069421922.db2.gz VSPLJASZJZYUBY-YOEHRIQHSA-N 0 0 483.568 0.194 20 30 JCEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000018662710 1069421788 /nfs/dbraw/zinc/42/17/88/1069421788.db2.gz KDAKJBZKEXSFHA-CRAIPNDOSA-N 0 0 497.595 0.536 20 30 JCEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000018662711 1069421799 /nfs/dbraw/zinc/42/17/99/1069421799.db2.gz KDAKJBZKEXSFHA-MAUKXSAKSA-N 0 0 497.595 0.536 20 30 JCEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000018662712 1069421936 /nfs/dbraw/zinc/42/19/36/1069421936.db2.gz KDAKJBZKEXSFHA-QAPCUYQASA-N 0 0 497.595 0.536 20 30 JCEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000018662713 1069421946 /nfs/dbraw/zinc/42/19/46/1069421946.db2.gz KDAKJBZKEXSFHA-YJBOKZPZSA-N 0 0 497.595 0.536 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000018760278 1069432582 /nfs/dbraw/zinc/43/25/82/1069432582.db2.gz UIKLOWUADGAMFY-HSZRJFAPSA-N 0 0 498.517 0.981 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000018760280 1069432615 /nfs/dbraw/zinc/43/26/15/1069432615.db2.gz UIKLOWUADGAMFY-QHCPKHFHSA-N 0 0 498.517 0.981 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000018760282 1069432740 /nfs/dbraw/zinc/43/27/40/1069432740.db2.gz FSSOIVFCHCDFOY-HSZRJFAPSA-N 0 0 498.517 0.981 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000018760284 1069432722 /nfs/dbraw/zinc/43/27/22/1069432722.db2.gz FSSOIVFCHCDFOY-QHCPKHFHSA-N 0 0 498.517 0.981 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCN(C(=O)OCC)CC1 ZINC000018760395 1069432712 /nfs/dbraw/zinc/43/27/12/1069432712.db2.gz MUQKKFDYKZVFHY-XMMPIXPASA-N 0 0 484.509 0.995 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCN(C(=O)OCC)CC1 ZINC000018760397 1069432656 /nfs/dbraw/zinc/43/26/56/1069432656.db2.gz MUQKKFDYKZVFHY-DEOSSOPVSA-N 0 0 484.509 0.995 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000018760845 1069432646 /nfs/dbraw/zinc/43/26/46/1069432646.db2.gz OQVGMBSXPCOYQE-WAIKUNEKSA-N 0 0 489.550 0.730 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000018760848 1069432728 /nfs/dbraw/zinc/43/27/28/1069432728.db2.gz OQVGMBSXPCOYQE-QMHKHESXSA-N 0 0 489.550 0.730 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000018760850 1069432718 /nfs/dbraw/zinc/43/27/18/1069432718.db2.gz OQVGMBSXPCOYQE-MWTRTKDXSA-N 0 0 489.550 0.730 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000018760853 1069432608 /nfs/dbraw/zinc/43/26/08/1069432608.db2.gz OQVGMBSXPCOYQE-HJPURHCSSA-N 0 0 489.550 0.730 20 30 JCEDRN Cc1cc(C)n(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCN4)c3)n2N)n1 ZINC000018805871 1070237433 /nfs/dbraw/zinc/23/74/33/1070237433.db2.gz GYMIVFYCFWBVFZ-UHFFFAOYSA-N 0 0 489.587 0.996 20 30 JCEDRN NC(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)cc1 ZINC000018821709 1069440995 /nfs/dbraw/zinc/44/09/95/1069440995.db2.gz UNGNBDDURGHUOP-UHFFFAOYSA-N 0 0 474.495 0.817 20 30 JCEDRN C#CCNC(=O)COC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O ZINC000019044494 1069450139 /nfs/dbraw/zinc/45/01/39/1069450139.db2.gz HSWGYZWSLFWOPW-UHFFFAOYSA-N 0 0 485.500 0.749 20 30 JCEDRN C#CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC ZINC000019048891 1069450349 /nfs/dbraw/zinc/45/03/49/1069450349.db2.gz YUJXFXOLOOQRER-UHFFFAOYSA-N 0 0 476.555 0.692 20 30 JCEDRN C#CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000019058816 1069449758 /nfs/dbraw/zinc/44/97/58/1069449758.db2.gz ADTUDYLFUSROQJ-UHFFFAOYSA-N 0 0 499.954 0.372 20 30 JCEDRN C#CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC ZINC000019142604 1069470911 /nfs/dbraw/zinc/47/09/11/1069470911.db2.gz SBTOKIGTBLPWGW-UHFFFAOYSA-N 0 0 462.528 0.302 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc(C#N)c1 ZINC000019165550 1069475871 /nfs/dbraw/zinc/47/58/71/1069475871.db2.gz ZPEICJRWDVPEJO-GOSISDBHSA-N 0 0 479.536 0.822 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc(C#N)c1 ZINC000019165552 1069475860 /nfs/dbraw/zinc/47/58/60/1069475860.db2.gz ZPEICJRWDVPEJO-SFHVURJKSA-N 0 0 479.536 0.822 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C#N)cc1 ZINC000019165606 1069475878 /nfs/dbraw/zinc/47/58/78/1069475878.db2.gz IWPROTZPJDDXOR-GOSISDBHSA-N 0 0 479.536 0.822 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C#N)cc1 ZINC000019165608 1069475704 /nfs/dbraw/zinc/47/57/04/1069475704.db2.gz IWPROTZPJDDXOR-SFHVURJKSA-N 0 0 479.536 0.822 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 ZINC000019166054 1069475759 /nfs/dbraw/zinc/47/57/59/1069475759.db2.gz IQLYQKNLGXJZQI-QGZVFWFLSA-N 0 0 485.584 0.654 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 ZINC000019166056 1069475722 /nfs/dbraw/zinc/47/57/22/1069475722.db2.gz IQLYQKNLGXJZQI-KRWDZBQOSA-N 0 0 485.584 0.654 20 30 JCEDRN C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br ZINC000019188759 1069481215 /nfs/dbraw/zinc/48/12/15/1069481215.db2.gz RUKOTGAILSHWHW-LBPRGKRZSA-N 0 0 459.318 0.813 20 30 JCEDRN C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br ZINC000019188762 1069481173 /nfs/dbraw/zinc/48/11/73/1069481173.db2.gz RUKOTGAILSHWHW-GFCCVEGCSA-N 0 0 459.318 0.813 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000019298521 1070250180 /nfs/dbraw/zinc/25/01/80/1070250180.db2.gz MUITUEZKIXFHHX-GOSISDBHSA-N 0 0 497.595 0.994 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000019298522 1070250166 /nfs/dbraw/zinc/25/01/66/1070250166.db2.gz MUITUEZKIXFHHX-SFHVURJKSA-N 0 0 497.595 0.994 20 30 JCEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000019314418 1070250210 /nfs/dbraw/zinc/25/02/10/1070250210.db2.gz CDOHKOPEPVQZNY-QHCPKHFHSA-N 0 0 499.524 0.997 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)Nc2ccccc2Br)c1=O ZINC000019318044 1067973529 /nfs/dbraw/zinc/97/35/29/1067973529.db2.gz RFALTVVTYWZNHD-UHFFFAOYSA-N 0 0 478.303 0.061 20 30 JCEDRN C#CCNC(=O)COC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000019351929 1069506458 /nfs/dbraw/zinc/50/64/58/1069506458.db2.gz UZLGWPAQUXOOFW-UHFFFAOYSA-N 0 0 494.526 0.125 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000019353031 1069507456 /nfs/dbraw/zinc/50/74/56/1069507456.db2.gz HBCIXUBUOWLPKY-UHFFFAOYSA-N 0 0 453.498 0.762 20 30 JCEDRN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(=O)c(C#N)c1C ZINC000019355021 1067973514 /nfs/dbraw/zinc/97/35/14/1067973514.db2.gz URUGFMRJIOBBCW-UHFFFAOYSA-N 0 0 455.949 0.980 20 30 JCEDRN CNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)cc1 ZINC000019396068 1069530185 /nfs/dbraw/zinc/53/01/85/1069530185.db2.gz FYFOWCGNKKMUMW-UHFFFAOYSA-N 0 0 494.551 0.861 20 30 JCEDRN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000019420148 1069533117 /nfs/dbraw/zinc/53/31/17/1069533117.db2.gz LQQNYYMVMKKPQJ-XZOQPEGZSA-N 0 0 454.483 0.964 20 30 JCEDRN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000019420149 1069533167 /nfs/dbraw/zinc/53/31/67/1069533167.db2.gz LQQNYYMVMKKPQJ-GOTSBHOMSA-N 0 0 454.483 0.964 20 30 JCEDRN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000019420150 1069533275 /nfs/dbraw/zinc/53/32/75/1069533275.db2.gz LQQNYYMVMKKPQJ-DHIUTWEWSA-N 0 0 454.483 0.964 20 30 JCEDRN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000019420151 1069533074 /nfs/dbraw/zinc/53/30/74/1069533074.db2.gz LQQNYYMVMKKPQJ-PKTZIBPZSA-N 0 0 454.483 0.964 20 30 JCEDRN CCCCn1c(N)c(N(CCOC)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(=O)[nH]c1=O ZINC000019682464 1069560318 /nfs/dbraw/zinc/56/03/18/1069560318.db2.gz LGZRLGQHUOSPLX-UHFFFAOYSA-N 0 0 458.519 0.708 20 30 JCEDRN COCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000020005844 1069604167 /nfs/dbraw/zinc/60/41/67/1069604167.db2.gz OXVZZNJMXKMNJW-UHFFFAOYSA-N 0 0 492.536 0.956 20 30 JCEDRN COCCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000020008696 1069604491 /nfs/dbraw/zinc/60/44/91/1069604491.db2.gz IHEDOXRNAZCOJE-UHFFFAOYSA-N 0 0 472.546 0.954 20 30 JCEDRN C[C@@H](On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)Nc1cccc(C#N)c1 ZINC000020917892 1069537838 /nfs/dbraw/zinc/53/78/38/1069537838.db2.gz ZSYPPXOIPVYXBV-CQSZACIVSA-N 0 0 456.484 0.780 20 30 JCEDRN C[C@H](On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)Nc1cccc(C#N)c1 ZINC000020917899 1069537907 /nfs/dbraw/zinc/53/79/07/1069537907.db2.gz ZSYPPXOIPVYXBV-AWEZNQCLSA-N 0 0 456.484 0.780 20 30 JCEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000021033431 1069744514 /nfs/dbraw/zinc/74/45/14/1069744514.db2.gz PZSDOKWIJMJOTH-UHFFFAOYSA-N 0 0 457.578 0.223 20 30 JCEDRN C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1[C@@H]1COc2ccccc2O1 ZINC000021089448 1069429981 /nfs/dbraw/zinc/42/99/81/1069429981.db2.gz QFARGNVKBCHOAF-HNNXBMFYSA-N 0 0 470.511 0.931 20 30 JCEDRN C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1[C@H]1COc2ccccc2O1 ZINC000021089453 1069758234 /nfs/dbraw/zinc/75/82/34/1069758234.db2.gz QFARGNVKBCHOAF-OAHLLOKOSA-N 0 0 470.511 0.931 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000021129374 1069765017 /nfs/dbraw/zinc/76/50/17/1069765017.db2.gz XRXKTXZBKPILIP-UHFFFAOYSA-N 0 0 455.562 0.971 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000021133361 1069766654 /nfs/dbraw/zinc/76/66/54/1069766654.db2.gz JSGPWRMYVNRBGA-UHFFFAOYSA-N 0 0 454.516 0.518 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000021134173 1069766633 /nfs/dbraw/zinc/76/66/33/1069766633.db2.gz FGYXHEJOXWFHAA-UHFFFAOYSA-N 0 0 469.567 0.953 20 30 JCEDRN C=CCn1c(SCC(=O)NC(=O)NC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000021226362 1068082681 /nfs/dbraw/zinc/08/26/81/1068082681.db2.gz VJDJSBBJWCOSOT-UHFFFAOYSA-N 0 0 480.572 0.700 20 30 JCEDRN C=CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000021229398 1068082783 /nfs/dbraw/zinc/08/27/83/1068082783.db2.gz MSRQNUSYXPYLBU-CYBMUJFWSA-N 0 0 480.572 0.828 20 30 JCEDRN C=CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000021229403 1068082666 /nfs/dbraw/zinc/08/26/66/1068082666.db2.gz MSRQNUSYXPYLBU-ZDUSSCGKSA-N 0 0 480.572 0.828 20 30 JCEDRN C=CCn1c(SCC(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000021232062 1068082759 /nfs/dbraw/zinc/08/27/59/1068082759.db2.gz LRTSEMQQMBVLRB-UHFFFAOYSA-N 0 0 466.545 0.439 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ncccn3)CC2)CC1 ZINC000021578967 1069808435 /nfs/dbraw/zinc/80/84/35/1069808435.db2.gz KTHRDEVLCNSXOF-UHFFFAOYSA-N 0 0 455.544 0.003 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000021580320 1069807907 /nfs/dbraw/zinc/80/79/07/1069807907.db2.gz ZMHCXSOIQRCOJC-UHFFFAOYSA-N 0 0 480.550 0.760 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)CC1 ZINC000021628092 1069815173 /nfs/dbraw/zinc/81/51/73/1069815173.db2.gz CVNJWXYYEHCETM-QHCPKHFHSA-N 0 0 473.497 0.351 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)CC1 ZINC000021628097 1069815656 /nfs/dbraw/zinc/81/56/56/1069815656.db2.gz CVNJWXYYEHCETM-HSZRJFAPSA-N 0 0 473.497 0.351 20 30 JCEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000021710247 1069821943 /nfs/dbraw/zinc/82/19/43/1069821943.db2.gz SWCOFBSBHFPEGC-IEBWSBKVSA-N 0 0 461.519 0.700 20 30 JCEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000021710249 1069822094 /nfs/dbraw/zinc/82/20/94/1069822094.db2.gz SWCOFBSBHFPEGC-MJGOQNOKSA-N 0 0 461.519 0.700 20 30 JCEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000021710252 1069821579 /nfs/dbraw/zinc/82/15/79/1069821579.db2.gz SWCOFBSBHFPEGC-PKOBYXMFSA-N 0 0 461.519 0.700 20 30 JCEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000021710254 1069821489 /nfs/dbraw/zinc/82/14/89/1069821489.db2.gz SWCOFBSBHFPEGC-HKUYNNGSSA-N 0 0 461.519 0.700 20 30 JCEDRN Cn1ncc2c1ncnc2SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000021754888 1069825982 /nfs/dbraw/zinc/82/59/82/1069825982.db2.gz LYXFHZGBMWKQMB-UHFFFAOYSA-N 0 0 457.541 0.860 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)CC1 ZINC000021842953 1069844722 /nfs/dbraw/zinc/84/47/22/1069844722.db2.gz MUJSOOQSRSABGQ-UHFFFAOYSA-N 0 0 470.618 0.252 20 30 JCEDRN CCN(CC)C(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000021965481 1069542014 /nfs/dbraw/zinc/54/20/14/1069542014.db2.gz RJRZVTOCZBAECC-UHFFFAOYSA-N 0 0 475.615 0.972 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)CC1 ZINC000022013780 1069871225 /nfs/dbraw/zinc/87/12/25/1069871225.db2.gz LZEMYSKEGMURKU-UHFFFAOYSA-N 0 0 470.618 0.306 20 30 JCEDRN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(=O)c(C#N)c1C ZINC000022068892 1067763266 /nfs/dbraw/zinc/76/32/66/1067763266.db2.gz QNERWACSJDFRBK-UHFFFAOYSA-N 0 0 473.511 0.036 20 30 JCEDRN N#CCN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccccc1 ZINC000022177549 1067741209 /nfs/dbraw/zinc/74/12/09/1067741209.db2.gz LTYUPJMGDDGDLQ-UHFFFAOYSA-N 0 0 458.496 0.884 20 30 JCEDRN Cc1cc(CN2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)on1 ZINC000022254394 1069875929 /nfs/dbraw/zinc/87/59/29/1069875929.db2.gz GFCJAWSYQSHHHK-UHFFFAOYSA-N 0 0 472.571 0.505 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1=O ZINC000022282742 1069487774 /nfs/dbraw/zinc/48/77/74/1069487774.db2.gz XZYNQJZSTFVYLE-HNNXBMFYSA-N 0 0 479.415 0.850 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1=O ZINC000022282744 1069488472 /nfs/dbraw/zinc/48/84/72/1069488472.db2.gz XZYNQJZSTFVYLE-OAHLLOKOSA-N 0 0 479.415 0.850 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1=O ZINC000022284754 1070281846 /nfs/dbraw/zinc/28/18/46/1070281846.db2.gz SHNDXDJYKLFPIM-MDWZMJQESA-N 0 0 457.512 0.046 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1=O ZINC000022284758 1069543516 /nfs/dbraw/zinc/54/35/16/1069543516.db2.gz MCIJFSHIRZMDDK-UHFFFAOYSA-N 0 0 471.539 0.665 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)NC2(C#N)CCCCC2)c(=O)c1=O ZINC000022341224 1069876389 /nfs/dbraw/zinc/87/63/89/1069876389.db2.gz TYRPEIYPEPSFPC-UHFFFAOYSA-N 0 0 461.544 0.776 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)Nc2cccc(C#N)c2)c(=O)c1=O ZINC000022341582 1069876787 /nfs/dbraw/zinc/87/67/87/1069876787.db2.gz PUGBDXUYHWKMCO-UHFFFAOYSA-N 0 0 455.496 0.944 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)Nc2ccc(C#N)cc2)c(=O)c1=O ZINC000022341869 1069876581 /nfs/dbraw/zinc/87/65/81/1069876581.db2.gz NHWIBUOEVIHNRB-UHFFFAOYSA-N 0 0 455.496 0.944 20 30 JCEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000022393423 1069877459 /nfs/dbraw/zinc/87/74/59/1069877459.db2.gz MLGYFDDSSNSMAX-OAHLLOKOSA-N 0 0 450.268 0.847 20 30 JCEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000022393427 1069877278 /nfs/dbraw/zinc/87/72/78/1069877278.db2.gz MLGYFDDSSNSMAX-HNNXBMFYSA-N 0 0 450.268 0.847 20 30 JCEDRN NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)c1 ZINC000022410137 1069545168 /nfs/dbraw/zinc/54/51/68/1069545168.db2.gz KNFZCMNGLBDPAV-UHFFFAOYSA-N 0 0 458.543 0.605 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 ZINC000022550435 1069881105 /nfs/dbraw/zinc/88/11/05/1069881105.db2.gz LFFQUFXEGANJHF-UHFFFAOYSA-N 0 0 460.579 0.428 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000022600660 1069881987 /nfs/dbraw/zinc/88/19/87/1069881987.db2.gz ZTZMHEUPNMGGQR-UHFFFAOYSA-N 0 0 454.552 0.672 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000022742096 1069883280 /nfs/dbraw/zinc/88/32/80/1069883280.db2.gz CYMWRLOLAOZNKW-UHFFFAOYSA-N 0 0 459.572 0.294 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000022811815 1069883937 /nfs/dbraw/zinc/88/39/37/1069883937.db2.gz CCTGIFBZMIURPI-UHFFFAOYSA-N 0 0 486.598 0.814 20 30 JCEDRN Cn1c2ncn(CC(=O)OCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000022815327 1069884227 /nfs/dbraw/zinc/88/42/27/1069884227.db2.gz YGEINQMCEOQLGK-UHFFFAOYSA-N 0 0 477.399 0.164 20 30 JCEDRN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000022966869 1067728255 /nfs/dbraw/zinc/72/82/55/1067728255.db2.gz YKIVLKNNMLMXSO-UHFFFAOYSA-N 0 0 491.595 0.754 20 30 JCEDRN Cn1nc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2c1=O ZINC000022975148 1069884252 /nfs/dbraw/zinc/88/42/52/1069884252.db2.gz CFPWTINHFWRLEZ-UHFFFAOYSA-N 0 0 451.508 0.881 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000022975178 1069884272 /nfs/dbraw/zinc/88/42/72/1069884272.db2.gz AYZPSUKBHVYZOM-UHFFFAOYSA-N 0 0 467.507 0.897 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(CC(F)(F)F)CC2)CC1 ZINC000023053698 1067771911 /nfs/dbraw/zinc/77/19/11/1067771911.db2.gz LQFNTCYQDLTHBK-UHFFFAOYSA-N 0 0 459.494 0.571 20 30 JCEDRN COC(=O)C(C(=O)Cn1c(Br)nc2c1n(C)c(=O)n(C)c2=O)=C1Nc2ccccc2N1 ZINC000023058054 1067772311 /nfs/dbraw/zinc/77/23/11/1067772311.db2.gz HZAMZKGQWXPBMJ-UHFFFAOYSA-N 0 0 489.286 0.688 20 30 JCEDRN CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000023133899 1069885954 /nfs/dbraw/zinc/88/59/54/1069885954.db2.gz GNKUGERTXLJYCN-UHFFFAOYSA-N 0 0 498.608 0.578 20 30 JCEDRN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O ZINC000023139382 1067774717 /nfs/dbraw/zinc/77/47/17/1067774717.db2.gz SCCOIDDXSWFGRF-UHFFFAOYSA-N 0 0 452.492 0.996 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 ZINC000023160058 1069885534 /nfs/dbraw/zinc/88/55/34/1069885534.db2.gz ZHOCFMWNKFMKMX-XMMPIXPASA-N 0 0 493.545 0.785 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 ZINC000023160060 1069885737 /nfs/dbraw/zinc/88/57/37/1069885737.db2.gz ZHOCFMWNKFMKMX-DEOSSOPVSA-N 0 0 493.545 0.785 20 30 JCEDRN CC(C)Cn1c(N)c(C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O ZINC000023186635 1069885857 /nfs/dbraw/zinc/88/58/57/1069885857.db2.gz OGVRNUSNTLYTAK-UHFFFAOYSA-N 0 0 481.513 0.910 20 30 JCEDRN N#Cc1ccc(CN2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000023257929 1069886466 /nfs/dbraw/zinc/88/64/66/1069886466.db2.gz DZJRWJPIAAFDKQ-YADHBBJMSA-N 0 0 460.600 0.871 20 30 JCEDRN N#Cc1ccc(CN2CCN(CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000023257932 1069886607 /nfs/dbraw/zinc/88/66/07/1069886607.db2.gz DZJRWJPIAAFDKQ-FGZHOGPDSA-N 0 0 460.600 0.871 20 30 JCEDRN N#Cc1ccc(CN2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000023257935 1069886725 /nfs/dbraw/zinc/88/67/25/1069886725.db2.gz DZJRWJPIAAFDKQ-VXKWHMMOSA-N 0 0 460.600 0.871 20 30 JCEDRN N#Cc1ccc(CN2CCN(CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000023257938 1069886749 /nfs/dbraw/zinc/88/67/49/1069886749.db2.gz DZJRWJPIAAFDKQ-FCHUYYIVSA-N 0 0 460.600 0.871 20 30 JCEDRN C=CCNC(=O)CN1CCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000023264892 1069886337 /nfs/dbraw/zinc/88/63/37/1069886337.db2.gz AUGBXJLMZLWSPA-UHFFFAOYSA-N 0 0 472.011 0.839 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023265409 1069886500 /nfs/dbraw/zinc/88/65/00/1069886500.db2.gz MNRQLHLZZDXJFG-QGZVFWFLSA-N 0 0 454.618 0.184 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000023265413 1069886763 /nfs/dbraw/zinc/88/67/63/1069886763.db2.gz MNRQLHLZZDXJFG-KRWDZBQOSA-N 0 0 454.618 0.184 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)CC1 ZINC000023266195 1069886633 /nfs/dbraw/zinc/88/66/33/1069886633.db2.gz KPLUPCVDVMPLIZ-UHFFFAOYSA-N 0 0 473.618 0.576 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1=O ZINC000023297464 1069727397 /nfs/dbraw/zinc/72/73/97/1069727397.db2.gz XZHUOWKYYJJBPQ-UHFFFAOYSA-N 0 0 460.512 0.139 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2I)c1=O ZINC000023297476 1069727147 /nfs/dbraw/zinc/72/71/47/1069727147.db2.gz XQXSUMYXGNRULZ-UHFFFAOYSA-N 0 0 468.251 0.787 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)c1=O ZINC000023297495 1069727082 /nfs/dbraw/zinc/72/70/82/1069727082.db2.gz CZJPARMHJNYYGM-UHFFFAOYSA-N 0 0 460.512 0.139 20 30 JCEDRN C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C(N)=O)C(N)=O)c1 ZINC000023388261 1067649852 /nfs/dbraw/zinc/64/98/52/1067649852.db2.gz SRORWTOLBAJNRA-UHFFFAOYSA-N 0 0 480.930 0.799 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)cc1 ZINC000023416571 1067657193 /nfs/dbraw/zinc/65/71/93/1067657193.db2.gz LFQNZXOGWXIBQT-UHFFFAOYSA-N 0 0 459.572 0.382 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000023463100 1067683529 /nfs/dbraw/zinc/68/35/29/1067683529.db2.gz WWPSOZCZHUJWHV-UHFFFAOYSA-N 0 0 494.581 0.984 20 30 JCEDRN C=CCn1c(SCC(=O)NCC(=O)OC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000023557712 1069903569 /nfs/dbraw/zinc/90/35/69/1069903569.db2.gz GTCDLXSXYPPJBY-UHFFFAOYSA-N 0 0 495.583 0.533 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000023557838 1067814973 /nfs/dbraw/zinc/81/49/73/1067814973.db2.gz HLYAKPZTBHHKBW-AWEZNQCLSA-N 0 0 481.556 0.363 20 30 JCEDRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000023617104 1067724359 /nfs/dbraw/zinc/72/43/59/1067724359.db2.gz GCDAWRHBWKMEFK-UHFFFAOYSA-N 0 0 478.552 0.984 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000023696334 1067738980 /nfs/dbraw/zinc/73/89/80/1067738980.db2.gz LHOFIIGWCLRUGM-UHFFFAOYSA-N 0 0 469.567 0.919 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 ZINC000023701121 1067738957 /nfs/dbraw/zinc/73/89/57/1067738957.db2.gz BSVSLZACEHRZLC-UHFFFAOYSA-N 0 0 469.995 0.582 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1=O ZINC000023840457 1067767935 /nfs/dbraw/zinc/76/79/35/1067767935.db2.gz XKPGAPPMMYYCPE-UHFFFAOYSA-N 0 0 497.577 0.661 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=O ZINC000023840553 1067767978 /nfs/dbraw/zinc/76/79/78/1067767978.db2.gz RNZNRPBDSLMWQE-UHFFFAOYSA-N 0 0 481.962 0.161 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1=O ZINC000023840649 1067767873 /nfs/dbraw/zinc/76/78/73/1067767873.db2.gz AMTOKMCCLJSWGN-UHFFFAOYSA-N 0 0 475.571 0.125 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1=O ZINC000023843512 1067769087 /nfs/dbraw/zinc/76/90/87/1067769087.db2.gz OWDYCJQFQMOUOS-UHFFFAOYSA-N 0 0 487.991 0.223 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1=O ZINC000023844853 1067769065 /nfs/dbraw/zinc/76/90/65/1067769065.db2.gz IGQBIQUGLVEQNN-UHFFFAOYSA-N 0 0 455.515 0.090 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1=O ZINC000023847440 1067769012 /nfs/dbraw/zinc/76/90/12/1067769012.db2.gz VCXBWFFDNMUAPM-UHFFFAOYSA-N 0 0 468.558 0.374 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3ccccc3CC)CC2)c1=O ZINC000023850554 1067769096 /nfs/dbraw/zinc/76/90/96/1067769096.db2.gz OIDCRSCQXNYLAY-UHFFFAOYSA-N 0 0 468.558 0.320 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1=O ZINC000023850647 1067769080 /nfs/dbraw/zinc/76/90/80/1067769080.db2.gz YTFNFIXLERDUKZ-UHFFFAOYSA-N 0 0 474.949 0.411 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1=O ZINC000023853024 1067770162 /nfs/dbraw/zinc/77/01/62/1067770162.db2.gz NPRULCBTTPQTOU-UHFFFAOYSA-N 0 0 468.558 0.374 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1=O ZINC000023853959 1067770265 /nfs/dbraw/zinc/77/02/65/1067770265.db2.gz QXFAWDCEBSQXCP-UHFFFAOYSA-N 0 0 469.498 0.581 20 30 JCEDRN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000024051331 1067795864 /nfs/dbraw/zinc/79/58/64/1067795864.db2.gz CBSCUVIISRIVBD-UHFFFAOYSA-N 0 0 469.566 0.657 20 30 JCEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000024138741 1070303765 /nfs/dbraw/zinc/30/37/65/1070303765.db2.gz XCHNDUUVYTULAS-QHCPKHFHSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000024138746 1070303564 /nfs/dbraw/zinc/30/35/64/1070303564.db2.gz XCHNDUUVYTULAS-HSZRJFAPSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000024138829 1070303583 /nfs/dbraw/zinc/30/35/83/1070303583.db2.gz DRUWXCUHXYJBAN-QHCPKHFHSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000024138834 1070303745 /nfs/dbraw/zinc/30/37/45/1070303745.db2.gz DRUWXCUHXYJBAN-HSZRJFAPSA-N 0 0 499.524 0.997 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c(=O)n2C ZINC000024149287 1067808234 /nfs/dbraw/zinc/80/82/34/1067808234.db2.gz ZKLWWMRYGFEEPT-UHFFFAOYSA-N 0 0 477.399 0.164 20 30 JCEDRN CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000024185892 1067812449 /nfs/dbraw/zinc/81/24/49/1067812449.db2.gz LQZIFOSTPVIBPW-UHFFFAOYSA-N 0 0 478.552 0.887 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)cc1 ZINC000024185910 1067812481 /nfs/dbraw/zinc/81/24/81/1067812481.db2.gz XIIDLBALGWYXKR-UHFFFAOYSA-N 0 0 493.567 0.054 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)CC2)cc1 ZINC000024185918 1067812421 /nfs/dbraw/zinc/81/24/21/1067812421.db2.gz UOPIUCRTTYAHML-UHFFFAOYSA-N 0 0 467.507 0.485 20 30 JCEDRN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000024354810 1067917256 /nfs/dbraw/zinc/91/72/56/1067917256.db2.gz JLURRTFZFXDXPW-UHFFFAOYSA-N 0 0 478.552 0.838 20 30 JCEDRN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000024356188 1067917365 /nfs/dbraw/zinc/91/73/65/1067917365.db2.gz KSRUNCWQWFZXLT-UHFFFAOYSA-N 0 0 478.552 0.838 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC000024358021 1067917802 /nfs/dbraw/zinc/91/78/02/1067917802.db2.gz VZMPGQUEXUVBTM-HNNXBMFYSA-N 0 0 452.533 0.570 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC000024358025 1067917780 /nfs/dbraw/zinc/91/77/80/1067917780.db2.gz VZMPGQUEXUVBTM-OAHLLOKOSA-N 0 0 452.533 0.570 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000024376061 1067921449 /nfs/dbraw/zinc/92/14/49/1067921449.db2.gz JESNZALDHKQHBW-UHFFFAOYSA-N 0 0 498.608 0.504 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000024380202 1067921364 /nfs/dbraw/zinc/92/13/64/1067921364.db2.gz INMVCOSFXGCCCO-ZDUSSCGKSA-N 0 0 455.493 0.310 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000024380204 1067921400 /nfs/dbraw/zinc/92/14/00/1067921400.db2.gz INMVCOSFXGCCCO-CYBMUJFWSA-N 0 0 455.493 0.310 20 30 JCEDRN N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 ZINC000024442440 1067956441 /nfs/dbraw/zinc/95/64/41/1067956441.db2.gz SQSGRKYNXBRNPI-UHFFFAOYSA-N 0 0 477.568 0.485 20 30 JCEDRN CN(CCS(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000024442702 1067955973 /nfs/dbraw/zinc/95/59/73/1067955973.db2.gz NGNYZLKSYYHNEN-UHFFFAOYSA-N 0 0 467.548 0.865 20 30 JCEDRN CCCCn1c(N)c(N(CCOC)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000024594712 1067993809 /nfs/dbraw/zinc/99/38/09/1067993809.db2.gz BBNOZUHACGEZBO-UHFFFAOYSA-N 0 0 492.558 0.091 20 30 JCEDRN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000024680685 1068037914 /nfs/dbraw/zinc/03/79/14/1068037914.db2.gz QTLJZUGASWUGGS-SFHVURJKSA-N 0 0 468.601 0.889 20 30 JCEDRN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000024680690 1068037682 /nfs/dbraw/zinc/03/76/82/1068037682.db2.gz QTLJZUGASWUGGS-GOSISDBHSA-N 0 0 468.601 0.889 20 30 JCEDRN C=CCc1cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc(OC)c1OC ZINC000024698271 1068043874 /nfs/dbraw/zinc/04/38/74/1068043874.db2.gz LHZXZBVKWIXKQC-UHFFFAOYSA-N 0 0 452.577 0.682 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000024709751 1068050573 /nfs/dbraw/zinc/05/05/73/1068050573.db2.gz LEVFOXIQELGJJZ-UHFFFAOYSA-N 0 0 458.606 0.326 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1=O ZINC000024711643 1069724128 /nfs/dbraw/zinc/72/41/28/1069724128.db2.gz UKSWIFJNKPLNTO-UHFFFAOYSA-N 0 0 468.510 0.901 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)OCCCn3c(=O)c4c(ncn4C)n(C)c3=O)cc2C1=O ZINC000024719238 1068057694 /nfs/dbraw/zinc/05/76/94/1068057694.db2.gz SCTFEFDNJZDIKU-UHFFFAOYSA-N 0 0 451.439 0.463 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000024732985 1068082532 /nfs/dbraw/zinc/08/25/32/1068082532.db2.gz FASAGEFSELMINO-UHFFFAOYSA-N 0 0 485.478 0.725 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000024732993 1068082652 /nfs/dbraw/zinc/08/26/52/1068082652.db2.gz SHIHCCRZCBMRNE-UHFFFAOYSA-N 0 0 452.496 0.586 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000024733062 1068082832 /nfs/dbraw/zinc/08/28/32/1068082832.db2.gz BVPMAJHMAFMRBN-UHFFFAOYSA-N 0 0 492.579 0.630 20 30 JCEDRN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000024733070 1068082708 /nfs/dbraw/zinc/08/27/08/1068082708.db2.gz BVJSMQIZUFWSIZ-UHFFFAOYSA-N 0 0 462.553 0.922 20 30 JCEDRN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000024733108 1068082617 /nfs/dbraw/zinc/08/26/17/1068082617.db2.gz COLKYSLTOGTAIO-QHCPKHFHSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000024733112 1068082815 /nfs/dbraw/zinc/08/28/15/1068082815.db2.gz COLKYSLTOGTAIO-HSZRJFAPSA-N 0 0 499.524 0.997 20 30 JCEDRN CCCCn1c(N)c(N(CC)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000024735794 1068082633 /nfs/dbraw/zinc/08/26/33/1068082633.db2.gz ZFOMZEYBWCBEPG-UHFFFAOYSA-N 0 0 462.532 0.464 20 30 JCEDRN CCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000024745982 1068099841 /nfs/dbraw/zinc/09/98/41/1068099841.db2.gz UQCSIARKXXRTHM-UHFFFAOYSA-N 0 0 476.559 0.854 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)c1 ZINC000024759293 1068130058 /nfs/dbraw/zinc/13/00/58/1068130058.db2.gz CODPLDRBZAKTIA-UHFFFAOYSA-N 0 0 454.512 0.036 20 30 JCEDRN Cc1cc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n2ncnc2n1 ZINC000024769921 1068130857 /nfs/dbraw/zinc/13/08/57/1068130857.db2.gz AQTBTACYONFXJU-UHFFFAOYSA-N 0 0 454.516 0.274 20 30 JCEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000024770613 1068130819 /nfs/dbraw/zinc/13/08/19/1068130819.db2.gz WCILDKAXSPNOCZ-OAQYLSRUSA-N 0 0 485.541 0.969 20 30 JCEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000024770616 1068130786 /nfs/dbraw/zinc/13/07/86/1068130786.db2.gz WCILDKAXSPNOCZ-NRFANRHFSA-N 0 0 485.541 0.969 20 30 JCEDRN CCCCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000024803912 1068133118 /nfs/dbraw/zinc/13/31/18/1068133118.db2.gz AMEYCYTWDCFCSF-LJQANCHMSA-N 0 0 482.628 0.680 20 30 JCEDRN CCCCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000024803918 1068133127 /nfs/dbraw/zinc/13/31/27/1068133127.db2.gz AMEYCYTWDCFCSF-IBGZPJMESA-N 0 0 482.628 0.680 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)c1ccccc1 ZINC000024846744 1068139995 /nfs/dbraw/zinc/13/99/95/1068139995.db2.gz QTJKVINYFKYDRH-UHFFFAOYSA-N 0 0 462.553 0.712 20 30 JCEDRN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000024859848 1068140566 /nfs/dbraw/zinc/14/05/66/1068140566.db2.gz AVSOKMNUGAHXNJ-UHFFFAOYSA-N 0 0 453.484 0.695 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CC1 ZINC000024860050 1068140485 /nfs/dbraw/zinc/14/04/85/1068140485.db2.gz NKLPFPJCQYCTFP-UHFFFAOYSA-N 0 0 480.506 0.438 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1=O ZINC000024876939 1070306655 /nfs/dbraw/zinc/30/66/55/1070306655.db2.gz XSGVTHXCTIGDRK-UHFFFAOYSA-N 0 0 453.499 0.855 20 30 JCEDRN C=CCn1c(SCCC(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000024893401 1069913503 /nfs/dbraw/zinc/91/35/03/1069913503.db2.gz XPTAYYCINUMFEG-UHFFFAOYSA-N 0 0 480.572 0.829 20 30 JCEDRN C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(=O)OCC)c1C ZINC000024906449 1068299686 /nfs/dbraw/zinc/29/96/86/1068299686.db2.gz MYDZCOQEACQACA-UHFFFAOYSA-N 0 0 489.510 0.962 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000024947988 1069163962 /nfs/dbraw/zinc/16/39/62/1069163962.db2.gz FZQRVVIWGNVUMS-KRWDZBQOSA-N 0 0 454.508 0.522 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000024947991 1069161678 /nfs/dbraw/zinc/16/16/78/1069161678.db2.gz FZQRVVIWGNVUMS-QGZVFWFLSA-N 0 0 454.508 0.522 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C ZINC000024976919 1069354799 /nfs/dbraw/zinc/35/47/99/1069354799.db2.gz MTKOLDKAAGILNO-GOSISDBHSA-N 0 0 469.516 0.706 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C ZINC000024976925 1069355116 /nfs/dbraw/zinc/35/51/16/1069355116.db2.gz MTKOLDKAAGILNO-SFHVURJKSA-N 0 0 469.516 0.706 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000025084268 1069367862 /nfs/dbraw/zinc/36/78/62/1069367862.db2.gz SJVXBCQDVAIBDG-UHFFFAOYSA-N 0 0 492.579 0.720 20 30 JCEDRN Cn1c2ncc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)cc2c(=O)n(C)c1=O ZINC000025164573 1069469705 /nfs/dbraw/zinc/46/97/05/1069469705.db2.gz OMFVZSVNMQRHEN-UHFFFAOYSA-N 0 0 476.472 0.773 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000025165818 1069469638 /nfs/dbraw/zinc/46/96/38/1069469638.db2.gz GNQJLROGLKZIFI-WMLDXEAASA-N 0 0 488.545 0.550 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000025165826 1069470188 /nfs/dbraw/zinc/47/01/88/1069470188.db2.gz GNQJLROGLKZIFI-RHSMWYFYSA-N 0 0 488.545 0.550 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000025165835 1069470255 /nfs/dbraw/zinc/47/02/55/1069470255.db2.gz GNQJLROGLKZIFI-YOEHRIQHSA-N 0 0 488.545 0.550 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000025165843 1069470186 /nfs/dbraw/zinc/47/01/86/1069470186.db2.gz GNQJLROGLKZIFI-PBHICJAKSA-N 0 0 488.545 0.550 20 30 JCEDRN Cn1c2nc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)ccc2c(=O)n(C)c1=O ZINC000025166008 1069470227 /nfs/dbraw/zinc/47/02/27/1069470227.db2.gz YNSXXUDHVMJPGX-UHFFFAOYSA-N 0 0 476.472 0.773 20 30 JCEDRN Cn1cc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000025251285 1070308482 /nfs/dbraw/zinc/30/84/82/1070308482.db2.gz WPBMMLCCAHEJKB-XOBNHNQQSA-N 0 0 489.532 0.033 20 30 JCEDRN Cn1cc(/C=C2\CC(C(C)(C)C)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000025251289 1070308197 /nfs/dbraw/zinc/30/81/97/1070308197.db2.gz CHTADWWLEMWVCN-VOMDNODZSA-N 0 0 454.527 0.974 20 30 JCEDRN Cn1cc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000025251646 1070308214 /nfs/dbraw/zinc/30/82/14/1070308214.db2.gz XPDFDAUPWQZVOB-ODPUSEOTSA-N 0 0 499.527 0.773 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000025270492 1069640846 /nfs/dbraw/zinc/64/08/46/1069640846.db2.gz SVBLBZDHBLMCAX-UHFFFAOYSA-N 0 0 462.553 0.923 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025279174 1069642473 /nfs/dbraw/zinc/64/24/73/1069642473.db2.gz HDNSWTGTLNJDKI-UHFFFAOYSA-N 0 0 480.543 0.851 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000025345861 1069645946 /nfs/dbraw/zinc/64/59/46/1069645946.db2.gz AHFDUOFAKMQXQB-UHFFFAOYSA-N 0 0 461.565 0.886 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025346489 1069646053 /nfs/dbraw/zinc/64/60/53/1069646053.db2.gz ZQZZYUKWYKDQMJ-UHFFFAOYSA-N 0 0 476.580 0.853 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025348771 1069646764 /nfs/dbraw/zinc/64/67/64/1069646764.db2.gz AUBGMZBSAAPBDG-UHFFFAOYSA-N 0 0 498.533 0.990 20 30 JCEDRN CN(CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025386447 1069648117 /nfs/dbraw/zinc/64/81/17/1069648117.db2.gz NYXHPMAPUCWGAT-UHFFFAOYSA-N 0 0 455.540 0.962 20 30 JCEDRN CN(CC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025386748 1069648129 /nfs/dbraw/zinc/64/81/29/1069648129.db2.gz ALFUQCDBFWQMAF-UHFFFAOYSA-N 0 0 469.567 0.639 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(CC(=O)NC4CC4)CC3)n2c2ccccc2c1=O ZINC000025394749 1069917516 /nfs/dbraw/zinc/91/75/16/1069917516.db2.gz BDEJIIKPSLRDAA-UHFFFAOYSA-N 0 0 481.582 0.745 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000025438974 1069650307 /nfs/dbraw/zinc/65/03/07/1069650307.db2.gz YPSFAYSZFQGKJM-UHFFFAOYSA-N 0 0 467.507 0.757 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000025450017 1069650266 /nfs/dbraw/zinc/65/02/66/1069650266.db2.gz DMCOGZIYXXOXBJ-UHFFFAOYSA-N 0 0 487.563 0.897 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)cc1 ZINC000025453531 1069651214 /nfs/dbraw/zinc/65/12/14/1069651214.db2.gz NKOXTHGBKQXBNW-UHFFFAOYSA-N 0 0 467.507 0.757 20 30 JCEDRN CN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025506730 1069653305 /nfs/dbraw/zinc/65/33/05/1069653305.db2.gz ZTYKTPVNFCQLGB-UHFFFAOYSA-N 0 0 461.588 0.726 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c1=O ZINC000025521363 1069975221 /nfs/dbraw/zinc/97/52/21/1069975221.db2.gz VPSREYGKDYWVSM-UHFFFAOYSA-N 0 0 491.570 0.521 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(I)cc2)c1=O ZINC000025521459 1069654087 /nfs/dbraw/zinc/65/40/87/1069654087.db2.gz XYVDHTNOQRASQA-UHFFFAOYSA-N 0 0 468.251 0.787 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1=O ZINC000025521489 1069654062 /nfs/dbraw/zinc/65/40/62/1069654062.db2.gz BUXJIOKLKWYVSE-UHFFFAOYSA-N 0 0 477.543 0.213 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)c1=O ZINC000025521593 1069654072 /nfs/dbraw/zinc/65/40/72/1069654072.db2.gz SDOWCSGGOOAGQP-UHFFFAOYSA-N 0 0 460.512 0.909 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1=O ZINC000025521648 1069654052 /nfs/dbraw/zinc/65/40/52/1069654052.db2.gz RSLHRTSYIHYLTO-UHFFFAOYSA-N 0 0 483.934 0.086 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000025521913 1069975019 /nfs/dbraw/zinc/97/50/19/1069975019.db2.gz ZGDCHWZBRXWHPT-UHFFFAOYSA-N 0 0 481.431 0.660 20 30 JCEDRN CN(CC(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025535785 1068196805 /nfs/dbraw/zinc/19/68/05/1068196805.db2.gz KACYUCZWCZNHJA-NRFANRHFSA-N 0 0 484.534 0.832 20 30 JCEDRN CN(CC(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025535790 1068196831 /nfs/dbraw/zinc/19/68/31/1068196831.db2.gz KACYUCZWCZNHJA-OAQYLSRUSA-N 0 0 484.534 0.832 20 30 JCEDRN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000025573531 1069660293 /nfs/dbraw/zinc/66/02/93/1069660293.db2.gz PKRSGBQEIKCDFR-UHFFFAOYSA-N 0 0 454.512 0.323 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025625171 1069662540 /nfs/dbraw/zinc/66/25/40/1069662540.db2.gz XOHZBXGXVTUXSM-UHFFFAOYSA-N 0 0 487.563 0.584 20 30 JCEDRN N#CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000025694724 1069665448 /nfs/dbraw/zinc/66/54/48/1069665448.db2.gz JSWQPVBHXFJEEJ-GOSISDBHSA-N 0 0 494.595 0.146 20 30 JCEDRN N#CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000025694728 1069665436 /nfs/dbraw/zinc/66/54/36/1069665436.db2.gz JSWQPVBHXFJEEJ-SFHVURJKSA-N 0 0 494.595 0.146 20 30 JCEDRN Cc1cc(NC(=O)CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 ZINC000025756733 1069685048 /nfs/dbraw/zinc/68/50/48/1069685048.db2.gz MRVHUZAWRHZFAE-UHFFFAOYSA-N 0 0 460.516 0.258 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025821061 1069698784 /nfs/dbraw/zinc/69/87/84/1069698784.db2.gz JWKONELLEBOAEN-UHFFFAOYSA-N 0 0 483.616 0.444 20 30 JCEDRN CCCCNC(=O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000025926145 1069706348 /nfs/dbraw/zinc/70/63/48/1069706348.db2.gz RRXOFCFRQUQRKF-UHFFFAOYSA-N 0 0 483.573 0.989 20 30 JCEDRN CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000025937604 1069707754 /nfs/dbraw/zinc/70/77/54/1069707754.db2.gz IPUWVWYUBOTPNI-UHFFFAOYSA-N 0 0 454.516 0.204 20 30 JCEDRN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C)nc(C)c2C#N)c(=O)[nH]c1=O ZINC000025960429 1069708386 /nfs/dbraw/zinc/70/83/86/1069708386.db2.gz JMNXKWHWGQTSOR-UHFFFAOYSA-N 0 0 461.548 0.969 20 30 JCEDRN COCCN(C(=O)CSc1nc(C)nc(C)c1C#N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000025960674 1069708428 /nfs/dbraw/zinc/70/84/28/1069708428.db2.gz XZXHOQVCAXJEEL-UHFFFAOYSA-N 0 0 461.548 0.825 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000025962380 1069708572 /nfs/dbraw/zinc/70/85/72/1069708572.db2.gz LSAYFBZFHKHLHK-UHFFFAOYSA-N 0 0 460.468 0.166 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000025962420 1069708347 /nfs/dbraw/zinc/70/83/47/1069708347.db2.gz CXPHVXCEJGYUJX-UHFFFAOYSA-N 0 0 460.468 0.166 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000025962446 1069708419 /nfs/dbraw/zinc/70/84/19/1069708419.db2.gz KRHHGPDAOYRUJX-UHFFFAOYSA-N 0 0 474.495 0.475 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000025962671 1069708404 /nfs/dbraw/zinc/70/84/04/1069708404.db2.gz JUKMOYIRTHCBGK-UHFFFAOYSA-N 0 0 494.913 0.820 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000025963158 1069708512 /nfs/dbraw/zinc/70/85/12/1069708512.db2.gz YDKFWGDWYXSLTF-UHFFFAOYSA-N 0 0 490.494 0.175 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000025963335 1069709135 /nfs/dbraw/zinc/70/91/35/1069709135.db2.gz CYTLWMWKKPLGCN-UHFFFAOYSA-N 0 0 478.914 0.693 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000025964807 1069709069 /nfs/dbraw/zinc/70/90/69/1069709069.db2.gz QGZYGAVQMZZGRJ-UHFFFAOYSA-N 0 0 462.459 0.179 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 ZINC000025964812 1069709202 /nfs/dbraw/zinc/70/92/02/1069709202.db2.gz HOJHDYGBLNMSTM-UHFFFAOYSA-N 0 0 486.506 0.242 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 ZINC000025965018 1069709021 /nfs/dbraw/zinc/70/90/21/1069709021.db2.gz HTCWHFAGHRRXTE-UHFFFAOYSA-N 0 0 474.495 0.048 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000025965025 1069709223 /nfs/dbraw/zinc/70/92/23/1069709223.db2.gz FMNDZRWKEREKBR-UHFFFAOYSA-N 0 0 462.459 0.179 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000025965030 1069708988 /nfs/dbraw/zinc/70/89/88/1069708988.db2.gz GJIUYWPRYIEGIG-UHFFFAOYSA-N 0 0 472.523 0.657 20 30 JCEDRN CCCCn1c(N)c(N(C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)C2CCCC2)c(=O)[nH]c1=O ZINC000025965036 1069709061 /nfs/dbraw/zinc/70/90/61/1069709061.db2.gz ZHPZPAIPRZPRNE-UHFFFAOYSA-N 0 0 484.513 0.715 20 30 JCEDRN CCOC(=O)C(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000025983775 1069710067 /nfs/dbraw/zinc/71/00/67/1069710067.db2.gz JCHFPIYSNAEDMT-UHFFFAOYSA-N 0 0 451.501 0.570 20 30 JCEDRN CN1C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(=O)C12CCCCC2 ZINC000026016571 1069715977 /nfs/dbraw/zinc/71/59/77/1069715977.db2.gz ZMEALSWTDYPNBE-UHFFFAOYSA-N 0 0 473.555 0.988 20 30 JCEDRN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1OCC(N)=O ZINC000026016608 1069716079 /nfs/dbraw/zinc/71/60/79/1069716079.db2.gz TZWXSWAJDRBXNC-UHFFFAOYSA-N 0 0 458.496 0.578 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000026016614 1068060610 /nfs/dbraw/zinc/06/06/10/1068060610.db2.gz BFKJOSJHOPFPFX-AWEZNQCLSA-N 0 0 481.556 0.363 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000026016747 1069716036 /nfs/dbraw/zinc/71/60/36/1069716036.db2.gz RFHRSEUPGOIZHD-UHFFFAOYSA-N 0 0 472.548 0.616 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)CC2)cc1 ZINC000026016780 1069715876 /nfs/dbraw/zinc/71/58/76/1069715876.db2.gz BHMIBZNFUDQRTM-UHFFFAOYSA-N 0 0 453.480 0.095 20 30 JCEDRN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC000026016799 1069716058 /nfs/dbraw/zinc/71/60/58/1069716058.db2.gz QUKBLYIJBHUTCP-QHCPKHFHSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC000026016806 1069716067 /nfs/dbraw/zinc/71/60/67/1069716067.db2.gz QUKBLYIJBHUTCP-HSZRJFAPSA-N 0 0 499.524 0.997 20 30 JCEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000026021481 1069715859 /nfs/dbraw/zinc/71/58/59/1069715859.db2.gz NNPBWBDIMMUCNR-UHFFFAOYSA-N 0 0 459.459 0.601 20 30 JCEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000026024854 1069717514 /nfs/dbraw/zinc/71/75/14/1069717514.db2.gz LDNDOOCLPILSGL-UHFFFAOYSA-N 0 0 471.514 0.780 20 30 JCEDRN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)no1 ZINC000026047926 1069723614 /nfs/dbraw/zinc/72/36/14/1069723614.db2.gz NYDJGRQJAXZCFZ-UHFFFAOYSA-N 0 0 460.516 0.572 20 30 JCEDRN CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000026049233 1069723695 /nfs/dbraw/zinc/72/36/95/1069723695.db2.gz JPFWSPIMBSLGSF-UHFFFAOYSA-N 0 0 456.524 0.968 20 30 JCEDRN CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000026054480 1069724483 /nfs/dbraw/zinc/72/44/83/1069724483.db2.gz RIBPYDWYMLQYIL-UHFFFAOYSA-N 0 0 492.579 0.516 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000026067211 1069724558 /nfs/dbraw/zinc/72/45/58/1069724558.db2.gz WLMFLHDSSGPZLB-UHFFFAOYSA-N 0 0 463.537 0.871 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000026069409 1069724523 /nfs/dbraw/zinc/72/45/23/1069724523.db2.gz LHPPZIQORLMPNC-UHFFFAOYSA-N 0 0 493.563 0.880 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000026069811 1069724462 /nfs/dbraw/zinc/72/44/62/1069724462.db2.gz APUWQSUDLLZGBJ-UHFFFAOYSA-N 0 0 492.535 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000026069827 1069724269 /nfs/dbraw/zinc/72/42/69/1069724269.db2.gz QBPSUWFBATXMJX-UHFFFAOYSA-N 0 0 492.535 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000026069845 1069724397 /nfs/dbraw/zinc/72/43/97/1069724397.db2.gz HDTQJMVLKMNMOF-UHFFFAOYSA-N 0 0 477.564 0.753 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000026069860 1069725110 /nfs/dbraw/zinc/72/51/10/1069725110.db2.gz GAINICWXXANERJ-UHFFFAOYSA-N 0 0 492.535 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000026069887 1069725057 /nfs/dbraw/zinc/72/50/57/1069725057.db2.gz ACWVAVAARZXLCK-UHFFFAOYSA-N 0 0 465.528 0.884 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000026075816 1069726800 /nfs/dbraw/zinc/72/68/00/1069726800.db2.gz YTZSNXBSNINUIX-UHFFFAOYSA-N 0 0 492.579 0.630 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000026075950 1069726679 /nfs/dbraw/zinc/72/66/79/1069726679.db2.gz LEMKXOGCHGOXPI-UHFFFAOYSA-N 0 0 480.524 0.752 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000026112280 1069769287 /nfs/dbraw/zinc/76/92/87/1069769287.db2.gz GMIAKUYJVIGUHN-UHFFFAOYSA-N 0 0 462.509 0.584 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=O ZINC000026158634 1069899109 /nfs/dbraw/zinc/89/91/09/1069899109.db2.gz FJIPRTNTSFVUGG-UHFFFAOYSA-N 0 0 465.919 0.088 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 ZINC000026180389 1069902039 /nfs/dbraw/zinc/90/20/39/1069902039.db2.gz WIVUPMMZVMAQHL-UHFFFAOYSA-N 0 0 450.542 0.895 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000026184143 1069867437 /nfs/dbraw/zinc/86/74/37/1069867437.db2.gz XFGDENJLPDNCJX-UHFFFAOYSA-N 0 0 450.542 0.582 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000026311495 1069977920 /nfs/dbraw/zinc/97/79/20/1069977920.db2.gz HRMIJKXGJYDFES-UHFFFAOYSA-N 0 0 487.563 0.584 20 30 JCEDRN N#Cc1cccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000026337691 1069989195 /nfs/dbraw/zinc/98/91/95/1069989195.db2.gz WIEYQZKHBRVEJL-UHFFFAOYSA-N 0 0 477.568 0.541 20 30 JCEDRN C#CCNC(=O)[C@H](C)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 ZINC000026351181 1070004669 /nfs/dbraw/zinc/00/46/69/1070004669.db2.gz PUZLLJQIBXDJQW-INIZCTEOSA-N 0 0 451.549 0.885 20 30 JCEDRN C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 ZINC000026351184 1070004567 /nfs/dbraw/zinc/00/45/67/1070004567.db2.gz PUZLLJQIBXDJQW-MRXNPFEDSA-N 0 0 451.549 0.885 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000026488510 1070022949 /nfs/dbraw/zinc/02/29/49/1070022949.db2.gz WWIPQLDEAQYQNW-UHFFFAOYSA-N 0 0 499.553 0.517 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000026611256 1070250783 /nfs/dbraw/zinc/25/07/83/1070250783.db2.gz GIKCJOUFCCVAHE-UHFFFAOYSA-N 0 0 495.583 0.707 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1=O ZINC000026640555 1070258869 /nfs/dbraw/zinc/25/88/69/1070258869.db2.gz CWGFTSMHTRNYIQ-UHFFFAOYSA-N 0 0 453.499 0.096 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1=O ZINC000026640603 1070258838 /nfs/dbraw/zinc/25/88/38/1070258838.db2.gz YYDKFGITENWVBH-KRWDZBQOSA-N 0 0 456.499 0.925 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1=O ZINC000026640608 1070258898 /nfs/dbraw/zinc/25/88/98/1070258898.db2.gz YYDKFGITENWVBH-QGZVFWFLSA-N 0 0 456.499 0.925 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1=O ZINC000026668106 1070260210 /nfs/dbraw/zinc/26/02/10/1070260210.db2.gz XBTARXFUERXLLR-UHFFFAOYSA-N 0 0 489.598 0.631 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C(N)=O ZINC000026754398 1070264029 /nfs/dbraw/zinc/26/40/29/1070264029.db2.gz GZUDXEPSBKXXIV-UHFFFAOYSA-N 0 0 464.525 0.361 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000026754421 1070264685 /nfs/dbraw/zinc/26/46/85/1070264685.db2.gz MTJLRHFEQQFKJL-QGZVFWFLSA-N 0 0 470.573 0.384 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000026754425 1070263908 /nfs/dbraw/zinc/26/39/08/1070263908.db2.gz MTJLRHFEQQFKJL-KRWDZBQOSA-N 0 0 470.573 0.384 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(N)=O ZINC000026763381 1070264849 /nfs/dbraw/zinc/26/48/49/1070264849.db2.gz XKWNMGSHOKTVFV-UHFFFAOYSA-N 0 0 464.525 0.361 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000026763394 1070264864 /nfs/dbraw/zinc/26/48/64/1070264864.db2.gz RJVIRWPNOJSMOF-QGZVFWFLSA-N 0 0 470.573 0.384 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000026763397 1070264647 /nfs/dbraw/zinc/26/46/47/1070264647.db2.gz RJVIRWPNOJSMOF-KRWDZBQOSA-N 0 0 470.573 0.384 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000026765685 1070264770 /nfs/dbraw/zinc/26/47/70/1070264770.db2.gz GOBPWMIJMMTVFD-UHFFFAOYSA-N 0 0 473.349 0.389 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000026820713 1070266044 /nfs/dbraw/zinc/26/60/44/1070266044.db2.gz UXKVDICQBHFUMQ-UHFFFAOYSA-N 0 0 468.451 0.847 20 30 JCEDRN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000026879638 1070268286 /nfs/dbraw/zinc/26/82/86/1070268286.db2.gz IFPOUPSBAWYYHA-UHFFFAOYSA-N 0 0 453.484 0.695 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C3CC3)CC2)cc1 ZINC000026879956 1070268343 /nfs/dbraw/zinc/26/83/43/1070268343.db2.gz XLXYAXYLISTWKN-UHFFFAOYSA-N 0 0 480.506 0.438 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000026902027 1070269122 /nfs/dbraw/zinc/26/91/22/1070269122.db2.gz RRGUYIITERXVQT-UHFFFAOYSA-N 0 0 469.571 0.393 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000026908468 1070270033 /nfs/dbraw/zinc/27/00/33/1070270033.db2.gz BXQRLEIUUUAECV-UHFFFAOYSA-N 0 0 492.579 0.829 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000026942592 1070272194 /nfs/dbraw/zinc/27/21/94/1070272194.db2.gz HLYIMQKABKXIPZ-UHFFFAOYSA-N 0 0 492.535 0.653 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)cc1 ZINC000026943774 1070272644 /nfs/dbraw/zinc/27/26/44/1070272644.db2.gz QELAHXZBHDQAON-UHFFFAOYSA-N 0 0 452.496 0.586 20 30 JCEDRN CC(C)(C)c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1N ZINC000027089966 1070281294 /nfs/dbraw/zinc/28/12/94/1070281294.db2.gz AUJHSNDMBDKUAN-UHFFFAOYSA-N 0 0 463.589 0.786 20 30 JCEDRN COc1ccc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000027133646 1067834198 /nfs/dbraw/zinc/83/41/98/1067834198.db2.gz KWBJBVPAKJYWAQ-UHFFFAOYSA-N 0 0 485.566 0.874 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 ZINC000027165496 1070284665 /nfs/dbraw/zinc/28/46/65/1070284665.db2.gz QYMFWTQZDGVHKZ-UHFFFAOYSA-N 0 0 450.561 0.076 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000027165569 1070285153 /nfs/dbraw/zinc/28/51/53/1070285153.db2.gz YBWKYKUTQZCGDW-UHFFFAOYSA-N 0 0 450.561 0.540 20 30 JCEDRN CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]c1=O ZINC000027252344 1070288346 /nfs/dbraw/zinc/28/83/46/1070288346.db2.gz CKWCQMYMXPYHHF-UHFFFAOYSA-N 0 0 450.546 0.478 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3ccco3)n2N)CC1 ZINC000027260535 1070288415 /nfs/dbraw/zinc/28/84/15/1070288415.db2.gz SONKFRSGZXAENX-UHFFFAOYSA-N 0 0 473.540 0.749 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027352914 1070291526 /nfs/dbraw/zinc/29/15/26/1070291526.db2.gz XZIWRFWNVNUCAU-UHFFFAOYSA-N 0 0 450.542 0.591 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(=O)NCCC#N)CC2)c([N+](=O)[O-])c1 ZINC000027352918 1070291230 /nfs/dbraw/zinc/29/12/30/1070291230.db2.gz VXFKCLSFKOXZNJ-UHFFFAOYSA-N 0 0 452.537 0.777 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3ccccn3)CC2)CC1 ZINC000027379080 1070291935 /nfs/dbraw/zinc/29/19/35/1070291935.db2.gz HOMDYHHPHBKOSH-UHFFFAOYSA-N 0 0 468.583 0.604 20 30 JCEDRN COCCn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000027424955 1070293362 /nfs/dbraw/zinc/29/33/62/1070293362.db2.gz AZPUOMHEHADUBX-UHFFFAOYSA-N 0 0 450.546 0.421 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1=O ZINC000027477416 1070294402 /nfs/dbraw/zinc/29/44/02/1070294402.db2.gz MFESHAPZPAEECP-UHFFFAOYSA-N 0 0 481.962 0.161 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1=O ZINC000027482381 1070294263 /nfs/dbraw/zinc/29/42/63/1070294263.db2.gz KLVJDKJGRSGHDM-UHFFFAOYSA-N 0 0 475.571 0.125 20 30 JCEDRN C#CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC=C ZINC000027502653 1070295096 /nfs/dbraw/zinc/29/50/96/1070295096.db2.gz SUVAFKKLDSJZOQ-UHFFFAOYSA-N 0 0 461.569 0.994 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1=O ZINC000027507400 1070295120 /nfs/dbraw/zinc/29/51/20/1070295120.db2.gz LYNONEXCWXYOOL-UHFFFAOYSA-N 0 0 481.962 0.161 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1=O ZINC000027535007 1070296420 /nfs/dbraw/zinc/29/64/20/1070296420.db2.gz SDGAGLGDMUWJEI-UHFFFAOYSA-N 0 0 467.573 0.006 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000027543023 1070297681 /nfs/dbraw/zinc/29/76/81/1070297681.db2.gz ROTSTPHOGUWMIE-UHFFFAOYSA-N 0 0 460.579 0.428 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CC1 ZINC000027559156 1070298175 /nfs/dbraw/zinc/29/81/75/1070298175.db2.gz UHVIFIAMWJAIIL-UHFFFAOYSA-N 0 0 490.630 0.796 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 ZINC000027559581 1070298279 /nfs/dbraw/zinc/29/82/79/1070298279.db2.gz DMWLHNOKXGZVBD-UHFFFAOYSA-N 0 0 473.599 0.844 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000027559794 1070298118 /nfs/dbraw/zinc/29/81/18/1070298118.db2.gz XIYBOKPLFVQTQQ-UHFFFAOYSA-N 0 0 490.051 0.154 20 30 JCEDRN C=CCNC(=O)CN1CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000027560363 1070298301 /nfs/dbraw/zinc/29/83/01/1070298301.db2.gz YHBDZYDBCAWVCO-UHFFFAOYSA-N 0 0 452.577 0.006 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)c1=O ZINC000027580968 1070299309 /nfs/dbraw/zinc/29/93/09/1070299309.db2.gz PEINPBTWJYOOMO-MRXNPFEDSA-N 0 0 457.443 0.008 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)c1=O ZINC000027580974 1070298887 /nfs/dbraw/zinc/29/88/87/1070298887.db2.gz PEINPBTWJYOOMO-INIZCTEOSA-N 0 0 457.443 0.008 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)CC1 ZINC000027584279 1070299035 /nfs/dbraw/zinc/29/90/35/1070299035.db2.gz VDLUIZMNKWLSAA-UHFFFAOYSA-N 0 0 455.475 0.884 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(SCC(N)=O)s2)CC1 ZINC000027590371 1070299137 /nfs/dbraw/zinc/29/91/37/1070299137.db2.gz GIXGUSDPVPETAS-UHFFFAOYSA-N 0 0 498.637 0.612 20 30 JCEDRN CCC(CC)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000027609450 1070299953 /nfs/dbraw/zinc/29/99/53/1070299953.db2.gz JTQRELXHQCANAU-UHFFFAOYSA-N 0 0 475.615 0.972 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1 ZINC000027633345 1070302603 /nfs/dbraw/zinc/30/26/03/1070302603.db2.gz CLUICWRTNJVHBC-UHFFFAOYSA-N 0 0 455.544 0.003 20 30 JCEDRN COCCCn1c(=O)[nH]nc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000027665253 1070304521 /nfs/dbraw/zinc/30/45/21/1070304521.db2.gz NOTUWUYQONFCFO-UHFFFAOYSA-N 0 0 480.572 0.105 20 30 JCEDRN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)c(C#N)c1C ZINC000027945161 1070311872 /nfs/dbraw/zinc/31/18/72/1070311872.db2.gz VKLNYOIKWLCLSA-UHFFFAOYSA-N 0 0 460.472 0.173 20 30 JCEDRN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)c(C#N)c1C ZINC000027945166 1070311709 /nfs/dbraw/zinc/31/17/09/1070311709.db2.gz HPUFZUBXEPWUOK-UHFFFAOYSA-N 0 0 460.472 0.173 20 30 JCEDRN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)cc1 ZINC000027945176 1070311745 /nfs/dbraw/zinc/31/17/45/1070311745.db2.gz RXBXTCODSJTEML-UHFFFAOYSA-N 0 0 459.528 0.664 20 30 JCEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)c1 ZINC000027945179 1070311611 /nfs/dbraw/zinc/31/16/11/1070311611.db2.gz KQFWLDWQLLPPPM-UHFFFAOYSA-N 0 0 475.527 0.282 20 30 JCEDRN C=CCn1c(SCCN2C(=O)CNC2=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000028012918 1070313968 /nfs/dbraw/zinc/31/39/68/1070313968.db2.gz AUKUMSMGEXMENQ-UHFFFAOYSA-N 0 0 492.583 0.796 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000028089153 1070314449 /nfs/dbraw/zinc/31/44/49/1070314449.db2.gz IHUAXUATNCWZIO-UHFFFAOYSA-N 0 0 487.563 0.897 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000028333536 1070319982 /nfs/dbraw/zinc/31/99/82/1070319982.db2.gz LIRNXOCIVFAUGL-UHFFFAOYSA-N 0 0 486.579 0.906 20 30 JCEDRN Cn1c2ncn(CCC(=O)OCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000028371878 1070320688 /nfs/dbraw/zinc/32/06/88/1070320688.db2.gz JQGQUQARXFCPDD-UHFFFAOYSA-N 0 0 491.426 0.554 20 30 JCEDRN C=CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000028623801 1070329055 /nfs/dbraw/zinc/32/90/55/1070329055.db2.gz MVMMBGLRIHEHLK-UHFFFAOYSA-N 0 0 453.521 0.040 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 ZINC000028635031 1070330722 /nfs/dbraw/zinc/33/07/22/1070330722.db2.gz QSHDXMUWIURODD-UHFFFAOYSA-N 0 0 488.570 0.541 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000028636106 1070330804 /nfs/dbraw/zinc/33/08/04/1070330804.db2.gz MSMVOXXDZGIRLP-UHFFFAOYSA-N 0 0 471.564 0.626 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1=O ZINC000028664998 1070332912 /nfs/dbraw/zinc/33/29/12/1070332912.db2.gz BPNDWOYYMMNCQJ-UHFFFAOYSA-N 0 0 459.528 0.393 20 30 JCEDRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000028688293 1070334281 /nfs/dbraw/zinc/33/42/81/1070334281.db2.gz DLFDJBUQDASLBQ-QGZVFWFLSA-N 0 0 473.599 0.770 20 30 JCEDRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000028688295 1070334169 /nfs/dbraw/zinc/33/41/69/1070334169.db2.gz DLFDJBUQDASLBQ-KRWDZBQOSA-N 0 0 473.599 0.770 20 30 JCEDRN CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 ZINC000028731851 1070334850 /nfs/dbraw/zinc/33/48/50/1070334850.db2.gz APZSTQVLBUJZSQ-UHFFFAOYSA-N 0 0 450.542 0.858 20 30 JCEDRN N#Cc1ccc(N2CC[C@@H](N3CCN(S(=O)(=O)c4ccc(S(N)(=O)=O)cc4)CC3)C2=O)cc1 ZINC000028748971 1070335987 /nfs/dbraw/zinc/33/59/87/1070335987.db2.gz ZJBRDEJYZGIGNL-HXUWFJFHSA-N 0 0 489.579 0.317 20 30 JCEDRN N#Cc1ccc(N2CC[C@H](N3CCN(S(=O)(=O)c4ccc(S(N)(=O)=O)cc4)CC3)C2=O)cc1 ZINC000028748973 1070335849 /nfs/dbraw/zinc/33/58/49/1070335849.db2.gz ZJBRDEJYZGIGNL-FQEVSTJZSA-N 0 0 489.579 0.317 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n(C)c1=O ZINC000028753530 1070336717 /nfs/dbraw/zinc/33/67/17/1070336717.db2.gz ITLIYEYTTDNJCN-UHFFFAOYSA-N 0 0 450.421 0.735 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000028890037 1070341837 /nfs/dbraw/zinc/34/18/37/1070341837.db2.gz KBROCYFVULTUBZ-UHFFFAOYSA-N 0 0 477.568 0.541 20 30 JCEDRN C=CCNC(=O)CN1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000028902635 1070341754 /nfs/dbraw/zinc/34/17/54/1070341754.db2.gz UMJVBNUJJZCSQQ-UHFFFAOYSA-N 0 0 463.604 0.720 20 30 JCEDRN C=CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000028902649 1070342060 /nfs/dbraw/zinc/34/20/60/1070342060.db2.gz NLDHUCTWMVCAFA-UHFFFAOYSA-N 0 0 463.604 0.720 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@@H](O)COc2ccc(CC#N)cc2)c(=O)c1=O ZINC000028920624 1070343065 /nfs/dbraw/zinc/34/30/65/1070343065.db2.gz AUISKKDZBILCCL-QGZVFWFLSA-N 0 0 486.550 0.939 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@H](O)COc2ccc(CC#N)cc2)c(=O)c1=O ZINC000028920625 1070343235 /nfs/dbraw/zinc/34/32/35/1070343235.db2.gz AUISKKDZBILCCL-KRWDZBQOSA-N 0 0 486.550 0.939 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000028961639 1070345615 /nfs/dbraw/zinc/34/56/15/1070345615.db2.gz YWXUJRBHBDUUJC-UHFFFAOYSA-N 0 0 469.567 0.769 20 30 JCEDRN CNC(=O)c1nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c2ccccc21 ZINC000029028971 1070351252 /nfs/dbraw/zinc/35/12/52/1070351252.db2.gz WGTCSKWFTZSXOL-UHFFFAOYSA-N 0 0 466.523 0.592 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 ZINC000029069465 1070353127 /nfs/dbraw/zinc/35/31/27/1070353127.db2.gz WMIREKSHGDLPKK-UHFFFAOYSA-N 0 0 487.494 0.880 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000029074272 1070354890 /nfs/dbraw/zinc/35/48/90/1070354890.db2.gz MBOSGTVRYXQAJV-UHFFFAOYSA-N 0 0 487.494 0.880 20 30 JCEDRN CN(CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000029088019 1070360253 /nfs/dbraw/zinc/36/02/53/1070360253.db2.gz RYEHNXACUOKDDJ-UHFFFAOYSA-N 0 0 470.960 0.927 20 30 JCEDRN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029172256 1070363706 /nfs/dbraw/zinc/36/37/06/1070363706.db2.gz ITCORKYDIUKQHZ-UHFFFAOYSA-N 0 0 467.530 0.933 20 30 JCEDRN CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000029193365 1070371336 /nfs/dbraw/zinc/37/13/36/1070371336.db2.gz VPABXSCJHKVRDC-QGZVFWFLSA-N 0 0 454.574 0.499 20 30 JCEDRN CS(=O)(=O)N[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000029193368 1070371426 /nfs/dbraw/zinc/37/14/26/1070371426.db2.gz VPABXSCJHKVRDC-KRWDZBQOSA-N 0 0 454.574 0.499 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029228304 1070373184 /nfs/dbraw/zinc/37/31/84/1070373184.db2.gz TUODIGOUTHWEPN-UHFFFAOYSA-N 0 0 472.571 0.942 20 30 JCEDRN CC(C)Cn1c(N)c(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c(=O)n(C)c1=O ZINC000029243212 1070374028 /nfs/dbraw/zinc/37/40/28/1070374028.db2.gz IFZCYEYXIQXVDG-UHFFFAOYSA-N 0 0 455.519 0.527 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000029349603 1070377650 /nfs/dbraw/zinc/37/76/50/1070377650.db2.gz WKMBIRLQRRJILC-UHFFFAOYSA-N 0 0 462.509 0.584 20 30 JCEDRN N#Cc1ccnc(N2CCN(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000029445679 1070383697 /nfs/dbraw/zinc/38/36/97/1070383697.db2.gz IUUKOFROHCQQQT-QFIPXVFZSA-N 0 0 476.537 0.586 20 30 JCEDRN N#Cc1ccnc(N2CCN(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000029445683 1070383543 /nfs/dbraw/zinc/38/35/43/1070383543.db2.gz IUUKOFROHCQQQT-JOCHJYFZSA-N 0 0 476.537 0.586 20 30 JCEDRN CCCCN(C(=O)CN1CCN(c2cc(C#N)ccn2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000029446183 1070383580 /nfs/dbraw/zinc/38/35/80/1070383580.db2.gz AEVZMTUCJCQZTD-UHFFFAOYSA-N 0 0 468.562 0.751 20 30 JCEDRN N#Cc1ccnc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)CC2)c1 ZINC000029446520 1070383414 /nfs/dbraw/zinc/38/34/14/1070383414.db2.gz UXRNITMSDQBHMJ-UHFFFAOYSA-N 0 0 472.546 0.747 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(c4cc(C#N)ccn4)CC3)CC2)cc1 ZINC000029446731 1070383506 /nfs/dbraw/zinc/38/35/06/1070383506.db2.gz NQJRFZWHNZHKDM-UHFFFAOYSA-N 0 0 484.582 0.617 20 30 JCEDRN N#Cc1ccnc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1 ZINC000029446736 1070383687 /nfs/dbraw/zinc/38/36/87/1070383687.db2.gz SDSYJLZUBHQTMX-UHFFFAOYSA-N 0 0 472.546 0.747 20 30 JCEDRN N#Cc1ccnc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)c1 ZINC000029446763 1070383561 /nfs/dbraw/zinc/38/35/61/1070383561.db2.gz DWQNAUNFQHWCQV-UHFFFAOYSA-N 0 0 479.566 0.480 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c1=O ZINC000029464108 1070384149 /nfs/dbraw/zinc/38/41/49/1070384149.db2.gz PEMHYXCTNWSODS-UHFFFAOYSA-N 0 0 477.543 0.213 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(I)c2)c1=O ZINC000029464120 1070384258 /nfs/dbraw/zinc/38/42/58/1070384258.db2.gz GRZZHDXJEPWGIQ-UHFFFAOYSA-N 0 0 468.251 0.787 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1=O ZINC000029494887 1070389826 /nfs/dbraw/zinc/38/98/26/1070389826.db2.gz OPEAUWTWXDZMQC-UHFFFAOYSA-N 0 0 459.415 0.252 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1=O ZINC000029494894 1069579130 /nfs/dbraw/zinc/57/91/30/1069579130.db2.gz LGWRLFNTYADTBL-UHFFFAOYSA-N 0 0 464.526 0.722 20 30 JCEDRN Cn1c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000029532278 1070390393 /nfs/dbraw/zinc/39/03/93/1070390393.db2.gz ODOLOSPWIFPTHW-UHFFFAOYSA-N 0 0 458.327 0.773 20 30 JCEDRN CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000029591915 1070403216 /nfs/dbraw/zinc/40/32/16/1070403216.db2.gz OGUSTJPTSWMLBX-UHFFFAOYSA-N 0 0 487.563 0.845 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 ZINC000029601957 1070406463 /nfs/dbraw/zinc/40/64/63/1070406463.db2.gz ZWKUQCUHDTUGJI-UHFFFAOYSA-N 0 0 483.616 0.757 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000029660342 1070420287 /nfs/dbraw/zinc/42/02/87/1070420287.db2.gz OGGWRNKODNMZHI-UHFFFAOYSA-N 0 0 499.568 0.988 20 30 JCEDRN CN(CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000029671435 1070421829 /nfs/dbraw/zinc/42/18/29/1070421829.db2.gz FOOBOTYZNVXUTH-UHFFFAOYSA-N 0 0 470.507 0.892 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000029720650 1070425383 /nfs/dbraw/zinc/42/53/83/1070425383.db2.gz XAHUXJZOZGZYBM-KRWDZBQOSA-N 0 0 478.619 0.780 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000029720653 1070425653 /nfs/dbraw/zinc/42/56/53/1070425653.db2.gz XAHUXJZOZGZYBM-QGZVFWFLSA-N 0 0 478.619 0.780 20 30 JCEDRN COc1cc(OC)cc(C(=O)N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)c1 ZINC000029721106 1070425569 /nfs/dbraw/zinc/42/55/69/1070425569.db2.gz FLQKJNUGOQDIDP-UHFFFAOYSA-N 0 0 482.541 0.979 20 30 JCEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000029779753 1070430259 /nfs/dbraw/zinc/43/02/59/1070430259.db2.gz HVQLGCDFDCWFGN-SFHVURJKSA-N 0 0 473.486 0.790 20 30 JCEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000029779754 1070430316 /nfs/dbraw/zinc/43/03/16/1070430316.db2.gz HVQLGCDFDCWFGN-GOSISDBHSA-N 0 0 473.486 0.790 20 30 JCEDRN COc1ccccc1C(=O)N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000029838465 1067789144 /nfs/dbraw/zinc/78/91/44/1067789144.db2.gz UVUCUKOQAMZYJD-UHFFFAOYSA-N 0 0 452.515 0.970 20 30 JCEDRN CCN(CC)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000029916599 1067797648 /nfs/dbraw/zinc/79/76/48/1067797648.db2.gz POWBXVPHZAFGGY-UHFFFAOYSA-N 0 0 476.603 0.471 20 30 JCEDRN CCCS(=O)(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000030134168 1067800892 /nfs/dbraw/zinc/80/08/92/1067800892.db2.gz MCQPZXJJPXCUAI-UHFFFAOYSA-N 0 0 497.643 0.185 20 30 JCEDRN CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000030500049 1067806601 /nfs/dbraw/zinc/80/66/01/1067806601.db2.gz WCTMTVNSXIZZSN-UHFFFAOYSA-N 0 0 462.553 0.890 20 30 JCEDRN CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 ZINC000030500053 1067806378 /nfs/dbraw/zinc/80/63/78/1067806378.db2.gz DMAXNOFBTPNXAF-UHFFFAOYSA-N 0 0 468.582 0.951 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000030547864 1067807527 /nfs/dbraw/zinc/80/75/27/1067807527.db2.gz CULJZVMNQFFINM-UHFFFAOYSA-N 0 0 480.554 0.745 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)cc1 ZINC000030568022 1067808023 /nfs/dbraw/zinc/80/80/23/1067808023.db2.gz XDUCFQPHFWHHKX-UHFFFAOYSA-N 0 0 480.554 0.745 20 30 JCEDRN COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000030568073 1067807978 /nfs/dbraw/zinc/80/79/78/1067807978.db2.gz VRKMMHYMBLYITH-UHFFFAOYSA-N 0 0 492.579 0.630 20 30 JCEDRN Cn1c(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C#N)c(=O)n(C)c1=O ZINC000030617236 1067810552 /nfs/dbraw/zinc/81/05/52/1067810552.db2.gz OBXXLHPBWRXBQI-UHFFFAOYSA-N 0 0 458.327 0.773 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000030645908 1067811540 /nfs/dbraw/zinc/81/15/40/1067811540.db2.gz NGDVVFYGHWDBIG-UHFFFAOYSA-N 0 0 457.560 0.611 20 30 JCEDRN Cc1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n2ncnc2n1 ZINC000030659274 1067811868 /nfs/dbraw/zinc/81/18/68/1067811868.db2.gz LMBAKDMSZBDFPK-UHFFFAOYSA-N 0 0 454.516 0.587 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000030664661 1067812076 /nfs/dbraw/zinc/81/20/76/1067812076.db2.gz NWEYWQPDQNAEKJ-IAGOWNOFSA-N 0 0 486.616 0.263 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000030664664 1067811955 /nfs/dbraw/zinc/81/19/55/1067811955.db2.gz NWEYWQPDQNAEKJ-CALCHBBNSA-N 0 0 486.616 0.263 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000030664668 1067812015 /nfs/dbraw/zinc/81/20/15/1067812015.db2.gz NWEYWQPDQNAEKJ-IRXDYDNUSA-N 0 0 486.616 0.263 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000030686091 1067813570 /nfs/dbraw/zinc/81/35/70/1067813570.db2.gz FMJFMFRQRPHHPX-UHFFFAOYSA-N 0 0 490.293 0.827 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n(C)c1=O ZINC000030762324 1067814685 /nfs/dbraw/zinc/81/46/85/1067814685.db2.gz FHBOYMKNFLMJLE-UHFFFAOYSA-N 0 0 474.362 0.291 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)n(C)c1=O ZINC000030763409 1067814529 /nfs/dbraw/zinc/81/45/29/1067814529.db2.gz FYWYMBPAFNLNSK-UHFFFAOYSA-N 0 0 453.890 0.482 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000030916911 1067817561 /nfs/dbraw/zinc/81/75/61/1067817561.db2.gz XPWWETKRQWGSIL-UHFFFAOYSA-N 0 0 481.556 0.630 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000030917454 1067817502 /nfs/dbraw/zinc/81/75/02/1067817502.db2.gz PJZMIXGBYCTLOB-UHFFFAOYSA-N 0 0 481.556 0.317 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)CC1 ZINC000030936279 1067818031 /nfs/dbraw/zinc/81/80/31/1067818031.db2.gz YIQFEMBKQDETAJ-UHFFFAOYSA-N 0 0 482.566 0.768 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 ZINC000030937579 1067817825 /nfs/dbraw/zinc/81/78/25/1067817825.db2.gz FUHJFXACHWYRSM-UHFFFAOYSA-N 0 0 482.566 0.768 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1 ZINC000030938663 1067818002 /nfs/dbraw/zinc/81/80/02/1067818002.db2.gz CWLPUFAGANVGIZ-UHFFFAOYSA-N 0 0 496.593 0.915 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000030938825 1067817898 /nfs/dbraw/zinc/81/78/98/1067817898.db2.gz VRGLEDCEZQYQTL-LJQANCHMSA-N 0 0 491.595 0.384 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000030938828 1067818092 /nfs/dbraw/zinc/81/80/92/1067818092.db2.gz VRGLEDCEZQYQTL-IBGZPJMESA-N 0 0 491.595 0.384 20 30 JCEDRN COc1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000030939892 1067817795 /nfs/dbraw/zinc/81/77/95/1067817795.db2.gz YLNUBPVEWKZDOB-UHFFFAOYSA-N 0 0 471.539 0.945 20 30 JCEDRN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OC ZINC000030942753 1067818506 /nfs/dbraw/zinc/81/85/06/1067818506.db2.gz LKQXLUYEGQXKFP-UHFFFAOYSA-N 0 0 459.528 0.988 20 30 JCEDRN C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000030956613 1067818439 /nfs/dbraw/zinc/81/84/39/1067818439.db2.gz AHYCIYBOSGNWJK-UHFFFAOYSA-N 0 0 453.521 0.040 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)c1 ZINC000031079387 1067819978 /nfs/dbraw/zinc/81/99/78/1067819978.db2.gz APIFUISRQUYTTG-UHFFFAOYSA-N 0 0 456.528 0.400 20 30 JCEDRN COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000031079700 1067820085 /nfs/dbraw/zinc/82/00/85/1067820085.db2.gz NSQLNNWMCUMHMM-IBGZPJMESA-N 0 0 485.566 0.844 20 30 JCEDRN COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000031079703 1067820098 /nfs/dbraw/zinc/82/00/98/1067820098.db2.gz NSQLNNWMCUMHMM-LJQANCHMSA-N 0 0 485.566 0.844 20 30 JCEDRN Cn1c2ncn(CCC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)c2c(=O)n(C)c1=O ZINC000031118604 1067820066 /nfs/dbraw/zinc/82/00/66/1067820066.db2.gz UYQRGGQCPBMSME-UHFFFAOYSA-N 0 0 493.503 0.351 20 30 JCEDRN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000031138836 1067820649 /nfs/dbraw/zinc/82/06/49/1067820649.db2.gz AOCLBTLAWJYUQA-UHFFFAOYSA-N 0 0 477.568 0.682 20 30 JCEDRN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000031138901 1067820644 /nfs/dbraw/zinc/82/06/44/1067820644.db2.gz HPFKLQMAOFIJDC-UHFFFAOYSA-N 0 0 477.568 0.682 20 30 JCEDRN CCCNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000031159629 1067820592 /nfs/dbraw/zinc/82/05/92/1067820592.db2.gz XRPOFJRDVXVPRW-UHFFFAOYSA-N 0 0 476.603 0.565 20 30 JCEDRN CCCNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000031159733 1067820535 /nfs/dbraw/zinc/82/05/35/1067820535.db2.gz PAFYWNWEYDYUDW-UHFFFAOYSA-N 0 0 476.603 0.565 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000031166212 1067821028 /nfs/dbraw/zinc/82/10/28/1067821028.db2.gz CMDHADOXNGIKCY-NRFANRHFSA-N 0 0 479.628 0.782 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000031166216 1067820846 /nfs/dbraw/zinc/82/08/46/1067820846.db2.gz CMDHADOXNGIKCY-OAQYLSRUSA-N 0 0 479.628 0.782 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)cc1 ZINC000031166325 1067821217 /nfs/dbraw/zinc/82/12/17/1067821217.db2.gz WIODPONRCVHLHR-NRFANRHFSA-N 0 0 479.628 0.782 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)cc1 ZINC000031166329 1067821056 /nfs/dbraw/zinc/82/10/56/1067821056.db2.gz WIODPONRCVHLHR-OAQYLSRUSA-N 0 0 479.628 0.782 20 30 JCEDRN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000031211106 1067821916 /nfs/dbraw/zinc/82/19/16/1067821916.db2.gz RHNVAKNLPJLDPW-GOSISDBHSA-N 0 0 461.588 0.724 20 30 JCEDRN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000031211111 1067822043 /nfs/dbraw/zinc/82/20/43/1067822043.db2.gz RHNVAKNLPJLDPW-SFHVURJKSA-N 0 0 461.588 0.724 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCCNS(C)(=O)=O)n2c2ccccc2c1=O ZINC000031219205 1067822242 /nfs/dbraw/zinc/82/22/42/1067822242.db2.gz QIARLKUNCWNAFL-UHFFFAOYSA-N 0 0 450.546 0.378 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 ZINC000031220927 1067822206 /nfs/dbraw/zinc/82/22/06/1067822206.db2.gz MYSWKRJIRLLMCS-GOSISDBHSA-N 0 0 453.524 0.835 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 ZINC000031220930 1067822306 /nfs/dbraw/zinc/82/23/06/1067822306.db2.gz MYSWKRJIRLLMCS-SFHVURJKSA-N 0 0 453.524 0.835 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCNS(=O)(=O)CC)n2c2ccccc2c1=O ZINC000031221066 1067822339 /nfs/dbraw/zinc/82/23/39/1067822339.db2.gz WQEPVPCATHOGEJ-UHFFFAOYSA-N 0 0 450.546 0.378 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)ccc1F ZINC000031223010 1070216385 /nfs/dbraw/zinc/21/63/85/1070216385.db2.gz UWXSTKQDZMKHCM-LLVKDONJSA-N 0 0 455.464 0.965 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)ccc1F ZINC000031223013 1070216471 /nfs/dbraw/zinc/21/64/71/1070216471.db2.gz UWXSTKQDZMKHCM-NSHDSACASA-N 0 0 455.464 0.965 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000031294728 1067824157 /nfs/dbraw/zinc/82/41/57/1067824157.db2.gz HIRAINBUSUVRBC-UHFFFAOYSA-N 0 0 471.539 0.442 20 30 JCEDRN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000031294960 1067824228 /nfs/dbraw/zinc/82/42/28/1067824228.db2.gz WKASFXPKAWHXJI-GOSISDBHSA-N 0 0 485.566 0.831 20 30 JCEDRN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000031294962 1067824220 /nfs/dbraw/zinc/82/42/20/1067824220.db2.gz WKASFXPKAWHXJI-SFHVURJKSA-N 0 0 485.566 0.831 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000031295133 1067823973 /nfs/dbraw/zinc/82/39/73/1067823973.db2.gz TZVLSUNCZIKTQT-UHFFFAOYSA-N 0 0 473.530 0.912 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000031295325 1067824086 /nfs/dbraw/zinc/82/40/86/1067824086.db2.gz LIXPUBXMDXIXQX-UHFFFAOYSA-N 0 0 477.568 0.541 20 30 JCEDRN CCCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000031295854 1067824133 /nfs/dbraw/zinc/82/41/33/1067824133.db2.gz SUBISGBPEQKVIR-IEBWSBKVSA-N 0 0 482.628 0.679 20 30 JCEDRN CCCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000031295856 1067824002 /nfs/dbraw/zinc/82/40/02/1067824002.db2.gz SUBISGBPEQKVIR-MJGOQNOKSA-N 0 0 482.628 0.679 20 30 JCEDRN CCCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000031295858 1067824215 /nfs/dbraw/zinc/82/42/15/1067824215.db2.gz SUBISGBPEQKVIR-PKOBYXMFSA-N 0 0 482.628 0.679 20 30 JCEDRN CCCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000031295860 1067824125 /nfs/dbraw/zinc/82/41/25/1067824125.db2.gz SUBISGBPEQKVIR-HKUYNNGSSA-N 0 0 482.628 0.679 20 30 JCEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000031400041 1067825331 /nfs/dbraw/zinc/82/53/31/1067825331.db2.gz KKKSVYNMJXSYDS-UHFFFAOYSA-N 0 0 471.514 0.780 20 30 JCEDRN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000031526198 1067828788 /nfs/dbraw/zinc/82/87/88/1067828788.db2.gz CZEUNJKIWASVCF-UHFFFAOYSA-N 0 0 451.530 0.283 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)CC2)o1 ZINC000031529632 1067828519 /nfs/dbraw/zinc/82/85/19/1067828519.db2.gz GFPBURQMELJXLC-UHFFFAOYSA-N 0 0 460.516 0.150 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)o1 ZINC000031529810 1067828722 /nfs/dbraw/zinc/82/87/22/1067828722.db2.gz JGXLYKQUVIAGGL-UHFFFAOYSA-N 0 0 492.583 0.712 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000031534910 1067828544 /nfs/dbraw/zinc/82/85/44/1067828544.db2.gz WXTMSRFQUGSSQI-UHFFFAOYSA-N 0 0 462.553 0.712 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@@H](O)COc2ccc(C#N)cc2)c(=O)c1=O ZINC000031560918 1067829445 /nfs/dbraw/zinc/82/94/45/1067829445.db2.gz RTYHIWZAFXDNHS-MRXNPFEDSA-N 0 0 472.523 0.745 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@H](O)COc2ccc(C#N)cc2)c(=O)c1=O ZINC000031560920 1067829569 /nfs/dbraw/zinc/82/95/69/1067829569.db2.gz RTYHIWZAFXDNHS-INIZCTEOSA-N 0 0 472.523 0.745 20 30 JCEDRN C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000031581143 1067830196 /nfs/dbraw/zinc/83/01/96/1067830196.db2.gz GVRGCLGUHISUBM-UHFFFAOYSA-N 0 0 451.368 0.829 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000031603848 1067830628 /nfs/dbraw/zinc/83/06/28/1067830628.db2.gz TVKVVVJJFKABMK-UHFFFAOYSA-N 0 0 456.528 0.929 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3cc(F)ccc3c2=O)CC1 ZINC000031694081 1067833639 /nfs/dbraw/zinc/83/36/39/1067833639.db2.gz CAVNWLPNQYEPHV-UHFFFAOYSA-N 0 0 455.471 0.940 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)cc1 ZINC000031718581 1067834210 /nfs/dbraw/zinc/83/42/10/1067834210.db2.gz KSLWNAKWIYGHSP-UHFFFAOYSA-N 0 0 468.539 0.929 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1=O ZINC000031751498 1067836085 /nfs/dbraw/zinc/83/60/85/1067836085.db2.gz RZLYXSYWWDDMGM-UHFFFAOYSA-N 0 0 460.512 0.909 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1=O ZINC000031751531 1067835784 /nfs/dbraw/zinc/83/57/84/1067835784.db2.gz LOSQQRJKALWFOD-UHFFFAOYSA-N 0 0 452.475 0.083 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)c1=O ZINC000031751601 1067835727 /nfs/dbraw/zinc/83/57/27/1067835727.db2.gz ZLUHIGKXMAKTQR-UHFFFAOYSA-N 0 0 488.570 0.602 20 30 JCEDRN CCn1c(Cn2c(=O)c(C#N)cn(CC)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000031794615 1067837930 /nfs/dbraw/zinc/83/79/30/1067837930.db2.gz NSZVFRSSPXKAON-UHFFFAOYSA-N 0 0 472.527 0.340 20 30 JCEDRN CCCn1c(Cn2c(=O)c(C#N)cn(CC)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000031794659 1067838010 /nfs/dbraw/zinc/83/80/10/1067838010.db2.gz KNOFHBYYKHSZCX-UHFFFAOYSA-N 0 0 486.554 0.730 20 30 JCEDRN CCCCn1c(Cn2c(=O)c(C#N)cn(CC)c2=O)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000031794730 1069560926 /nfs/dbraw/zinc/56/09/26/1069560926.db2.gz CFAGIGWVKVRQEB-UHFFFAOYSA-N 0 0 475.509 0.998 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 ZINC000031805694 1067837995 /nfs/dbraw/zinc/83/79/95/1067837995.db2.gz YROPEQCNOLUHGC-UHFFFAOYSA-N 0 0 472.502 0.284 20 30 JCEDRN CCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000031805714 1067837985 /nfs/dbraw/zinc/83/79/85/1067837985.db2.gz NMMZQJSRJAMWIJ-UHFFFAOYSA-N 0 0 478.465 0.040 20 30 JCEDRN CCCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000031805718 1067838034 /nfs/dbraw/zinc/83/80/34/1067838034.db2.gz CZNXJRWZCJNLFS-UHFFFAOYSA-N 0 0 492.492 0.430 20 30 JCEDRN CCCCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000031805735 1067838330 /nfs/dbraw/zinc/83/83/30/1067838330.db2.gz QCBPSEZSVOUBQC-UHFFFAOYSA-N 0 0 472.502 0.428 20 30 JCEDRN CCCCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000031805828 1067838286 /nfs/dbraw/zinc/83/82/86/1067838286.db2.gz DGBVCVXOWHXJMQ-UHFFFAOYSA-N 0 0 458.475 0.182 20 30 JCEDRN CCn1c(Cn2cc(C(=O)OC)cc(C#N)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000031806043 1067838367 /nfs/dbraw/zinc/83/83/67/1067838367.db2.gz MAVCDBZNENLTHX-UHFFFAOYSA-N 0 0 485.522 0.945 20 30 JCEDRN CCn1c(=O)c(C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)c(N)n(Cc2ccccc2)c1=O ZINC000031806296 1067838413 /nfs/dbraw/zinc/83/84/13/1067838413.db2.gz HQVYQYWXYSBPAJ-UHFFFAOYSA-N 0 0 463.450 0.363 20 30 JCEDRN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(Cn3cc(C(=O)OC)cc(C#N)c3=O)nc(=O)c12 ZINC000031806440 1067838534 /nfs/dbraw/zinc/83/85/34/1067838534.db2.gz RAGGSQHBJBXMCI-UHFFFAOYSA-N 0 0 472.435 0.355 20 30 JCEDRN CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)CC1 ZINC000031806619 1067838281 /nfs/dbraw/zinc/83/82/81/1067838281.db2.gz JHNAFSHMBOMTBL-UHFFFAOYSA-N 0 0 465.510 0.852 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000031806625 1067838274 /nfs/dbraw/zinc/83/82/74/1067838274.db2.gz VWWFLVXZUZPXCJ-UHFFFAOYSA-N 0 0 455.446 0.429 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000031806633 1067838552 /nfs/dbraw/zinc/83/85/52/1067838552.db2.gz VUKSKVYHOUWVJE-UHFFFAOYSA-N 0 0 465.510 0.906 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c1 ZINC000031807090 1067838268 /nfs/dbraw/zinc/83/82/68/1067838268.db2.gz GXCJZRSGJVEYOH-UHFFFAOYSA-N 0 0 486.506 0.242 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000031917056 1067841730 /nfs/dbraw/zinc/84/17/30/1067841730.db2.gz DXEQXFKMLWEZRW-UHFFFAOYSA-N 0 0 462.532 0.396 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000031917350 1067841757 /nfs/dbraw/zinc/84/17/57/1067841757.db2.gz GVFFJWJKYCYDST-UHFFFAOYSA-N 0 0 486.510 0.567 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(CCC(N)=O)n3CC(C)C)CC2)o1 ZINC000031917493 1067841589 /nfs/dbraw/zinc/84/15/89/1067841589.db2.gz GLWCKXLSIUDPKY-UHFFFAOYSA-N 0 0 460.564 0.961 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000031917644 1067842156 /nfs/dbraw/zinc/84/21/56/1067842156.db2.gz UKZWNBCUYSWBQP-UHFFFAOYSA-N 0 0 462.422 0.975 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000032274958 1067952197 /nfs/dbraw/zinc/95/21/97/1067952197.db2.gz MIOBWHZJRCEQCX-QZTJIDSGSA-N 0 0 464.588 0.545 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000032274960 1067952155 /nfs/dbraw/zinc/95/21/55/1067952155.db2.gz MIOBWHZJRCEQCX-HDICACEKSA-N 0 0 464.588 0.545 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000032274964 1067952175 /nfs/dbraw/zinc/95/21/75/1067952175.db2.gz MIOBWHZJRCEQCX-ROUUACIJSA-N 0 0 464.588 0.545 20 30 JCEDRN CN(CC(=O)NCCCN1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000032334156 1067960913 /nfs/dbraw/zinc/96/09/13/1067960913.db2.gz ZBCOIWTZMNGMLU-UHFFFAOYSA-N 0 0 457.560 0.297 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000032355052 1067964013 /nfs/dbraw/zinc/96/40/13/1067964013.db2.gz XCGDUGUXLGKKHR-UHFFFAOYSA-N 0 0 475.259 0.768 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000032684284 1068074517 /nfs/dbraw/zinc/07/45/17/1068074517.db2.gz VWYBKJBHTTVTJK-UHFFFAOYSA-N 0 0 454.555 0.343 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000032684294 1068075208 /nfs/dbraw/zinc/07/52/08/1068075208.db2.gz ARWYYZBSBJDIEB-UHFFFAOYSA-N 0 0 454.555 0.431 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000032684352 1068074622 /nfs/dbraw/zinc/07/46/22/1068074622.db2.gz CHQZDTSVHRNJDL-UHFFFAOYSA-N 0 0 453.480 0.095 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000032717812 1068078630 /nfs/dbraw/zinc/07/86/30/1068078630.db2.gz UXOYLACWPTWCCS-UHFFFAOYSA-N 0 0 493.611 0.428 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000032717816 1068078862 /nfs/dbraw/zinc/07/88/62/1068078862.db2.gz KKQMJHBRPZWFFV-UHFFFAOYSA-N 0 0 493.611 0.428 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000032718262 1068078723 /nfs/dbraw/zinc/07/87/23/1068078723.db2.gz VXPYFSBMOGYXAI-UHFFFAOYSA-N 0 0 496.597 0.814 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)cc1 ZINC000032766861 1068090581 /nfs/dbraw/zinc/09/05/81/1068090581.db2.gz AFGNIWYYRDTURR-UHFFFAOYSA-N 0 0 454.555 0.343 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)cc1 ZINC000032766866 1068090466 /nfs/dbraw/zinc/09/04/66/1068090466.db2.gz ZFWSESIIMVYAFR-UHFFFAOYSA-N 0 0 454.555 0.431 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 ZINC000032766892 1068090372 /nfs/dbraw/zinc/09/03/72/1068090372.db2.gz XAZVJEKQYAGOKL-UHFFFAOYSA-N 0 0 453.480 0.095 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000032826633 1068098145 /nfs/dbraw/zinc/09/81/45/1068098145.db2.gz ONSYNVADVJRZMT-UHFFFAOYSA-N 0 0 462.348 0.996 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000032826652 1068097999 /nfs/dbraw/zinc/09/79/99/1068097999.db2.gz OLWNJLIHUIJJKT-UHFFFAOYSA-N 0 0 463.332 0.882 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000032832632 1068096030 /nfs/dbraw/zinc/09/60/30/1068096030.db2.gz AJRQJDAOTIVOCS-IBGZPJMESA-N 0 0 453.521 0.964 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000032832635 1068096263 /nfs/dbraw/zinc/09/62/63/1068096263.db2.gz AJRQJDAOTIVOCS-LJQANCHMSA-N 0 0 453.521 0.964 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000032832638 1068095995 /nfs/dbraw/zinc/09/59/95/1068095995.db2.gz WTPJZJGTXMAJKD-IBGZPJMESA-N 0 0 451.505 0.718 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000032832641 1068095894 /nfs/dbraw/zinc/09/58/94/1068095894.db2.gz WTPJZJGTXMAJKD-LJQANCHMSA-N 0 0 451.505 0.718 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000033022443 1068140010 /nfs/dbraw/zinc/14/00/10/1068140010.db2.gz NHFKQJAUQINOKA-UHFFFAOYSA-N 0 0 472.303 0.688 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000033023889 1068141882 /nfs/dbraw/zinc/14/18/82/1068141882.db2.gz CKGQJXQVYIMDCD-DOTOQJQBSA-N 0 0 470.555 0.411 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000033023892 1068141870 /nfs/dbraw/zinc/14/18/70/1068141870.db2.gz CKGQJXQVYIMDCD-NVXWUHKLSA-N 0 0 470.555 0.411 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000033023896 1068141832 /nfs/dbraw/zinc/14/18/32/1068141832.db2.gz CKGQJXQVYIMDCD-RDJZCZTQSA-N 0 0 470.555 0.411 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000033023899 1068141737 /nfs/dbraw/zinc/14/17/37/1068141737.db2.gz CKGQJXQVYIMDCD-WBVHZDCISA-N 0 0 470.555 0.411 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000033090163 1068172231 /nfs/dbraw/zinc/17/22/31/1068172231.db2.gz AVEGSWLUPGQCFS-UHFFFAOYSA-N 0 0 450.542 0.693 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000033090217 1068172381 /nfs/dbraw/zinc/17/23/81/1068172381.db2.gz PQFFLTIFOCYNCI-UHFFFAOYSA-N 0 0 463.541 0.420 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000033090865 1068172342 /nfs/dbraw/zinc/17/23/42/1068172342.db2.gz BCZXPNGHNGCPAG-UHFFFAOYSA-N 0 0 463.541 0.107 20 30 JCEDRN Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnc1N1CCOCC1 ZINC000033142179 1068179705 /nfs/dbraw/zinc/17/97/05/1068179705.db2.gz VVOIHMCIDYFDPY-UHFFFAOYSA-N 0 0 491.599 0.149 20 30 JCEDRN Cn1c2ncn(CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)c2c(=O)n(C)c1=O ZINC000033144000 1068179728 /nfs/dbraw/zinc/17/97/28/1068179728.db2.gz WWBAGBVPIFTUAP-AWEZNQCLSA-N 0 0 465.514 0.803 20 30 JCEDRN Cn1c2ncn(CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)c2c(=O)n(C)c1=O ZINC000033144001 1068179458 /nfs/dbraw/zinc/17/94/58/1068179458.db2.gz WWBAGBVPIFTUAP-CQSZACIVSA-N 0 0 465.514 0.803 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O ZINC000033144484 1068179593 /nfs/dbraw/zinc/17/95/93/1068179593.db2.gz DCPIRKNSQDJYHW-KRWDZBQOSA-N 0 0 494.552 0.913 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O ZINC000033144485 1068179518 /nfs/dbraw/zinc/17/95/18/1068179518.db2.gz DCPIRKNSQDJYHW-QGZVFWFLSA-N 0 0 494.552 0.913 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000033233803 1068207194 /nfs/dbraw/zinc/20/71/94/1068207194.db2.gz YRPWDQNFJDJPAP-UHFFFAOYSA-N 0 0 493.586 0.750 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)CC1 ZINC000033233810 1068206486 /nfs/dbraw/zinc/20/64/86/1068206486.db2.gz UWPBSIAOMRWPDL-UHFFFAOYSA-N 0 0 464.588 0.976 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000033233811 1068207711 /nfs/dbraw/zinc/20/77/11/1068207711.db2.gz XVFSEQBESMBMKG-UHFFFAOYSA-N 0 0 452.552 0.673 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000033233812 1068206615 /nfs/dbraw/zinc/20/66/15/1068206615.db2.gz KGYWKFSKIQJXEC-UHFFFAOYSA-N 0 0 492.598 0.305 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 ZINC000033233814 1068207734 /nfs/dbraw/zinc/20/77/34/1068207734.db2.gz LVPFZHQWLSAOQF-UHFFFAOYSA-N 0 0 492.598 0.320 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 ZINC000033233823 1068206638 /nfs/dbraw/zinc/20/66/38/1068206638.db2.gz RSTUUJGAHYZJKH-UHFFFAOYSA-N 0 0 478.615 0.932 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000033233825 1068206627 /nfs/dbraw/zinc/20/66/27/1068206627.db2.gz LLINZTKSCJNTGN-UHFFFAOYSA-N 0 0 470.542 0.812 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 ZINC000033233827 1068206495 /nfs/dbraw/zinc/20/64/95/1068206495.db2.gz KUTBMJJKPVIHOU-UHFFFAOYSA-N 0 0 494.614 0.551 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000033233831 1068207741 /nfs/dbraw/zinc/20/77/41/1068207741.db2.gz PHGYTEBEOLRJKB-UHFFFAOYSA-N 0 0 470.542 0.812 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000033233838 1068207128 /nfs/dbraw/zinc/20/71/28/1068207128.db2.gz DUFUXAVIMPHJHS-UHFFFAOYSA-N 0 0 459.572 0.405 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)n2c2ccccc2c1=O ZINC000036820992 1068223575 /nfs/dbraw/zinc/22/35/75/1068223575.db2.gz VZQWHJBQLKUHAG-UHFFFAOYSA-N 0 0 491.599 0.273 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1=O ZINC000045399122 1070527688 /nfs/dbraw/zinc/52/76/88/1070527688.db2.gz KVUCFVUUZHPXIN-QGZVFWFLSA-N 0 0 454.483 0.679 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1=O ZINC000045399124 1070528021 /nfs/dbraw/zinc/52/80/21/1070528021.db2.gz KVUCFVUUZHPXIN-KRWDZBQOSA-N 0 0 454.483 0.679 20 30 JCEDRN O=C(COC(=O)c1sccc1-n1cnnn1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000046766769 1070740883 /nfs/dbraw/zinc/74/08/83/1070740883.db2.gz ZJGJUBDKQVZUHY-UHFFFAOYSA-N 0 0 475.512 0.990 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000046899133 1068002842 /nfs/dbraw/zinc/00/28/42/1068002842.db2.gz YAYNWWGCDIXKCV-UHFFFAOYSA-N 0 0 492.535 0.914 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000046917652 1070744364 /nfs/dbraw/zinc/74/43/64/1070744364.db2.gz CZCCTNLGAOLNFM-UHFFFAOYSA-N 0 0 472.548 0.878 20 30 JCEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)o1 ZINC000059363957 1070734122 /nfs/dbraw/zinc/73/41/22/1070734122.db2.gz IMONBFUKZYHPQZ-UHFFFAOYSA-N 0 0 452.467 0.873 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)cc1 ZINC000059367876 1070734032 /nfs/dbraw/zinc/73/40/32/1070734032.db2.gz HTFWQBDAQLIJEQ-UHFFFAOYSA-N 0 0 468.583 0.917 20 30 JCEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 ZINC000059385358 1070734661 /nfs/dbraw/zinc/73/46/61/1070734661.db2.gz BIEHBJSUAJWAPV-UHFFFAOYSA-N 0 0 462.620 0.660 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000060107148 1067651100 /nfs/dbraw/zinc/65/11/00/1067651100.db2.gz MWXTXMOGNDWMLW-UHFFFAOYSA-N 0 0 453.480 0.908 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000060131350 1070064245 /nfs/dbraw/zinc/06/42/45/1070064245.db2.gz IXNWPJAQVJJODL-UHFFFAOYSA-N 0 0 468.513 0.767 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1=O ZINC000060211501 1067655723 /nfs/dbraw/zinc/65/57/23/1067655723.db2.gz NRGOOEMEZYSYOV-UHFFFAOYSA-N 0 0 459.934 0.542 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)onc2-c2cccs2)CC1 ZINC000060212787 1067655591 /nfs/dbraw/zinc/65/55/91/1067655591.db2.gz WEUSETIZRAMVBM-UHFFFAOYSA-N 0 0 459.509 0.970 20 30 JCEDRN COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C(N)=O)c1 ZINC000060271608 1067655852 /nfs/dbraw/zinc/65/58/52/1067655852.db2.gz WXVVFPKXICNHIX-UHFFFAOYSA-N 0 0 458.496 0.578 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)onc2-c2ccccn2)CC1 ZINC000060330768 1067656467 /nfs/dbraw/zinc/65/64/67/1067656467.db2.gz VWAYGRSCRCMVHV-UHFFFAOYSA-N 0 0 454.468 0.303 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC1 ZINC000060350387 1067657082 /nfs/dbraw/zinc/65/70/82/1067657082.db2.gz NTSVJEIKLRVLOY-UHFFFAOYSA-N 0 0 471.539 0.502 20 30 JCEDRN Cc1ccnc(NC(=O)CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000060363308 1067657282 /nfs/dbraw/zinc/65/72/82/1067657282.db2.gz GRGLDLMBOVCMDL-UHFFFAOYSA-N 0 0 470.555 0.665 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000068793256 1069061808 /nfs/dbraw/zinc/06/18/08/1069061808.db2.gz MPWKEZPJWBKJHI-UHFFFAOYSA-N 0 0 487.538 0.515 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000068793277 1069061868 /nfs/dbraw/zinc/06/18/68/1069061868.db2.gz QFPZVJJSFXQONV-UHFFFAOYSA-N 0 0 483.304 0.959 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000069643439 1069145395 /nfs/dbraw/zinc/14/53/95/1069145395.db2.gz UISPRBYQRTWFCT-UHFFFAOYSA-N 0 0 481.538 0.910 20 30 JCEDRN Cn1c2c(nc(Br)n2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c(=O)n(C)c1=O ZINC000072033982 1069218847 /nfs/dbraw/zinc/21/88/47/1069218847.db2.gz WNKFPLUIYFPZAV-UHFFFAOYSA-N 0 0 483.286 0.892 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000104526053 1069750615 /nfs/dbraw/zinc/75/06/15/1069750615.db2.gz DTBDCDHHGYBSGF-UHFFFAOYSA-N 0 0 450.473 0.325 20 30 JCEDRN O=C(COC(=O)CN1C(=O)CCC1=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000104599742 1067803661 /nfs/dbraw/zinc/80/36/61/1067803661.db2.gz HPVDKIBPJHVPMM-UHFFFAOYSA-N 0 0 464.500 0.568 20 30 JCEDRN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000104804731 1068043217 /nfs/dbraw/zinc/04/32/17/1068043217.db2.gz YVFXRKHXVMBLBA-INIZCTEOSA-N 0 0 474.630 0.452 20 30 JCEDRN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000104804733 1068043080 /nfs/dbraw/zinc/04/30/80/1068043080.db2.gz YVFXRKHXVMBLBA-MRXNPFEDSA-N 0 0 474.630 0.452 20 30 JCEDRN CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2C1=O ZINC000104868086 1068046062 /nfs/dbraw/zinc/04/60/62/1068046062.db2.gz RBHSJMOVOPCZRO-UHFFFAOYSA-N 0 0 470.463 0.900 20 30 JCEDRN COCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000104890499 1067804333 /nfs/dbraw/zinc/80/43/33/1067804333.db2.gz MQYAJZIJPFIDDB-UHFFFAOYSA-N 0 0 458.519 0.564 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1 ZINC000104972404 1068049264 /nfs/dbraw/zinc/04/92/64/1068049264.db2.gz VBPCUOORYAMKOH-UHFFFAOYSA-N 0 0 456.311 0.955 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)CC1 ZINC000104976005 1068049652 /nfs/dbraw/zinc/04/96/52/1068049652.db2.gz KYWDQNSFONQYPZ-UHFFFAOYSA-N 0 0 482.478 0.709 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000104983078 1068049885 /nfs/dbraw/zinc/04/98/85/1068049885.db2.gz BCEFRNPTOCKJKI-INIZCTEOSA-N 0 0 492.583 0.247 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)CC1 ZINC000104983082 1068049606 /nfs/dbraw/zinc/04/96/06/1068049606.db2.gz BCEFRNPTOCKJKI-MRXNPFEDSA-N 0 0 492.583 0.247 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O ZINC000104986120 1067968938 /nfs/dbraw/zinc/96/89/38/1067968938.db2.gz BOLCPMJZHAIIMG-UHFFFAOYSA-N 0 0 479.459 0.911 20 30 JCEDRN CCCCn1c2nc(COC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)n(C)c2c(=O)[nH]c1=O ZINC000104990892 1069820725 /nfs/dbraw/zinc/82/07/25/1069820725.db2.gz PRZCDBIXKLBBJG-UHFFFAOYSA-N 0 0 488.526 0.772 20 30 JCEDRN CS(=O)(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000104993468 1068050286 /nfs/dbraw/zinc/05/02/86/1068050286.db2.gz TZGKQGZDUZQENB-UHFFFAOYSA-N 0 0 463.537 0.874 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)CC1 ZINC000105027900 1069831817 /nfs/dbraw/zinc/83/18/17/1069831817.db2.gz YUMRMVOIUZAMMX-FQEVSTJZSA-N 0 0 467.551 0.303 20 30 JCEDRN Cc1cc(CN2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)no1 ZINC000105036479 1068050520 /nfs/dbraw/zinc/05/05/20/1068050520.db2.gz VXDCILQFKUDLKH-UHFFFAOYSA-N 0 0 472.571 0.505 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000105048326 1069898232 /nfs/dbraw/zinc/89/82/32/1069898232.db2.gz VQGJQTFGZMAEIO-FQEVSTJZSA-N 0 0 460.556 0.809 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 ZINC000105048329 1069898021 /nfs/dbraw/zinc/89/80/21/1069898021.db2.gz VQGJQTFGZMAEIO-HXUWFJFHSA-N 0 0 460.556 0.809 20 30 JCEDRN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000105053192 1069901926 /nfs/dbraw/zinc/90/19/26/1069901926.db2.gz WHSOVLDIHSFQCF-KRWDZBQOSA-N 0 0 474.630 0.452 20 30 JCEDRN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000105053195 1068050598 /nfs/dbraw/zinc/05/05/98/1068050598.db2.gz WHSOVLDIHSFQCF-QGZVFWFLSA-N 0 0 474.630 0.452 20 30 JCEDRN O=C(COC(=O)CCN1C(=O)CCC1=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000105102636 1069844004 /nfs/dbraw/zinc/84/40/04/1069844004.db2.gz KFIYVDBUWNXJTF-UHFFFAOYSA-N 0 0 478.527 0.958 20 30 JCEDRN COCCCNC(=O)CN(C)CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000105227356 1069851853 /nfs/dbraw/zinc/85/18/53/1069851853.db2.gz VSZWCLVDUZWYDD-UHFFFAOYSA-N 0 0 467.592 0.960 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000105253047 1069854019 /nfs/dbraw/zinc/85/40/19/1069854019.db2.gz YYHQNMBQWNRVPJ-UHFFFAOYSA-N 0 0 455.448 0.619 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)c1 ZINC000105253666 1069854137 /nfs/dbraw/zinc/85/41/37/1069854137.db2.gz KLLRLALPTHYPFY-UHFFFAOYSA-N 0 0 473.511 0.492 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000105264356 1069430990 /nfs/dbraw/zinc/43/09/90/1069430990.db2.gz VIOFRRWCRRUELV-LJQANCHMSA-N 0 0 458.559 0.541 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000105264362 1069431044 /nfs/dbraw/zinc/43/10/44/1069431044.db2.gz VIOFRRWCRRUELV-IBGZPJMESA-N 0 0 458.559 0.541 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 ZINC000105264718 1068053866 /nfs/dbraw/zinc/05/38/66/1068053866.db2.gz FKSUJZVAGHRJFX-KRWDZBQOSA-N 0 0 453.565 0.139 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 ZINC000105264722 1068054115 /nfs/dbraw/zinc/05/41/15/1068054115.db2.gz FKSUJZVAGHRJFX-QGZVFWFLSA-N 0 0 453.565 0.139 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 ZINC000105264983 1069922624 /nfs/dbraw/zinc/92/26/24/1069922624.db2.gz XIWPGRJZZNKOFR-UHFFFAOYSA-N 0 0 490.630 0.686 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000105265489 1069431154 /nfs/dbraw/zinc/43/11/54/1069431154.db2.gz YBIIBTNZSMNMNA-UHFFFAOYSA-N 0 0 464.588 0.542 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 ZINC000105265870 1068053882 /nfs/dbraw/zinc/05/38/82/1068053882.db2.gz YUMHHOKCOFPHMX-QFIPXVFZSA-N 0 0 494.614 0.597 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 ZINC000105265872 1069431085 /nfs/dbraw/zinc/43/10/85/1069431085.db2.gz YUMHHOKCOFPHMX-JOCHJYFZSA-N 0 0 494.614 0.597 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000105278716 1068053933 /nfs/dbraw/zinc/05/39/33/1068053933.db2.gz JSYAUJCQWOLFMJ-UHFFFAOYSA-N 0 0 456.528 0.881 20 30 JCEDRN COc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000105285134 1068054414 /nfs/dbraw/zinc/05/44/14/1068054414.db2.gz LBXUWFLDJPRNPM-UHFFFAOYSA-N 0 0 471.539 0.945 20 30 JCEDRN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC ZINC000105285147 1068054612 /nfs/dbraw/zinc/05/46/12/1068054612.db2.gz DMHSTTUCKHTSDQ-UHFFFAOYSA-N 0 0 459.528 0.988 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000105285515 1068054438 /nfs/dbraw/zinc/05/44/38/1068054438.db2.gz PPXIVLCAZQUTOU-UHFFFAOYSA-N 0 0 456.528 0.282 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000105285872 1068054034 /nfs/dbraw/zinc/05/40/34/1068054034.db2.gz UGKLXGDDRRZMRJ-UHFFFAOYSA-N 0 0 496.593 0.915 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000105288017 1068053904 /nfs/dbraw/zinc/05/39/04/1068053904.db2.gz MINLUFLYDXRYAC-UHFFFAOYSA-N 0 0 471.539 0.945 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000105288731 1068054561 /nfs/dbraw/zinc/05/45/61/1068054561.db2.gz NWVSNZUXEDAFCF-UHFFFAOYSA-N 0 0 458.544 0.494 20 30 JCEDRN Cn1c2ncc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2c(=O)n(C)c1=O ZINC000105294527 1067975522 /nfs/dbraw/zinc/97/55/22/1067975522.db2.gz XUFYSFBWRZNRHE-UHFFFAOYSA-N 0 0 482.522 0.543 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000105359737 1068056381 /nfs/dbraw/zinc/05/63/81/1068056381.db2.gz BWCLCQHBNMDWOZ-KRWDZBQOSA-N 0 0 485.006 0.857 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000105359741 1068056283 /nfs/dbraw/zinc/05/62/83/1068056283.db2.gz BWCLCQHBNMDWOZ-QGZVFWFLSA-N 0 0 485.006 0.857 20 30 JCEDRN C[C@@]1(c2cccs2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000105413183 1068058072 /nfs/dbraw/zinc/05/80/72/1068058072.db2.gz BCPHYSLYLJEIPS-NRFANRHFSA-N 0 0 487.563 0.920 20 30 JCEDRN C[C@]1(c2cccs2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000105413188 1068058208 /nfs/dbraw/zinc/05/82/08/1068058208.db2.gz BCPHYSLYLJEIPS-OAQYLSRUSA-N 0 0 487.563 0.920 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)cc1 ZINC000105452214 1069873507 /nfs/dbraw/zinc/87/35/07/1069873507.db2.gz UFNDECXYROCXEF-UHFFFAOYSA-N 0 0 473.511 0.492 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000105458235 1069873536 /nfs/dbraw/zinc/87/35/36/1069873536.db2.gz BKLJIWLDZBDAOA-UHFFFAOYSA-N 0 0 455.448 0.619 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 ZINC000105518431 1068059703 /nfs/dbraw/zinc/05/97/03/1068059703.db2.gz CRGAAYOBFBTIGB-SFHVURJKSA-N 0 0 454.618 0.533 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 ZINC000105518433 1069433109 /nfs/dbraw/zinc/43/31/09/1069433109.db2.gz CRGAAYOBFBTIGB-GOSISDBHSA-N 0 0 454.618 0.533 20 30 JCEDRN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000105644187 1070225104 /nfs/dbraw/zinc/22/51/04/1070225104.db2.gz QRCSGKFGFARAQB-UHFFFAOYSA-N 0 0 464.525 0.503 20 30 JCEDRN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000105646675 1070225351 /nfs/dbraw/zinc/22/53/51/1070225351.db2.gz OEYKIJMSNLPJDP-UHFFFAOYSA-N 0 0 464.525 0.503 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000105755499 1070226137 /nfs/dbraw/zinc/22/61/37/1070226137.db2.gz GTGKZZKATFDUNY-UHFFFAOYSA-N 0 0 454.512 0.036 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000105922132 1070231220 /nfs/dbraw/zinc/23/12/20/1070231220.db2.gz CMRAEYHHCXBDHD-UHFFFAOYSA-N 0 0 454.512 0.036 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1 ZINC000105939435 1070232785 /nfs/dbraw/zinc/23/27/85/1070232785.db2.gz BODOKZXPANFXFT-UHFFFAOYSA-N 0 0 482.628 0.865 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000105948499 1070232092 /nfs/dbraw/zinc/23/20/92/1070232092.db2.gz BUEGDQDLDNSFOO-GASCZTMLSA-N 0 0 465.576 0.294 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000105948501 1070231973 /nfs/dbraw/zinc/23/19/73/1070231973.db2.gz BUEGDQDLDNSFOO-HUUCEWRRSA-N 0 0 465.576 0.294 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000105948506 1070231802 /nfs/dbraw/zinc/23/18/02/1070231802.db2.gz BUEGDQDLDNSFOO-GJZGRUSLSA-N 0 0 465.576 0.294 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)ccc1F ZINC000105951353 1070233201 /nfs/dbraw/zinc/23/32/01/1070233201.db2.gz ZKOCFTIQQLJYMU-UHFFFAOYSA-N 0 0 496.517 0.428 20 30 JCEDRN COCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000106034405 1070237234 /nfs/dbraw/zinc/23/72/34/1070237234.db2.gz LOQMQTRTELIHMX-UHFFFAOYSA-N 0 0 482.545 0.918 20 30 JCEDRN CCCn1c(N)c(N(CCOC)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(=O)[nH]c1=O ZINC000106034645 1070237160 /nfs/dbraw/zinc/23/71/60/1070237160.db2.gz ZJADDRDLAVYYEG-UHFFFAOYSA-N 0 0 468.518 0.672 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106037767 1070237218 /nfs/dbraw/zinc/23/72/18/1070237218.db2.gz XLYXJWMDDLZOSV-IYBDPMFKSA-N 0 0 489.602 0.649 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000106037770 1070237082 /nfs/dbraw/zinc/23/70/82/1070237082.db2.gz XLYXJWMDDLZOSV-HZPDHXFCSA-N 0 0 489.602 0.649 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000106037773 1070237179 /nfs/dbraw/zinc/23/71/79/1070237179.db2.gz XLYXJWMDDLZOSV-HOTGVXAUSA-N 0 0 489.602 0.649 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000106038711 1070237318 /nfs/dbraw/zinc/23/73/18/1070237318.db2.gz MECJYECSLGSEKD-UHFFFAOYSA-N 0 0 462.553 0.712 20 30 JCEDRN N#Cc1c2c(sc1NC(=O)CCN1CCN(S(=O)(=O)N3CCOCC3)CC1)CCC2 ZINC000106042450 1070238533 /nfs/dbraw/zinc/23/85/33/1070238533.db2.gz OEXHIVLHZQCESN-UHFFFAOYSA-N 0 0 453.590 0.632 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000106055374 1070239086 /nfs/dbraw/zinc/23/90/86/1070239086.db2.gz STUXZHRDYJGCRL-UHFFFAOYSA-N 0 0 496.524 0.552 20 30 JCEDRN Cn1c2nc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)ccc2c(=O)n(C)c1=O ZINC000106081972 1070239858 /nfs/dbraw/zinc/23/98/58/1070239858.db2.gz VOFOXTDEEYXYJU-UHFFFAOYSA-N 0 0 458.482 0.634 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)n2c2ccccc2c1=O ZINC000106185724 1068017542 /nfs/dbraw/zinc/01/75/42/1068017542.db2.gz AEDCOHYKGUEMQW-CQSZACIVSA-N 0 0 476.584 0.863 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)n2c2ccccc2c1=O ZINC000106185728 1068017879 /nfs/dbraw/zinc/01/78/79/1068017879.db2.gz AEDCOHYKGUEMQW-AWEZNQCLSA-N 0 0 476.584 0.863 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 ZINC000106202592 1068081267 /nfs/dbraw/zinc/08/12/67/1068081267.db2.gz VDEWKGBBNSAKFM-UHFFFAOYSA-N 0 0 496.586 0.303 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000106288738 1068063877 /nfs/dbraw/zinc/06/38/77/1068063877.db2.gz BATOAHHOPLSZLQ-UHFFFAOYSA-N 0 0 451.321 0.621 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCNc2ncccc2C#N)c1OC ZINC000107657034 1068080868 /nfs/dbraw/zinc/08/08/68/1068080868.db2.gz PTAIZEBPWWXMFF-UHFFFAOYSA-N 0 0 475.527 0.833 20 30 JCEDRN N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000107657456 1068080989 /nfs/dbraw/zinc/08/09/89/1068080989.db2.gz ALBWJQTUUJOBAF-UHFFFAOYSA-N 0 0 451.530 0.365 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCN2C(=O)CCC2=O)CC1 ZINC000107669291 1068081358 /nfs/dbraw/zinc/08/13/58/1068081358.db2.gz TXZQWNIXBALNHM-UHFFFAOYSA-N 0 0 455.427 0.537 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000107885200 1069466733 /nfs/dbraw/zinc/46/67/33/1069466733.db2.gz JTUCVZQCPXXCEC-UHFFFAOYSA-N 0 0 458.496 0.649 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000107926480 1069467383 /nfs/dbraw/zinc/46/73/83/1069467383.db2.gz AKONUAYMUMYTJT-UHFFFAOYSA-N 0 0 454.552 0.934 20 30 JCEDRN C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000108034968 1068090341 /nfs/dbraw/zinc/09/03/41/1068090341.db2.gz ITNUMEHSYUTUEW-MRXNPFEDSA-N 0 0 458.558 0.535 20 30 JCEDRN C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000108034970 1068090507 /nfs/dbraw/zinc/09/05/07/1068090507.db2.gz ITNUMEHSYUTUEW-INIZCTEOSA-N 0 0 458.558 0.535 20 30 JCEDRN CCn1c(=O)[nH]c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2c1=O ZINC000108047154 1069467959 /nfs/dbraw/zinc/46/79/59/1069467959.db2.gz ZSFQJZVITWKONR-UHFFFAOYSA-N 0 0 467.507 0.728 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)cc1 ZINC000108099965 1069468025 /nfs/dbraw/zinc/46/80/25/1069468025.db2.gz JZYIHFQBVHGPNJ-UHFFFAOYSA-N 0 0 468.583 0.917 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000108134191 1068115574 /nfs/dbraw/zinc/11/55/74/1068115574.db2.gz ZTWUVYFSZFHJNP-UHFFFAOYSA-N 0 0 470.555 0.795 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCNc2ncccc2C#N)c1 ZINC000108138027 1068115634 /nfs/dbraw/zinc/11/56/34/1068115634.db2.gz MCTJIZWLEIHOAZ-UHFFFAOYSA-N 0 0 458.544 0.882 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000108305418 1068359132 /nfs/dbraw/zinc/35/91/32/1068359132.db2.gz PZOANDBYAQIUCX-JJIBRWJFSA-N 0 0 470.511 0.697 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C)nc4ncnn43)CC2)ccc1F ZINC000108410607 1069028025 /nfs/dbraw/zinc/02/80/25/1069028025.db2.gz SRIMTYKHCBWRQR-UHFFFAOYSA-N 0 0 459.507 0.999 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000108486936 1069471931 /nfs/dbraw/zinc/47/19/31/1069471931.db2.gz PAMCBHPCQOTWLI-INIZCTEOSA-N 0 0 462.553 0.758 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000108633201 1069544838 /nfs/dbraw/zinc/54/48/38/1069544838.db2.gz YZLRUHCYZPEMNY-JJIBRWJFSA-N 0 0 470.511 0.697 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 ZINC000108657657 1069473978 /nfs/dbraw/zinc/47/39/78/1069473978.db2.gz LQEXVUALBVARKV-UHFFFAOYSA-N 0 0 487.563 0.621 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000108751187 1070057593 /nfs/dbraw/zinc/05/75/93/1070057593.db2.gz HGUOVVQLALITIU-UHFFFAOYSA-N 0 0 453.506 0.393 20 30 JCEDRN C=CCn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000108756176 1070057321 /nfs/dbraw/zinc/05/73/21/1070057321.db2.gz NJFJBPVIPCALTL-UHFFFAOYSA-N 0 0 454.534 0.619 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000108793627 1069666184 /nfs/dbraw/zinc/66/61/84/1069666184.db2.gz IIKYOHOMHDCBAJ-AWEZNQCLSA-N 0 0 462.484 0.823 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000108793629 1069666152 /nfs/dbraw/zinc/66/61/52/1069666152.db2.gz IIKYOHOMHDCBAJ-CQSZACIVSA-N 0 0 462.484 0.823 20 30 JCEDRN Cc1nc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)ccc1C#N ZINC000108854948 1069475707 /nfs/dbraw/zinc/47/57/07/1069475707.db2.gz WQIRTNFEJGLNER-UHFFFAOYSA-N 0 0 481.538 0.354 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)CC1 ZINC000108935139 1067642088 /nfs/dbraw/zinc/64/20/88/1067642088.db2.gz MQQXDZUXQIGOPM-UHFFFAOYSA-N 0 0 470.574 0.924 20 30 JCEDRN C=CCN(C(=O)CSc1nnc2nc(NCC)nc(NCC)n21)[C@@H]1CCS(=O)(=O)C1 ZINC000108937964 1069697738 /nfs/dbraw/zinc/69/77/38/1069697738.db2.gz ZTHZUCKPDGKFOC-GFCCVEGCSA-N 0 0 454.582 0.677 20 30 JCEDRN C=CCN(C(=O)CSc1nnc2nc(NCC)nc(NCC)n21)[C@H]1CCS(=O)(=O)C1 ZINC000108937967 1069475684 /nfs/dbraw/zinc/47/56/84/1069475684.db2.gz ZTHZUCKPDGKFOC-LBPRGKRZSA-N 0 0 454.582 0.677 20 30 JCEDRN C=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000108938639 1067644387 /nfs/dbraw/zinc/64/43/87/1067644387.db2.gz UUPHEEFEQRETKI-OAHLLOKOSA-N 0 0 458.558 0.718 20 30 JCEDRN C=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000108938640 1067644500 /nfs/dbraw/zinc/64/45/00/1067644500.db2.gz UUPHEEFEQRETKI-HNNXBMFYSA-N 0 0 458.558 0.718 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000109040444 1069477471 /nfs/dbraw/zinc/47/74/71/1069477471.db2.gz FVCSTBZIFISZJQ-UHFFFAOYSA-N 0 0 467.507 0.863 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)n2c2ccccc2c1=O ZINC000109046990 1069443004 /nfs/dbraw/zinc/44/30/04/1069443004.db2.gz AZIFOJPERPLOTK-AWEZNQCLSA-N 0 0 476.584 0.863 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)n2c2ccccc2c1=O ZINC000109046991 1069443792 /nfs/dbraw/zinc/44/37/92/1069443792.db2.gz AZIFOJPERPLOTK-CQSZACIVSA-N 0 0 476.584 0.863 20 30 JCEDRN CS(=O)(=O)N1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000109047076 1069477978 /nfs/dbraw/zinc/47/79/78/1069477978.db2.gz RYTUNXWTUWYWNK-KRWDZBQOSA-N 0 0 454.574 0.499 20 30 JCEDRN CS(=O)(=O)N1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000109047079 1069477428 /nfs/dbraw/zinc/47/74/28/1069477428.db2.gz RYTUNXWTUWYWNK-QGZVFWFLSA-N 0 0 454.574 0.499 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(N3CCOCC3)s2)CC1 ZINC000109068145 1069478643 /nfs/dbraw/zinc/47/86/43/1069478643.db2.gz YSJUTLSURJWZTF-UHFFFAOYSA-N 0 0 494.624 0.872 20 30 JCEDRN COc1cc(CNC(=O)CON=C(N)C2=C(N)C3(CCCC3)N(C)C2=O)cc(OC)c1OC ZINC000109086697 1069883448 /nfs/dbraw/zinc/88/34/48/1069883448.db2.gz FSLPLHSTBFOTTG-UHFFFAOYSA-N 0 0 461.519 0.615 20 30 JCEDRN COc1cc2c(cc1OC)CN(C(=O)CON=C(N)C1=C(N)C3(CCCC3)N(C)C1=O)CC2 ZINC000109087128 1069883238 /nfs/dbraw/zinc/88/32/38/1069883238.db2.gz SOZTZQKRAUFCBL-UHFFFAOYSA-N 0 0 457.531 0.875 20 30 JCEDRN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CON=C(N)C2=C(N)C3(CCCC3)N(C)C2=O)c1 ZINC000109087753 1069883655 /nfs/dbraw/zinc/88/36/55/1069883655.db2.gz YCCXMSGOHXVCTD-UHFFFAOYSA-N 0 0 492.602 0.942 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)CC1 ZINC000109129315 1069888269 /nfs/dbraw/zinc/88/82/69/1069888269.db2.gz SKUHFPDUFNPVNX-SFHVURJKSA-N 0 0 493.476 0.789 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)CC1 ZINC000109129316 1069888182 /nfs/dbraw/zinc/88/81/82/1069888182.db2.gz SKUHFPDUFNPVNX-GOSISDBHSA-N 0 0 493.476 0.789 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc1 ZINC000109198321 1067679715 /nfs/dbraw/zinc/67/97/15/1067679715.db2.gz ZREPQNNHAREQEF-UHFFFAOYSA-N 0 0 457.468 0.049 20 30 JCEDRN CS(=O)(=O)c1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccn21 ZINC000109253888 1069479727 /nfs/dbraw/zinc/47/97/27/1069479727.db2.gz PSRHIFMNDFLGTP-UHFFFAOYSA-N 0 0 473.536 0.756 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000109261711 1069480392 /nfs/dbraw/zinc/48/03/92/1069480392.db2.gz KCVXOROTGVCQFA-UHFFFAOYSA-N 0 0 466.497 0.215 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 ZINC000109280232 1067685389 /nfs/dbraw/zinc/68/53/89/1067685389.db2.gz BDBAHKHREZZTJN-UHFFFAOYSA-N 0 0 458.631 0.546 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)CS/C2=C/C(=O)OC)cc1 ZINC000109393181 1069935255 /nfs/dbraw/zinc/93/52/55/1069935255.db2.gz RXYCUNMEVMSBKL-SFQUDFHCSA-N 0 0 452.510 0.735 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCCCN2C(=O)CS/C2=C/C(=O)OC)c1 ZINC000109393386 1069935109 /nfs/dbraw/zinc/93/51/09/1069935109.db2.gz BRAHZZINAIJKLM-SFQUDFHCSA-N 0 0 452.510 0.735 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 ZINC000109411134 1069935926 /nfs/dbraw/zinc/93/59/26/1069935926.db2.gz WFAOJIOUXNJJSS-UHFFFAOYSA-N 0 0 482.562 0.914 20 30 JCEDRN Cn1c2[nH]c(CCC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)nc2c(=O)[nH]c1=O ZINC000109412647 1069480936 /nfs/dbraw/zinc/48/09/36/1069480936.db2.gz IFTBTLWYMONRDD-UHFFFAOYSA-N 0 0 464.442 0.351 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000109419335 1069480842 /nfs/dbraw/zinc/48/08/42/1069480842.db2.gz RPVQCYIGRJTHJS-UHFFFAOYSA-N 0 0 467.507 0.860 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000109540276 1069938514 /nfs/dbraw/zinc/93/85/14/1069938514.db2.gz XSLKUEIIJPCDIP-UHFFFAOYSA-N 0 0 464.463 0.964 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000109540279 1069939066 /nfs/dbraw/zinc/93/90/66/1069939066.db2.gz BZWXZMAVNUENTQ-UHFFFAOYSA-N 0 0 452.452 0.723 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCS(=O)(=O)N3CCOCC3)n2c2ccccc2c1=O ZINC000109627464 1069939892 /nfs/dbraw/zinc/93/98/92/1069939892.db2.gz ZZVKDLFAZUAFDL-UHFFFAOYSA-N 0 0 492.583 0.101 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000109630590 1069942813 /nfs/dbraw/zinc/94/28/13/1069942813.db2.gz PCKBVJXOVUAPRW-UHFFFAOYSA-N 0 0 463.516 0.801 20 30 JCEDRN CCS(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)CC1 ZINC000109635801 1069945639 /nfs/dbraw/zinc/94/56/39/1069945639.db2.gz DVGRIOQDTSZIPO-UHFFFAOYSA-N 0 0 457.578 0.063 20 30 JCEDRN CCS(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CC1 ZINC000109636232 1069945620 /nfs/dbraw/zinc/94/56/20/1069945620.db2.gz SPAOBUGTSDXVDB-UHFFFAOYSA-N 0 0 485.632 0.843 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 ZINC000109883183 1069948694 /nfs/dbraw/zinc/94/86/94/1069948694.db2.gz BRIIIMOGELCNSH-UHFFFAOYSA-N 0 0 457.556 0.890 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000109891692 1069948575 /nfs/dbraw/zinc/94/85/75/1069948575.db2.gz KSROWZHBOPNDKK-WBVHZDCISA-N 0 0 475.552 0.564 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000109891696 1069948607 /nfs/dbraw/zinc/94/86/07/1069948607.db2.gz KSROWZHBOPNDKK-NVXWUHKLSA-N 0 0 475.552 0.564 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000109891700 1069948373 /nfs/dbraw/zinc/94/83/73/1069948373.db2.gz KSROWZHBOPNDKK-RDJZCZTQSA-N 0 0 475.552 0.564 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000109891703 1069948585 /nfs/dbraw/zinc/94/85/85/1069948585.db2.gz KSROWZHBOPNDKK-DOTOQJQBSA-N 0 0 475.552 0.564 20 30 JCEDRN Cn1c2nc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)ccc2c(=O)n(C)c1=O ZINC000109938568 1069481999 /nfs/dbraw/zinc/48/19/99/1069481999.db2.gz MEYGVCVWCWNAQP-MRXNPFEDSA-N 0 0 450.480 0.658 20 30 JCEDRN Cn1c2nc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)ccc2c(=O)n(C)c1=O ZINC000109938571 1069482222 /nfs/dbraw/zinc/48/22/22/1069482222.db2.gz MEYGVCVWCWNAQP-INIZCTEOSA-N 0 0 450.480 0.658 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000109941953 1069482133 /nfs/dbraw/zinc/48/21/33/1069482133.db2.gz LRFQKYRIKPDEDZ-LJQANCHMSA-N 0 0 499.574 0.833 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000109941957 1069482185 /nfs/dbraw/zinc/48/21/85/1069482185.db2.gz LRFQKYRIKPDEDZ-IBGZPJMESA-N 0 0 499.574 0.833 20 30 JCEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000110026477 1069482056 /nfs/dbraw/zinc/48/20/56/1069482056.db2.gz JLRSCWICDQRTND-OAQYLSRUSA-N 0 0 475.615 0.992 20 30 JCEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000110026480 1069482153 /nfs/dbraw/zinc/48/21/53/1069482153.db2.gz JLRSCWICDQRTND-NRFANRHFSA-N 0 0 475.615 0.992 20 30 JCEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000110090192 1069481959 /nfs/dbraw/zinc/48/19/59/1069481959.db2.gz DNJMERLLLXSLBN-FQEVSTJZSA-N 0 0 451.468 0.905 20 30 JCEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000110090195 1069482821 /nfs/dbraw/zinc/48/28/21/1069482821.db2.gz DNJMERLLLXSLBN-HXUWFJFHSA-N 0 0 451.468 0.905 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000110255828 1069482823 /nfs/dbraw/zinc/48/28/23/1069482823.db2.gz DAMNOKCWPACTHO-QGZVFWFLSA-N 0 0 464.544 0.439 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000110255832 1069482830 /nfs/dbraw/zinc/48/28/30/1069482830.db2.gz DAMNOKCWPACTHO-KRWDZBQOSA-N 0 0 464.544 0.439 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000110269081 1068134934 /nfs/dbraw/zinc/13/49/34/1068134934.db2.gz SOOXOTFRDRWSEL-QGZVFWFLSA-N 0 0 464.544 0.752 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000110269085 1068135040 /nfs/dbraw/zinc/13/50/40/1068135040.db2.gz SOOXOTFRDRWSEL-KRWDZBQOSA-N 0 0 464.544 0.752 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000110349523 1068137722 /nfs/dbraw/zinc/13/77/22/1068137722.db2.gz PINQIPFLGWBWTG-UHFFFAOYSA-N 0 0 464.544 0.752 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000110361511 1069484002 /nfs/dbraw/zinc/48/40/02/1069484002.db2.gz DBGJBNQIPLJMOF-UHFFFAOYSA-N 0 0 464.544 0.439 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1C ZINC000110529691 1069956423 /nfs/dbraw/zinc/95/64/23/1069956423.db2.gz NZMGIAQBUZSQJW-UHFFFAOYSA-N 0 0 471.499 0.636 20 30 JCEDRN C=CCn1c(SCC(=O)NCC#N)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000110825855 1069487225 /nfs/dbraw/zinc/48/72/25/1069487225.db2.gz LFMAENHXTFTVQS-UHFFFAOYSA-N 0 0 462.557 0.884 20 30 JCEDRN CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000110873389 1069487685 /nfs/dbraw/zinc/48/76/85/1069487685.db2.gz RUEPPLGRBAHVNU-UHFFFAOYSA-N 0 0 482.522 0.636 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 ZINC000110893275 1069487865 /nfs/dbraw/zinc/48/78/65/1069487865.db2.gz RAEKOSBORAPBJP-UHFFFAOYSA-N 0 0 487.538 0.938 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccccc1 ZINC000110897008 1069487826 /nfs/dbraw/zinc/48/78/26/1069487826.db2.gz FTVQCQUIALBPLM-UHFFFAOYSA-N 0 0 462.466 0.998 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)CC1 ZINC000110899142 1069356103 /nfs/dbraw/zinc/35/61/03/1069356103.db2.gz MDBBETZTWHONIW-UHFFFAOYSA-N 0 0 476.603 0.350 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000115835166 1070750723 /nfs/dbraw/zinc/75/07/23/1070750723.db2.gz IJOLGPKWEBSSCV-UHFFFAOYSA-N 0 0 476.559 0.716 20 30 JCEDRN CN(CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000116280809 1070756226 /nfs/dbraw/zinc/75/62/26/1070756226.db2.gz MXMYGTJJFWLKFV-UHFFFAOYSA-N 0 0 470.555 0.429 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000116280973 1070134773 /nfs/dbraw/zinc/13/47/73/1070134773.db2.gz ILNJAETXKPLLFA-UHFFFAOYSA-N 0 0 455.540 0.462 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000116280981 1070135000 /nfs/dbraw/zinc/13/50/00/1070135000.db2.gz LCIKUFOGWAUYIU-UHFFFAOYSA-N 0 0 455.540 0.462 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccco2)c2c(N)n(CCCC)c(=O)[nH]c2=O)C1=O ZINC000116294108 1069656439 /nfs/dbraw/zinc/65/64/39/1069656439.db2.gz ZIJFSKJKAPRKDZ-UHFFFAOYSA-N 0 0 472.458 0.022 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000116307411 1069656573 /nfs/dbraw/zinc/65/65/73/1069656573.db2.gz BILZZJZYUOGPJK-UHFFFAOYSA-N 0 0 452.464 0.026 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)c1 ZINC000116389242 1070134750 /nfs/dbraw/zinc/13/47/50/1070134750.db2.gz WLFSWMFNINYCLP-QFIPXVFZSA-N 0 0 470.507 0.672 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)c1 ZINC000116389245 1070135084 /nfs/dbraw/zinc/13/50/84/1070135084.db2.gz WLFSWMFNINYCLP-JOCHJYFZSA-N 0 0 470.507 0.672 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1C ZINC000116506255 1070758059 /nfs/dbraw/zinc/75/80/59/1070758059.db2.gz VILXKZHJDBBAIF-UHFFFAOYSA-N 0 0 474.522 0.535 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)nc2N2CCN(C(C)=O)CC2)cc1 ZINC000116528376 1070136782 /nfs/dbraw/zinc/13/67/82/1070136782.db2.gz OSAUIEAYIMVTJE-UHFFFAOYSA-N 0 0 471.539 0.923 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)C1=O ZINC000116543588 1069938048 /nfs/dbraw/zinc/93/80/48/1069938048.db2.gz VULOYBFRVUPRGO-HNNXBMFYSA-N 0 0 459.455 0.670 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)C1=O ZINC000116543590 1069938023 /nfs/dbraw/zinc/93/80/23/1069938023.db2.gz VULOYBFRVUPRGO-OAHLLOKOSA-N 0 0 459.455 0.670 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)C1=O ZINC000116544513 1069937888 /nfs/dbraw/zinc/93/78/88/1069937888.db2.gz CKAGZJPPLLTBJR-UHFFFAOYSA-N 0 0 477.524 0.996 20 30 JCEDRN Cc1nn(C)c2ncc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc12 ZINC000116606130 1070758717 /nfs/dbraw/zinc/75/87/17/1070758717.db2.gz WDVPEOYLPKRGGV-UHFFFAOYSA-N 0 0 460.541 0.844 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1C ZINC000116611260 1070758600 /nfs/dbraw/zinc/75/86/00/1070758600.db2.gz LCMKCUNXRSCMFU-UHFFFAOYSA-N 0 0 459.488 0.475 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000116671654 1069516800 /nfs/dbraw/zinc/51/68/00/1069516800.db2.gz BTUHATSMBJTNQV-UHFFFAOYSA-N 0 0 458.544 0.410 20 30 JCEDRN CC1CCC(NS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000116773281 1070758737 /nfs/dbraw/zinc/75/87/37/1070758737.db2.gz UXQMNUJOTVHOCF-UHFFFAOYSA-N 0 0 468.601 0.889 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000117442696 1069520094 /nfs/dbraw/zinc/52/00/94/1069520094.db2.gz WXJSBOYAGYNCBA-UHFFFAOYSA-N 0 0 452.389 0.967 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)C1=O ZINC000206118255 1070525796 /nfs/dbraw/zinc/52/57/96/1070525796.db2.gz LOFZIVDJVZIBFJ-GXDHUFHOSA-N 0 0 460.443 0.955 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)CS/C2=C\C(=O)OC)cc1 ZINC000211378553 1070305067 /nfs/dbraw/zinc/30/50/67/1070305067.db2.gz RXYCUNMEVMSBKL-ATVHPVEESA-N 0 0 452.510 0.735 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCCCN2C(=O)CS/C2=C\C(=O)OC)c1 ZINC000211381137 1070305023 /nfs/dbraw/zinc/30/50/23/1070305023.db2.gz BRAHZZINAIJKLM-ATVHPVEESA-N 0 0 452.510 0.735 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000303174826 1070724050 /nfs/dbraw/zinc/72/40/50/1070724050.db2.gz BYIUFKDVBISDDP-CYBMUJFWSA-N 0 0 455.378 0.913 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000303174830 1069720617 /nfs/dbraw/zinc/72/06/17/1069720617.db2.gz BYIUFKDVBISDDP-ZDUSSCGKSA-N 0 0 455.378 0.913 20 30 JCEDRN Cn1c(CCC(=O)Nc2ccc(C#N)cn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000409730877 1069594671 /nfs/dbraw/zinc/59/46/71/1069594671.db2.gz OIOQJYUENWWLQA-UHFFFAOYSA-N 0 0 454.512 1.432 20 30 JCEDRN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(C#N)cn1 ZINC000409745640 1069582948 /nfs/dbraw/zinc/58/29/48/1069582948.db2.gz IPPRFXASCWBZLE-FQEVSTJZSA-N 0 0 471.539 1.367 20 30 JCEDRN CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(C#N)cn1 ZINC000409745641 1069582754 /nfs/dbraw/zinc/58/27/54/1069582754.db2.gz IPPRFXASCWBZLE-HXUWFJFHSA-N 0 0 471.539 1.367 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000409843732 1070381252 /nfs/dbraw/zinc/38/12/52/1070381252.db2.gz PHKXNVBHRABGOF-UHFFFAOYSA-N 0 0 497.573 0.626 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000409854126 1070381440 /nfs/dbraw/zinc/38/14/40/1070381440.db2.gz RPIRBIPFURKHGR-UHFFFAOYSA-N 0 0 468.557 0.902 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000409864499 1070381501 /nfs/dbraw/zinc/38/15/01/1070381501.db2.gz NPTBYVCFOIMSHL-UHFFFAOYSA-N 0 0 499.589 0.850 20 30 JCEDRN COC(=O)COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000409941678 1070383008 /nfs/dbraw/zinc/38/30/08/1070383008.db2.gz BFLMHADMHXHHRL-UHFFFAOYSA-N 0 0 479.536 0.805 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000409943555 1070382990 /nfs/dbraw/zinc/38/29/90/1070382990.db2.gz NDBBNUMTVSCERW-UHFFFAOYSA-N 0 0 483.593 0.965 20 30 JCEDRN COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000409944783 1070382887 /nfs/dbraw/zinc/38/28/87/1070382887.db2.gz VDRKQGXPBOHLAR-UHFFFAOYSA-N 0 0 492.579 0.898 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)c(OCC(=O)OC)c(C)c3)c(=O)n2C)CC1 ZINC000409949915 1070382764 /nfs/dbraw/zinc/38/27/64/1070382764.db2.gz FSYBBMDVVWDXKZ-UHFFFAOYSA-N 0 0 498.605 0.283 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1C ZINC000409953328 1070383103 /nfs/dbraw/zinc/38/31/03/1070383103.db2.gz TWRNKFWIHUXQFM-UHFFFAOYSA-N 0 0 455.536 0.741 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C ZINC000409953371 1070382948 /nfs/dbraw/zinc/38/29/48/1070382948.db2.gz UQSMJISKRICFTI-UHFFFAOYSA-N 0 0 473.551 0.271 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1C ZINC000409954152 1070382798 /nfs/dbraw/zinc/38/27/98/1070382798.db2.gz ZVZFHMLCBNNHSZ-KRWDZBQOSA-N 0 0 485.562 0.414 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1C ZINC000409954153 1070383130 /nfs/dbraw/zinc/38/31/30/1070383130.db2.gz ZVZFHMLCBNNHSZ-QGZVFWFLSA-N 0 0 485.562 0.414 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N[C@@H](C)C(=O)N3CCOCC3)n2c2ccccc2c1=O ZINC000409994581 1070383766 /nfs/dbraw/zinc/38/37/66/1070383766.db2.gz BOLHORCTHIVDHZ-AWEZNQCLSA-N 0 0 456.528 0.686 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N[C@H](C)C(=O)N3CCOCC3)n2c2ccccc2c1=O ZINC000409994583 1070384046 /nfs/dbraw/zinc/38/40/46/1070384046.db2.gz BOLHORCTHIVDHZ-CQSZACIVSA-N 0 0 456.528 0.686 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1C ZINC000410008960 1070385308 /nfs/dbraw/zinc/38/53/08/1070385308.db2.gz CBRLJGGPPNSXON-UHFFFAOYSA-N 0 0 497.573 0.775 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000410010765 1070385414 /nfs/dbraw/zinc/38/54/14/1070385414.db2.gz JTVGTJKPORCCHO-UHFFFAOYSA-N 0 0 485.562 0.460 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000410010854 1070385548 /nfs/dbraw/zinc/38/55/48/1070385548.db2.gz KNVQGSJYHHUTEM-GOSISDBHSA-N 0 0 499.589 0.897 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000410010857 1070385361 /nfs/dbraw/zinc/38/53/61/1070385361.db2.gz KNVQGSJYHHUTEM-SFHVURJKSA-N 0 0 499.589 0.897 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1CC ZINC000410011174 1070385285 /nfs/dbraw/zinc/38/52/85/1070385285.db2.gz LUBPEKQZMHZBSC-UHFFFAOYSA-N 0 0 455.536 0.904 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000410011242 1070385396 /nfs/dbraw/zinc/38/53/96/1070385396.db2.gz MKOXMVAUBMDJAJ-UHFFFAOYSA-N 0 0 455.536 0.880 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C1CC1 ZINC000410013317 1070385057 /nfs/dbraw/zinc/38/50/57/1070385057.db2.gz UEWNRPVHIJCVQI-UHFFFAOYSA-N 0 0 485.562 0.679 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(SC)c(OC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000410014177 1070385090 /nfs/dbraw/zinc/38/50/90/1070385090.db2.gz XEGBYCKXPIOVAA-UHFFFAOYSA-N 0 0 488.635 0.612 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)NCCOC ZINC000410014214 1070384774 /nfs/dbraw/zinc/38/47/74/1070384774.db2.gz XFZIJUZDGGVIOC-UHFFFAOYSA-N 0 0 473.551 0.364 20 30 JCEDRN CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000410028995 1070387581 /nfs/dbraw/zinc/38/75/81/1070387581.db2.gz KOBLQDCFUHOLRY-UHFFFAOYSA-N 0 0 462.553 0.955 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)cc1 ZINC000410032474 1070387446 /nfs/dbraw/zinc/38/74/46/1070387446.db2.gz IHQOQQRRCBAZCU-UHFFFAOYSA-N 0 0 486.641 0.454 20 30 JCEDRN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000410071656 1070388441 /nfs/dbraw/zinc/38/84/41/1070388441.db2.gz WABZYUVMXNUPKU-AWEZNQCLSA-N 0 0 450.542 0.964 20 30 JCEDRN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000410071757 1070388575 /nfs/dbraw/zinc/38/85/75/1070388575.db2.gz WABZYUVMXNUPKU-CQSZACIVSA-N 0 0 450.542 0.964 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(SC)c(OC)c3)c(=O)n2C)CC1 ZINC000410092911 1070388398 /nfs/dbraw/zinc/38/83/98/1070388398.db2.gz DSIBNKCCFLIWLD-UHFFFAOYSA-N 0 0 458.609 0.844 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)ccc1SC ZINC000410093303 1070388501 /nfs/dbraw/zinc/38/85/01/1070388501.db2.gz HUSYPEYUKIBKOE-UHFFFAOYSA-N 0 0 474.608 0.129 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc1C ZINC000410093878 1070388324 /nfs/dbraw/zinc/38/83/24/1070388324.db2.gz KLAYTVIVLZUCGG-UHFFFAOYSA-N 0 0 457.552 0.891 20 30 JCEDRN CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000410296723 1070391476 /nfs/dbraw/zinc/39/14/76/1070391476.db2.gz DYHUCVLIUVSZJB-UHFFFAOYSA-N 0 0 483.616 0.778 20 30 JCEDRN CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000410307294 1070391768 /nfs/dbraw/zinc/39/17/68/1070391768.db2.gz FEFBQYOURUYGKC-UHFFFAOYSA-N 0 0 483.616 0.778 20 30 JCEDRN CN(CC(=O)NCCS(=O)(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000410384382 1070396390 /nfs/dbraw/zinc/39/63/90/1070396390.db2.gz UZJAHDSETWWDMX-UHFFFAOYSA-N 0 0 450.542 0.415 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)ccc1OCC(F)(F)F ZINC000410416657 1070400882 /nfs/dbraw/zinc/40/08/82/1070400882.db2.gz XKDNSYQZIXVMBP-UHFFFAOYSA-N 0 0 480.490 0.933 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000410419049 1070403179 /nfs/dbraw/zinc/40/31/79/1070403179.db2.gz CQBNCVFPUWVYEB-UHFFFAOYSA-N 0 0 480.612 0.934 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 ZINC000436703225 1068924527 /nfs/dbraw/zinc/92/45/27/1068924527.db2.gz HUFGWPMHOIQCDH-UHFFFAOYSA-N 0 0 460.512 0.683 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C ZINC000436706981 1068925279 /nfs/dbraw/zinc/92/52/79/1068925279.db2.gz QZFREDNQHXUXTH-UHFFFAOYSA-N 0 0 450.314 0.729 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc(Br)c1O ZINC000436794552 1068930806 /nfs/dbraw/zinc/93/08/06/1068930806.db2.gz BVJRYWLWABGSPI-UHFFFAOYSA-N 0 0 480.340 0.285 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(Br)c(O)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000436796214 1068930729 /nfs/dbraw/zinc/93/07/29/1068930729.db2.gz IVIWNSDJUZKJDN-UHFFFAOYSA-N 0 0 494.367 0.768 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cc(Br)c1O ZINC000436796734 1068931552 /nfs/dbraw/zinc/93/15/52/1068931552.db2.gz KQTHTKMWLUBQIH-UHFFFAOYSA-N 0 0 450.314 0.705 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(Br)c(O)c(OC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000436797450 1068931414 /nfs/dbraw/zinc/93/14/14/1068931414.db2.gz NJUMPVYHGLCLAC-UHFFFAOYSA-N 0 0 482.356 0.672 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc(Br)c1O ZINC000436798325 1068099213 /nfs/dbraw/zinc/09/92/13/1068099213.db2.gz SQAQQYKXLDFCFK-UHFFFAOYSA-N 0 0 452.330 0.951 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc(Br)c1O ZINC000436799734 1068930047 /nfs/dbraw/zinc/93/00/47/1068930047.db2.gz ZGSOQFHDQXOOTN-GFCCVEGCSA-N 0 0 494.367 0.722 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc(Br)c1O ZINC000436799735 1068930150 /nfs/dbraw/zinc/93/01/50/1068930150.db2.gz ZGSOQFHDQXOOTN-LBPRGKRZSA-N 0 0 494.367 0.722 20 30 JCEDRN C=CCNC(=O)Cn1c(=O)c(=Cc2cc(OC)c(O)cc2[N+](=O)[O-])sc1=CC(=O)C1CC1 ZINC000436983799 1068984033 /nfs/dbraw/zinc/98/40/33/1068984033.db2.gz DHSISHKWEKGVQQ-UHFFFAOYSA-N 0 0 459.480 0.423 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000476139523 1070020233 /nfs/dbraw/zinc/02/02/33/1070020233.db2.gz HEQFNHHPIQAAEF-UHFFFAOYSA-N 0 0 457.512 0.757 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 ZINC000476164263 1070021194 /nfs/dbraw/zinc/02/11/94/1070021194.db2.gz SLGIBLKQMQQDNI-UHFFFAOYSA-N 0 0 474.583 0.189 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCN1CCOCC1 ZINC000476170143 1070021599 /nfs/dbraw/zinc/02/15/99/1070021599.db2.gz WKZKPJIYKMXCCR-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C[C@H](C)O1 ZINC000477031454 1067762067 /nfs/dbraw/zinc/76/20/67/1067762067.db2.gz XSDIHOITERJASD-FCEWJHQRSA-N 0 0 461.544 0.162 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 ZINC000477031458 1067762412 /nfs/dbraw/zinc/76/24/12/1067762412.db2.gz XSDIHOITERJASD-GPMSIDNRSA-N 0 0 461.544 0.162 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C[C@H](C)O1 ZINC000477031461 1070071307 /nfs/dbraw/zinc/07/13/07/1070071307.db2.gz XSDIHOITERJASD-JTDSTZFVSA-N 0 0 461.544 0.162 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 ZINC000477031464 1070071404 /nfs/dbraw/zinc/07/14/04/1070071404.db2.gz XSDIHOITERJASD-MDZRGWNJSA-N 0 0 461.544 0.162 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000477126378 1070071973 /nfs/dbraw/zinc/07/19/73/1070071973.db2.gz OCAVODLKHAYLRB-UHFFFAOYSA-N 0 0 494.507 0.933 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 ZINC000477172638 1070074441 /nfs/dbraw/zinc/07/44/41/1070074441.db2.gz BSSHYFOJODVMQG-UHFFFAOYSA-N 0 0 494.507 0.933 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000477177009 1070074549 /nfs/dbraw/zinc/07/45/49/1070074549.db2.gz MPZDUTNMMYWTJV-KDURUIRLSA-N 0 0 498.671 0.962 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000477177015 1070074680 /nfs/dbraw/zinc/07/46/80/1070074680.db2.gz MPZDUTNMMYWTJV-OALUTQOASA-N 0 0 498.671 0.962 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000477177016 1070074737 /nfs/dbraw/zinc/07/47/37/1070074737.db2.gz MPZDUTNMMYWTJV-RTBURBONSA-N 0 0 498.671 0.962 20 30 JCEDRN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000478115770 1070094116 /nfs/dbraw/zinc/09/41/16/1070094116.db2.gz ZCSYXYOMUVHEJU-IBGZPJMESA-N 0 0 468.601 0.985 20 30 JCEDRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000478115772 1070094406 /nfs/dbraw/zinc/09/44/06/1070094406.db2.gz ZCSYXYOMUVHEJU-LJQANCHMSA-N 0 0 468.601 0.985 20 30 JCEDRN NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC#Cc1ccccc1 ZINC000478222888 1070096271 /nfs/dbraw/zinc/09/62/71/1070096271.db2.gz DJUXULGXJRAAPN-GOSISDBHSA-N 0 0 457.508 0.538 20 30 JCEDRN NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC#Cc1ccccc1 ZINC000478222897 1070096169 /nfs/dbraw/zinc/09/61/69/1070096169.db2.gz DJUXULGXJRAAPN-SFHVURJKSA-N 0 0 457.508 0.538 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000478671842 1067815207 /nfs/dbraw/zinc/81/52/07/1067815207.db2.gz DPXOHWOHHSFHTD-UHFFFAOYSA-N 0 0 472.571 0.872 20 30 JCEDRN COc1cc(C#N)ccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000478697646 1070106727 /nfs/dbraw/zinc/10/67/27/1070106727.db2.gz DWUBAOVXYSYUQF-UHFFFAOYSA-N 0 0 459.528 0.609 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000479047925 1067817709 /nfs/dbraw/zinc/81/77/09/1067817709.db2.gz MHPMFRHLCQWOKY-CYBMUJFWSA-N 0 0 488.360 0.908 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000479047926 1070117881 /nfs/dbraw/zinc/11/78/81/1070117881.db2.gz MHPMFRHLCQWOKY-ZDUSSCGKSA-N 0 0 488.360 0.908 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000479756383 1070137192 /nfs/dbraw/zinc/13/71/92/1070137192.db2.gz YPLMFTUXGQNYTE-UHFFFAOYSA-N 0 0 456.590 0.747 20 30 JCEDRN COc1cccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000480030010 1070141489 /nfs/dbraw/zinc/14/14/89/1070141489.db2.gz NJZCCDSCRDAYGY-UHFFFAOYSA-N 0 0 491.573 0.254 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(OC)c1 ZINC000480043844 1070141743 /nfs/dbraw/zinc/14/17/43/1070141743.db2.gz PHEPVRJBJUSCAN-UHFFFAOYSA-N 0 0 450.520 0.958 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2cccc(OC)c2)CC1 ZINC000480046445 1070141643 /nfs/dbraw/zinc/14/16/43/1070141643.db2.gz SUFAKYOFBFFTCR-UHFFFAOYSA-N 0 0 475.574 0.970 20 30 JCEDRN N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000480098063 1070142562 /nfs/dbraw/zinc/14/25/62/1070142562.db2.gz KUEVFGKYBFHNBB-UHFFFAOYSA-N 0 0 462.535 0.174 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1cccs1 ZINC000480100296 1070142583 /nfs/dbraw/zinc/14/25/83/1070142583.db2.gz VOIMQPBKOWWDOT-UHFFFAOYSA-N 0 0 481.603 0.366 20 30 JCEDRN N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000480125141 1070142531 /nfs/dbraw/zinc/14/25/31/1070142531.db2.gz NGTZIDDSKCPLIF-UHFFFAOYSA-N 0 0 467.576 0.840 20 30 JCEDRN COc1cccc(-n2c(=O)c(=Cc3ccccc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000480127064 1070143488 /nfs/dbraw/zinc/14/34/88/1070143488.db2.gz OCOXESUOIBOJBZ-UHFFFAOYSA-N 0 0 490.585 0.859 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480151099 1070143399 /nfs/dbraw/zinc/14/33/99/1070143399.db2.gz GIUPUEVCDDZBES-UHFFFAOYSA-N 0 0 458.559 0.800 20 30 JCEDRN Cn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480151314 1070143438 /nfs/dbraw/zinc/14/34/38/1070143438.db2.gz GYOHQQJVISEGGF-UHFFFAOYSA-N 0 0 450.923 0.191 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480152389 1070143410 /nfs/dbraw/zinc/14/34/10/1070143410.db2.gz JWMOLFUWQPKBHP-UHFFFAOYSA-N 0 0 485.566 0.570 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C ZINC000480153805 1070143498 /nfs/dbraw/zinc/14/34/98/1070143498.db2.gz OEOPVWKHTCIJNS-UHFFFAOYSA-N 0 0 461.540 0.518 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480153899 1070143469 /nfs/dbraw/zinc/14/34/69/1070143469.db2.gz HGDJDSYFSURILE-UHFFFAOYSA-N 0 0 491.411 0.644 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480154191 1070143458 /nfs/dbraw/zinc/14/34/58/1070143458.db2.gz IEMNUUXTFDFSCP-UHFFFAOYSA-N 0 0 484.578 0.042 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000480154241 1070143521 /nfs/dbraw/zinc/14/35/21/1070143521.db2.gz IOTZVVKOGUWNSH-UHFFFAOYSA-N 0 0 459.524 0.317 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C)CC1 ZINC000480154744 1070143369 /nfs/dbraw/zinc/14/33/69/1070143369.db2.gz RLECVGGMQDSQOJ-UHFFFAOYSA-N 0 0 472.567 0.140 20 30 JCEDRN CCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480155435 1070143420 /nfs/dbraw/zinc/14/34/20/1070143420.db2.gz MVTUKJKSNJTLMO-UHFFFAOYSA-N 0 0 464.950 0.674 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc(OC)c1OC ZINC000480155670 1070143346 /nfs/dbraw/zinc/14/33/46/1070143346.db2.gz VQLIMSMCWHQRPS-AWEZNQCLSA-N 0 0 459.524 0.271 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc(OC)c1OC ZINC000480155671 1070143450 /nfs/dbraw/zinc/14/34/50/1070143450.db2.gz VQLIMSMCWHQRPS-CQSZACIVSA-N 0 0 459.524 0.271 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480155869 1070143508 /nfs/dbraw/zinc/14/35/08/1070143508.db2.gz VVUWOTGYDGOSKB-UHFFFAOYSA-N 0 0 477.384 0.161 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Br)cc3)c(=O)n2C)CC1 ZINC000480156929 1070143512 /nfs/dbraw/zinc/14/35/12/1070143512.db2.gz ZBSKYGGDYVOTJE-UHFFFAOYSA-N 0 0 461.385 0.876 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000480158107 1070143428 /nfs/dbraw/zinc/14/34/28/1070143428.db2.gz WBIACNOMFTWCPM-UHFFFAOYSA-N 0 0 461.540 0.611 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000480158779 1070144482 /nfs/dbraw/zinc/14/44/82/1070144482.db2.gz YPTTUTPAFWCDMQ-HNNXBMFYSA-N 0 0 473.551 0.754 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000480158790 1070144600 /nfs/dbraw/zinc/14/46/00/1070144600.db2.gz YPTTUTPAFWCDMQ-OAHLLOKOSA-N 0 0 473.551 0.754 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000480158899 1070144346 /nfs/dbraw/zinc/14/43/46/1070144346.db2.gz ZFHSNOOJGXKGQY-UHFFFAOYSA-N 0 0 486.594 0.623 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCN1CCOCC1 ZINC000480177736 1070144185 /nfs/dbraw/zinc/14/41/85/1070144185.db2.gz CWHFORPEEDOLNY-UHFFFAOYSA-N 0 0 498.605 0.433 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000480178125 1070144446 /nfs/dbraw/zinc/14/44/46/1070144446.db2.gz DJKMBIPNMKNPIN-UHFFFAOYSA-N 0 0 468.579 0.758 20 30 JCEDRN CCCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480178132 1070144424 /nfs/dbraw/zinc/14/44/24/1070144424.db2.gz DJXCWXRNZJBZHW-UHFFFAOYSA-N 0 0 485.566 0.570 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCN1CCOCC1 ZINC000480178771 1070144468 /nfs/dbraw/zinc/14/44/68/1070144468.db2.gz FIOVURDHQLIAEV-UHFFFAOYSA-N 0 0 496.589 0.139 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000480182536 1070144589 /nfs/dbraw/zinc/14/45/89/1070144589.db2.gz NGSWJOVHFXKJFA-INIZCTEOSA-N 0 0 455.536 0.889 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000480182545 1070144226 /nfs/dbraw/zinc/14/42/26/1070144226.db2.gz NGSWJOVHFXKJFA-MRXNPFEDSA-N 0 0 455.536 0.889 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480185536 1070144576 /nfs/dbraw/zinc/14/45/76/1070144576.db2.gz KVBTXCVWUCUXNV-UHFFFAOYSA-N 0 0 498.605 0.288 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccccc1 ZINC000480187513 1070144531 /nfs/dbraw/zinc/14/45/31/1070144531.db2.gz XDAHWUCCHOPVEH-UHFFFAOYSA-N 0 0 463.515 0.936 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCN1CCOCC1 ZINC000480188068 1067850680 /nfs/dbraw/zinc/85/06/80/1067850680.db2.gz YDPISLVWSMQWRE-UHFFFAOYSA-N 0 0 484.578 0.041 20 30 JCEDRN N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 ZINC000480192094 1070144253 /nfs/dbraw/zinc/14/42/53/1070144253.db2.gz YWONBNLRHDDOID-UHFFFAOYSA-N 0 0 461.547 0.779 20 30 JCEDRN N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000480209940 1070145272 /nfs/dbraw/zinc/14/52/72/1070145272.db2.gz BGPHOWVGDFVKCN-UHFFFAOYSA-N 0 0 479.537 0.918 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480210443 1070145406 /nfs/dbraw/zinc/14/54/06/1070145406.db2.gz CDQKFAFHRMDFEQ-INIZCTEOSA-N 0 0 455.536 0.888 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480210444 1070145308 /nfs/dbraw/zinc/14/53/08/1070145308.db2.gz CDQKFAFHRMDFEQ-MRXNPFEDSA-N 0 0 455.536 0.888 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480210508 1070145325 /nfs/dbraw/zinc/14/53/25/1070145325.db2.gz DALZQZKJQJQPAB-KRWDZBQOSA-N 0 0 467.547 0.985 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480210509 1070145401 /nfs/dbraw/zinc/14/54/01/1070145401.db2.gz DALZQZKJQJQPAB-QGZVFWFLSA-N 0 0 467.547 0.985 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480210902 1070145421 /nfs/dbraw/zinc/14/54/21/1070145421.db2.gz DWTCXKPINOQROG-INIZCTEOSA-N 0 0 453.520 0.642 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480210903 1070145343 /nfs/dbraw/zinc/14/53/43/1070145343.db2.gz DWTCXKPINOQROG-MRXNPFEDSA-N 0 0 453.520 0.642 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480211348 1070145418 /nfs/dbraw/zinc/14/54/18/1070145418.db2.gz FQUJQYDCZQVBSG-INIZCTEOSA-N 0 0 471.535 0.126 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480211353 1070145394 /nfs/dbraw/zinc/14/53/94/1070145394.db2.gz FQUJQYDCZQVBSG-MRXNPFEDSA-N 0 0 471.535 0.126 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000480212706 1070145382 /nfs/dbraw/zinc/14/53/82/1070145382.db2.gz IXCJTTCJBVHSEZ-UHFFFAOYSA-N 0 0 466.563 0.534 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000480213394 1070145317 /nfs/dbraw/zinc/14/53/17/1070145317.db2.gz KXSRVPQXXPHHRF-UHFFFAOYSA-N 0 0 473.551 0.373 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CC(C)C ZINC000480213426 1070145262 /nfs/dbraw/zinc/14/52/62/1070145262.db2.gz LHEOCVFSILWUPW-UHFFFAOYSA-N 0 0 457.552 0.993 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCCOCC ZINC000480213503 1070145334 /nfs/dbraw/zinc/14/53/34/1070145334.db2.gz CSYCXPYRZFNUBU-UHFFFAOYSA-N 0 0 455.536 0.913 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1cccs1 ZINC000480213790 1070145355 /nfs/dbraw/zinc/14/53/55/1070145355.db2.gz DMUPCZPKSGJCFI-UHFFFAOYSA-N 0 0 480.615 0.971 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480216175 1070145410 /nfs/dbraw/zinc/14/54/10/1070145410.db2.gz REAQPHXOTMZOBE-KRWDZBQOSA-N 0 0 483.546 0.222 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480216176 1070145301 /nfs/dbraw/zinc/14/53/01/1070145301.db2.gz REAQPHXOTMZOBE-QGZVFWFLSA-N 0 0 483.546 0.222 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000480216197 1070145227 /nfs/dbraw/zinc/14/52/27/1070145227.db2.gz RISGXQSAHWXXNJ-UHFFFAOYSA-N 0 0 455.536 0.699 20 30 JCEDRN N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480218445 1067853809 /nfs/dbraw/zinc/85/38/09/1067853809.db2.gz VHLDADTXKCMBFD-MSOLQXFVSA-N 0 0 497.573 0.658 20 30 JCEDRN N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480218447 1070146286 /nfs/dbraw/zinc/14/62/86/1070146286.db2.gz VHLDADTXKCMBFD-QZTJIDSGSA-N 0 0 497.573 0.658 20 30 JCEDRN N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480218450 1070146295 /nfs/dbraw/zinc/14/62/95/1070146295.db2.gz VHLDADTXKCMBFD-ROUUACIJSA-N 0 0 497.573 0.658 20 30 JCEDRN N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480218452 1070146183 /nfs/dbraw/zinc/14/61/83/1070146183.db2.gz VHLDADTXKCMBFD-ZWKOTPCHSA-N 0 0 497.573 0.658 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000480220167 1070146146 /nfs/dbraw/zinc/14/61/46/1070146146.db2.gz XCWXTCYKQWEHSS-INIZCTEOSA-N 0 0 453.520 0.665 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000480220168 1070146173 /nfs/dbraw/zinc/14/61/73/1070146173.db2.gz XCWXTCYKQWEHSS-MRXNPFEDSA-N 0 0 453.520 0.665 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCCOCC ZINC000480220171 1070146342 /nfs/dbraw/zinc/14/63/42/1070146342.db2.gz XDUBYSRMGOYTIJ-UHFFFAOYSA-N 0 0 455.536 0.913 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000480220671 1070146254 /nfs/dbraw/zinc/14/62/54/1070146254.db2.gz RHPFVUQUOGDOTK-UHFFFAOYSA-N 0 0 455.536 0.889 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480221163 1067853188 /nfs/dbraw/zinc/85/31/88/1067853188.db2.gz YIUHQORDSUJRMF-KRWDZBQOSA-N 0 0 485.562 0.516 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480221176 1070146239 /nfs/dbraw/zinc/14/62/39/1070146239.db2.gz YIUHQORDSUJRMF-QGZVFWFLSA-N 0 0 485.562 0.516 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000480221907 1070146323 /nfs/dbraw/zinc/14/63/23/1070146323.db2.gz ZBVUTOLXVZWIAB-GOSISDBHSA-N 0 0 499.589 0.906 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000480221939 1070146372 /nfs/dbraw/zinc/14/63/72/1070146372.db2.gz ZBVUTOLXVZWIAB-SFHVURJKSA-N 0 0 499.589 0.906 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000480224880 1070146207 /nfs/dbraw/zinc/14/62/07/1070146207.db2.gz VGBXQYCCIBSYQR-UHFFFAOYSA-N 0 0 485.562 0.469 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000480227262 1070146401 /nfs/dbraw/zinc/14/64/01/1070146401.db2.gz YMEYWHGLOBUODS-GOSISDBHSA-N 0 0 499.589 0.906 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000480227264 1070146222 /nfs/dbraw/zinc/14/62/22/1070146222.db2.gz YMEYWHGLOBUODS-SFHVURJKSA-N 0 0 499.589 0.906 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(C(F)(F)F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480246562 1070146352 /nfs/dbraw/zinc/14/63/52/1070146352.db2.gz DSPPTSIXYDDQMA-UHFFFAOYSA-N 0 0 466.485 0.417 20 30 JCEDRN Cn1c(=O)c(=Cc2cccc(Cl)c2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480246589 1070146958 /nfs/dbraw/zinc/14/69/58/1070146958.db2.gz FAGKMHBRXWWNCQ-UHFFFAOYSA-N 0 0 467.378 0.705 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCN3CCOCC3)c2=O)cc1 ZINC000480247220 1070147085 /nfs/dbraw/zinc/14/70/85/1070147085.db2.gz GIMTYLQWJZGIKV-UHFFFAOYSA-N 0 0 491.573 0.787 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(C(F)(F)F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480250675 1070147166 /nfs/dbraw/zinc/14/71/66/1070147166.db2.gz KLUPGEOUHITEKL-UHFFFAOYSA-N 0 0 480.512 0.900 20 30 JCEDRN CCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480295410 1070147155 /nfs/dbraw/zinc/14/71/55/1070147155.db2.gz WDHIYLHXSBZDBD-UHFFFAOYSA-N 0 0 478.521 0.483 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480314113 1070147074 /nfs/dbraw/zinc/14/70/74/1070147074.db2.gz CSACNWKSDXUZDX-UHFFFAOYSA-N 0 0 485.566 0.570 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(Cl)c(Cl)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480316683 1070147181 /nfs/dbraw/zinc/14/71/81/1070147181.db2.gz CICDTKYRNLAWRU-UHFFFAOYSA-N 0 0 467.378 0.705 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(Cl)cc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480344110 1070148209 /nfs/dbraw/zinc/14/82/09/1070148209.db2.gz CJZCEEZVBZSNKJ-UHFFFAOYSA-N 0 0 467.378 0.705 20 30 JCEDRN CCn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480346430 1070148261 /nfs/dbraw/zinc/14/82/61/1070148261.db2.gz CXARKFCGFQIZCQ-UHFFFAOYSA-N 0 0 491.411 0.644 20 30 JCEDRN Cn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480349646 1067858665 /nfs/dbraw/zinc/85/86/65/1067858665.db2.gz UMYVCRGZOIOADJ-UHFFFAOYSA-N 0 0 477.384 0.161 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000480487815 1070155663 /nfs/dbraw/zinc/15/56/63/1070155663.db2.gz DKTWPYOLGIARNN-UHFFFAOYSA-N 0 0 485.526 0.375 20 30 JCEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000480586393 1070161153 /nfs/dbraw/zinc/16/11/53/1070161153.db2.gz TUTRENKMQPPDKW-UHFFFAOYSA-N 0 0 476.511 0.951 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000480596037 1067866078 /nfs/dbraw/zinc/86/60/78/1067866078.db2.gz SMOIDMVRPNLRAZ-UHFFFAOYSA-N 0 0 461.500 0.433 20 30 JCEDRN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCCc3[nH]nc(N)c3C#N)c2)CC1 ZINC000480860635 1069597023 /nfs/dbraw/zinc/59/70/23/1069597023.db2.gz PAJDQMAIDSPCFA-UHFFFAOYSA-N 0 0 460.564 0.944 20 30 JCEDRN Cn1c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2oc1=O ZINC000480908052 1070171117 /nfs/dbraw/zinc/17/11/17/1070171117.db2.gz ASRYZTKPPSPOOF-UHFFFAOYSA-N 0 0 469.479 0.475 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)ccc1F ZINC000480968292 1070171944 /nfs/dbraw/zinc/17/19/44/1070171944.db2.gz DQKXZJNVYWNKAJ-UHFFFAOYSA-N 0 0 471.470 0.664 20 30 JCEDRN Cn1c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2oc1=O ZINC000481012396 1070173782 /nfs/dbraw/zinc/17/37/82/1070173782.db2.gz KJNOMQJKTARHCO-UHFFFAOYSA-N 0 0 469.479 0.475 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000481053430 1070174816 /nfs/dbraw/zinc/17/48/16/1070174816.db2.gz SRROZPSUGSMIJG-KBPBESRZSA-N 0 0 453.496 0.134 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000481053436 1070174963 /nfs/dbraw/zinc/17/49/63/1070174963.db2.gz SRROZPSUGSMIJG-OKILXGFUSA-N 0 0 453.496 0.134 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000481053438 1070174996 /nfs/dbraw/zinc/17/49/96/1070174996.db2.gz SRROZPSUGSMIJG-ZIAGYGMSSA-N 0 0 453.496 0.134 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F ZINC000481082641 1070175630 /nfs/dbraw/zinc/17/56/30/1070175630.db2.gz NCWTXUVOCBKSRQ-UHFFFAOYSA-N 0 0 460.491 0.299 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1F ZINC000481088370 1067958475 /nfs/dbraw/zinc/95/84/75/1067958475.db2.gz UOYCXWFUGBPITL-UHFFFAOYSA-N 0 0 474.470 0.940 20 30 JCEDRN N#Cc1ccccc1N1CCCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000481097920 1070176629 /nfs/dbraw/zinc/17/66/29/1070176629.db2.gz APSVHXOJQSRXDO-UHFFFAOYSA-N 0 0 455.496 0.852 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000481105515 1070177415 /nfs/dbraw/zinc/17/74/15/1070177415.db2.gz LRYQYOGHWXWBSF-UHFFFAOYSA-N 0 0 486.506 0.810 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000481425682 1070189919 /nfs/dbraw/zinc/18/99/19/1070189919.db2.gz UAYQWOQIADGZEE-UHFFFAOYSA-N 0 0 455.540 0.935 20 30 JCEDRN CN(CC(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000481441677 1070190816 /nfs/dbraw/zinc/19/08/16/1070190816.db2.gz FEXDFVRLLOJIPU-UHFFFAOYSA-N 0 0 455.540 0.622 20 30 JCEDRN N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1F ZINC000481661001 1070199008 /nfs/dbraw/zinc/19/90/08/1070199008.db2.gz VCESAZPOODSEPK-UHFFFAOYSA-N 0 0 467.504 0.883 20 30 JCEDRN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000481768757 1070203645 /nfs/dbraw/zinc/20/36/45/1070203645.db2.gz IORCBRHGYQOVKP-UHFFFAOYSA-N 0 0 480.524 0.269 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)cc1 ZINC000481774097 1070204384 /nfs/dbraw/zinc/20/43/84/1070204384.db2.gz INOUDSFQIDXZNT-UHFFFAOYSA-N 0 0 467.525 0.855 20 30 JCEDRN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000481801107 1070205013 /nfs/dbraw/zinc/20/50/13/1070205013.db2.gz QGXDEPLGBBADEQ-UHFFFAOYSA-N 0 0 465.509 0.563 20 30 JCEDRN Cn1c2nc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc2c(=O)n(C)c1=O ZINC000481825444 1070205769 /nfs/dbraw/zinc/20/57/69/1070205769.db2.gz NIVRYWPNMOBLHD-UHFFFAOYSA-N 0 0 461.438 0.714 20 30 JCEDRN Cn1c2ncn(CCC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2c(=O)n(C)c1=O ZINC000481827217 1070205574 /nfs/dbraw/zinc/20/55/74/1070205574.db2.gz XSUCNNNHHCPKCW-UHFFFAOYSA-N 0 0 478.469 0.292 20 30 JCEDRN CN(CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000482491220 1070208348 /nfs/dbraw/zinc/20/83/48/1070208348.db2.gz WCUDKBYTLJQXLN-UHFFFAOYSA-N 0 0 469.567 0.883 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 ZINC000482792533 1070214564 /nfs/dbraw/zinc/21/45/64/1070214564.db2.gz UVPXQEXWDVXCJM-UHFFFAOYSA-N 0 0 483.506 0.992 20 30 JCEDRN CN(CC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000482846779 1070215083 /nfs/dbraw/zinc/21/50/83/1070215083.db2.gz JPKQKBNYQLQLQC-UHFFFAOYSA-N 0 0 498.521 0.698 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000482933087 1070217082 /nfs/dbraw/zinc/21/70/82/1070217082.db2.gz OCJCKBBKAAMPDZ-UHFFFAOYSA-N 0 0 459.503 0.759 20 30 JCEDRN CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000483057436 1070218451 /nfs/dbraw/zinc/21/84/51/1070218451.db2.gz CCHSVOVNMVKKNG-UHFFFAOYSA-N 0 0 490.563 0.574 20 30 JCEDRN CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000483057961 1070218434 /nfs/dbraw/zinc/21/84/34/1070218434.db2.gz FGMJUHXSLRFZAD-UHFFFAOYSA-N 0 0 490.563 0.574 20 30 JCEDRN CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000483061255 1070218564 /nfs/dbraw/zinc/21/85/64/1070218564.db2.gz UVPJHJMKDOUANY-UHFFFAOYSA-N 0 0 490.563 0.574 20 30 JCEDRN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000483062044 1070219123 /nfs/dbraw/zinc/21/91/23/1070219123.db2.gz YPPFMWOIGWUMKB-UHFFFAOYSA-N 0 0 455.496 0.437 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000483115834 1070219153 /nfs/dbraw/zinc/21/91/53/1070219153.db2.gz HZRAUIUDUYBTIR-AEFFLSMTSA-N 0 0 486.510 0.334 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000483115835 1070219838 /nfs/dbraw/zinc/21/98/38/1070219838.db2.gz HZRAUIUDUYBTIR-WMZOPIPTSA-N 0 0 486.510 0.334 20 30 JCEDRN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc21 ZINC000483164065 1070219785 /nfs/dbraw/zinc/21/97/85/1070219785.db2.gz LVIUUDIRHLCEPE-UHFFFAOYSA-N 0 0 454.468 0.052 20 30 JCEDRN CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000483164806 1070220474 /nfs/dbraw/zinc/22/04/74/1070220474.db2.gz PUGNZHIPOGVQGZ-UHFFFAOYSA-N 0 0 490.563 0.574 20 30 JCEDRN CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000483164837 1070220580 /nfs/dbraw/zinc/22/05/80/1070220580.db2.gz QBBQVAUZYMODHY-UHFFFAOYSA-N 0 0 490.563 0.574 20 30 JCEDRN CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000483166502 1070220369 /nfs/dbraw/zinc/22/03/69/1070220369.db2.gz WWLOLLMGNCJTDA-UHFFFAOYSA-N 0 0 490.563 0.574 20 30 JCEDRN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000483166989 1070220458 /nfs/dbraw/zinc/22/04/58/1070220458.db2.gz ZFKGRALAWYPNFC-UHFFFAOYSA-N 0 0 455.496 0.437 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1 ZINC000484262745 1070234917 /nfs/dbraw/zinc/23/49/17/1070234917.db2.gz BVIZBWIPPPCHNC-INIZCTEOSA-N 0 0 454.599 0.969 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1 ZINC000484262754 1070234947 /nfs/dbraw/zinc/23/49/47/1070234947.db2.gz BVIZBWIPPPCHNC-MRXNPFEDSA-N 0 0 454.599 0.969 20 30 JCEDRN CN(CC(=O)N1CSC[C@H]1C(=O)N1CCSCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000484363531 1070236043 /nfs/dbraw/zinc/23/60/43/1070236043.db2.gz PXDHJGMYFIZSDR-INIZCTEOSA-N 0 0 454.599 0.656 20 30 JCEDRN CN(CC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000484363532 1070236284 /nfs/dbraw/zinc/23/62/84/1070236284.db2.gz PXDHJGMYFIZSDR-MRXNPFEDSA-N 0 0 454.599 0.656 20 30 JCEDRN C[C@](C#N)(NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC1 ZINC000484746474 1070243267 /nfs/dbraw/zinc/24/32/67/1070243267.db2.gz HJUBQRLLXBUHHV-JOCHJYFZSA-N 0 0 477.587 0.764 20 30 JCEDRN C[C@@](C#N)(NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC1 ZINC000484746475 1070243339 /nfs/dbraw/zinc/24/33/39/1070243339.db2.gz HJUBQRLLXBUHHV-QFIPXVFZSA-N 0 0 477.587 0.764 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)c1 ZINC000485474986 1070267808 /nfs/dbraw/zinc/26/78/08/1070267808.db2.gz MSKWHXLNBOXFOD-UHFFFAOYSA-N 0 0 461.569 0.927 20 30 JCEDRN CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000485897303 1070276053 /nfs/dbraw/zinc/27/60/53/1070276053.db2.gz ISCYPOHFNGASTQ-UHFFFAOYSA-N 0 0 469.566 0.657 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O ZINC000485914210 1070276748 /nfs/dbraw/zinc/27/67/48/1070276748.db2.gz BCTFNPNLMCKJOM-UHFFFAOYSA-N 0 0 483.550 0.745 20 30 JCEDRN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000485921409 1070276635 /nfs/dbraw/zinc/27/66/35/1070276635.db2.gz HBCRQEOWNNQPDC-UHFFFAOYSA-N 0 0 484.581 0.162 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(CC(=O)NC(C)C)CC3)n2c2ccccc2c1=O ZINC000485944709 1070277442 /nfs/dbraw/zinc/27/74/42/1070277442.db2.gz MFFVOSDZDXMOQU-UHFFFAOYSA-N 0 0 483.598 0.991 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000486056544 1070281053 /nfs/dbraw/zinc/28/10/53/1070281053.db2.gz WUCYKTFQNXHIDA-UHFFFAOYSA-N 0 0 470.617 0.470 20 30 JCEDRN Cn1c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2oc1=O ZINC000486100717 1070282374 /nfs/dbraw/zinc/28/23/74/1070282374.db2.gz CAPMPAZVVBARCU-UHFFFAOYSA-N 0 0 462.509 0.698 20 30 JCEDRN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000486102703 1070283253 /nfs/dbraw/zinc/28/32/53/1070283253.db2.gz KNZHPSHHVKYEII-UHFFFAOYSA-N 0 0 469.566 0.657 20 30 JCEDRN CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000486103136 1070283096 /nfs/dbraw/zinc/28/30/96/1070283096.db2.gz MMJGXNCEAVZIAS-UHFFFAOYSA-N 0 0 469.566 0.657 20 30 JCEDRN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000486104698 1070283169 /nfs/dbraw/zinc/28/31/69/1070283169.db2.gz QWLJYRXOOIIQKJ-UHFFFAOYSA-N 0 0 469.566 0.657 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)cc1 ZINC000486105956 1070282889 /nfs/dbraw/zinc/28/28/89/1070282889.db2.gz UHTASHSOEVAWOT-UHFFFAOYSA-N 0 0 475.508 0.608 20 30 JCEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000486271333 1070285383 /nfs/dbraw/zinc/28/53/83/1070285383.db2.gz RURJAZSJBVPHSF-NRFANRHFSA-N 0 0 467.551 0.830 20 30 JCEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000486271335 1070285054 /nfs/dbraw/zinc/28/50/54/1070285054.db2.gz RURJAZSJBVPHSF-OAQYLSRUSA-N 0 0 467.551 0.830 20 30 JCEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC(C(N)=O)C(N)=O)c1 ZINC000486520604 1070290512 /nfs/dbraw/zinc/29/05/12/1070290512.db2.gz SQVPFAZCMVAHRJ-UHFFFAOYSA-N 0 0 450.904 0.790 20 30 JCEDRN CN(CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000487263470 1070303654 /nfs/dbraw/zinc/30/36/54/1070303654.db2.gz VCFHIZLWARQMIF-UHFFFAOYSA-N 0 0 461.588 0.772 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)cc1 ZINC000487686193 1070310760 /nfs/dbraw/zinc/31/07/60/1070310760.db2.gz GKHGIPQXWOBKJC-UHFFFAOYSA-N 0 0 458.540 0.907 20 30 JCEDRN COCCCN(C(=O)Cn1cccc(C#N)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000487995279 1068032505 /nfs/dbraw/zinc/03/25/05/1068032505.db2.gz JANITGLDZCHRNR-UHFFFAOYSA-N 0 0 464.482 0.682 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)n(C)c1=O ZINC000488068022 1068071680 /nfs/dbraw/zinc/07/16/80/1068071680.db2.gz TVGGPWBGEBYDQT-UHFFFAOYSA-N 0 0 454.512 0.405 20 30 JCEDRN N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nnc(-c3cccs3)n2CCC(N)=O)c1 ZINC000488364431 1070320176 /nfs/dbraw/zinc/32/01/76/1070320176.db2.gz CSBOCPXTIALUFM-UHFFFAOYSA-N 0 0 458.525 0.844 20 30 JCEDRN N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(-c3cccs3)n2CCC(N)=O)cc1 ZINC000488371067 1070320083 /nfs/dbraw/zinc/32/00/83/1070320083.db2.gz NHHUFSWGOAYNGT-UHFFFAOYSA-N 0 0 458.525 0.844 20 30 JCEDRN Cn1c2ncc(S(=O)(=O)N3CCN(c4c(C#N)cnc5ccccc54)CC3)cc2c(=O)[nH]c1=O ZINC000488666590 1070321873 /nfs/dbraw/zinc/32/18/73/1070321873.db2.gz BSHJBIOOXQQKOM-UHFFFAOYSA-N 0 0 477.506 0.965 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 ZINC000488667472 1070322653 /nfs/dbraw/zinc/32/26/53/1070322653.db2.gz JCPMHYAEYMGSIP-UHFFFAOYSA-N 0 0 460.350 0.829 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1F ZINC000488699299 1070323549 /nfs/dbraw/zinc/32/35/49/1070323549.db2.gz LOGBFGFPHCDQRP-UHFFFAOYSA-N 0 0 488.544 0.040 20 30 JCEDRN Cn1c2ncc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2c(=O)[nH]c1=O ZINC000488723378 1070325115 /nfs/dbraw/zinc/32/51/15/1070325115.db2.gz JLGDOWSRKOJHAS-UHFFFAOYSA-N 0 0 468.495 0.945 20 30 JCEDRN N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F ZINC000488862854 1070329806 /nfs/dbraw/zinc/32/98/06/1070329806.db2.gz UYVIQZJSKDUTMK-UHFFFAOYSA-N 0 0 453.521 0.523 20 30 JCEDRN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cnc21 ZINC000488886818 1070330647 /nfs/dbraw/zinc/33/06/47/1070330647.db2.gz QUDYDWMGZAUNPY-UHFFFAOYSA-N 0 0 483.466 0.665 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 ZINC000488921435 1070331666 /nfs/dbraw/zinc/33/16/66/1070331666.db2.gz UFQLRHMZELIBTK-UHFFFAOYSA-N 0 0 473.555 0.951 20 30 JCEDRN Cn1c(=O)c(=Cc2ccccc2C(F)(F)F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000488967630 1069489057 /nfs/dbraw/zinc/48/90/57/1069489057.db2.gz DUEAWNFXNMMFAZ-UHFFFAOYSA-N 0 0 466.485 0.417 20 30 JCEDRN C=CCc1cc(C=c2sc(=CC(=O)OCC)n(CC(=O)N3CCOCC3)c2=O)cc(OC)c1O ZINC000488999134 1070333987 /nfs/dbraw/zinc/33/39/87/1070333987.db2.gz MGVNISVGURZFDD-UHFFFAOYSA-N 0 0 488.562 0.384 20 30 JCEDRN CCn1c(=O)c(=Cc2ccccc2C(F)(F)F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489001814 1070334025 /nfs/dbraw/zinc/33/40/25/1070334025.db2.gz OTDLHVBALSWDKE-UHFFFAOYSA-N 0 0 480.512 0.900 20 30 JCEDRN Cn1c2ncc(S(=O)(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2c(=O)[nH]c1=O ZINC000489005996 1070334900 /nfs/dbraw/zinc/33/49/00/1070334900.db2.gz YUCLPHTVNZTTFQ-UHFFFAOYSA-N 0 0 454.512 0.802 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489031073 1070334992 /nfs/dbraw/zinc/33/49/92/1070334992.db2.gz NCDAIHXISAQUBX-UHFFFAOYSA-N 0 0 478.521 0.483 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489056783 1070334443 /nfs/dbraw/zinc/33/44/43/1070334443.db2.gz XLQFCHUXNWVSDF-UHFFFAOYSA-N 0 0 490.532 0.649 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489064715 1070335475 /nfs/dbraw/zinc/33/54/75/1070335475.db2.gz FKTUDRWLIMVUFB-UHFFFAOYSA-N 0 0 454.596 0.970 20 30 JCEDRN CCn1c(=O)c(=Cc2cccc(C(F)(F)F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489072083 1070334463 /nfs/dbraw/zinc/33/44/63/1070334463.db2.gz OOESANXJKAUTJE-UHFFFAOYSA-N 0 0 480.512 0.900 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCN1CCOCC1 ZINC000489092302 1070335950 /nfs/dbraw/zinc/33/59/50/1070335950.db2.gz AYFAQYOHGNBSIV-UHFFFAOYSA-N 0 0 490.532 0.625 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCN1CCOCC1 ZINC000489093874 1070336373 /nfs/dbraw/zinc/33/63/73/1070336373.db2.gz HJNVXQHGJGUHRZ-UHFFFAOYSA-N 0 0 492.548 0.873 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCN1CCOCC1 ZINC000489094404 1070336392 /nfs/dbraw/zinc/33/63/92/1070336392.db2.gz JCKXOBOSQKMNPB-UHFFFAOYSA-N 0 0 492.548 0.871 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489094577 1070336676 /nfs/dbraw/zinc/33/66/76/1070336676.db2.gz MPYXWUWNFQYDBB-UHFFFAOYSA-N 0 0 454.596 0.970 20 30 JCEDRN CCCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489101814 1070336789 /nfs/dbraw/zinc/33/67/89/1070336789.db2.gz XHJFGCUCCNJWNT-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489103229 1070336553 /nfs/dbraw/zinc/33/65/53/1070336553.db2.gz JOUCKQMTYYLLHV-UHFFFAOYSA-N 0 0 492.548 0.873 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000489103626 1070336754 /nfs/dbraw/zinc/33/67/54/1070336754.db2.gz WCFNCLXYCVVWPD-INIZCTEOSA-N 0 0 479.505 0.956 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000489103627 1070336434 /nfs/dbraw/zinc/33/64/34/1070336434.db2.gz WCFNCLXYCVVWPD-MRXNPFEDSA-N 0 0 479.505 0.956 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCN1CCOCC1 ZINC000489103646 1070336413 /nfs/dbraw/zinc/33/64/13/1070336413.db2.gz WCYHORHZKAOLPF-UHFFFAOYSA-N 0 0 490.532 0.649 20 30 JCEDRN CCCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489104202 1070336769 /nfs/dbraw/zinc/33/67/69/1070336769.db2.gz PWBIYXCTHNXFJE-UHFFFAOYSA-N 0 0 458.559 0.800 20 30 JCEDRN N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000489107604 1070336694 /nfs/dbraw/zinc/33/66/94/1070336694.db2.gz ZKDZXYDYYABOCD-UHFFFAOYSA-N 0 0 479.537 0.918 20 30 JCEDRN Cn1c(=O)c(=Cc2cccc(C(F)(F)F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489125219 1070337022 /nfs/dbraw/zinc/33/70/22/1070337022.db2.gz FDFNUQYFVWYGQR-UHFFFAOYSA-N 0 0 466.485 0.417 20 30 JCEDRN N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000489125701 1070337394 /nfs/dbraw/zinc/33/73/94/1070337394.db2.gz GDYLHORWSSTBQF-UHFFFAOYSA-N 0 0 479.537 0.918 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCN3CCOCC3)c2=O)c1 ZINC000489126378 1070337440 /nfs/dbraw/zinc/33/74/40/1070337440.db2.gz IJOMRGZJHPNKLJ-UHFFFAOYSA-N 0 0 491.573 0.787 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489129267 1070337756 /nfs/dbraw/zinc/33/77/56/1070337756.db2.gz OIJCEUIWOSKTIG-UHFFFAOYSA-N 0 0 458.559 0.800 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000489147707 1070339208 /nfs/dbraw/zinc/33/92/08/1070339208.db2.gz LSOIYVKCQOWPDJ-UHFFFAOYSA-N 0 0 454.552 0.383 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489152278 1070338803 /nfs/dbraw/zinc/33/88/03/1070338803.db2.gz BECFEGBHUCHAFI-UHFFFAOYSA-N 0 0 498.605 0.448 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000489152659 1070339363 /nfs/dbraw/zinc/33/93/63/1070339363.db2.gz CFAOSSGNLHCCIE-UHFFFAOYSA-N 0 0 455.536 0.858 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C ZINC000489153019 1070339094 /nfs/dbraw/zinc/33/90/94/1070339094.db2.gz DBVBTRKSQRFQRA-UHFFFAOYSA-N 0 0 482.356 0.579 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cccc(OC)c1 ZINC000489158302 1070338324 /nfs/dbraw/zinc/33/83/24/1070338324.db2.gz QVPMVNRSLVUTMS-UHFFFAOYSA-N 0 0 493.541 0.960 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C ZINC000489158626 1070338505 /nfs/dbraw/zinc/33/85/05/1070338505.db2.gz SKPWUGZIYVIYKE-UHFFFAOYSA-N 0 0 496.383 0.969 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C ZINC000489159424 1070338540 /nfs/dbraw/zinc/33/85/40/1070338540.db2.gz VRPUNJVHDIUJTE-UHFFFAOYSA-N 0 0 468.329 0.189 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1C ZINC000489168771 1070339073 /nfs/dbraw/zinc/33/90/73/1070339073.db2.gz DUKMVYOWAJFWAP-UHFFFAOYSA-N 0 0 452.330 0.484 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2C)CC1 ZINC000489170100 1070339033 /nfs/dbraw/zinc/33/90/33/1070339033.db2.gz JUADNAWNHXUPJC-UHFFFAOYSA-N 0 0 491.411 0.885 20 30 JCEDRN COc1cccc(-n2c(=O)c(=Cc3ccsc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000489170501 1070338894 /nfs/dbraw/zinc/33/88/94/1070338894.db2.gz LNFSBEWCRGANFJ-UHFFFAOYSA-N 0 0 496.614 0.921 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(CCN2CCOCC2)c1=O ZINC000489171071 1070339285 /nfs/dbraw/zinc/33/92/85/1070339285.db2.gz NBEGVBPEAWWIOG-UHFFFAOYSA-N 0 0 491.573 0.787 20 30 JCEDRN COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O ZINC000489173899 1070339719 /nfs/dbraw/zinc/33/97/19/1070339719.db2.gz WHJUXKDSGPXLDW-UHFFFAOYSA-N 0 0 464.341 0.580 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1C ZINC000489174494 1070339473 /nfs/dbraw/zinc/33/94/73/1070339473.db2.gz YGMBWFWLENRTGO-UHFFFAOYSA-N 0 0 466.357 0.874 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(SC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489177676 1070339513 /nfs/dbraw/zinc/33/95/13/1070339513.db2.gz ISSJQXUSRYSWPV-UHFFFAOYSA-N 0 0 458.609 0.603 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(Br)ccc2OC)sc1=C(C#N)C(=O)NCCOC ZINC000489180041 1070339559 /nfs/dbraw/zinc/33/95/59/1070339559.db2.gz PILYMKDRUVAYTG-UHFFFAOYSA-N 0 0 466.357 0.966 20 30 JCEDRN CCCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489192133 1070339579 /nfs/dbraw/zinc/33/95/79/1070339579.db2.gz BAMZMISWKANOAP-UHFFFAOYSA-N 0 0 454.596 0.970 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489194235 1070339601 /nfs/dbraw/zinc/33/96/01/1070339601.db2.gz HINUWWGSYZXFIT-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN Cn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489195944 1070339791 /nfs/dbraw/zinc/33/97/91/1070339791.db2.gz LONGBGNPOLDXCX-UHFFFAOYSA-N 0 0 477.384 0.161 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3Br)c(=O)n2C)CC1 ZINC000489195975 1070339809 /nfs/dbraw/zinc/33/98/09/1070339809.db2.gz LYCAYECAUOANHX-UHFFFAOYSA-N 0 0 461.385 0.876 20 30 JCEDRN CCn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489198119 1070339773 /nfs/dbraw/zinc/33/97/73/1070339773.db2.gz UXJTZBGGAZABHB-UHFFFAOYSA-N 0 0 491.411 0.644 20 30 JCEDRN N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 ZINC000489198996 1070339844 /nfs/dbraw/zinc/33/98/44/1070339844.db2.gz UWYSRHMMSIPNSR-UHFFFAOYSA-N 0 0 467.576 0.840 20 30 JCEDRN Cn1c(=O)c(=Cc2c(Cl)cccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489201714 1070340491 /nfs/dbraw/zinc/34/04/91/1070340491.db2.gz YMHCFRLMEIUBIE-UHFFFAOYSA-N 0 0 467.378 0.705 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1C ZINC000489223837 1070340239 /nfs/dbraw/zinc/34/02/39/1070340239.db2.gz GXPCKTBXYVMWSQ-UHFFFAOYSA-N 0 0 453.467 0.713 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)ccc1OC(F)F ZINC000489224953 1070340370 /nfs/dbraw/zinc/34/03/70/1070340370.db2.gz JSQVBXXRHAEKJZ-CYBMUJFWSA-N 0 0 465.478 0.855 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)ccc1OC(F)F ZINC000489224956 1070340136 /nfs/dbraw/zinc/34/01/36/1070340136.db2.gz JSQVBXXRHAEKJZ-ZDUSSCGKSA-N 0 0 465.478 0.855 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)ccc1OC(F)F ZINC000489226387 1070340046 /nfs/dbraw/zinc/34/00/46/1070340046.db2.gz MXKJQYGLLNGIBB-UHFFFAOYSA-N 0 0 451.451 0.419 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)ccc1OC(F)F ZINC000489227711 1070340092 /nfs/dbraw/zinc/34/00/92/1070340092.db2.gz QBHOSVDJZBWANM-UHFFFAOYSA-N 0 0 494.520 0.008 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC(F)F)c(OC)c3)c(=O)n2C)CC1 ZINC000489231657 1070340419 /nfs/dbraw/zinc/34/04/19/1070340419.db2.gz YEIVQDCWOMOTPL-UHFFFAOYSA-N 0 0 478.521 0.724 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000489246216 1070340022 /nfs/dbraw/zinc/34/00/22/1070340022.db2.gz AYVDFBQTWBCMBJ-UHFFFAOYSA-N 0 0 465.478 0.902 20 30 JCEDRN COc1ccccc1CN(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000489249655 1070340282 /nfs/dbraw/zinc/34/02/82/1070340282.db2.gz ACXQCKCDNJBOFY-UHFFFAOYSA-N 0 0 472.567 0.894 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000489258154 1070340824 /nfs/dbraw/zinc/34/08/24/1070340824.db2.gz VIPPKQDWBFONQL-UHFFFAOYSA-N 0 0 453.467 0.805 20 30 JCEDRN CCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489263116 1070340733 /nfs/dbraw/zinc/34/07/33/1070340733.db2.gz XZAUWDXBEJWVSP-UHFFFAOYSA-N 0 0 478.521 0.483 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C1CC1 ZINC000489330527 1069515340 /nfs/dbraw/zinc/51/53/40/1069515340.db2.gz KNOWNWCPFKSILA-UHFFFAOYSA-N 0 0 490.532 0.798 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(c(Br)c2)OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000489577018 1070351227 /nfs/dbraw/zinc/35/12/27/1070351227.db2.gz KUEKFYCRTVWWAA-UHFFFAOYSA-N 0 0 492.351 0.853 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2Br)OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000489593574 1070353302 /nfs/dbraw/zinc/35/33/02/1070353302.db2.gz CUFVDQJJMQTUJT-UHFFFAOYSA-N 0 0 492.351 0.853 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489636246 1070360583 /nfs/dbraw/zinc/36/05/83/1070360583.db2.gz SJVAMWXLGMELDF-UHFFFAOYSA-N 0 0 476.549 0.940 20 30 JCEDRN CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N ZINC000489734880 1070363431 /nfs/dbraw/zinc/36/34/31/1070363431.db2.gz AIFDMFMBBQGJRX-GOSISDBHSA-N 0 0 468.601 0.931 20 30 JCEDRN CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N ZINC000489734898 1070363149 /nfs/dbraw/zinc/36/31/49/1070363149.db2.gz AIFDMFMBBQGJRX-SFHVURJKSA-N 0 0 468.601 0.931 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCN3CCCS3(=O)=O)n2c2ccccc2c1=O ZINC000490089538 1070368352 /nfs/dbraw/zinc/36/83/52/1070368352.db2.gz RXWMLGNVERMJRZ-UHFFFAOYSA-N 0 0 462.557 0.474 20 30 JCEDRN COCCn1cnc2c1c(=O)n(CC(=O)N1CCC(C#N)CC1)c(=O)n2Cc1ccccc1 ZINC000490123929 1070369879 /nfs/dbraw/zinc/36/98/79/1070369879.db2.gz GXUJJVYOVXLFDU-UHFFFAOYSA-N 0 0 450.499 0.817 20 30 JCEDRN N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1C#N ZINC000490147857 1070368962 /nfs/dbraw/zinc/36/89/62/1070368962.db2.gz AWVBWJGVLNOFBB-UHFFFAOYSA-N 0 0 453.528 0.621 20 30 JCEDRN CCOC(=O)C1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000490171528 1070370920 /nfs/dbraw/zinc/37/09/20/1070370920.db2.gz FHOSTHZVXYSXCK-UHFFFAOYSA-N 0 0 470.573 0.384 20 30 JCEDRN CCOC(=O)C1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000490172344 1070371011 /nfs/dbraw/zinc/37/10/11/1070371011.db2.gz NEPRCABKSOCONG-UHFFFAOYSA-N 0 0 470.573 0.384 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1=O ZINC000490365321 1070375472 /nfs/dbraw/zinc/37/54/72/1070375472.db2.gz KDTPZGVOPAITNH-UHFFFAOYSA-N 0 0 485.522 0.435 20 30 JCEDRN N#Cc1ccc(CN2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)cc1 ZINC000490644978 1070388541 /nfs/dbraw/zinc/38/85/41/1070388541.db2.gz BLTVUKWQGILBIW-UHFFFAOYSA-N 0 0 455.496 0.458 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CCC#N)CCN3CCOCC3)c2)CC1 ZINC000490646702 1070389048 /nfs/dbraw/zinc/38/90/48/1070389048.db2.gz AULKMAYKVPMDTJ-UHFFFAOYSA-N 0 0 477.587 0.227 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CCC#N)CCN2CCOCC2)cc1 ZINC000490650089 1070388860 /nfs/dbraw/zinc/38/88/60/1070388860.db2.gz KXEGNXQSAKEFBG-UHFFFAOYSA-N 0 0 451.549 0.340 20 30 JCEDRN CN1C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(=O)C12CCCCC2 ZINC000490720100 1070397710 /nfs/dbraw/zinc/39/77/10/1070397710.db2.gz GKCAQPZURXIANQ-UHFFFAOYSA-N 0 0 473.555 0.988 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000490743874 1070400122 /nfs/dbraw/zinc/40/01/22/1070400122.db2.gz GNXJISLRVBZCOH-UHFFFAOYSA-N 0 0 456.528 0.881 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)COCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)nc1 ZINC000490745482 1070400035 /nfs/dbraw/zinc/40/00/35/1070400035.db2.gz KYZSVMMXLFGYDY-UHFFFAOYSA-N 0 0 474.525 0.234 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)nc1 ZINC000490769481 1070401405 /nfs/dbraw/zinc/40/14/05/1070401405.db2.gz OOAUYSSKCFSGFV-UHFFFAOYSA-N 0 0 461.569 0.927 20 30 JCEDRN COc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000490769487 1070401607 /nfs/dbraw/zinc/40/16/07/1070401607.db2.gz OOVWFATWRJIJBC-UHFFFAOYSA-N 0 0 471.539 0.945 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)CSCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)nc1 ZINC000490776831 1070403318 /nfs/dbraw/zinc/40/33/18/1070403318.db2.gz YGAZYUDLWUFMEL-UHFFFAOYSA-N 0 0 490.593 0.951 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000490955882 1070422698 /nfs/dbraw/zinc/42/26/98/1070422698.db2.gz QCDZHNCLJNLLCS-UHFFFAOYSA-N 0 0 492.535 0.914 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000490965465 1070423754 /nfs/dbraw/zinc/42/37/54/1070423754.db2.gz MRGNZOZNFIRZEE-UHFFFAOYSA-N 0 0 492.535 0.914 20 30 JCEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)c2)c1 ZINC000491217501 1067755000 /nfs/dbraw/zinc/75/50/00/1067755000.db2.gz QBOINALAEKIFNY-UHFFFAOYSA-N 0 0 469.519 0.963 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000491727404 1067801070 /nfs/dbraw/zinc/80/10/70/1067801070.db2.gz CPIMZKMCJADCMS-UHFFFAOYSA-N 0 0 459.513 0.229 20 30 JCEDRN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000491739588 1067801113 /nfs/dbraw/zinc/80/11/13/1067801113.db2.gz KXTHCZJZIWSEGZ-UHFFFAOYSA-N 0 0 484.581 0.162 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000491781248 1067801750 /nfs/dbraw/zinc/80/17/50/1067801750.db2.gz CFCBOMNXJGRUPW-UHFFFAOYSA-N 0 0 459.513 0.229 20 30 JCEDRN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000491790867 1067801837 /nfs/dbraw/zinc/80/18/37/1067801837.db2.gz UAQQEVLRINLWMT-UHFFFAOYSA-N 0 0 484.581 0.162 20 30 JCEDRN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000491836145 1067802635 /nfs/dbraw/zinc/80/26/35/1067802635.db2.gz XLCRBVYRNAMQJY-KRWDZBQOSA-N 0 0 456.524 0.975 20 30 JCEDRN C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000491836146 1067802692 /nfs/dbraw/zinc/80/26/92/1067802692.db2.gz XLCRBVYRNAMQJY-QGZVFWFLSA-N 0 0 456.524 0.975 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)nc1 ZINC000492147821 1067808544 /nfs/dbraw/zinc/80/85/44/1067808544.db2.gz LACPTLLNMHLXOS-UHFFFAOYSA-N 0 0 456.528 0.400 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000492168597 1067809008 /nfs/dbraw/zinc/80/90/08/1067809008.db2.gz NQEKRYVKOYPXDJ-HNNXBMFYSA-N 0 0 456.528 0.927 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000492290977 1067811519 /nfs/dbraw/zinc/81/15/19/1067811519.db2.gz PLVXHNYWIOWICJ-UHFFFAOYSA-N 0 0 450.561 0.076 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000492291302 1067811616 /nfs/dbraw/zinc/81/16/16/1067811616.db2.gz QONYLODLOIAUNA-HDICACEKSA-N 0 0 464.588 0.545 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000492291303 1067811732 /nfs/dbraw/zinc/81/17/32/1067811732.db2.gz QONYLODLOIAUNA-QZTJIDSGSA-N 0 0 464.588 0.545 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000492291304 1067811645 /nfs/dbraw/zinc/81/16/45/1067811645.db2.gz QONYLODLOIAUNA-ROUUACIJSA-N 0 0 464.588 0.545 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1 ZINC000492335063 1067812821 /nfs/dbraw/zinc/81/28/21/1067812821.db2.gz BKNYGULZRPFIQY-UHFFFAOYSA-N 0 0 457.531 0.640 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000492336060 1067812949 /nfs/dbraw/zinc/81/29/49/1067812949.db2.gz LOFYXSLVKVOEIG-UHFFFAOYSA-N 0 0 464.588 0.736 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000492354948 1067813334 /nfs/dbraw/zinc/81/33/34/1067813334.db2.gz SMGMGMNBCDJRHE-AWEZNQCLSA-N 0 0 462.494 0.819 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000492354949 1067813245 /nfs/dbraw/zinc/81/32/45/1067813245.db2.gz SMGMGMNBCDJRHE-CQSZACIVSA-N 0 0 462.494 0.819 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 ZINC000492435218 1067814140 /nfs/dbraw/zinc/81/41/40/1067814140.db2.gz JSQUDVVRJXDAIL-UHFFFAOYSA-N 0 0 452.558 0.880 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000492436808 1067814057 /nfs/dbraw/zinc/81/40/57/1067814057.db2.gz RXXNKIIONMBFNZ-UHFFFAOYSA-N 0 0 454.618 0.912 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000492455641 1067814898 /nfs/dbraw/zinc/81/48/98/1067814898.db2.gz HEFXULOYBNYOCF-UHFFFAOYSA-N 0 0 453.565 0.139 20 30 JCEDRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000492942145 1067819767 /nfs/dbraw/zinc/81/97/67/1067819767.db2.gz AVAQDAKRTLEVEZ-GOSISDBHSA-N 0 0 468.601 0.985 20 30 JCEDRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000492942151 1067819704 /nfs/dbraw/zinc/81/97/04/1067819704.db2.gz AVAQDAKRTLEVEZ-SFHVURJKSA-N 0 0 468.601 0.985 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000493303727 1067822866 /nfs/dbraw/zinc/82/28/66/1067822866.db2.gz RYAAGBONSXXLDJ-UHFFFAOYSA-N 0 0 478.552 0.174 20 30 JCEDRN C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 ZINC000493506127 1067825512 /nfs/dbraw/zinc/82/55/12/1067825512.db2.gz DETFNJKBJLNNDC-INIZCTEOSA-N 0 0 482.322 0.843 20 30 JCEDRN C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 ZINC000493506128 1067825434 /nfs/dbraw/zinc/82/54/34/1067825434.db2.gz DETFNJKBJLNNDC-MRXNPFEDSA-N 0 0 482.322 0.843 20 30 JCEDRN N#CCCn1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494074733 1067833020 /nfs/dbraw/zinc/83/30/20/1067833020.db2.gz ZRPFIRRPUMOFOX-UHFFFAOYSA-N 0 0 495.496 0.515 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 ZINC000494103258 1067834562 /nfs/dbraw/zinc/83/45/62/1067834562.db2.gz LSZIUNMQIMSONW-UHFFFAOYSA-N 0 0 479.536 0.838 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(COc3ccccc3)n2)CC1 ZINC000494504937 1067841609 /nfs/dbraw/zinc/84/16/09/1067841609.db2.gz FDIWIQDJUHJNMH-UHFFFAOYSA-N 0 0 467.511 0.657 20 30 JCEDRN COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000494520387 1067841684 /nfs/dbraw/zinc/84/16/84/1067841684.db2.gz PDHGRAISABXGOW-UHFFFAOYSA-N 0 0 492.579 0.630 20 30 JCEDRN COCCOCC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000494520614 1067841703 /nfs/dbraw/zinc/84/17/03/1067841703.db2.gz QMRXAQROSQHGOC-UHFFFAOYSA-N 0 0 492.598 0.729 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000494522042 1067841641 /nfs/dbraw/zinc/84/16/41/1067841641.db2.gz WEUSUTXUFHBQNC-UHFFFAOYSA-N 0 0 463.541 0.155 20 30 JCEDRN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1OCC(N)=O ZINC000494537080 1067842219 /nfs/dbraw/zinc/84/22/19/1067842219.db2.gz RKJZWURAISKCHH-UHFFFAOYSA-N 0 0 458.496 0.578 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000494538066 1067842243 /nfs/dbraw/zinc/84/22/43/1067842243.db2.gz ZZFIQXBHCJHJKN-UHFFFAOYSA-N 0 0 476.316 0.905 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000494569346 1067842845 /nfs/dbraw/zinc/84/28/45/1067842845.db2.gz GVYUGKZEIDGIJD-UHFFFAOYSA-N 0 0 493.567 0.054 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000495198952 1067906023 /nfs/dbraw/zinc/90/60/23/1067906023.db2.gz CQEPMHSADQBRLR-UHFFFAOYSA-N 0 0 458.496 0.843 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000495216112 1067909009 /nfs/dbraw/zinc/90/90/09/1067909009.db2.gz AOHQGACKUNZDRC-UHFFFAOYSA-N 0 0 464.525 0.904 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000495216542 1067909040 /nfs/dbraw/zinc/90/90/40/1067909040.db2.gz DCWCYMVQSJVBPA-UHFFFAOYSA-N 0 0 453.480 0.910 20 30 JCEDRN Cn1c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2n(C)c1=O ZINC000495217877 1067909389 /nfs/dbraw/zinc/90/93/89/1067909389.db2.gz MACVIIGQMYVCBG-UHFFFAOYSA-N 0 0 482.522 0.220 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000495223061 1067912512 /nfs/dbraw/zinc/91/25/12/1067912512.db2.gz XXXPMJOFCZMVGF-UHFFFAOYSA-N 0 0 483.506 0.533 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC)CC2)c1 ZINC000495236377 1067913469 /nfs/dbraw/zinc/91/34/69/1067913469.db2.gz FJSYRHLDSCGHDS-UHFFFAOYSA-N 0 0 492.535 0.887 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000495267652 1067917517 /nfs/dbraw/zinc/91/75/17/1067917517.db2.gz MAGXTUOVCWUBST-UHFFFAOYSA-N 0 0 452.496 0.919 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc32)CC1 ZINC000495267780 1067918027 /nfs/dbraw/zinc/91/80/27/1067918027.db2.gz NCTCASSIROBKGB-UHFFFAOYSA-N 0 0 468.495 0.915 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000495272326 1067918743 /nfs/dbraw/zinc/91/87/43/1067918743.db2.gz KWTXEDRVGUPIPD-UHFFFAOYSA-N 0 0 472.523 0.984 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000495273412 1067917847 /nfs/dbraw/zinc/91/78/47/1067917847.db2.gz YHEPWAWWQFDFBK-UHFFFAOYSA-N 0 0 472.527 0.169 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000495284426 1067920340 /nfs/dbraw/zinc/92/03/40/1067920340.db2.gz WDFBNYSGRBNRDI-GASCZTMLSA-N 0 0 465.532 0.004 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000495284427 1067920251 /nfs/dbraw/zinc/92/02/51/1067920251.db2.gz WDFBNYSGRBNRDI-GJZGRUSLSA-N 0 0 465.532 0.004 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000495284428 1067920260 /nfs/dbraw/zinc/92/02/60/1067920260.db2.gz WDFBNYSGRBNRDI-HUUCEWRRSA-N 0 0 465.532 0.004 20 30 JCEDRN Cn1c2ncc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2c(=O)n(C)c1=O ZINC000495313898 1067930136 /nfs/dbraw/zinc/93/01/36/1067930136.db2.gz ASXOAXRSFJHDAU-UHFFFAOYSA-N 0 0 461.438 0.714 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000495319390 1067932983 /nfs/dbraw/zinc/93/29/83/1067932983.db2.gz NQHUUWDPHLQSGR-UHFFFAOYSA-N 0 0 473.467 0.947 20 30 JCEDRN Cn1c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2n(C)c1=O ZINC000495319657 1067933131 /nfs/dbraw/zinc/93/31/31/1067933131.db2.gz RJQFEGHLKXZGEC-UHFFFAOYSA-N 0 0 482.522 0.220 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000495319831 1067932710 /nfs/dbraw/zinc/93/27/10/1067932710.db2.gz UIEJMDWMGAQHHK-UHFFFAOYSA-N 0 0 453.480 0.910 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000495323289 1067932720 /nfs/dbraw/zinc/93/27/20/1067932720.db2.gz BXADKKQXVQXVNF-UHFFFAOYSA-N 0 0 473.467 0.947 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000495328111 1067935477 /nfs/dbraw/zinc/93/54/77/1067935477.db2.gz MPQAQTCAYKMVGL-UHFFFAOYSA-N 0 0 473.467 0.947 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000495408934 1067952569 /nfs/dbraw/zinc/95/25/69/1067952569.db2.gz NGPVXTRRZJXMET-UHFFFAOYSA-N 0 0 479.540 0.753 20 30 JCEDRN N#CCCn1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000496464744 1068086849 /nfs/dbraw/zinc/08/68/49/1068086849.db2.gz CSCMOVKLELGBNB-UHFFFAOYSA-N 0 0 481.513 0.989 20 30 JCEDRN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)cn1C ZINC000497226556 1068173547 /nfs/dbraw/zinc/17/35/47/1068173547.db2.gz GKXGYRDOLLZQCE-UHFFFAOYSA-N 0 0 457.560 0.745 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(CC(=O)NC)CC3)n2c2ccccc2c1=O ZINC000497341519 1068191184 /nfs/dbraw/zinc/19/11/84/1068191184.db2.gz ODRZWCLEWSGBAQ-UHFFFAOYSA-N 0 0 455.544 0.213 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000497356032 1068195201 /nfs/dbraw/zinc/19/52/01/1068195201.db2.gz MPYIKHMTNQNSFJ-UHFFFAOYSA-N 0 0 498.533 0.990 20 30 JCEDRN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)cn1C ZINC000497357018 1068195309 /nfs/dbraw/zinc/19/53/09/1068195309.db2.gz DHXLKHYQUDGFJB-UHFFFAOYSA-N 0 0 457.560 0.745 20 30 JCEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CC2)nc1 ZINC000497463332 1068225352 /nfs/dbraw/zinc/22/53/52/1068225352.db2.gz CMGYJWFRZJOOSR-JOCHJYFZSA-N 0 0 476.537 0.586 20 30 JCEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CC2)nc1 ZINC000497463333 1068225379 /nfs/dbraw/zinc/22/53/79/1068225379.db2.gz CMGYJWFRZJOOSR-QFIPXVFZSA-N 0 0 476.537 0.586 20 30 JCEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)nc1 ZINC000497484683 1068227153 /nfs/dbraw/zinc/22/71/53/1068227153.db2.gz DDTSIESNAJYMGO-UHFFFAOYSA-N 0 0 479.566 0.480 20 30 JCEDRN COCCN(C(=O)CN1CCN(c2ccc(C#N)cn2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000497487565 1068228514 /nfs/dbraw/zinc/22/85/14/1068228514.db2.gz CUQJLRZOCBYAKJ-UHFFFAOYSA-N 0 0 484.561 0.255 20 30 JCEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)nc1 ZINC000497489070 1068228488 /nfs/dbraw/zinc/22/84/88/1068228488.db2.gz QFODPDIOZROMKW-UHFFFAOYSA-N 0 0 472.546 0.747 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(c4ccc(C#N)cn4)CC3)CC2)cc1 ZINC000497490202 1068228549 /nfs/dbraw/zinc/22/85/49/1068228549.db2.gz WLZGIBCMLSCVMQ-UHFFFAOYSA-N 0 0 484.582 0.617 20 30 JCEDRN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000497500396 1068231571 /nfs/dbraw/zinc/23/15/71/1068231571.db2.gz NQQAIKJIYNGNOW-UHFFFAOYSA-N 0 0 459.528 0.988 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000497519008 1068241248 /nfs/dbraw/zinc/24/12/48/1068241248.db2.gz UCASDGSGMFTJRE-UHFFFAOYSA-N 0 0 466.560 0.591 20 30 JCEDRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(CCC#N)CCN2CCOCC2)CC1 ZINC000497519108 1068241944 /nfs/dbraw/zinc/24/19/44/1068241944.db2.gz UKPGIPNSAQINSD-UHFFFAOYSA-N 0 0 492.598 0.948 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(CCC#N)CCN1CCOCC1)n2C ZINC000497519772 1068241299 /nfs/dbraw/zinc/24/12/99/1068241299.db2.gz VUWCPWVFYWZTJF-UHFFFAOYSA-N 0 0 476.603 0.831 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)CCN1CCOCC1 ZINC000497520525 1068241917 /nfs/dbraw/zinc/24/19/17/1068241917.db2.gz NZGJXSUBXKVMKZ-UHFFFAOYSA-N 0 0 450.561 0.704 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1F ZINC000497551332 1068250725 /nfs/dbraw/zinc/25/07/25/1068250725.db2.gz FTLNVFGUVZIQRN-UHFFFAOYSA-N 0 0 499.593 0.755 20 30 JCEDRN N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000497551505 1068250790 /nfs/dbraw/zinc/25/07/90/1068250790.db2.gz JEWGAGCRRUQMCE-INIZCTEOSA-N 0 0 496.570 0.925 20 30 JCEDRN N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000497551506 1068250816 /nfs/dbraw/zinc/25/08/16/1068250816.db2.gz JEWGAGCRRUQMCE-MRXNPFEDSA-N 0 0 496.570 0.925 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2CCCSC)CC1 ZINC000497551603 1068250798 /nfs/dbraw/zinc/25/07/98/1068250798.db2.gz LKGZNIYUHJJDNP-UHFFFAOYSA-N 0 0 463.654 0.787 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000497551631 1068250770 /nfs/dbraw/zinc/25/07/70/1068250770.db2.gz MBQJWMMGBNICKK-UHFFFAOYSA-N 0 0 470.532 0.392 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000497551740 1068250028 /nfs/dbraw/zinc/25/00/28/1068250028.db2.gz OIBSQJFHZZHVPW-UHFFFAOYSA-N 0 0 495.630 0.869 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000497551874 1068250098 /nfs/dbraw/zinc/25/00/98/1068250098.db2.gz RHALUIFWOWUCKP-UHFFFAOYSA-N 0 0 452.517 0.932 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000497552029 1068251273 /nfs/dbraw/zinc/25/12/73/1068251273.db2.gz UXBOVVCDKDEEMA-UHFFFAOYSA-N 0 0 482.543 0.489 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000497552156 1068251361 /nfs/dbraw/zinc/25/13/61/1068251361.db2.gz XLCLITFOSGRIEI-UHFFFAOYSA-N 0 0 479.653 0.071 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000497552166 1068251393 /nfs/dbraw/zinc/25/13/93/1068251393.db2.gz XQBJLHHTZJMALR-UHFFFAOYSA-N 0 0 484.559 0.782 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000497552200 1068251329 /nfs/dbraw/zinc/25/13/29/1068251329.db2.gz YEJMCVXPJNIIRW-UHFFFAOYSA-N 0 0 452.517 0.908 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N ZINC000497554275 1068248405 /nfs/dbraw/zinc/24/84/05/1068248405.db2.gz AIRGREAPWPNYES-UHFFFAOYSA-N 0 0 492.586 0.179 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000497554724 1068248222 /nfs/dbraw/zinc/24/82/22/1068248222.db2.gz JIQCASDCDZXJRY-UHFFFAOYSA-N 0 0 469.548 0.580 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000497554810 1068248426 /nfs/dbraw/zinc/24/84/26/1068248426.db2.gz LMAPKECMIFZUQI-UHFFFAOYSA-N 0 0 481.559 0.676 20 30 JCEDRN C[C@@H](c1ccccc1)n1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000497554931 1068248328 /nfs/dbraw/zinc/24/83/28/1068248328.db2.gz NSAIYBVLMFMPQJ-KRWDZBQOSA-N 0 0 495.630 0.927 20 30 JCEDRN C[C@H](c1ccccc1)n1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000497554932 1068248421 /nfs/dbraw/zinc/24/84/21/1068248421.db2.gz NSAIYBVLMFMPQJ-QGZVFWFLSA-N 0 0 495.630 0.927 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000497561313 1068249393 /nfs/dbraw/zinc/24/93/93/1068249393.db2.gz CXQKKLSQANRHJJ-UHFFFAOYSA-N 0 0 481.603 0.615 20 30 JCEDRN Cc1ccccc1-n1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000497561458 1068249616 /nfs/dbraw/zinc/24/96/16/1068249616.db2.gz HBWRKUMMWDTTPL-UHFFFAOYSA-N 0 0 481.603 0.615 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1C ZINC000497561617 1068249549 /nfs/dbraw/zinc/24/95/49/1068249549.db2.gz KFRGGQOMKYIMLX-UHFFFAOYSA-N 0 0 495.630 0.924 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000497564913 1068250012 /nfs/dbraw/zinc/25/00/12/1068250012.db2.gz UNWWXNQJXZVMIE-UHFFFAOYSA-N 0 0 495.630 0.869 20 30 JCEDRN Cc1ccc(C)c(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000497572933 1068257210 /nfs/dbraw/zinc/25/72/10/1068257210.db2.gz KOHYUYVATIKTRX-UHFFFAOYSA-N 0 0 495.630 0.924 20 30 JCEDRN Cc1cccc(C)c1-n1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000497573129 1068257465 /nfs/dbraw/zinc/25/74/65/1068257465.db2.gz NUGLGPREQYXIST-UHFFFAOYSA-N 0 0 495.630 0.924 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1F ZINC000497573293 1068257375 /nfs/dbraw/zinc/25/73/75/1068257375.db2.gz QVVXUKLSQSNVCI-UHFFFAOYSA-N 0 0 460.487 0.996 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1 ZINC000497576384 1068252446 /nfs/dbraw/zinc/25/24/46/1068252446.db2.gz HWMCRRRHYNJWEM-UHFFFAOYSA-N 0 0 467.576 0.307 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000497576440 1068252476 /nfs/dbraw/zinc/25/24/76/1068252476.db2.gz JCTPNZYIIGRZMW-UHFFFAOYSA-N 0 0 461.613 0.460 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 ZINC000497576562 1068251807 /nfs/dbraw/zinc/25/18/07/1068251807.db2.gz LUZJLUBZSUSBDR-UHFFFAOYSA-N 0 0 485.566 0.446 20 30 JCEDRN Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCN2CCOCC2)c1 ZINC000497578766 1068252943 /nfs/dbraw/zinc/25/29/43/1068252943.db2.gz NQHROCREFWUUJS-UHFFFAOYSA-N 0 0 477.590 0.978 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000497580651 1068253538 /nfs/dbraw/zinc/25/35/38/1068253538.db2.gz ILIIYKKCUGMTHP-UHFFFAOYSA-N 0 0 467.576 0.840 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000497580653 1068253510 /nfs/dbraw/zinc/25/35/10/1068253510.db2.gz IMQBSELBTQCYLD-UHFFFAOYSA-N 0 0 459.597 0.260 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2-c2ccccc2C#N)CC1 ZINC000497580731 1068253546 /nfs/dbraw/zinc/25/35/46/1068253546.db2.gz KJFGQNGJKAYYPS-UHFFFAOYSA-N 0 0 476.587 0.894 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000497580784 1068253409 /nfs/dbraw/zinc/25/34/09/1068253409.db2.gz MDVIIIDZLBANSP-INIZCTEOSA-N 0 0 459.597 0.212 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000497580785 1068253367 /nfs/dbraw/zinc/25/33/67/1068253367.db2.gz MDVIIIDZLBANSP-MRXNPFEDSA-N 0 0 459.597 0.212 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000497581048 1068258704 /nfs/dbraw/zinc/25/87/04/1068258704.db2.gz RYKYLVPXSXYVHH-UHFFFAOYSA-N 0 0 496.570 0.813 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000497581280 1068258832 /nfs/dbraw/zinc/25/88/32/1068258832.db2.gz VQYQUUNJWLVTOP-AWEZNQCLSA-N 0 0 450.611 0.918 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000497581281 1068258777 /nfs/dbraw/zinc/25/87/77/1068258777.db2.gz VQYQUUNJWLVTOP-CQSZACIVSA-N 0 0 450.611 0.918 20 30 JCEDRN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000497591215 1068259804 /nfs/dbraw/zinc/25/98/04/1068259804.db2.gz WFSADIPVFUHOJN-UHFFFAOYSA-N 0 0 487.567 0.444 20 30 JCEDRN C=CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000497591308 1068260602 /nfs/dbraw/zinc/26/06/02/1068260602.db2.gz YHRAIUFWKVLUPV-IBGZPJMESA-N 0 0 455.577 0.358 20 30 JCEDRN C=CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000497591309 1068260330 /nfs/dbraw/zinc/26/03/30/1068260330.db2.gz YHRAIUFWKVLUPV-LJQANCHMSA-N 0 0 455.577 0.358 20 30 JCEDRN Cn1c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2n(C)c1=O ZINC000497595056 1068257960 /nfs/dbraw/zinc/25/79/60/1068257960.db2.gz HXFZWPUOOAEGOT-UHFFFAOYSA-N 0 0 475.552 0.444 20 30 JCEDRN Cn1c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2n(C)c1=O ZINC000497608209 1068263801 /nfs/dbraw/zinc/26/38/01/1068263801.db2.gz PSAYOBPOZQSKRO-UHFFFAOYSA-N 0 0 475.552 0.444 20 30 JCEDRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000497654787 1068288843 /nfs/dbraw/zinc/28/88/43/1068288843.db2.gz BWBQBRSRQOSYMH-KDURUIRLSA-N 0 0 475.615 0.827 20 30 JCEDRN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000497654788 1068288981 /nfs/dbraw/zinc/28/89/81/1068288981.db2.gz BWBQBRSRQOSYMH-OALUTQOASA-N 0 0 475.615 0.827 20 30 JCEDRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000497654789 1068288697 /nfs/dbraw/zinc/28/86/97/1068288697.db2.gz BWBQBRSRQOSYMH-RTBURBONSA-N 0 0 475.615 0.827 20 30 JCEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000497674470 1068291520 /nfs/dbraw/zinc/29/15/20/1068291520.db2.gz UYIJFXITEIRKAY-FQEVSTJZSA-N 0 0 451.468 0.905 20 30 JCEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000497674475 1068291410 /nfs/dbraw/zinc/29/14/10/1068291410.db2.gz UYIJFXITEIRKAY-HXUWFJFHSA-N 0 0 451.468 0.905 20 30 JCEDRN CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 ZINC000497752554 1068297281 /nfs/dbraw/zinc/29/72/81/1068297281.db2.gz DMJXVVGMYJQMLI-UHFFFAOYSA-N 0 0 482.609 0.994 20 30 JCEDRN CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 ZINC000497758457 1068301293 /nfs/dbraw/zinc/30/12/93/1068301293.db2.gz RXQKCVWHVHRXBH-UHFFFAOYSA-N 0 0 482.609 0.994 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000497765882 1068300317 /nfs/dbraw/zinc/30/03/17/1068300317.db2.gz JFPOAILQWOZGSB-NRFANRHFSA-N 0 0 470.511 0.527 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000497765887 1068300145 /nfs/dbraw/zinc/30/01/45/1068300145.db2.gz JFPOAILQWOZGSB-OAQYLSRUSA-N 0 0 470.511 0.527 20 30 JCEDRN N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 ZINC000497791656 1068304645 /nfs/dbraw/zinc/30/46/45/1068304645.db2.gz CGXMPHKYHXFAES-UHFFFAOYSA-N 0 0 477.568 0.485 20 30 JCEDRN CN(CC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 ZINC000497811994 1068305707 /nfs/dbraw/zinc/30/57/07/1068305707.db2.gz LKWCICWMZJHGHY-UHFFFAOYSA-N 0 0 461.544 0.940 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(S(=O)(=O)CC)CC3)n2c2ccccc2c1=O ZINC000497879694 1068315628 /nfs/dbraw/zinc/31/56/28/1068315628.db2.gz CFZABKRQCYDGBZ-UHFFFAOYSA-N 0 0 476.584 0.816 20 30 JCEDRN COc1ccc(CC(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000497889960 1068316155 /nfs/dbraw/zinc/31/61/55/1068316155.db2.gz LWUXBWQVOVNNCN-UHFFFAOYSA-N 0 0 480.587 0.333 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000497893212 1068316487 /nfs/dbraw/zinc/31/64/87/1068316487.db2.gz PIGOOJWIPCBCCM-UHFFFAOYSA-N 0 0 464.588 0.715 20 30 JCEDRN Cc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000497893539 1068316710 /nfs/dbraw/zinc/31/67/10/1068316710.db2.gz SMYDTJFGRIENIF-UHFFFAOYSA-N 0 0 450.561 0.704 20 30 JCEDRN COc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000497893951 1068316333 /nfs/dbraw/zinc/31/63/33/1068316333.db2.gz WZPPSKFKNROHPI-UHFFFAOYSA-N 0 0 466.560 0.404 20 30 JCEDRN CCS(=O)(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000497898080 1068317470 /nfs/dbraw/zinc/31/74/70/1068317470.db2.gz KYQKDIBNLQQPDS-UHFFFAOYSA-N 0 0 454.574 0.453 20 30 JCEDRN C=CCc1cc(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc(OC)c1OC ZINC000497953388 1068332599 /nfs/dbraw/zinc/33/25/99/1068332599.db2.gz FQARGNBTGGHSIY-UHFFFAOYSA-N 0 0 467.482 0.633 20 30 JCEDRN N#CCCn1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497967662 1068337639 /nfs/dbraw/zinc/33/76/39/1068337639.db2.gz OVNPLLUKNMAOSO-UHFFFAOYSA-N 0 0 481.513 0.989 20 30 JCEDRN C=CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000498018134 1068351105 /nfs/dbraw/zinc/35/11/05/1068351105.db2.gz ASEDUSNPNBGRQP-KRWDZBQOSA-N 0 0 472.585 0.460 20 30 JCEDRN C=CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000498018135 1068351217 /nfs/dbraw/zinc/35/12/17/1068351217.db2.gz ASEDUSNPNBGRQP-QGZVFWFLSA-N 0 0 472.585 0.460 20 30 JCEDRN C=CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@H]1CCS(=O)(=O)C1 ZINC000498018772 1068351530 /nfs/dbraw/zinc/35/15/30/1068351530.db2.gz JKIJUFASKXSNFO-HNNXBMFYSA-N 0 0 468.601 0.958 20 30 JCEDRN C=CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000498018773 1068351441 /nfs/dbraw/zinc/35/14/41/1068351441.db2.gz JKIJUFASKXSNFO-OAHLLOKOSA-N 0 0 468.601 0.958 20 30 JCEDRN C=CCN1C(=O)C(=O)N(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCC)C1=O ZINC000498025988 1068349338 /nfs/dbraw/zinc/34/93/38/1068349338.db2.gz LTJHUDQPMPLUBC-UHFFFAOYSA-N 0 0 475.527 0.944 20 30 JCEDRN C=CCN1C(=O)C(=O)N(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1=O ZINC000498027979 1068350032 /nfs/dbraw/zinc/35/00/32/1068350032.db2.gz QULARFFPLFTKQX-UHFFFAOYSA-N 0 0 461.500 0.554 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1 ZINC000498112547 1068366589 /nfs/dbraw/zinc/36/65/89/1068366589.db2.gz BAPAKZUGQWBHTR-UHFFFAOYSA-N 0 0 497.455 0.371 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c1 ZINC000498115772 1068368241 /nfs/dbraw/zinc/36/82/41/1068368241.db2.gz BNEZIYIEPJWOON-UHFFFAOYSA-N 0 0 461.500 0.462 20 30 JCEDRN CCCCn1c(Cn2c(=O)c(C#N)cn(C)c2=O)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000498125325 1068366298 /nfs/dbraw/zinc/36/62/98/1068366298.db2.gz FZWHSKHWGKUGNI-UHFFFAOYSA-N 0 0 461.482 0.927 20 30 JCEDRN CCCn1c(Cn2c(=O)c(C#N)cn(C)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000498127334 1068369654 /nfs/dbraw/zinc/36/96/54/1068369654.db2.gz SRTRCALGUKBTJD-UHFFFAOYSA-N 0 0 472.527 0.248 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000498142263 1068371152 /nfs/dbraw/zinc/37/11/52/1068371152.db2.gz ACINLKINHXGNEG-UHFFFAOYSA-N 0 0 463.563 0.429 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)CC1 ZINC000498178656 1068417065 /nfs/dbraw/zinc/41/70/65/1068417065.db2.gz PNSBSHKPANCNAO-UHFFFAOYSA-N 0 0 483.616 0.014 20 30 JCEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000498178931 1068417103 /nfs/dbraw/zinc/41/71/03/1068417103.db2.gz GRYCOTMJQSEYTJ-UHFFFAOYSA-N 0 0 465.576 0.362 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C[C@H](C)O1 ZINC000498179155 1068416286 /nfs/dbraw/zinc/41/62/86/1068416286.db2.gz VDMDQKGLACMSQO-HDICACEKSA-N 0 0 498.627 0.876 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C[C@@H](C)O1 ZINC000498179156 1068416206 /nfs/dbraw/zinc/41/62/06/1068416206.db2.gz VDMDQKGLACMSQO-QZTJIDSGSA-N 0 0 498.627 0.876 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C[C@H](C)O1 ZINC000498179157 1068417087 /nfs/dbraw/zinc/41/70/87/1068417087.db2.gz VDMDQKGLACMSQO-ROUUACIJSA-N 0 0 498.627 0.876 20 30 JCEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498187119 1068407726 /nfs/dbraw/zinc/40/77/26/1068407726.db2.gz YXDYYUWJPXONTC-CALCHBBNSA-N 0 0 466.608 0.844 20 30 JCEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000498187120 1068407737 /nfs/dbraw/zinc/40/77/37/1068407737.db2.gz YXDYYUWJPXONTC-IAGOWNOFSA-N 0 0 466.608 0.844 20 30 JCEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000498187121 1068407558 /nfs/dbraw/zinc/40/75/58/1068407558.db2.gz YXDYYUWJPXONTC-IRXDYDNUSA-N 0 0 466.608 0.844 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498332845 1068490584 /nfs/dbraw/zinc/49/05/84/1068490584.db2.gz BGXYDDDARWNZAA-UHFFFAOYSA-N 0 0 486.510 0.799 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000498334931 1068489872 /nfs/dbraw/zinc/48/98/72/1068489872.db2.gz IPYHOGYWMRLJMQ-UHFFFAOYSA-N 0 0 486.510 0.799 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1=O ZINC000498472575 1068534779 /nfs/dbraw/zinc/53/47/79/1068534779.db2.gz KZOYPAJPAKATJX-UHFFFAOYSA-N 0 0 477.403 0.782 20 30 JCEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000498525544 1068563097 /nfs/dbraw/zinc/56/30/97/1068563097.db2.gz KMZCUBDVONJYSF-UHFFFAOYSA-N 0 0 495.496 0.944 20 30 JCEDRN N#CCCn1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498525620 1068563145 /nfs/dbraw/zinc/56/31/45/1068563145.db2.gz KXYRIJIZDNTOAL-UHFFFAOYSA-N 0 0 465.470 0.935 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000498573811 1068598036 /nfs/dbraw/zinc/59/80/36/1068598036.db2.gz UXYFQORVYNWEOK-UHFFFAOYSA-N 0 0 488.551 0.246 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000498584042 1068606490 /nfs/dbraw/zinc/60/64/90/1068606490.db2.gz NIEBVNSQTXWRPH-UHFFFAOYSA-N 0 0 488.551 0.246 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000498741114 1068687072 /nfs/dbraw/zinc/68/70/72/1068687072.db2.gz SAHWMCMBIPPGRE-UHFFFAOYSA-N 0 0 455.540 0.723 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000498746995 1068689666 /nfs/dbraw/zinc/68/96/66/1068689666.db2.gz RPSRCVJBCWYRAD-UHFFFAOYSA-N 0 0 470.555 0.742 20 30 JCEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)CC2)nc1 ZINC000498814546 1068711419 /nfs/dbraw/zinc/71/14/19/1068711419.db2.gz AQDPMGKNERJKSK-UHFFFAOYSA-N 0 0 472.546 0.747 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)C1=O ZINC000499028538 1068769479 /nfs/dbraw/zinc/76/94/79/1068769479.db2.gz XZULKUMMNMJUFM-KRWDZBQOSA-N 0 0 462.890 0.675 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)C1=O ZINC000499028542 1068769514 /nfs/dbraw/zinc/76/95/14/1068769514.db2.gz XZULKUMMNMJUFM-QGZVFWFLSA-N 0 0 462.890 0.675 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)C1=O ZINC000499036993 1068787038 /nfs/dbraw/zinc/78/70/38/1068787038.db2.gz JGQJFVAUHJLFSU-UHFFFAOYSA-N 0 0 485.522 0.353 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000499102031 1068796238 /nfs/dbraw/zinc/79/62/38/1068796238.db2.gz PSNMNCRENRCCJA-UHFFFAOYSA-N 0 0 497.430 0.645 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000499114443 1068796402 /nfs/dbraw/zinc/79/64/02/1068796402.db2.gz XUHYARBGAZSMLT-UHFFFAOYSA-N 0 0 488.444 0.515 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)C1=O ZINC000499245958 1068833353 /nfs/dbraw/zinc/83/33/53/1068833353.db2.gz BOKODDBPFFWPKI-UHFFFAOYSA-N 0 0 477.524 0.976 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000499332103 1068843655 /nfs/dbraw/zinc/84/36/55/1068843655.db2.gz VAEXHNXMKPNXND-GOSISDBHSA-N 0 0 453.565 0.767 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000499332104 1068844000 /nfs/dbraw/zinc/84/40/00/1068844000.db2.gz VAEXHNXMKPNXND-SFHVURJKSA-N 0 0 453.565 0.767 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(CCC#N)CCN2CCOCC2)CC1 ZINC000499333937 1068847185 /nfs/dbraw/zinc/84/71/85/1068847185.db2.gz WAWZAPKVSNAODK-UHFFFAOYSA-N 0 0 453.565 0.767 20 30 JCEDRN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(CCC#N)CCN3CCOCC3)CC2)c1 ZINC000499336008 1068847129 /nfs/dbraw/zinc/84/71/29/1068847129.db2.gz MVFKVCCLHBQFQD-UHFFFAOYSA-N 0 0 463.604 0.521 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000499338698 1068848028 /nfs/dbraw/zinc/84/80/28/1068848028.db2.gz WAVIYMADUYKNNR-UHFFFAOYSA-N 0 0 456.590 0.386 20 30 JCEDRN Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CCC#N)CCN3CCOCC3)CC2)cn1C ZINC000499344086 1069143713 /nfs/dbraw/zinc/14/37/13/1069143713.db2.gz PDFGDERYEPUOQL-UHFFFAOYSA-N 0 0 452.581 0.204 20 30 JCEDRN Cn1c2ncn(CC(=O)N3CCN(c4c(C#N)cnc5ccccc54)CC3)c2c(=O)n(C)c1=O ZINC000499482137 1069488466 /nfs/dbraw/zinc/48/84/66/1069488466.db2.gz WPPSZFNQJFHYQA-UHFFFAOYSA-N 0 0 458.482 0.202 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3c(C#N)cnc4ccccc43)CC1)c(=O)n2C ZINC000499519428 1069489641 /nfs/dbraw/zinc/48/96/41/1069489641.db2.gz KZHAALUYKZOGTG-UHFFFAOYSA-N 0 0 458.482 0.202 20 30 JCEDRN COCCOCC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000499812313 1069524623 /nfs/dbraw/zinc/52/46/23/1069524623.db2.gz NBFNMWVTJQVEOH-UHFFFAOYSA-N 0 0 492.598 0.729 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(C)CCC#N ZINC000500022509 1067978692 /nfs/dbraw/zinc/97/86/92/1067978692.db2.gz NSJGYISZLCVHRH-UHFFFAOYSA-N 0 0 470.573 0.760 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000500040907 1067979069 /nfs/dbraw/zinc/97/90/69/1067979069.db2.gz PPLPQFUQVRMWBA-AEFFLSMTSA-N 0 0 467.551 0.791 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000500040908 1067979085 /nfs/dbraw/zinc/97/90/85/1067979085.db2.gz PPLPQFUQVRMWBA-FUHWJXTLSA-N 0 0 467.551 0.791 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000500040909 1067979043 /nfs/dbraw/zinc/97/90/43/1067979043.db2.gz PPLPQFUQVRMWBA-SJLPKXTDSA-N 0 0 467.551 0.791 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000500040910 1067978983 /nfs/dbraw/zinc/97/89/83/1067978983.db2.gz PPLPQFUQVRMWBA-WMZOPIPTSA-N 0 0 467.551 0.791 20 30 JCEDRN Cn1c2ncn(CCC(=O)N3CCN(c4c(C#N)cnc5ccccc54)CC3)c2c(=O)n(C)c1=O ZINC000500061797 1067980119 /nfs/dbraw/zinc/98/01/19/1067980119.db2.gz RHWJTMYZKUGTTC-UHFFFAOYSA-N 0 0 472.509 0.592 20 30 JCEDRN N#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000500200323 1067987352 /nfs/dbraw/zinc/98/73/52/1067987352.db2.gz RXGCGWPQWRMGTD-UHFFFAOYSA-N 0 0 463.541 0.422 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000500318399 1068003188 /nfs/dbraw/zinc/00/31/88/1068003188.db2.gz ASLSRSSDJIJKEM-UHFFFAOYSA-N 0 0 466.498 0.972 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OCC)sc1=C(C#N)C(=O)NCCOC ZINC000500490189 1068096218 /nfs/dbraw/zinc/09/62/18/1068096218.db2.gz KSDPJJSTDKRJHX-UHFFFAOYSA-N 0 0 458.496 0.668 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2S(=O)(=O)N2CCOCC2)sc1=C(C#N)C(=O)C(C)C ZINC000500491883 1068095986 /nfs/dbraw/zinc/09/59/86/1068095986.db2.gz OMLOLMUBDTZRKT-UHFFFAOYSA-N 0 0 487.603 0.845 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000500492832 1068095891 /nfs/dbraw/zinc/09/58/91/1068095891.db2.gz BRZDZIKAZHJTDY-UHFFFAOYSA-N 0 0 492.579 0.866 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OCC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000500493192 1068095953 /nfs/dbraw/zinc/09/59/53/1068095953.db2.gz SHYLSKMXFWNSQU-UHFFFAOYSA-N 0 0 470.507 0.765 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000500496053 1068096464 /nfs/dbraw/zinc/09/64/64/1068096464.db2.gz JVQYMUFJMVSRTQ-UHFFFAOYSA-N 0 0 460.516 0.269 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OCC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000500520936 1068098453 /nfs/dbraw/zinc/09/84/53/1068098453.db2.gz QVMIKLHKUHSPBN-UHFFFAOYSA-N 0 0 472.523 0.989 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OCC)sc1=C(C#N)C(=O)NCCOC ZINC000500524171 1068098534 /nfs/dbraw/zinc/09/85/34/1068098534.db2.gz VEFRHJXSYQOLCX-UHFFFAOYSA-N 0 0 460.512 0.892 20 30 JCEDRN Cn1c(=O)c(=Cc2ccccc2S(=O)(=O)N2CCOCC2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000500530563 1068098899 /nfs/dbraw/zinc/09/88/99/1068098899.db2.gz AHFQGJQJGPPZNN-UHFFFAOYSA-N 0 0 495.582 0.854 20 30 JCEDRN Cn1c(=O)c(=Cc2ccccc2S(=O)(=O)N2CCOCC2)sc1=C(C#N)C(=O)CC(C)(C)C ZINC000500535936 1068099018 /nfs/dbraw/zinc/09/90/18/1068099018.db2.gz JDLUOLUPYJCWDI-UHFFFAOYSA-N 0 0 489.619 0.976 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2S(=O)(=O)N2CCOCC2)c(=O)n1C ZINC000500539223 1068099379 /nfs/dbraw/zinc/09/93/79/1068099379.db2.gz PCVAPJDNPHXKQU-UHFFFAOYSA-N 0 0 461.565 0.196 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1C ZINC000500542825 1068099344 /nfs/dbraw/zinc/09/93/44/1068099344.db2.gz BKYBRHGDCBVTCY-UHFFFAOYSA-N 0 0 460.512 0.800 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O ZINC000500543693 1068099265 /nfs/dbraw/zinc/09/92/65/1068099265.db2.gz GSABOPHFOZDGMI-HNNXBMFYSA-N 0 0 458.496 0.552 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O ZINC000500543694 1068099536 /nfs/dbraw/zinc/09/95/36/1068099536.db2.gz GSABOPHFOZDGMI-OAHLLOKOSA-N 0 0 458.496 0.552 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(C)c1=O ZINC000500547305 1068099442 /nfs/dbraw/zinc/09/94/42/1068099442.db2.gz XSCBQJHOUOJMLS-UHFFFAOYSA-N 0 0 471.539 0.421 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC)c1=O ZINC000500550342 1068099699 /nfs/dbraw/zinc/09/96/99/1068099699.db2.gz DAGAJVJEHJORJF-UHFFFAOYSA-N 0 0 458.496 0.598 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(CC)c1=O ZINC000500551457 1068099893 /nfs/dbraw/zinc/09/98/93/1068099893.db2.gz GUOJMIJSBGXMTE-UHFFFAOYSA-N 0 0 485.566 0.904 20 30 JCEDRN CCn1c(=O)c(=Cc2ccccc2S(=O)(=O)N2CCOCC2)sc1=C(C#N)C(=O)C(C)C ZINC000500555150 1068099960 /nfs/dbraw/zinc/09/99/60/1068099960.db2.gz OCZLWTWITHZYSQ-UHFFFAOYSA-N 0 0 475.592 0.679 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC)c1=O ZINC000500560864 1068100637 /nfs/dbraw/zinc/10/06/37/1068100637.db2.gz ZCSVGTXUEVFLIS-UHFFFAOYSA-N 0 0 460.512 0.892 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2S(=O)(=O)N2CCOCC2)c(=O)n1C1CC1 ZINC000500561032 1068100528 /nfs/dbraw/zinc/10/05/28/1068100528.db2.gz IZJWFTOMCHYSOQ-UHFFFAOYSA-N 0 0 487.603 0.994 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O ZINC000500567121 1068100448 /nfs/dbraw/zinc/10/04/48/1068100448.db2.gz WXXNAJYUCOSWOC-UHFFFAOYSA-N 0 0 470.507 0.913 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CC2)c1=O ZINC000500570229 1068100556 /nfs/dbraw/zinc/10/05/56/1068100556.db2.gz ORLCDVFQQVMNLZ-UHFFFAOYSA-N 0 0 458.496 0.817 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000500601166 1068102660 /nfs/dbraw/zinc/10/26/60/1068102660.db2.gz MFEMUZBIPLSQJH-FQEVSTJZSA-N 0 0 482.610 0.560 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000500601167 1068102392 /nfs/dbraw/zinc/10/23/92/1068102392.db2.gz MFEMUZBIPLSQJH-HXUWFJFHSA-N 0 0 482.610 0.560 20 30 JCEDRN COCCn1c(N)c(C(=O)CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c(=O)[nH]c1=O ZINC000500667725 1068107395 /nfs/dbraw/zinc/10/73/95/1068107395.db2.gz SRBWCZSIFMTTNI-UHFFFAOYSA-N 0 0 463.498 0.602 20 30 JCEDRN CN1CCN(C(=O)CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 ZINC000501009951 1068274172 /nfs/dbraw/zinc/27/41/72/1068274172.db2.gz GQTBVCORCVZYIS-UHFFFAOYSA-N 0 0 456.526 0.861 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000501106792 1068280838 /nfs/dbraw/zinc/28/08/38/1068280838.db2.gz DSVRZFOXCVZKJP-UHFFFAOYSA-N 0 0 491.596 0.231 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000501111681 1068281985 /nfs/dbraw/zinc/28/19/85/1068281985.db2.gz MXWFYNLCFWKDMP-UHFFFAOYSA-N 0 0 487.582 0.252 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000501120925 1069930958 /nfs/dbraw/zinc/93/09/58/1069930958.db2.gz LAVFPKJAUSVPCK-INIZCTEOSA-N 0 0 456.528 0.241 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000501120928 1068283316 /nfs/dbraw/zinc/28/33/16/1068283316.db2.gz LAVFPKJAUSVPCK-MRXNPFEDSA-N 0 0 456.528 0.241 20 30 JCEDRN COCCN(C(=O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000501121735 1068283293 /nfs/dbraw/zinc/28/32/93/1068283293.db2.gz NAFHNQNIVHDMLV-IBGZPJMESA-N 0 0 471.583 0.891 20 30 JCEDRN COCCN(C(=O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501121736 1068283124 /nfs/dbraw/zinc/28/31/24/1068283124.db2.gz NAFHNQNIVHDMLV-LJQANCHMSA-N 0 0 471.583 0.891 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OCCOC)cc3)c(=O)n2C2CC2)CC1 ZINC000501160789 1068284210 /nfs/dbraw/zinc/28/42/10/1068284210.db2.gz BEJXRUOVDWIPBF-UHFFFAOYSA-N 0 0 482.606 0.937 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000501168340 1068284849 /nfs/dbraw/zinc/28/48/49/1068284849.db2.gz XTAZRMSWHRBVBC-UHFFFAOYSA-N 0 0 493.607 0.212 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1 ZINC000501170685 1068284735 /nfs/dbraw/zinc/28/47/35/1068284735.db2.gz CFWKKJLMVAJPJT-UHFFFAOYSA-N 0 0 455.536 0.632 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C3CC3)c2=O)cc1 ZINC000501171196 1068284830 /nfs/dbraw/zinc/28/48/30/1068284830.db2.gz DZRQJAZYSKCBJG-HNNXBMFYSA-N 0 0 457.552 0.924 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C3CC3)c2=O)cc1 ZINC000501171197 1068285019 /nfs/dbraw/zinc/28/50/19/1068285019.db2.gz DZRQJAZYSKCBJG-OAHLLOKOSA-N 0 0 457.552 0.924 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000501172659 1068284952 /nfs/dbraw/zinc/28/49/52/1068284952.db2.gz IREGSABUJXAKLF-IBGZPJMESA-N 0 0 469.563 0.896 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000501172664 1068284673 /nfs/dbraw/zinc/28/46/73/1068284673.db2.gz IREGSABUJXAKLF-LJQANCHMSA-N 0 0 469.563 0.896 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000501172995 1068285568 /nfs/dbraw/zinc/28/55/68/1068285568.db2.gz JSZLSRHPCUZHGJ-FQEVSTJZSA-N 0 0 499.589 0.476 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000501172996 1068285538 /nfs/dbraw/zinc/28/55/38/1068285538.db2.gz JSZLSRHPCUZHGJ-HXUWFJFHSA-N 0 0 499.589 0.476 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1 ZINC000501173402 1068285552 /nfs/dbraw/zinc/28/55/52/1068285552.db2.gz JNDFSBKTDQWPFO-UHFFFAOYSA-N 0 0 471.579 0.953 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000501174286 1068285406 /nfs/dbraw/zinc/28/54/06/1068285406.db2.gz MNIQDONHIKXANF-IBGZPJMESA-N 0 0 469.563 0.919 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000501174295 1068285420 /nfs/dbraw/zinc/28/54/20/1068285420.db2.gz MNIQDONHIKXANF-LJQANCHMSA-N 0 0 469.563 0.919 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 ZINC000501175292 1068285502 /nfs/dbraw/zinc/28/55/02/1068285502.db2.gz PVFDZCOPYVDQJO-UHFFFAOYSA-N 0 0 498.605 0.221 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OCCOC)cc3)c(=O)n2C)CC1 ZINC000501177024 1068285304 /nfs/dbraw/zinc/28/53/04/1068285304.db2.gz UXUIFPSEIDOTCS-UHFFFAOYSA-N 0 0 456.568 0.139 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000501215314 1068287075 /nfs/dbraw/zinc/28/70/75/1068287075.db2.gz CXVGXSRJXVSSDP-UHFFFAOYSA-N 0 0 498.605 0.049 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000501219665 1068285995 /nfs/dbraw/zinc/28/59/95/1068285995.db2.gz VVRZJZTVKBFNTK-UHFFFAOYSA-N 0 0 485.606 0.995 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000501221836 1068286660 /nfs/dbraw/zinc/28/66/60/1068286660.db2.gz NLVWTSUQMPVBBS-UHFFFAOYSA-N 0 0 470.595 0.622 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000501243600 1068288406 /nfs/dbraw/zinc/28/84/06/1068288406.db2.gz IDMPRZFNFPKNEU-UHFFFAOYSA-N 0 0 482.606 0.788 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501256301 1068290649 /nfs/dbraw/zinc/29/06/49/1068290649.db2.gz GYZGUZSAGNGVQH-IBGZPJMESA-N 0 0 469.563 0.919 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501256302 1068290834 /nfs/dbraw/zinc/29/08/34/1068290834.db2.gz GYZGUZSAGNGVQH-LJQANCHMSA-N 0 0 469.563 0.919 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501257815 1068290849 /nfs/dbraw/zinc/29/08/49/1068290849.db2.gz LLIZZKCNTPZNRT-UHFFFAOYSA-N 0 0 455.536 0.483 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1cnn(CC)c1 ZINC000501258510 1068291365 /nfs/dbraw/zinc/29/13/65/1068291365.db2.gz OLAVLKRTESYOKX-UHFFFAOYSA-N 0 0 479.562 0.946 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OCCOC)cc3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000501259975 1068291339 /nfs/dbraw/zinc/29/13/39/1068291339.db2.gz RZGRPPZOKOAWTD-UHFFFAOYSA-N 0 0 479.562 0.922 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501261341 1068291915 /nfs/dbraw/zinc/29/19/15/1068291915.db2.gz WPPVNAFVDHSZML-GOSISDBHSA-N 0 0 457.552 0.753 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501261342 1068291843 /nfs/dbraw/zinc/29/18/43/1068291843.db2.gz WPPVNAFVDHSZML-SFHVURJKSA-N 0 0 457.552 0.753 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501294549 1068297367 /nfs/dbraw/zinc/29/73/67/1068297367.db2.gz FVDKUGNOFSTFLA-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000501295523 1068297229 /nfs/dbraw/zinc/29/72/29/1068297229.db2.gz RVCVQHTUUXGOAU-UHFFFAOYSA-N 0 0 475.571 0.154 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000501295634 1068297216 /nfs/dbraw/zinc/29/72/16/1068297216.db2.gz OZWSPKUZHLBNJE-UHFFFAOYSA-N 0 0 454.508 0.361 20 30 JCEDRN Cn1c2ncc(NC(=O)C(=O)N3CCN(c4c(C#N)cnc5ccccc54)CC3)cc2c(=O)n(C)c1=O ZINC000501297223 1068297168 /nfs/dbraw/zinc/29/71/68/1068297168.db2.gz DCLQYNZGGYHMSJ-UHFFFAOYSA-N 0 0 498.503 0.339 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000501326808 1068300871 /nfs/dbraw/zinc/30/08/71/1068300871.db2.gz QNRFWWDCESMDIH-UHFFFAOYSA-N 0 0 485.504 0.609 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000501361924 1068302192 /nfs/dbraw/zinc/30/21/92/1068302192.db2.gz MRDPLBAPLQFITH-UHFFFAOYSA-N 0 0 484.520 0.725 20 30 JCEDRN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)cn1C ZINC000501369162 1068302717 /nfs/dbraw/zinc/30/27/17/1068302717.db2.gz FJZOESJQQOPDCZ-UHFFFAOYSA-N 0 0 457.560 0.745 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)CC2)c1 ZINC000501453133 1068306746 /nfs/dbraw/zinc/30/67/46/1068306746.db2.gz RCTWALHQKQOGPC-UHFFFAOYSA-N 0 0 461.526 0.942 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)CC2)nc1 ZINC000501475141 1068308821 /nfs/dbraw/zinc/30/88/21/1068308821.db2.gz FAZDSSDUTACLPJ-UHFFFAOYSA-N 0 0 461.526 0.942 20 30 JCEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000501514078 1068313064 /nfs/dbraw/zinc/31/30/64/1068313064.db2.gz OKOSJZNFYWIDHZ-UHFFFAOYSA-N 0 0 455.544 0.669 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC1 ZINC000501516499 1068313613 /nfs/dbraw/zinc/31/36/13/1068313613.db2.gz ISOCALOSCXJKHB-UHFFFAOYSA-N 0 0 461.526 0.942 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000501574965 1068315963 /nfs/dbraw/zinc/31/59/63/1068315963.db2.gz VANIUWZAOJAAOE-UHFFFAOYSA-N 0 0 473.599 0.726 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000501583248 1068315669 /nfs/dbraw/zinc/31/56/69/1068315669.db2.gz WFIJDHCVMLNCKD-UHFFFAOYSA-N 0 0 461.588 0.773 20 30 JCEDRN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000501584139 1068315565 /nfs/dbraw/zinc/31/55/65/1068315565.db2.gz ZDXPERQQTJVTIH-UHFFFAOYSA-N 0 0 475.615 0.970 20 30 JCEDRN Cn1c2ncn(CCC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2c(=O)n(C)c1=O ZINC000501698011 1068319210 /nfs/dbraw/zinc/31/92/10/1068319210.db2.gz MVEIMGUJNNQJJC-UHFFFAOYSA-N 0 0 463.498 0.573 20 30 JCEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000501729481 1068320028 /nfs/dbraw/zinc/32/00/28/1068320028.db2.gz MXBZPPBDUZZTBA-UHFFFAOYSA-N 0 0 460.512 0.197 20 30 JCEDRN CSc1nn(-c2ccccc2)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C#N ZINC000501742445 1068320671 /nfs/dbraw/zinc/32/06/71/1068320671.db2.gz BSHATJVXGBMJBT-UHFFFAOYSA-N 0 0 450.484 0.852 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2CCCC(=O)OC)CC1 ZINC000501742720 1068320634 /nfs/dbraw/zinc/32/06/34/1068320634.db2.gz DBRWDCFJPIBORZ-UHFFFAOYSA-N 0 0 486.569 0.669 20 30 JCEDRN N#CCCn1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000501748606 1068320461 /nfs/dbraw/zinc/32/04/61/1068320461.db2.gz NLTMFSZSHZUTAR-UHFFFAOYSA-N 0 0 493.480 0.805 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501761152 1068323314 /nfs/dbraw/zinc/32/33/14/1068323314.db2.gz APBHGWLAXMTBQS-UHFFFAOYSA-N 0 0 486.569 0.669 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000501761219 1068323267 /nfs/dbraw/zinc/32/32/67/1068323267.db2.gz BWLVMUNWQXEZTK-UHFFFAOYSA-N 0 0 498.605 0.123 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000501761247 1068323199 /nfs/dbraw/zinc/32/31/99/1068323199.db2.gz CMYKMAZUTSBFMZ-UHFFFAOYSA-N 0 0 470.507 0.897 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCC(=O)OC)c2=O)cc1 ZINC000501761281 1068323522 /nfs/dbraw/zinc/32/35/22/1068323522.db2.gz CZKMQAFMPYQUSK-UHFFFAOYSA-N 0 0 469.563 0.787 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501761383 1068323173 /nfs/dbraw/zinc/32/31/73/1068323173.db2.gz FQTMJAJGMDKKSA-UHFFFAOYSA-N 0 0 486.506 0.133 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000501761407 1068323412 /nfs/dbraw/zinc/32/34/12/1068323412.db2.gz FXKHHOZHKNYBLT-UHFFFAOYSA-N 0 0 498.605 0.123 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501761444 1068323233 /nfs/dbraw/zinc/32/32/33/1068323233.db2.gz GRMWCWOHPRBWOU-UHFFFAOYSA-N 0 0 474.608 0.592 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501761641 1068323371 /nfs/dbraw/zinc/32/33/71/1068323371.db2.gz IADNIDPVNUENLS-INIZCTEOSA-N 0 0 456.524 0.056 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501761642 1068323504 /nfs/dbraw/zinc/32/35/04/1068323504.db2.gz IADNIDPVNUENLS-MRXNPFEDSA-N 0 0 456.524 0.056 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501762014 1068324119 /nfs/dbraw/zinc/32/41/19/1068324119.db2.gz KVLTURJUHUZJLK-UHFFFAOYSA-N 0 0 455.536 0.533 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501762154 1068323947 /nfs/dbraw/zinc/32/39/47/1068323947.db2.gz LGLOWZKVYACNMS-UHFFFAOYSA-N 0 0 482.606 0.839 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCCC(=O)OC ZINC000501762208 1068323469 /nfs/dbraw/zinc/32/34/69/1068323469.db2.gz MDRJQNQFKKDQKJ-UHFFFAOYSA-N 0 0 456.480 0.576 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000501762346 1068323429 /nfs/dbraw/zinc/32/34/29/1068323429.db2.gz MUFMACIEWAYRRU-UHFFFAOYSA-N 0 0 483.546 0.775 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501762387 1068323542 /nfs/dbraw/zinc/32/35/42/1068323542.db2.gz NIPZKEMDDMEUPT-GOSISDBHSA-N 0 0 469.563 0.970 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501762388 1068323355 /nfs/dbraw/zinc/32/33/55/1068323355.db2.gz NIPZKEMDDMEUPT-SFHVURJKSA-N 0 0 469.563 0.970 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000501762401 1068323449 /nfs/dbraw/zinc/32/34/49/1068323449.db2.gz NLJJKWRCIOLKAT-UHFFFAOYSA-N 0 0 456.480 0.553 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCCC1 ZINC000501762626 1068323211 /nfs/dbraw/zinc/32/32/11/1068323211.db2.gz OANBYZAXVXEAKX-UHFFFAOYSA-N 0 0 470.507 0.897 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501762696 1068323485 /nfs/dbraw/zinc/32/34/85/1068323485.db2.gz OSBBXBZNNJTEON-UHFFFAOYSA-N 0 0 455.536 0.533 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000501763234 1068324105 /nfs/dbraw/zinc/32/41/05/1068324105.db2.gz AOTZIZKAJWJRSY-UHFFFAOYSA-N 0 0 469.519 0.431 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000501763261 1068323807 /nfs/dbraw/zinc/32/38/07/1068323807.db2.gz AUWOZEVDJIOGRC-UHFFFAOYSA-N 0 0 498.605 0.123 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(SC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501763614 1068323881 /nfs/dbraw/zinc/32/38/81/1068323881.db2.gz CLXWQDSWQLGHDH-UHFFFAOYSA-N 0 0 487.603 0.947 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCCC(=O)OC ZINC000501763706 1068323998 /nfs/dbraw/zinc/32/39/98/1068323998.db2.gz DKNSOPDLXHBTEF-UHFFFAOYSA-N 0 0 463.943 0.782 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501763823 1068324069 /nfs/dbraw/zinc/32/40/69/1068324069.db2.gz TXDCSFLUJLNAPM-UHFFFAOYSA-N 0 0 486.506 0.133 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501764080 1068323980 /nfs/dbraw/zinc/32/39/80/1068323980.db2.gz FZXFYHDBGGPDKW-GOSISDBHSA-N 0 0 469.563 0.970 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501764081 1068323928 /nfs/dbraw/zinc/32/39/28/1068323928.db2.gz FZXFYHDBGGPDKW-SFHVURJKSA-N 0 0 469.563 0.970 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501764296 1068323743 /nfs/dbraw/zinc/32/37/43/1068323743.db2.gz UYWKNWRHLYFLOF-UHFFFAOYSA-N 0 0 499.545 0.011 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCCC(=O)OC ZINC000501764488 1068323842 /nfs/dbraw/zinc/32/38/42/1068323842.db2.gz IPNZUJWSSKWFOB-UHFFFAOYSA-N 0 0 481.933 0.921 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCCC(=O)OC ZINC000501764800 1068321276 /nfs/dbraw/zinc/32/12/76/1068321276.db2.gz WMVNQVMHLHXYNR-UHFFFAOYSA-N 0 0 456.480 0.576 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCCC(=O)OC ZINC000501765021 1068324441 /nfs/dbraw/zinc/32/44/41/1068324441.db2.gz LKFBAIFNIHNPNZ-UHFFFAOYSA-N 0 0 463.943 0.782 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NC(C)C ZINC000501765450 1068323824 /nfs/dbraw/zinc/32/38/24/1068323824.db2.gz YGONBVOGHPVTRI-UHFFFAOYSA-N 0 0 471.535 0.677 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCCC(=O)OC ZINC000501765457 1068323903 /nfs/dbraw/zinc/32/39/03/1068323903.db2.gz YIPOIPKOKKEHJM-UHFFFAOYSA-N 0 0 463.943 0.782 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NC1CC1 ZINC000501765473 1068323764 /nfs/dbraw/zinc/32/37/64/1068323764.db2.gz YTNGDXPXXPRDSP-UHFFFAOYSA-N 0 0 456.480 0.553 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501765501 1068323794 /nfs/dbraw/zinc/32/37/94/1068323794.db2.gz ZNQSLPNAWSYDDI-KRWDZBQOSA-N 0 0 455.536 0.661 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501765502 1068324014 /nfs/dbraw/zinc/32/40/14/1068324014.db2.gz ZNQSLPNAWSYDDI-QGZVFWFLSA-N 0 0 455.536 0.661 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501765562 1068323858 /nfs/dbraw/zinc/32/38/58/1068323858.db2.gz MDRHUXCKFXLCJE-KRWDZBQOSA-N 0 0 473.526 0.800 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501765563 1068324050 /nfs/dbraw/zinc/32/40/50/1068324050.db2.gz MDRHUXCKFXLCJE-QGZVFWFLSA-N 0 0 473.526 0.800 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501765951 1068321881 /nfs/dbraw/zinc/32/18/81/1068321881.db2.gz NQSNFTIWEKMVCF-UHFFFAOYSA-N 0 0 482.606 0.839 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501765958 1068321608 /nfs/dbraw/zinc/32/16/08/1068321608.db2.gz NRWUZWDGQFPNGF-UHFFFAOYSA-N 0 0 474.608 0.592 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501766556 1068321249 /nfs/dbraw/zinc/32/12/49/1068321249.db2.gz QQEGWJICLCNLGU-UHFFFAOYSA-N 0 0 459.499 0.364 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NC(C)C ZINC000501766973 1068321830 /nfs/dbraw/zinc/32/18/30/1068321830.db2.gz SNIZBNFWQYRADJ-UHFFFAOYSA-N 0 0 458.496 0.799 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501766979 1068321684 /nfs/dbraw/zinc/32/16/84/1068321684.db2.gz SRCXUCNGOFCOAN-INIZCTEOSA-N 0 0 473.526 0.800 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501766980 1068321593 /nfs/dbraw/zinc/32/15/93/1068321593.db2.gz SRCXUCNGOFCOAN-MRXNPFEDSA-N 0 0 473.526 0.800 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501767248 1068321635 /nfs/dbraw/zinc/32/16/35/1068321635.db2.gz VBIWPGIMTAVBPI-UHFFFAOYSA-N 0 0 455.536 0.533 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501767455 1068321701 /nfs/dbraw/zinc/32/17/01/1068321701.db2.gz WSWFJCUZYGPDJI-AWEZNQCLSA-N 0 0 461.565 0.723 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501767456 1068321846 /nfs/dbraw/zinc/32/18/46/1068321846.db2.gz WSWFJCUZYGPDJI-CQSZACIVSA-N 0 0 461.565 0.723 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501767461 1068321528 /nfs/dbraw/zinc/32/15/28/1068321528.db2.gz WTJWDWJOTGOVDK-UHFFFAOYSA-N 0 0 475.954 0.878 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501767796 1068321762 /nfs/dbraw/zinc/32/17/62/1068321762.db2.gz XSZUUZQUNWHUEZ-UHFFFAOYSA-N 0 0 459.499 0.364 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501768544 1068321664 /nfs/dbraw/zinc/32/16/64/1068321664.db2.gz BWXNQQZLSYZBNY-UHFFFAOYSA-N 0 0 468.579 0.530 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2CCCC(=O)OC)CC1 ZINC000501768643 1068321565 /nfs/dbraw/zinc/32/15/65/1068321565.db2.gz CSWAMWGUGNEACK-UHFFFAOYSA-N 0 0 482.606 0.839 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501768652 1068321651 /nfs/dbraw/zinc/32/16/51/1068321651.db2.gz DAQMAHMHQMAIHW-UHFFFAOYSA-N 0 0 486.506 0.133 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501768874 1068322198 /nfs/dbraw/zinc/32/21/98/1068322198.db2.gz DZCLSMXHEZRQQR-KRWDZBQOSA-N 0 0 473.526 0.800 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501768877 1068322218 /nfs/dbraw/zinc/32/22/18/1068322218.db2.gz DZCLSMXHEZRQQR-QGZVFWFLSA-N 0 0 473.526 0.800 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCCC(=O)OC ZINC000501768879 1068322160 /nfs/dbraw/zinc/32/21/60/1068322160.db2.gz DZXOHEOENHJLBI-UHFFFAOYSA-N 0 0 456.480 0.576 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501769223 1068322147 /nfs/dbraw/zinc/32/21/47/1068322147.db2.gz GXXICZYRSVWLJJ-UHFFFAOYSA-N 0 0 486.569 0.669 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501769742 1068322207 /nfs/dbraw/zinc/32/22/07/1068322207.db2.gz IRCIXPCUODNNTD-UHFFFAOYSA-N 0 0 459.499 0.364 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000501770020 1068322260 /nfs/dbraw/zinc/32/22/60/1068322260.db2.gz LEIYOBNUECKUKV-UHFFFAOYSA-N 0 0 455.536 0.997 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501770132 1068322318 /nfs/dbraw/zinc/32/23/18/1068322318.db2.gz MWLJLDFOLRBJHP-UHFFFAOYSA-N 0 0 498.605 0.539 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000501770272 1068322300 /nfs/dbraw/zinc/32/23/00/1068322300.db2.gz NUSVMVSKINQKPJ-UHFFFAOYSA-N 0 0 456.480 0.553 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501770302 1068322227 /nfs/dbraw/zinc/32/22/27/1068322227.db2.gz NZJRGEPHBXLRDD-HNNXBMFYSA-N 0 0 461.565 0.723 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501770303 1068322167 /nfs/dbraw/zinc/32/21/67/1068322167.db2.gz NZJRGEPHBXLRDD-OAHLLOKOSA-N 0 0 461.565 0.723 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501770305 1068322107 /nfs/dbraw/zinc/32/21/07/1068322107.db2.gz OBKQOBXEYZOESU-UHFFFAOYSA-N 0 0 461.565 0.595 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000501770419 1068322348 /nfs/dbraw/zinc/32/23/48/1068322348.db2.gz PKJLREBYOSRIJO-UHFFFAOYSA-N 0 0 470.507 0.897 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501770900 1068322176 /nfs/dbraw/zinc/32/21/76/1068322176.db2.gz QVUMWQCXRVFJFE-GOSISDBHSA-N 0 0 469.563 0.970 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501770903 1068322249 /nfs/dbraw/zinc/32/22/49/1068322249.db2.gz QVUMWQCXRVFJFE-SFHVURJKSA-N 0 0 469.563 0.970 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)N1CCCC1 ZINC000501771649 1068322186 /nfs/dbraw/zinc/32/21/86/1068322186.db2.gz DMDKJSKKPVMEOV-UHFFFAOYSA-N 0 0 455.536 0.997 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501772109 1068322988 /nfs/dbraw/zinc/32/29/88/1068322988.db2.gz VPFSYJJNYAHGDU-GOSISDBHSA-N 0 0 485.562 0.670 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501772116 1068322966 /nfs/dbraw/zinc/32/29/66/1068322966.db2.gz VPFSYJJNYAHGDU-SFHVURJKSA-N 0 0 485.562 0.670 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501772127 1068322925 /nfs/dbraw/zinc/32/29/25/1068322925.db2.gz VTZSDAVHCYZNIH-UHFFFAOYSA-N 0 0 471.535 0.233 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2CCCC(=O)OC)CC1 ZINC000501772309 1068322125 /nfs/dbraw/zinc/32/21/25/1068322125.db2.gz FJVNWWRRZDJFBA-UHFFFAOYSA-N 0 0 498.605 0.539 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501772890 1068322866 /nfs/dbraw/zinc/32/28/66/1068322866.db2.gz XIPNXYJSUSAURJ-UHFFFAOYSA-N 0 0 488.635 0.900 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2CCCC(=O)OC)CC1 ZINC000501772948 1069934637 /nfs/dbraw/zinc/93/46/37/1069934637.db2.gz JFULUJNDRHKVBM-UHFFFAOYSA-N 0 0 498.605 0.539 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NC(C)C ZINC000501773255 1068322796 /nfs/dbraw/zinc/32/27/96/1068322796.db2.gz YYOZUKQVVJIZKR-UHFFFAOYSA-N 0 0 458.496 0.799 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501773755 1068322759 /nfs/dbraw/zinc/32/27/59/1068322759.db2.gz LJPPBDKGEZOTHT-KRWDZBQOSA-N 0 0 485.562 0.670 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501773756 1068322908 /nfs/dbraw/zinc/32/29/08/1068322908.db2.gz LJPPBDKGEZOTHT-QGZVFWFLSA-N 0 0 485.562 0.670 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3C)c(=O)n2CCCC(=O)OC)CC1 ZINC000501773774 1068324315 /nfs/dbraw/zinc/32/43/15/1068324315.db2.gz LNAGYQHYEDBNPM-UHFFFAOYSA-N 0 0 488.635 0.900 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501774126 1068324508 /nfs/dbraw/zinc/32/45/08/1068324508.db2.gz JXAGRBJRRWJBPS-UHFFFAOYSA-N 0 0 475.954 0.878 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2sccc2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501774323 1068324482 /nfs/dbraw/zinc/32/44/82/1068324482.db2.gz MTHHVLADLVTEPA-UHFFFAOYSA-N 0 0 461.565 0.595 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501774802 1068324455 /nfs/dbraw/zinc/32/44/55/1068324455.db2.gz KOLZUDHJLKUPIE-UHFFFAOYSA-N 0 0 471.535 0.233 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000501775627 1068324527 /nfs/dbraw/zinc/32/45/27/1068324527.db2.gz PQWZDHBUCMFPQC-UHFFFAOYSA-N 0 0 455.536 0.997 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501777297 1068324372 /nfs/dbraw/zinc/32/43/72/1068324372.db2.gz SMMXFLKMIIGXIG-UHFFFAOYSA-N 0 0 475.954 0.878 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501777947 1068324679 /nfs/dbraw/zinc/32/46/79/1068324679.db2.gz VJBHMVZIULHIEB-GOSISDBHSA-N 0 0 485.562 0.670 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501777948 1068325143 /nfs/dbraw/zinc/32/51/43/1068325143.db2.gz VJBHMVZIULHIEB-SFHVURJKSA-N 0 0 485.562 0.670 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCCC(=O)OC ZINC000501777969 1068324934 /nfs/dbraw/zinc/32/49/34/1068324934.db2.gz VQKZKQZFGGTIBC-UHFFFAOYSA-N 0 0 457.552 0.746 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCCC(=O)OC ZINC000501778354 1068324606 /nfs/dbraw/zinc/32/46/06/1068324606.db2.gz WECWQPRMYPHTEF-UHFFFAOYSA-N 0 0 457.552 0.746 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cc(C)ccc2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501778821 1068324921 /nfs/dbraw/zinc/32/49/21/1068324921.db2.gz WLDTUPGUFBNQBD-UHFFFAOYSA-N 0 0 469.563 0.842 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501778993 1068324982 /nfs/dbraw/zinc/32/49/82/1068324982.db2.gz XWXWVTLLPNBFLX-UHFFFAOYSA-N 0 0 471.535 0.233 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501779977 1068325130 /nfs/dbraw/zinc/32/51/30/1068325130.db2.gz ZZOBTHNFMFUKLF-UHFFFAOYSA-N 0 0 492.557 0.773 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(C)cc2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501790812 1068325887 /nfs/dbraw/zinc/32/58/87/1068325887.db2.gz OVLUUIBGRROZIW-UHFFFAOYSA-N 0 0 469.563 0.842 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501795573 1068325714 /nfs/dbraw/zinc/32/57/14/1068325714.db2.gz NPKUEXOJFVJNHM-UHFFFAOYSA-N 0 0 477.489 0.503 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCCC(=O)OC ZINC000501797137 1068325692 /nfs/dbraw/zinc/32/56/92/1068325692.db2.gz WJMBQXLJZKQIDY-UHFFFAOYSA-N 0 0 480.546 0.677 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000501802984 1068326434 /nfs/dbraw/zinc/32/64/34/1068326434.db2.gz HVIPYEBPBHBHKU-HNNXBMFYSA-N 0 0 491.516 0.939 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000501802985 1068326481 /nfs/dbraw/zinc/32/64/81/1068326481.db2.gz HVIPYEBPBHBHKU-OAHLLOKOSA-N 0 0 491.516 0.939 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCCC(=O)OC ZINC000501811920 1068325799 /nfs/dbraw/zinc/32/57/99/1068325799.db2.gz BSBDWRDSIHQPHM-UHFFFAOYSA-N 0 0 465.478 0.407 20 30 JCEDRN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000501876754 1068329885 /nfs/dbraw/zinc/32/98/85/1068329885.db2.gz WDUBIPJDDCCIGY-UHFFFAOYSA-N 0 0 491.595 0.754 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)NC1(C#N)CCC1 ZINC000501920877 1068331116 /nfs/dbraw/zinc/33/11/16/1068331116.db2.gz MNIFKECFUGDHSA-UHFFFAOYSA-N 0 0 482.584 0.950 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1c(C)cccc1C ZINC000501992707 1068334131 /nfs/dbraw/zinc/33/41/31/1068334131.db2.gz DDMSMXAFOFNWHJ-INIZCTEOSA-N 0 0 451.552 0.904 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1c(C)cccc1C ZINC000501992708 1068334142 /nfs/dbraw/zinc/33/41/42/1068334142.db2.gz DDMSMXAFOFNWHJ-MRXNPFEDSA-N 0 0 451.552 0.904 20 30 JCEDRN COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@H]2CCCO2)c1 ZINC000501992755 1068334212 /nfs/dbraw/zinc/33/42/12/1068334212.db2.gz DWCAKLWIFSUELD-GOSISDBHSA-N 0 0 465.535 0.973 20 30 JCEDRN COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@@H]2CCCO2)c1 ZINC000501992756 1068334100 /nfs/dbraw/zinc/33/41/00/1068334100.db2.gz DWCAKLWIFSUELD-SFHVURJKSA-N 0 0 465.535 0.973 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(C[C@@H]2CCCO2)c1=O ZINC000501993898 1068334159 /nfs/dbraw/zinc/33/41/59/1068334159.db2.gz KCGOMURHMGRVEL-KRWDZBQOSA-N 0 0 493.545 0.735 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(C[C@H]2CCCO2)c1=O ZINC000501993899 1068334080 /nfs/dbraw/zinc/33/40/80/1068334080.db2.gz KCGOMURHMGRVEL-QGZVFWFLSA-N 0 0 493.545 0.735 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)c2nnc3n2CCCCC3)n(C[C@@H]2CCCO2)c1=O ZINC000501994569 1068333299 /nfs/dbraw/zinc/33/32/99/1068333299.db2.gz OLXIPQLDUULZSI-INIZCTEOSA-N 0 0 451.556 0.692 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)c2nnc3n2CCCCC3)n(C[C@H]2CCCO2)c1=O ZINC000501994570 1068333314 /nfs/dbraw/zinc/33/33/14/1068333314.db2.gz OLXIPQLDUULZSI-MRXNPFEDSA-N 0 0 451.556 0.692 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000501994582 1068333057 /nfs/dbraw/zinc/33/30/57/1068333057.db2.gz OQUKCIUSCNZXGI-KRWDZBQOSA-N 0 0 459.572 0.257 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000501994583 1068333143 /nfs/dbraw/zinc/33/31/43/1068333143.db2.gz OQUKCIUSCNZXGI-QGZVFWFLSA-N 0 0 459.572 0.257 20 30 JCEDRN COc1ccc(CCn2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000501994798 1068332553 /nfs/dbraw/zinc/33/25/53/1068332553.db2.gz QDMMFOXOCVIQII-UHFFFAOYSA-N 0 0 479.562 0.256 20 30 JCEDRN COc1ccc(CCn2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000501995460 1068332908 /nfs/dbraw/zinc/33/29/08/1068332908.db2.gz UBKNDCAGBKQPSI-FQEVSTJZSA-N 0 0 493.589 0.693 20 30 JCEDRN COc1ccc(CCn2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 ZINC000501995463 1068333193 /nfs/dbraw/zinc/33/31/93/1068333193.db2.gz UBKNDCAGBKQPSI-HXUWFJFHSA-N 0 0 493.589 0.693 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1OC ZINC000501998272 1068333081 /nfs/dbraw/zinc/33/30/81/1068333081.db2.gz FGKNHZYCXLQWNZ-UHFFFAOYSA-N 0 0 453.524 0.297 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(C)c1 ZINC000502000946 1068333032 /nfs/dbraw/zinc/33/30/32/1068333032.db2.gz KDUKRKCAHOOIKD-UHFFFAOYSA-N 0 0 451.552 0.905 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1c(C)cccc1C ZINC000502003118 1068333536 /nfs/dbraw/zinc/33/35/36/1068333536.db2.gz NFUOACCUTVJWIL-UHFFFAOYSA-N 0 0 451.552 0.905 20 30 JCEDRN Cc1cccc(C)c1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000502004337 1068333779 /nfs/dbraw/zinc/33/37/79/1068333779.db2.gz PZKRAQVAAWLZAM-UHFFFAOYSA-N 0 0 492.605 0.201 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000502006149 1068333727 /nfs/dbraw/zinc/33/37/27/1068333727.db2.gz SPFCZTJNGRIBNL-UHFFFAOYSA-N 0 0 496.505 0.874 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000502006275 1068333825 /nfs/dbraw/zinc/33/38/25/1068333825.db2.gz UEXIOULVIAUHIP-UHFFFAOYSA-N 0 0 462.579 0.905 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1OC ZINC000502006850 1068333477 /nfs/dbraw/zinc/33/34/77/1068333477.db2.gz VISCLKPPWWBJDO-UHFFFAOYSA-N 0 0 467.551 0.687 20 30 JCEDRN COc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000502007320 1068333686 /nfs/dbraw/zinc/33/36/86/1068333686.db2.gz WBZZWBIAXQUVFJ-INIZCTEOSA-N 0 0 465.535 0.439 20 30 JCEDRN COc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000502007321 1068333761 /nfs/dbraw/zinc/33/37/61/1068333761.db2.gz WBZZWBIAXQUVFJ-MRXNPFEDSA-N 0 0 465.535 0.439 20 30 JCEDRN COc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000502007919 1068333608 /nfs/dbraw/zinc/33/36/08/1068333608.db2.gz WZBSHUOEGJHLRK-UHFFFAOYSA-N 0 0 451.508 0.003 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)c1nnc2n1CCCCC2 ZINC000502008051 1068334112 /nfs/dbraw/zinc/33/41/12/1068334112.db2.gz HTVQMBRFZMPOLG-UHFFFAOYSA-N 0 0 453.572 0.939 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1C ZINC000502008485 1068333667 /nfs/dbraw/zinc/33/36/67/1068333667.db2.gz IFETXDXCKNFRLY-UHFFFAOYSA-N 0 0 492.605 0.201 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccccc2OC)CC1 ZINC000502008735 1068333558 /nfs/dbraw/zinc/33/35/58/1068333558.db2.gz YNVVUMNBEDITMV-UHFFFAOYSA-N 0 0 478.578 0.308 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000502008740 1068333708 /nfs/dbraw/zinc/33/37/08/1068333708.db2.gz YSXLAVBVVMLQSS-UHFFFAOYSA-N 0 0 492.605 0.914 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2c(C)cccc2C)CC1 ZINC000502009360 1068334327 /nfs/dbraw/zinc/33/43/27/1068334327.db2.gz ZZGQMEUXAWKWRX-UHFFFAOYSA-N 0 0 476.606 0.917 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000502011754 1068334231 /nfs/dbraw/zinc/33/42/31/1068334231.db2.gz BKVTZJSMKILNOV-UHFFFAOYSA-N 0 0 479.562 0.708 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000502013204 1068334707 /nfs/dbraw/zinc/33/47/07/1068334707.db2.gz GOSKLXUYOFXMEG-UHFFFAOYSA-N 0 0 451.508 0.966 20 30 JCEDRN C[C@@H](NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1)c1ccccc1 ZINC000502013881 1068334653 /nfs/dbraw/zinc/33/46/53/1068334653.db2.gz AEGPQJQPQTVJLA-GOSISDBHSA-N 0 0 492.605 0.356 20 30 JCEDRN C[C@H](NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1)c1ccccc1 ZINC000502013882 1068334885 /nfs/dbraw/zinc/33/48/85/1068334885.db2.gz AEGPQJQPQTVJLA-SFHVURJKSA-N 0 0 492.605 0.356 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCN2CCOCC2)c1=O ZINC000502014350 1068334966 /nfs/dbraw/zinc/33/49/66/1068334966.db2.gz CMAKJMQKVUGRAP-UHFFFAOYSA-N 0 0 464.551 0.117 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCN2CCOCC2)c1 ZINC000502014672 1067781506 /nfs/dbraw/zinc/78/15/06/1067781506.db2.gz FUABCRFHUNMBKL-UHFFFAOYSA-N 0 0 463.563 0.670 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc(OC)cc1 ZINC000502014697 1068334727 /nfs/dbraw/zinc/33/47/27/1068334727.db2.gz DTEFGPTURIHUDD-UHFFFAOYSA-N 0 0 467.551 0.160 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000502014928 1068334800 /nfs/dbraw/zinc/33/48/00/1068334800.db2.gz KYKIBCCHNQTKGF-UHFFFAOYSA-N 0 0 494.489 0.650 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000502014946 1068334912 /nfs/dbraw/zinc/33/49/12/1068334912.db2.gz LFUZAJPSACFIMI-UHFFFAOYSA-N 0 0 460.563 0.681 20 30 JCEDRN Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502014981 1068334688 /nfs/dbraw/zinc/33/46/88/1068334688.db2.gz FBLIEDABUGPJSI-UHFFFAOYSA-N 0 0 478.578 0.426 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000502015147 1068334671 /nfs/dbraw/zinc/33/46/71/1068334671.db2.gz HFBIQSDASZGDAM-UHFFFAOYSA-N 0 0 477.468 0.917 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc(OC)cc1 ZINC000502015164 1068334617 /nfs/dbraw/zinc/33/46/17/1068334617.db2.gz HLOWFIIHFAYFPK-UHFFFAOYSA-N 0 0 451.552 0.924 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc(OC)cc1 ZINC000502015385 1068334746 /nfs/dbraw/zinc/33/47/46/1068334746.db2.gz GKHDOMFIPGAZTN-UHFFFAOYSA-N 0 0 481.578 0.550 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc(F)cc2)n(CCN2CCOCC2)c1=O ZINC000502015395 1068334929 /nfs/dbraw/zinc/33/49/29/1068334929.db2.gz GOPWXXVDYHDTCA-UHFFFAOYSA-N 0 0 482.541 0.256 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 ZINC000502015681 1068334767 /nfs/dbraw/zinc/33/47/67/1068334767.db2.gz IDCVVSDYEPNANL-HKUYNNGSSA-N 0 0 458.540 0.771 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 ZINC000502015683 1068334947 /nfs/dbraw/zinc/33/49/47/1068334947.db2.gz IDCVVSDYEPNANL-IEBWSBKVSA-N 0 0 458.540 0.771 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 ZINC000502015684 1068334594 /nfs/dbraw/zinc/33/45/94/1068334594.db2.gz IDCVVSDYEPNANL-MJGOQNOKSA-N 0 0 458.540 0.771 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 ZINC000502015686 1068334783 /nfs/dbraw/zinc/33/47/83/1068334783.db2.gz IDCVVSDYEPNANL-PKOBYXMFSA-N 0 0 458.540 0.771 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000502016116 1068335460 /nfs/dbraw/zinc/33/54/60/1068335460.db2.gz NXYJVNXOWNHCFB-UHFFFAOYSA-N 0 0 490.589 0.690 20 30 JCEDRN C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502016440 1068335366 /nfs/dbraw/zinc/33/53/66/1068335366.db2.gz KBVYELZOZWQUKZ-FXAWDEMLSA-N 0 0 484.626 0.173 20 30 JCEDRN C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502016441 1068335110 /nfs/dbraw/zinc/33/51/10/1068335110.db2.gz KBVYELZOZWQUKZ-PXNSSMCTSA-N 0 0 484.626 0.173 20 30 JCEDRN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502016442 1068334633 /nfs/dbraw/zinc/33/46/33/1068334633.db2.gz KBVYELZOZWQUKZ-XLIONFOSSA-N 0 0 484.626 0.173 20 30 JCEDRN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502016443 1068335211 /nfs/dbraw/zinc/33/52/11/1068335211.db2.gz KBVYELZOZWQUKZ-YLJYHZDGSA-N 0 0 484.626 0.173 20 30 JCEDRN Cc1ccc(NC(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCN2CCOCC2)c(C)c1 ZINC000502017074 1068335406 /nfs/dbraw/zinc/33/54/06/1068335406.db2.gz LMLRDPBORYBZCS-UHFFFAOYSA-N 0 0 492.605 0.734 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc(Cl)cc2)n(CCN2CCOCC2)c1=O ZINC000502017656 1068335161 /nfs/dbraw/zinc/33/51/61/1068335161.db2.gz NTVANAQOODSKPZ-UHFFFAOYSA-N 0 0 498.996 0.771 20 30 JCEDRN COc1ccc(CCn2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC(C)C)cc1 ZINC000502017663 1068335179 /nfs/dbraw/zinc/33/51/79/1068335179.db2.gz NYGOAOOWYNFNQH-UHFFFAOYSA-N 0 0 451.552 0.922 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(C)c(C)c2)CC1 ZINC000502018127 1068335425 /nfs/dbraw/zinc/33/54/25/1068335425.db2.gz OHVZWPMACGADRA-UHFFFAOYSA-N 0 0 476.606 0.917 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000502018387 1068335225 /nfs/dbraw/zinc/33/52/25/1068335225.db2.gz TUTJMHUWLHCOGT-UHFFFAOYSA-N 0 0 478.553 0.820 20 30 JCEDRN COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCN2CCOCC2)c1 ZINC000502018440 1068335303 /nfs/dbraw/zinc/33/53/03/1068335303.db2.gz QCUCCDHQBQBPJK-UHFFFAOYSA-N 0 0 494.577 0.126 20 30 JCEDRN COc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCN2CCOCC2)c1 ZINC000502018647 1068335242 /nfs/dbraw/zinc/33/52/42/1068335242.db2.gz PUDPBUVZJMCNTP-UHFFFAOYSA-N 0 0 479.562 0.370 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000502018721 1068335262 /nfs/dbraw/zinc/33/52/62/1068335262.db2.gz UFEMLYHZRRSERZ-UHFFFAOYSA-N 0 0 481.578 0.932 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000502020620 1068335344 /nfs/dbraw/zinc/33/53/44/1068335344.db2.gz XCBKHVJGXNIMQL-UHFFFAOYSA-N 0 0 495.561 0.983 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502021347 1068335279 /nfs/dbraw/zinc/33/52/79/1068335279.db2.gz WSNNOJWBLLFQAU-UHFFFAOYSA-N 0 0 479.562 0.370 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(CCN2CCOCC2)c1=O ZINC000502022721 1068335686 /nfs/dbraw/zinc/33/56/86/1068335686.db2.gz ZQXWNDYZJYYYMY-UHFFFAOYSA-N 0 0 467.526 0.501 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)(F)F)cc1 ZINC000502034016 1068335952 /nfs/dbraw/zinc/33/59/52/1068335952.db2.gz CBLMRYFJJKEFDA-UHFFFAOYSA-N 0 0 493.467 0.797 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000502039291 1068335846 /nfs/dbraw/zinc/33/58/46/1068335846.db2.gz AKMREVLTOMGMHH-UHFFFAOYSA-N 0 0 492.605 0.146 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCN(c3ccccc3F)CC2)n(C2CC2)c1=O ZINC000502039294 1068335897 /nfs/dbraw/zinc/33/58/97/1068335897.db2.gz ALDGXTUULBKPIL-UHFFFAOYSA-N 0 0 478.553 0.969 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OC)c1 ZINC000502039302 1068335628 /nfs/dbraw/zinc/33/56/28/1068335628.db2.gz AOPQAQISXFBKSU-UHFFFAOYSA-N 0 0 453.524 0.297 20 30 JCEDRN Cc1cc(C)cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000502039329 1068335986 /nfs/dbraw/zinc/33/59/86/1068335986.db2.gz AZEFRGITJCHFJZ-UHFFFAOYSA-N 0 0 492.605 0.201 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCN(CC)CC2)c1 ZINC000502039345 1068335917 /nfs/dbraw/zinc/33/59/17/1068335917.db2.gz BCOJSCPQXIYIEZ-UHFFFAOYSA-N 0 0 476.606 0.862 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(Cl)cc2)CC1 ZINC000502039499 1068335705 /nfs/dbraw/zinc/33/57/05/1068335705.db2.gz BTBVFNZCLFZAHI-UHFFFAOYSA-N 0 0 482.997 0.953 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)cc1 ZINC000502039923 1068335883 /nfs/dbraw/zinc/33/58/83/1068335883.db2.gz DKGBWWYHSIAZSE-UHFFFAOYSA-N 0 0 457.943 0.942 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000502039924 1068335741 /nfs/dbraw/zinc/33/57/41/1068335741.db2.gz DKJSHLHSVSMWFX-AWEZNQCLSA-N 0 0 481.534 0.058 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000502039925 1068335592 /nfs/dbraw/zinc/33/55/92/1068335592.db2.gz DKJSHLHSVSMWFX-CQSZACIVSA-N 0 0 481.534 0.058 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N[C@@H](C)COC)cc1 ZINC000502039931 1068335865 /nfs/dbraw/zinc/33/58/65/1068335865.db2.gz DLRPXCAJXHUGTB-HNNXBMFYSA-N 0 0 451.552 0.849 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N[C@H](C)COC)cc1 ZINC000502039932 1068335998 /nfs/dbraw/zinc/33/59/98/1068335998.db2.gz DLRPXCAJXHUGTB-OAHLLOKOSA-N 0 0 451.552 0.849 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OC)c1 ZINC000502040292 1068336169 /nfs/dbraw/zinc/33/61/69/1068336169.db2.gz DYPDCJWAZAEILF-UHFFFAOYSA-N 0 0 467.551 0.687 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)cc(C)c1 ZINC000502040888 1068335665 /nfs/dbraw/zinc/33/56/65/1068335665.db2.gz GICMDCFHYAZNHI-UHFFFAOYSA-N 0 0 451.552 0.905 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000502040971 1068335799 /nfs/dbraw/zinc/33/57/99/1068335799.db2.gz HQNNNOJDDAVZTR-UHFFFAOYSA-N 0 0 495.561 0.450 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(F)c1 ZINC000502041253 1068336378 /nfs/dbraw/zinc/33/63/78/1068336378.db2.gz MYLXIQPUVDOHCL-AWEZNQCLSA-N 0 0 455.515 0.734 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(F)c1 ZINC000502041254 1068336357 /nfs/dbraw/zinc/33/63/57/1068336357.db2.gz MYLXIQPUVDOHCL-CQSZACIVSA-N 0 0 455.515 0.734 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(-c2ccc(Cl)cc2)c1=O ZINC000502041548 1068336107 /nfs/dbraw/zinc/33/61/07/1068336107.db2.gz IYHUAXWAKXECEU-UHFFFAOYSA-N 0 0 498.996 0.237 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc3c(c2)OCCO3)c1=O ZINC000502041558 1068336214 /nfs/dbraw/zinc/33/62/14/1068336214.db2.gz JAWIBLWZZQULDR-UHFFFAOYSA-N 0 0 463.519 0.529 20 30 JCEDRN COc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@H]2CCCO2)c1 ZINC000502042150 1068336149 /nfs/dbraw/zinc/33/61/49/1068336149.db2.gz KAWCLYFIDDJPSE-GOSISDBHSA-N 0 0 465.535 0.439 20 30 JCEDRN COc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 ZINC000502042151 1068336130 /nfs/dbraw/zinc/33/61/30/1068336130.db2.gz KAWCLYFIDDJPSE-SFHVURJKSA-N 0 0 465.535 0.439 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F ZINC000502042798 1068336315 /nfs/dbraw/zinc/33/63/15/1068336315.db2.gz PKWDFSRHXHBWAQ-GFCCVEGCSA-N 0 0 459.478 0.565 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F ZINC000502042818 1068336468 /nfs/dbraw/zinc/33/64/68/1068336468.db2.gz PKWDFSRHXHBWAQ-LBPRGKRZSA-N 0 0 459.478 0.565 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(OC(F)F)cc2)c1=O ZINC000502043192 1068336187 /nfs/dbraw/zinc/33/61/87/1068336187.db2.gz AHDZAXNAYLQXJX-UHFFFAOYSA-N 0 0 487.488 0.596 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F ZINC000502043310 1068336391 /nfs/dbraw/zinc/33/63/91/1068336391.db2.gz AYAXEOXLHGFGBO-UHFFFAOYSA-N 0 0 473.505 0.957 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1F ZINC000502043852 1068336436 /nfs/dbraw/zinc/33/64/36/1068336436.db2.gz BEKGSUTZNZWSAC-UHFFFAOYSA-N 0 0 453.499 0.442 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1F ZINC000502043940 1068336267 /nfs/dbraw/zinc/33/62/67/1068336267.db2.gz BHRIGLRRDQFMTF-KRWDZBQOSA-N 0 0 467.526 0.878 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@H]2CCCO2)cc1F ZINC000502043945 1068336454 /nfs/dbraw/zinc/33/64/54/1068336454.db2.gz BHRIGLRRDQFMTF-QGZVFWFLSA-N 0 0 467.526 0.878 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(-c2ccc3c(c2)OCCO3)c1=O ZINC000502043982 1068336418 /nfs/dbraw/zinc/33/64/18/1068336418.db2.gz NEDLJUYLYGEYJZ-UHFFFAOYSA-N 0 0 489.513 0.816 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(-c2ccc3c(c2)OCCO3)c1=O ZINC000502044025 1068336250 /nfs/dbraw/zinc/33/62/50/1068336250.db2.gz NJOWIVRAWNARFS-UHFFFAOYSA-N 0 0 486.513 0.940 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCOC)cc1 ZINC000502044557 1068336642 /nfs/dbraw/zinc/33/66/42/1068336642.db2.gz DROSHVAAJYMSIM-UHFFFAOYSA-N 0 0 453.524 0.297 20 30 JCEDRN COc1ccc(CCNC(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C2CC2)cc1OC ZINC000502044642 1068336870 /nfs/dbraw/zinc/33/68/70/1068336870.db2.gz NXRKHPLFVBVHNJ-UHFFFAOYSA-N 0 0 479.562 0.857 20 30 JCEDRN COc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000502044724 1068336963 /nfs/dbraw/zinc/33/69/63/1068336963.db2.gz OHYNMCHHGUODJR-UHFFFAOYSA-N 0 0 451.508 0.003 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1C ZINC000502044760 1068336298 /nfs/dbraw/zinc/33/62/98/1068336298.db2.gz OWBAKEYZIRDTPM-INIZCTEOSA-N 0 0 451.552 0.904 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1C ZINC000502044761 1068336818 /nfs/dbraw/zinc/33/68/18/1068336818.db2.gz OWBAKEYZIRDTPM-MRXNPFEDSA-N 0 0 451.552 0.904 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000502045267 1068337080 /nfs/dbraw/zinc/33/70/80/1068337080.db2.gz PVSQQQKADVMKAU-UHFFFAOYSA-N 0 0 481.534 0.059 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1C ZINC000502045278 1068337437 /nfs/dbraw/zinc/33/74/37/1068337437.db2.gz PYSDGZMSTKDXMI-HNNXBMFYSA-N 0 0 451.552 0.904 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1C ZINC000502045279 1068336662 /nfs/dbraw/zinc/33/66/62/1068336662.db2.gz PYSDGZMSTKDXMI-OAHLLOKOSA-N 0 0 451.552 0.904 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(-c2cccc(Cl)c2)c1=O ZINC000502045594 1068336978 /nfs/dbraw/zinc/33/69/78/1068336978.db2.gz FYNXZMWPMYJIQG-UHFFFAOYSA-N 0 0 498.996 0.237 20 30 JCEDRN CCn1c(=O)c(=Cc2csc(Br)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000502045713 1068336586 /nfs/dbraw/zinc/33/65/86/1068336586.db2.gz VLUPUEPMSJOUQX-UHFFFAOYSA-N 0 0 497.440 0.705 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cccc(Cl)c2)CC1 ZINC000502045939 1068336922 /nfs/dbraw/zinc/33/69/22/1068336922.db2.gz GIZLUJMSDKXRSJ-UHFFFAOYSA-N 0 0 482.997 0.953 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000502046601 1068337453 /nfs/dbraw/zinc/33/74/53/1068337453.db2.gz SVMAGINPANGOJY-UHFFFAOYSA-N 0 0 465.535 0.823 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cc(C)cc(C)c2)CC1 ZINC000502046619 1068336741 /nfs/dbraw/zinc/33/67/41/1068336741.db2.gz TUTBFKJKJKEXAW-UHFFFAOYSA-N 0 0 476.606 0.917 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccc3c(c2)OCCO3)c1=O ZINC000502046620 1068336837 /nfs/dbraw/zinc/33/68/37/1068336837.db2.gz TUXFGPPOMYQQNF-UHFFFAOYSA-N 0 0 477.546 0.966 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000502046695 1068337317 /nfs/dbraw/zinc/33/73/17/1068337317.db2.gz URWVGGKIGXMXFX-UHFFFAOYSA-N 0 0 451.508 0.433 20 30 JCEDRN COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C2CC2)CC1 ZINC000502047015 1068337256 /nfs/dbraw/zinc/33/72/56/1068337256.db2.gz VBROSEMOQOTUFZ-UHFFFAOYSA-N 0 0 490.589 0.839 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCCOC)c1 ZINC000502047054 1068339407 /nfs/dbraw/zinc/33/94/07/1068339407.db2.gz VOJOEEXHRGGMAY-UHFFFAOYSA-N 0 0 451.552 0.851 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 ZINC000502047061 1068339494 /nfs/dbraw/zinc/33/94/94/1068339494.db2.gz VWGHYDQIRHWHDH-IBGZPJMESA-N 0 0 463.563 0.993 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@H]2CCCO2)c1 ZINC000502047062 1068339347 /nfs/dbraw/zinc/33/93/47/1068339347.db2.gz VWGHYDQIRHWHDH-LJQANCHMSA-N 0 0 463.563 0.993 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(CCc2ccccc2)c1=O ZINC000502047201 1068339247 /nfs/dbraw/zinc/33/92/47/1068339247.db2.gz FMSVBUGXYZMQCR-IBGZPJMESA-N 0 0 463.563 0.684 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(CCc2ccccc2)c1=O ZINC000502047202 1068339298 /nfs/dbraw/zinc/33/92/98/1068339298.db2.gz FMSVBUGXYZMQCR-LJQANCHMSA-N 0 0 463.563 0.684 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)cc2F)c1=O ZINC000502047489 1068339281 /nfs/dbraw/zinc/33/92/81/1068339281.db2.gz JLCUXCBVNQCMNN-UHFFFAOYSA-N 0 0 457.462 0.273 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000502047657 1068339385 /nfs/dbraw/zinc/33/93/85/1068339385.db2.gz WCZMYYXKHOTZBW-UHFFFAOYSA-N 0 0 451.508 0.431 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(Cl)cc2)c1=O ZINC000502047697 1068339262 /nfs/dbraw/zinc/33/92/62/1068339262.db2.gz WMFBRXGYVLDCQO-UHFFFAOYSA-N 0 0 455.927 0.648 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)n(C2CC2)c1=O ZINC000502047704 1068339425 /nfs/dbraw/zinc/33/94/25/1068339425.db2.gz WOUAGYOHVUSXRQ-UHFFFAOYSA-N 0 0 494.489 0.799 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccc3c(c2)OCCO3)c1=O ZINC000502047708 1068339363 /nfs/dbraw/zinc/33/93/63/1068339363.db2.gz WQJYLJGLUCRHFA-KRWDZBQOSA-N 0 0 493.545 0.202 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccc3c(c2)OCCO3)c1=O ZINC000502047709 1068339436 /nfs/dbraw/zinc/33/94/36/1068339436.db2.gz WQJYLJGLUCRHFA-QGZVFWFLSA-N 0 0 493.545 0.202 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cccc(OC)c2)CC1 ZINC000502047744 1068339317 /nfs/dbraw/zinc/33/93/17/1068339317.db2.gz WYIYQMYOGKBCQM-UHFFFAOYSA-N 0 0 478.578 0.308 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)n(C2CC2)c1=O ZINC000502048436 1068339967 /nfs/dbraw/zinc/33/99/67/1068339967.db2.gz YHSCNZQNFXUKOR-UHFFFAOYSA-N 0 0 460.563 0.830 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccs1 ZINC000502048784 1068340046 /nfs/dbraw/zinc/34/00/46/1068340046.db2.gz LTQICCPACXBCSI-UHFFFAOYSA-N 0 0 457.581 0.799 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N[C@@H](C)COC)c1 ZINC000502048911 1068339217 /nfs/dbraw/zinc/33/92/17/1068339217.db2.gz HSILDJCHQTXBCZ-HNNXBMFYSA-N 0 0 451.552 0.849 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N[C@H](C)COC)c1 ZINC000502048912 1068339476 /nfs/dbraw/zinc/33/94/76/1068339476.db2.gz HSILDJCHQTXBCZ-OAHLLOKOSA-N 0 0 451.552 0.849 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cc1 ZINC000502048927 1068339185 /nfs/dbraw/zinc/33/91/85/1068339185.db2.gz HXYSNHGIPBDUMO-UHFFFAOYSA-N 0 0 492.605 0.698 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(Br)c3)c(=O)n2C)CC1 ZINC000502049195 1068339832 /nfs/dbraw/zinc/33/98/32/1068339832.db2.gz ZJSKUHDJPLSFKK-UHFFFAOYSA-N 0 0 467.414 0.938 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000502049231 1068340025 /nfs/dbraw/zinc/34/00/25/1068340025.db2.gz ZPJDNUNJUUCQIK-UHFFFAOYSA-N 0 0 465.535 0.679 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000502049324 1068339866 /nfs/dbraw/zinc/33/98/66/1068339866.db2.gz MEWPTEKYMZXAPQ-UHFFFAOYSA-N 0 0 489.504 0.890 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000502049459 1068339677 /nfs/dbraw/zinc/33/96/77/1068339677.db2.gz IDWCPMWKOIFNKT-UHFFFAOYSA-N 0 0 451.508 0.738 20 30 JCEDRN Cn1c(=O)c(=Cc2csc(Br)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000502049477 1068339800 /nfs/dbraw/zinc/33/98/00/1068339800.db2.gz IFPXOLKNWMZKTM-UHFFFAOYSA-N 0 0 483.413 0.222 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCc2ccccc2)CC1 ZINC000502049512 1068339715 /nfs/dbraw/zinc/33/97/15/1068339715.db2.gz IMAMJXKIXKQEJF-UHFFFAOYSA-N 0 0 476.606 0.553 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000502049535 1068339951 /nfs/dbraw/zinc/33/99/51/1068339951.db2.gz IPZXYPFGFVCELU-UHFFFAOYSA-N 0 0 465.535 0.393 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000502049775 1068339662 /nfs/dbraw/zinc/33/96/62/1068339662.db2.gz NCGAHMQJYLHVJI-CYBMUJFWSA-N 0 0 489.504 0.888 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000502049778 1068339986 /nfs/dbraw/zinc/33/99/86/1068339986.db2.gz NCGAHMQJYLHVJI-ZDUSSCGKSA-N 0 0 489.504 0.888 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2Cc2cccs2)CC1 ZINC000502049876 1068339763 /nfs/dbraw/zinc/33/97/63/1068339763.db2.gz NWWUGAFTFBUGMM-UHFFFAOYSA-N 0 0 468.608 0.420 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(F)cc2F)CC1 ZINC000502049928 1068339920 /nfs/dbraw/zinc/33/99/20/1068339920.db2.gz OBUIWIUWTIOTNL-UHFFFAOYSA-N 0 0 484.532 0.578 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000502050301 1068339885 /nfs/dbraw/zinc/33/98/85/1068339885.db2.gz OJJYHJGHXSHCIU-UHFFFAOYSA-N 0 0 475.477 0.500 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1F ZINC000502050343 1068339903 /nfs/dbraw/zinc/33/99/03/1068339903.db2.gz OSEUGDSTBKQWNT-UHFFFAOYSA-N 0 0 455.515 0.817 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccc1 ZINC000502050985 1068340002 /nfs/dbraw/zinc/34/00/02/1068340002.db2.gz LBGMHNAIXAQBSQ-UHFFFAOYSA-N 0 0 465.579 0.932 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F ZINC000502051299 1068340064 /nfs/dbraw/zinc/34/00/64/1068340064.db2.gz QRBZSHPIPDFHED-UHFFFAOYSA-N 0 0 459.478 0.566 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1C ZINC000502051391 1068340338 /nfs/dbraw/zinc/34/03/38/1068340338.db2.gz MAYJCHFKTVKUAZ-UHFFFAOYSA-N 0 0 451.552 0.905 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccc(F)cc2F)c1=O ZINC000502051758 1068339816 /nfs/dbraw/zinc/33/98/16/1068339816.db2.gz RBTYIPREZXHAJL-HNNXBMFYSA-N 0 0 471.489 0.709 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccc(F)cc2F)c1=O ZINC000502051761 1068339744 /nfs/dbraw/zinc/33/97/44/1068339744.db2.gz RBTYIPREZXHAJL-OAHLLOKOSA-N 0 0 471.489 0.709 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(C)c(F)c2)CC1 ZINC000502051796 1068340309 /nfs/dbraw/zinc/34/03/09/1068340309.db2.gz RIEDXUBLXZQZFG-UHFFFAOYSA-N 0 0 480.569 0.747 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1 ZINC000502051941 1068339698 /nfs/dbraw/zinc/33/96/98/1068339698.db2.gz NVGSXWMGRPTHQI-UHFFFAOYSA-N 0 0 451.552 0.987 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2cccc(Cl)c2)c1=O ZINC000502052267 1068340626 /nfs/dbraw/zinc/34/06/26/1068340626.db2.gz TYJPLHPZLFGYQL-UHFFFAOYSA-N 0 0 455.927 0.648 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(Cc2cccs2)c1=O ZINC000502052575 1068340470 /nfs/dbraw/zinc/34/04/70/1068340470.db2.gz TZGDNXVVJKRLJE-HNNXBMFYSA-N 0 0 455.565 0.551 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(Cc2cccs2)c1=O ZINC000502052576 1068340215 /nfs/dbraw/zinc/34/02/15/1068340215.db2.gz TZGDNXVVJKRLJE-OAHLLOKOSA-N 0 0 455.565 0.551 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccccc2C)CC1 ZINC000502052643 1068340373 /nfs/dbraw/zinc/34/03/73/1068340373.db2.gz UQUSHCWHVHHMKU-UHFFFAOYSA-N 0 0 462.579 0.608 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(F)c1 ZINC000502052665 1068340605 /nfs/dbraw/zinc/34/06/05/1068340605.db2.gz UZICMOJFMLFLOG-UHFFFAOYSA-N 0 0 455.515 0.736 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)c1ccccc1OC ZINC000502052970 1068340569 /nfs/dbraw/zinc/34/05/69/1068340569.db2.gz PXTNZMHALOPIOX-UHFFFAOYSA-N 0 0 466.519 0.991 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cccc(C)c2)CC1 ZINC000502053725 1068340488 /nfs/dbraw/zinc/34/04/88/1068340488.db2.gz RDWFSFAZFRLEAY-UHFFFAOYSA-N 0 0 462.579 0.608 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccc1 ZINC000502053811 1068340241 /nfs/dbraw/zinc/34/02/41/1068340241.db2.gz RSLYOPMMOXBUGC-UHFFFAOYSA-N 0 0 451.552 0.542 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cc(C)ccc2C)CC1 ZINC000502053950 1068340427 /nfs/dbraw/zinc/34/04/27/1068340427.db2.gz BCXRVXIHRSCQJA-UHFFFAOYSA-N 0 0 476.606 0.917 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(Cl)c1 ZINC000502054116 1068337881 /nfs/dbraw/zinc/33/78/81/1068337881.db2.gz XMTUOQDKYGQTOP-UHFFFAOYSA-N 0 0 457.943 0.942 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C ZINC000502054169 1068337834 /nfs/dbraw/zinc/33/78/34/1068337834.db2.gz XWUADQIWQTVQCW-UHFFFAOYSA-N 0 0 451.552 0.987 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1F ZINC000502054190 1068337598 /nfs/dbraw/zinc/33/75/98/1068337598.db2.gz YAXAWALCEYQDOY-UHFFFAOYSA-N 0 0 496.568 0.032 20 30 JCEDRN Cc1ccc(C)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000502054194 1068337657 /nfs/dbraw/zinc/33/76/57/1068337657.db2.gz BVYVIXVILBVSGY-UHFFFAOYSA-N 0 0 492.605 0.201 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCSc2ccccc2)c1=O ZINC000502054226 1068337641 /nfs/dbraw/zinc/33/76/41/1068337641.db2.gz CCRKNCZEDARZHF-UHFFFAOYSA-N 0 0 481.603 0.797 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cccc(C)c2C)CC1 ZINC000502054622 1068337216 /nfs/dbraw/zinc/33/72/16/1068337216.db2.gz CWCITGZWZSURQU-UHFFFAOYSA-N 0 0 476.606 0.917 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccccc2F)c1=O ZINC000502054666 1068337276 /nfs/dbraw/zinc/33/72/76/1068337276.db2.gz DCHKRXJLMPUGRC-HNNXBMFYSA-N 0 0 453.499 0.570 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccccc2F)c1=O ZINC000502054672 1068337564 /nfs/dbraw/zinc/33/75/64/1068337564.db2.gz DCHKRXJLMPUGRC-OAHLLOKOSA-N 0 0 453.499 0.570 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000502054818 1068337338 /nfs/dbraw/zinc/33/73/38/1068337338.db2.gz DVDGWCJEFNSDHR-AWEZNQCLSA-N 0 0 480.550 0.245 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000502054824 1068337488 /nfs/dbraw/zinc/33/74/88/1068337488.db2.gz DVDGWCJEFNSDHR-CQSZACIVSA-N 0 0 480.550 0.245 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)cc1 ZINC000502055079 1068337755 /nfs/dbraw/zinc/33/77/55/1068337755.db2.gz STXGPPLAWZYIFX-CYBMUJFWSA-N 0 0 457.943 0.940 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)cc1 ZINC000502055080 1068337582 /nfs/dbraw/zinc/33/75/82/1068337582.db2.gz STXGPPLAWZYIFX-ZDUSSCGKSA-N 0 0 457.943 0.940 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N[C@@H](C)COC)cc1 ZINC000502055096 1068337738 /nfs/dbraw/zinc/33/77/38/1068337738.db2.gz SXZVXKWJLCUZFH-HNNXBMFYSA-N 0 0 467.551 0.685 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N[C@H](C)COC)cc1 ZINC000502055097 1068337678 /nfs/dbraw/zinc/33/76/78/1068337678.db2.gz SXZVXKWJLCUZFH-OAHLLOKOSA-N 0 0 467.551 0.685 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cc1 ZINC000502055748 1068337858 /nfs/dbraw/zinc/33/78/58/1068337858.db2.gz GSXOCYYFXDMBFX-UHFFFAOYSA-N 0 0 476.606 0.862 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000502056554 1068337845 /nfs/dbraw/zinc/33/78/45/1068337845.db2.gz WPNKRVYEGQKSLE-IBGZPJMESA-N 0 0 479.562 0.829 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 ZINC000502056555 1068337805 /nfs/dbraw/zinc/33/78/05/1068337805.db2.gz WPNKRVYEGQKSLE-LJQANCHMSA-N 0 0 479.562 0.829 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000502056557 1068337789 /nfs/dbraw/zinc/33/77/89/1068337789.db2.gz IRNWDDZTSGVTCD-UHFFFAOYSA-N 0 0 450.524 0.620 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCSc1ccccc1 ZINC000502057512 1068337820 /nfs/dbraw/zinc/33/78/20/1068337820.db2.gz MFPIKBWNKCIPPQ-UHFFFAOYSA-N 0 0 469.592 0.701 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCCOC)cc1 ZINC000502057665 1068337624 /nfs/dbraw/zinc/33/76/24/1068337624.db2.gz MRTDBBKYVPVYAF-UHFFFAOYSA-N 0 0 451.552 0.851 20 30 JCEDRN Cc1c(Cl)cccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000502057842 1068337924 /nfs/dbraw/zinc/33/79/24/1068337924.db2.gz NDGIMYSLCJTROW-UHFFFAOYSA-N 0 0 469.954 0.956 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000502057906 1068337771 /nfs/dbraw/zinc/33/77/71/1068337771.db2.gz NRCFPVROGOANMY-UHFFFAOYSA-N 0 0 492.605 0.146 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)c(C)c1 ZINC000502058085 1068338233 /nfs/dbraw/zinc/33/82/33/1068338233.db2.gz YJIFIAKSQWZSPY-UHFFFAOYSA-N 0 0 492.605 0.201 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(C)cc2C)CC1 ZINC000502058131 1068338287 /nfs/dbraw/zinc/33/82/87/1068338287.db2.gz YURYKCABUFLXOX-UHFFFAOYSA-N 0 0 476.606 0.917 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCCOC)cc1 ZINC000502058134 1068338195 /nfs/dbraw/zinc/33/81/95/1068338195.db2.gz YVMOASBULQUEMI-UHFFFAOYSA-N 0 0 467.551 0.687 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCC(C)C)c1 ZINC000502058243 1068338268 /nfs/dbraw/zinc/33/82/68/1068338268.db2.gz PDVHHMUCIFQNLS-UHFFFAOYSA-N 0 0 464.551 0.866 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(Br)c1 ZINC000502058653 1068338210 /nfs/dbraw/zinc/33/82/10/1068338210.db2.gz QUFOPPLNDYVZLS-UHFFFAOYSA-N 0 0 488.367 0.661 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1C ZINC000502058674 1068338407 /nfs/dbraw/zinc/33/84/07/1068338407.db2.gz RALVEBRDEXENKN-UHFFFAOYSA-N 0 0 451.552 0.905 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000502058925 1068338322 /nfs/dbraw/zinc/33/83/22/1068338322.db2.gz UIIGQMRDDBCICQ-IBGZPJMESA-N 0 0 463.563 0.993 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 ZINC000502058926 1068338447 /nfs/dbraw/zinc/33/84/47/1068338447.db2.gz UIIGQMRDDBCICQ-LJQANCHMSA-N 0 0 463.563 0.993 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 ZINC000502059038 1068338109 /nfs/dbraw/zinc/33/81/09/1068338109.db2.gz VRAHLUBMKHTYNW-UHFFFAOYSA-N 0 0 455.515 0.817 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(F)cc2)CC1 ZINC000502059288 1068338775 /nfs/dbraw/zinc/33/87/75/1068338775.db2.gz WCXFNGRWCZIMCW-UHFFFAOYSA-N 0 0 466.542 0.439 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccc(F)cc2)c1=O ZINC000502059342 1068338171 /nfs/dbraw/zinc/33/81/71/1068338171.db2.gz WXAMKBPNYDGBKT-KRWDZBQOSA-N 0 0 453.499 0.570 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccc(F)cc2)c1=O ZINC000502059343 1068338599 /nfs/dbraw/zinc/33/85/99/1068338599.db2.gz WXAMKBPNYDGBKT-QGZVFWFLSA-N 0 0 453.499 0.570 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1C ZINC000502059349 1068338581 /nfs/dbraw/zinc/33/85/81/1068338581.db2.gz WYJPRTLGZYARTE-UHFFFAOYSA-N 0 0 451.552 0.905 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccccc2F)CC1 ZINC000502059352 1068338354 /nfs/dbraw/zinc/33/83/54/1068338354.db2.gz WZXUHBOFFCESNA-UHFFFAOYSA-N 0 0 466.542 0.439 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000502059623 1068338340 /nfs/dbraw/zinc/33/83/40/1068338340.db2.gz XYUHBPMYZIZKJE-UHFFFAOYSA-N 0 0 494.577 0.637 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1C ZINC000502059638 1068338070 /nfs/dbraw/zinc/33/80/70/1068338070.db2.gz YEWPAZWUSDYCAQ-UHFFFAOYSA-N 0 0 492.605 0.201 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(Cl)c1C ZINC000502059816 1068338436 /nfs/dbraw/zinc/33/84/36/1068338436.db2.gz YVVZFLLYNRNVBJ-UHFFFAOYSA-N 0 0 457.943 0.860 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000502059867 1068338420 /nfs/dbraw/zinc/33/84/20/1068338420.db2.gz ZBRIDVJRZZRIOU-HNNXBMFYSA-N 0 0 451.552 0.849 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000502059868 1068338087 /nfs/dbraw/zinc/33/80/87/1068338087.db2.gz ZBRIDVJRZZRIOU-OAHLLOKOSA-N 0 0 451.552 0.849 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1C ZINC000502061512 1068338715 /nfs/dbraw/zinc/33/87/15/1068338715.db2.gz ASTARELHNCTZDI-INIZCTEOSA-N 0 0 451.552 0.904 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1C ZINC000502061513 1068338947 /nfs/dbraw/zinc/33/89/47/1068338947.db2.gz ASTARELHNCTZDI-MRXNPFEDSA-N 0 0 451.552 0.904 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000502062159 1068338993 /nfs/dbraw/zinc/33/89/93/1068338993.db2.gz FMBZFNSZYNZYBS-UHFFFAOYSA-N 0 0 480.550 0.247 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 ZINC000502062254 1068339011 /nfs/dbraw/zinc/33/90/11/1068339011.db2.gz GLHXUSLOTRGJFM-IBGZPJMESA-N 0 0 492.561 0.389 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC[C@H]2CCCO2)c1 ZINC000502062255 1068338652 /nfs/dbraw/zinc/33/86/52/1068338652.db2.gz GLHXUSLOTRGJFM-LJQANCHMSA-N 0 0 492.561 0.389 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000502062603 1068338967 /nfs/dbraw/zinc/33/89/67/1068338967.db2.gz IEQPWCPBUIIERA-UHFFFAOYSA-N 0 0 473.917 0.787 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCCC2)c1 ZINC000502062876 1068338675 /nfs/dbraw/zinc/33/86/75/1068338675.db2.gz JFJJKPBDKAEQQY-UHFFFAOYSA-N 0 0 462.535 0.716 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000502063833 1068338914 /nfs/dbraw/zinc/33/89/14/1068338914.db2.gz OEYAMBMCNREBRJ-UHFFFAOYSA-N 0 0 476.606 0.862 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000502063916 1068338812 /nfs/dbraw/zinc/33/88/12/1068338812.db2.gz OTINDZYPLMPJEV-UHFFFAOYSA-N 0 0 492.605 0.146 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000502063959 1068338871 /nfs/dbraw/zinc/33/88/71/1068338871.db2.gz PMMAMXTWPFVLMD-UHFFFAOYSA-N 0 0 461.906 0.691 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000502064477 1068339152 /nfs/dbraw/zinc/33/91/52/1068339152.db2.gz TZVDKRUDXQVGEH-GOSISDBHSA-N 0 0 463.563 0.993 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000502064478 1068339234 /nfs/dbraw/zinc/33/92/34/1068339234.db2.gz TZVDKRUDXQVGEH-SFHVURJKSA-N 0 0 463.563 0.993 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC(C)C)c1 ZINC000502064508 1068339165 /nfs/dbraw/zinc/33/91/65/1068339165.db2.gz UWRNWEQWADWEFF-UHFFFAOYSA-N 0 0 450.524 0.619 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCCOC ZINC000502064647 1068339513 /nfs/dbraw/zinc/33/95/13/1068339513.db2.gz VQJPXRKMKQFNPA-UHFFFAOYSA-N 0 0 451.552 0.851 20 30 JCEDRN CC(C)C(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000502068755 1068341743 /nfs/dbraw/zinc/34/17/43/1068341743.db2.gz OMXOVJJSJOAOSQ-UHFFFAOYSA-N 0 0 461.588 0.628 20 30 JCEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000502078444 1068341621 /nfs/dbraw/zinc/34/16/21/1068341621.db2.gz OCDAETFLJIZOMR-UHFFFAOYSA-N 0 0 470.573 0.099 20 30 JCEDRN COCCn1c(N)c(C(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(=O)[nH]c1=O ZINC000502161017 1068344682 /nfs/dbraw/zinc/34/46/82/1068344682.db2.gz WIRRBYDIWUPYPD-UHFFFAOYSA-N 0 0 454.487 0.583 20 30 JCEDRN CC(C)(C)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000502217234 1068347975 /nfs/dbraw/zinc/34/79/75/1068347975.db2.gz SJCWAODVWPUJTD-UHFFFAOYSA-N 0 0 461.588 0.581 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)c1 ZINC000502259688 1068349848 /nfs/dbraw/zinc/34/98/48/1068349848.db2.gz QTQIQIXUOQAKQK-UHFFFAOYSA-N 0 0 483.506 0.991 20 30 JCEDRN CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000502302857 1068350230 /nfs/dbraw/zinc/35/02/30/1068350230.db2.gz ODSJUHSJPRFGEW-UHFFFAOYSA-N 0 0 457.397 0.907 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c([N+](=O)[O-])c1 ZINC000502312144 1068351029 /nfs/dbraw/zinc/35/10/29/1068351029.db2.gz UBMAUGCEEFKAPH-UHFFFAOYSA-N 0 0 488.592 0.838 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000502314685 1068350962 /nfs/dbraw/zinc/35/09/62/1068350962.db2.gz QHALVAKDHQCMDU-UHFFFAOYSA-N 0 0 477.568 0.818 20 30 JCEDRN CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000502321993 1068350471 /nfs/dbraw/zinc/35/04/71/1068350471.db2.gz XTDKKEXBNZKBCR-UHFFFAOYSA-N 0 0 451.368 0.846 20 30 JCEDRN CN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000502329092 1068351905 /nfs/dbraw/zinc/35/19/05/1068351905.db2.gz YBEHRRCTEZORLI-UHFFFAOYSA-N 0 0 493.995 0.321 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000502332199 1068350902 /nfs/dbraw/zinc/35/09/02/1068350902.db2.gz LSBPEYCSDCYFRF-UHFFFAOYSA-N 0 0 477.568 0.818 20 30 JCEDRN N#CCN(CC#N)C(=O)Cn1cc(I)c(=O)c(I)c1 ZINC000502443967 1068355902 /nfs/dbraw/zinc/35/59/02/1068355902.db2.gz GZQZIMNCONHGSU-UHFFFAOYSA-N 0 0 482.019 0.933 20 30 JCEDRN C=CCNC(=O)Cn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=CC(=O)C1CC1 ZINC000502447522 1068356142 /nfs/dbraw/zinc/35/61/42/1068356142.db2.gz XQIFEPKBDIOYRP-UHFFFAOYSA-N 0 0 458.536 0.826 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000502448701 1068356079 /nfs/dbraw/zinc/35/60/79/1068356079.db2.gz YDQHNXVMLXMSHH-UHFFFAOYSA-N 0 0 469.567 0.953 20 30 JCEDRN C=CCNC(=O)Cn1c(=O)c(=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])sc1=CC(=O)C1CC1 ZINC000502484983 1068358335 /nfs/dbraw/zinc/35/83/35/1068358335.db2.gz GFXRYLSZFXPMBZ-UHFFFAOYSA-N 0 0 473.507 0.726 20 30 JCEDRN C=CCNC(=O)Cn1c(=O)c(=Cc2cc(OC)c(OC)cc2OC)sc1=CC(=O)C1CC1 ZINC000502487736 1068357737 /nfs/dbraw/zinc/35/77/37/1068357737.db2.gz MFPSIIPPDQDOFL-UHFFFAOYSA-N 0 0 458.536 0.826 20 30 JCEDRN CCc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000502525400 1068359220 /nfs/dbraw/zinc/35/92/20/1068359220.db2.gz KIXHQAZFWCNRIY-UHFFFAOYSA-N 0 0 464.588 0.958 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC#N)CCN3CCOCC3)CC2)o1 ZINC000502537392 1068359461 /nfs/dbraw/zinc/35/94/61/1068359461.db2.gz JBVQARPKFILSLJ-UHFFFAOYSA-N 0 0 496.586 0.931 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCN3CCOCC3)CC2)cc1 ZINC000502544598 1068360275 /nfs/dbraw/zinc/36/02/75/1068360275.db2.gz FSNLTFUHZYSREJ-UHFFFAOYSA-N 0 0 463.604 0.376 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000502545492 1068360368 /nfs/dbraw/zinc/36/03/68/1068360368.db2.gz JHGHYHIMMCCCPB-IBGZPJMESA-N 0 0 450.561 0.832 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000502545493 1068360557 /nfs/dbraw/zinc/36/05/57/1068360557.db2.gz JHGHYHIMMCCCPB-LJQANCHMSA-N 0 0 450.561 0.832 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000502554456 1068361875 /nfs/dbraw/zinc/36/18/75/1068361875.db2.gz ZPZWTXJIVCTYKH-UHFFFAOYSA-N 0 0 480.587 0.981 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000502554944 1068361819 /nfs/dbraw/zinc/36/18/19/1068361819.db2.gz NYHPWQXDCBUWNI-UHFFFAOYSA-N 0 0 491.614 0.374 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2)CC1 ZINC000502555569 1068361857 /nfs/dbraw/zinc/36/18/57/1068361857.db2.gz REAUDIXPKKAAAB-UHFFFAOYSA-N 0 0 477.587 0.227 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CCC#N)CCN2CCOCC2)cc1 ZINC000502567496 1068362398 /nfs/dbraw/zinc/36/23/98/1068362398.db2.gz BYWLOFINIZDIKA-INIZCTEOSA-N 0 0 451.549 0.386 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000502570419 1068361190 /nfs/dbraw/zinc/36/11/90/1068361190.db2.gz ONPBHDRJQGDKHE-UHFFFAOYSA-N 0 0 492.598 0.933 20 30 JCEDRN CC(=O)N1CCN(c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000502572423 1068361206 /nfs/dbraw/zinc/36/12/06/1068361206.db2.gz WTVQHDLAYFUPET-UHFFFAOYSA-N 0 0 458.519 0.951 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000502578096 1068363518 /nfs/dbraw/zinc/36/35/18/1068363518.db2.gz VTSJSFFCRAPNKO-UHFFFAOYSA-N 0 0 466.560 0.591 20 30 JCEDRN CS(=O)(=O)c1ccc(-n2nnnc2CS(=O)(=O)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000502600139 1068365303 /nfs/dbraw/zinc/36/53/03/1068365303.db2.gz LKZWVUZMYNSGHD-UHFFFAOYSA-N 0 0 460.497 0.491 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000502688852 1068368430 /nfs/dbraw/zinc/36/84/30/1068368430.db2.gz AUARTFWJVMBQMN-UHFFFAOYSA-N 0 0 496.549 0.950 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)onc2-c2ccncc2)CC1 ZINC000502728336 1068383385 /nfs/dbraw/zinc/38/33/85/1068383385.db2.gz MVYXCEVVBDHUBA-UHFFFAOYSA-N 0 0 454.468 0.303 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)onc2-c2cccnc2)CC1 ZINC000502729899 1068385466 /nfs/dbraw/zinc/38/54/66/1068385466.db2.gz XFPKAGRJIRTPMK-UHFFFAOYSA-N 0 0 454.468 0.303 20 30 JCEDRN C=CCn1c(SCCCS(N)(=O)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000502819620 1068390043 /nfs/dbraw/zinc/39/00/43/1068390043.db2.gz JRNBQWAIKADWSG-UHFFFAOYSA-N 0 0 487.629 0.923 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1=O ZINC000502819889 1068389809 /nfs/dbraw/zinc/38/98/09/1068389809.db2.gz OQOMZADIAUTHTL-UHFFFAOYSA-N 0 0 488.570 0.781 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000502854556 1068391151 /nfs/dbraw/zinc/39/11/51/1068391151.db2.gz GWRHGNPTGCLFGI-UHFFFAOYSA-N 0 0 497.643 0.832 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)N(CC#N)c2ccccc2)c(=O)c1=O ZINC000502859596 1068391533 /nfs/dbraw/zinc/39/15/33/1068391533.db2.gz XOZJYOPJJIWZDH-UHFFFAOYSA-N 0 0 469.523 0.990 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000502915456 1068393514 /nfs/dbraw/zinc/39/35/14/1068393514.db2.gz DPQPALJVGJNTEH-UHFFFAOYSA-N 0 0 451.531 0.659 20 30 JCEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000502946286 1068394686 /nfs/dbraw/zinc/39/46/86/1068394686.db2.gz TUHXTRLWGUXCIC-UHFFFAOYSA-N 0 0 459.894 0.677 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000502947529 1068394773 /nfs/dbraw/zinc/39/47/73/1068394773.db2.gz VBDFMNRXNLPNAA-UHFFFAOYSA-N 0 0 492.579 0.940 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000502947700 1068394829 /nfs/dbraw/zinc/39/48/29/1068394829.db2.gz WECFPQLMCAJCAW-UHFFFAOYSA-N 0 0 486.550 0.878 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000503032692 1068399096 /nfs/dbraw/zinc/39/90/96/1068399096.db2.gz GWEJQXBFWZWKHT-UHFFFAOYSA-N 0 0 477.543 0.318 20 30 JCEDRN N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000503216415 1068415831 /nfs/dbraw/zinc/41/58/31/1068415831.db2.gz MGXTUCUFQXZUSB-UHFFFAOYSA-N 0 0 497.625 0.932 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)c1 ZINC000503240642 1068419748 /nfs/dbraw/zinc/41/97/48/1068419748.db2.gz NVONZTNDIMLWAE-UHFFFAOYSA-N 0 0 484.586 0.332 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000503244601 1068421344 /nfs/dbraw/zinc/42/13/44/1068421344.db2.gz WEEHLIRORBAJLV-UHFFFAOYSA-N 0 0 484.586 0.332 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000503264551 1068424734 /nfs/dbraw/zinc/42/47/34/1068424734.db2.gz KFLUXSNJSYNVCB-UHFFFAOYSA-N 0 0 469.479 0.361 20 30 JCEDRN CNC(=O)CN1CCC(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 ZINC000503266991 1068424805 /nfs/dbraw/zinc/42/48/05/1068424805.db2.gz VILGKLOSGVZIMV-UHFFFAOYSA-N 0 0 456.526 0.907 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000503267324 1068424767 /nfs/dbraw/zinc/42/47/67/1068424767.db2.gz SOBIHZJOJRNOGX-UHFFFAOYSA-N 0 0 481.534 0.946 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000503268221 1069972186 /nfs/dbraw/zinc/97/21/86/1069972186.db2.gz DOQJFDYGAKBKFQ-UHFFFAOYSA-N 0 0 497.577 0.862 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000503270883 1068423991 /nfs/dbraw/zinc/42/39/91/1068423991.db2.gz LZYSSAHCIBARCQ-UHFFFAOYSA-N 0 0 475.527 0.679 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000503291421 1068428726 /nfs/dbraw/zinc/42/87/26/1068428726.db2.gz MCVSOJAHAREWFS-UHFFFAOYSA-N 0 0 480.550 0.955 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3CN3CCOCC3)CC2)cc1 ZINC000503301673 1068428668 /nfs/dbraw/zinc/42/86/68/1068428668.db2.gz LUIJQDFHWSWZPI-UHFFFAOYSA-N 0 0 497.577 0.862 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)cc1 ZINC000503303383 1068428507 /nfs/dbraw/zinc/42/85/07/1068428507.db2.gz PNXFQXBQHIKJGH-UHFFFAOYSA-N 0 0 469.479 0.361 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000503304027 1068428708 /nfs/dbraw/zinc/42/87/08/1068428708.db2.gz QUQRZRLSKYZDMC-UHFFFAOYSA-N 0 0 471.539 0.537 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000503306561 1068429275 /nfs/dbraw/zinc/42/92/75/1068429275.db2.gz RGSMCHIQWOLABN-UHFFFAOYSA-N 0 0 457.512 0.469 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000503310230 1068429296 /nfs/dbraw/zinc/42/92/96/1068429296.db2.gz LOFBKSNKFKROQD-UHFFFAOYSA-N 0 0 481.534 0.946 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 ZINC000503318575 1068431615 /nfs/dbraw/zinc/43/16/15/1068431615.db2.gz ZOFCOZSBBHEXRG-UHFFFAOYSA-N 0 0 477.587 0.806 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000503345058 1068433984 /nfs/dbraw/zinc/43/39/84/1068433984.db2.gz REHMNTGSIRGARL-CALCHBBNSA-N 0 0 493.586 0.039 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000503345059 1068433860 /nfs/dbraw/zinc/43/38/60/1068433860.db2.gz REHMNTGSIRGARL-IAGOWNOFSA-N 0 0 493.586 0.039 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000503345060 1068433919 /nfs/dbraw/zinc/43/39/19/1068433919.db2.gz REHMNTGSIRGARL-IRXDYDNUSA-N 0 0 493.586 0.039 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000503492940 1068440245 /nfs/dbraw/zinc/44/02/45/1068440245.db2.gz LQMNJYHMHZFXIG-UHFFFAOYSA-N 0 0 463.541 0.422 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000503508343 1068441990 /nfs/dbraw/zinc/44/19/90/1068441990.db2.gz ANVAOYOZGKRELY-UHFFFAOYSA-N 0 0 463.541 0.422 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000503594281 1068445096 /nfs/dbraw/zinc/44/50/96/1068445096.db2.gz LTNDBGQDYWNIEU-IBGZPJMESA-N 0 0 483.598 0.808 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000503594282 1068444846 /nfs/dbraw/zinc/44/48/46/1068444846.db2.gz LTNDBGQDYWNIEU-LJQANCHMSA-N 0 0 483.598 0.808 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N(CCOC)[C@H]3CCS(=O)(=O)C3)n2c2ccccc2c1=O ZINC000503617739 1068454722 /nfs/dbraw/zinc/45/47/22/1068454722.db2.gz YPYXMXOYTWAWJH-HNNXBMFYSA-N 0 0 491.595 0.984 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N(CCOC)[C@@H]3CCS(=O)(=O)C3)n2c2ccccc2c1=O ZINC000503617746 1068454520 /nfs/dbraw/zinc/45/45/20/1068454520.db2.gz YPYXMXOYTWAWJH-OAHLLOKOSA-N 0 0 491.595 0.984 20 30 JCEDRN COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CC#N)CC2)c(C(=O)OC)c1C ZINC000503652398 1068457230 /nfs/dbraw/zinc/45/72/30/1068457230.db2.gz BHVMFXIDFZMNHV-UHFFFAOYSA-N 0 0 482.540 0.906 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(CC#N)CC#N ZINC000503656093 1068457245 /nfs/dbraw/zinc/45/72/45/1068457245.db2.gz QDVDQOCAYFHMAP-UHFFFAOYSA-N 0 0 481.556 0.264 20 30 JCEDRN N#CCN(CC#N)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000503666212 1068457315 /nfs/dbraw/zinc/45/73/15/1068457315.db2.gz KBIKOPJNURCTRG-UHFFFAOYSA-N 0 0 476.515 0.708 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000503691640 1068459583 /nfs/dbraw/zinc/45/95/83/1068459583.db2.gz YDXYXJLGRORBSX-OIISXLGYSA-N 0 0 462.553 0.434 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000503691641 1068459668 /nfs/dbraw/zinc/45/96/68/1068459668.db2.gz YDXYXJLGRORBSX-PVAVHDDUSA-N 0 0 462.553 0.434 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000503691642 1068459007 /nfs/dbraw/zinc/45/90/07/1068459007.db2.gz YDXYXJLGRORBSX-UAGQMJEPSA-N 0 0 462.553 0.434 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000503691643 1069975894 /nfs/dbraw/zinc/97/58/94/1069975894.db2.gz YDXYXJLGRORBSX-XIRDDKMYSA-N 0 0 462.553 0.434 20 30 JCEDRN Cn1c2ncc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cc2c(=O)n(C)c1=O ZINC000503703995 1068460283 /nfs/dbraw/zinc/46/02/83/1068460283.db2.gz MFSFQJZQPVCRKE-INIZCTEOSA-N 0 0 450.480 0.658 20 30 JCEDRN Cn1c2ncc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cc2c(=O)n(C)c1=O ZINC000503703996 1068460477 /nfs/dbraw/zinc/46/04/77/1068460477.db2.gz MFSFQJZQPVCRKE-MRXNPFEDSA-N 0 0 450.480 0.658 20 30 JCEDRN CN(CC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000503706999 1068461151 /nfs/dbraw/zinc/46/11/51/1068461151.db2.gz ZCJQNCFTVHMCFI-UHFFFAOYSA-N 0 0 469.567 0.639 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000503708381 1068461031 /nfs/dbraw/zinc/46/10/31/1068461031.db2.gz MYLXDRSTJRPJHR-IBGZPJMESA-N 0 0 499.574 0.833 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000503708382 1068461126 /nfs/dbraw/zinc/46/11/26/1068461126.db2.gz MYLXDRSTJRPJHR-LJQANCHMSA-N 0 0 499.574 0.833 20 30 JCEDRN Cn1c2[nH]c(CCC(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)nc2c(=O)[nH]c1=O ZINC000503733513 1068461904 /nfs/dbraw/zinc/46/19/04/1068461904.db2.gz WJWKNUQINNTXKL-CYBMUJFWSA-N 0 0 453.484 0.707 20 30 JCEDRN Cn1c2[nH]c(CCC(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)nc2c(=O)[nH]c1=O ZINC000503733514 1068461885 /nfs/dbraw/zinc/46/18/85/1068461885.db2.gz WJWKNUQINNTXKL-ZDUSSCGKSA-N 0 0 453.484 0.707 20 30 JCEDRN CC(C)C[C@]1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000503735172 1068462733 /nfs/dbraw/zinc/46/27/33/1068462733.db2.gz MCVVRBKYDBZDRH-NRFANRHFSA-N 0 0 461.544 0.748 20 30 JCEDRN CC(C)C[C@@]1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000503735180 1068462707 /nfs/dbraw/zinc/46/27/07/1068462707.db2.gz MCVVRBKYDBZDRH-OAQYLSRUSA-N 0 0 461.544 0.748 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)cc1 ZINC000503740795 1068462093 /nfs/dbraw/zinc/46/20/93/1068462093.db2.gz WJLCEJYNEROKBU-INIZCTEOSA-N 0 0 487.519 0.654 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)cc1 ZINC000503740807 1068462019 /nfs/dbraw/zinc/46/20/19/1068462019.db2.gz WJLCEJYNEROKBU-MRXNPFEDSA-N 0 0 487.519 0.654 20 30 JCEDRN Cn1c2ncn(CCC(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)c2c(=O)n(C)c1=O ZINC000503767578 1068463654 /nfs/dbraw/zinc/46/36/54/1068463654.db2.gz WPTGXVAAKXJZCE-HNNXBMFYSA-N 0 0 467.511 0.236 20 30 JCEDRN Cn1c2ncn(CCC(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)c2c(=O)n(C)c1=O ZINC000503767579 1068463795 /nfs/dbraw/zinc/46/37/95/1068463795.db2.gz WPTGXVAAKXJZCE-OAHLLOKOSA-N 0 0 467.511 0.236 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)CC1 ZINC000503782859 1068462621 /nfs/dbraw/zinc/46/26/21/1068462621.db2.gz WJEZMWCPRZHYOE-UHFFFAOYSA-N 0 0 482.478 0.709 20 30 JCEDRN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000503903952 1068467122 /nfs/dbraw/zinc/46/71/22/1068467122.db2.gz RPBZRVAAWIGUKD-HNNXBMFYSA-N 0 0 477.568 0.983 20 30 JCEDRN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000503903955 1068467207 /nfs/dbraw/zinc/46/72/07/1068467207.db2.gz RPBZRVAAWIGUKD-OAHLLOKOSA-N 0 0 477.568 0.983 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC2CCCCC2)c1=O ZINC000503968241 1068470826 /nfs/dbraw/zinc/47/08/26/1068470826.db2.gz KPTQSCJXRLZJGG-UHFFFAOYSA-N 0 0 484.626 0.175 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC2CCCCC2)CC1 ZINC000503978126 1068472318 /nfs/dbraw/zinc/47/23/18/1068472318.db2.gz ARXUITVYUPSFNU-UHFFFAOYSA-N 0 0 468.627 0.891 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000503989096 1068471476 /nfs/dbraw/zinc/47/14/76/1068471476.db2.gz FTDRIOKZMVPERZ-KRWDZBQOSA-N 0 0 454.618 0.904 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000503989097 1068471563 /nfs/dbraw/zinc/47/15/63/1068471563.db2.gz FTDRIOKZMVPERZ-QGZVFWFLSA-N 0 0 454.618 0.904 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CC1CCCCC1 ZINC000504004592 1068473754 /nfs/dbraw/zinc/47/37/54/1068473754.db2.gz HWTXITSBYAWIQI-UHFFFAOYSA-N 0 0 481.622 0.837 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000504022140 1068474403 /nfs/dbraw/zinc/47/44/03/1068474403.db2.gz PTBKYGCCEYGUCO-UHFFFAOYSA-N 0 0 462.619 0.993 20 30 JCEDRN C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000504060766 1068477377 /nfs/dbraw/zinc/47/73/77/1068477377.db2.gz PFDNLXDVFKJPKY-JTQLQIEISA-N 0 0 457.393 0.991 20 30 JCEDRN C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000504060767 1068477299 /nfs/dbraw/zinc/47/72/99/1068477299.db2.gz PFDNLXDVFKJPKY-SNVBAGLBSA-N 0 0 457.393 0.991 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)cc1 ZINC000504091790 1068478978 /nfs/dbraw/zinc/47/89/78/1068478978.db2.gz ZRPDVDMOEAIJEW-UHFFFAOYSA-N 0 0 469.570 0.483 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000504116072 1068479655 /nfs/dbraw/zinc/47/96/55/1068479655.db2.gz KPGCNKJNPUMUMK-UHFFFAOYSA-N 0 0 469.570 0.483 20 30 JCEDRN N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1C#N ZINC000504180668 1068481928 /nfs/dbraw/zinc/48/19/28/1068481928.db2.gz GDQCNRIRUIJWLU-UHFFFAOYSA-N 0 0 451.871 0.534 20 30 JCEDRN CCOC(=O)c1cnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1N ZINC000504199846 1069597113 /nfs/dbraw/zinc/59/71/13/1069597113.db2.gz UGUVFUAFJBLYPT-UHFFFAOYSA-N 0 0 490.567 0.732 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000504353322 1068485612 /nfs/dbraw/zinc/48/56/12/1068485612.db2.gz JXSYXLDHXDEXMT-UHFFFAOYSA-N 0 0 495.517 0.382 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnnn2-c2ccc(O)cc2)CC1 ZINC000504360513 1068486320 /nfs/dbraw/zinc/48/63/20/1068486320.db2.gz WDUIZGRTAWAANV-UHFFFAOYSA-N 0 0 485.551 0.865 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000504364193 1068486297 /nfs/dbraw/zinc/48/62/97/1068486297.db2.gz JYTNQQCOUHHMFA-UHFFFAOYSA-N 0 0 477.616 0.937 20 30 JCEDRN COCCCn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000504437692 1068487831 /nfs/dbraw/zinc/48/78/31/1068487831.db2.gz BWLTXMOBEPOSKD-UHFFFAOYSA-N 0 0 464.573 0.811 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1 ZINC000504546090 1068492936 /nfs/dbraw/zinc/49/29/36/1068492936.db2.gz CYOYDAZFNNAXEF-UHFFFAOYSA-N 0 0 453.484 0.446 20 30 JCEDRN CN(CC#N)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000504556443 1068492304 /nfs/dbraw/zinc/49/23/04/1068492304.db2.gz VFXSJKPHJSYRFS-UHFFFAOYSA-N 0 0 451.505 0.814 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(C)CC#N ZINC000504556596 1068492289 /nfs/dbraw/zinc/49/22/89/1068492289.db2.gz VPRXDCJVCQAKAE-UHFFFAOYSA-N 0 0 456.546 0.370 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000504561429 1068493051 /nfs/dbraw/zinc/49/30/51/1068493051.db2.gz RMPLPXWHVYOWMH-UHFFFAOYSA-N 0 0 457.578 0.246 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000504575694 1068493806 /nfs/dbraw/zinc/49/38/06/1068493806.db2.gz QNRXFSACJUACLA-UHFFFAOYSA-N 0 0 457.578 0.246 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000504577482 1068493769 /nfs/dbraw/zinc/49/37/69/1068493769.db2.gz KQFJTXVZMMOVAE-UHFFFAOYSA-N 0 0 465.395 0.863 20 30 JCEDRN N#Cc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000504636246 1068495191 /nfs/dbraw/zinc/49/51/91/1068495191.db2.gz DDJHLFWWEPQDDQ-UHFFFAOYSA-N 0 0 479.562 0.805 20 30 JCEDRN CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CC#N ZINC000504655282 1068495004 /nfs/dbraw/zinc/49/50/04/1068495004.db2.gz QMFSGDRXWSXSTQ-KRWDZBQOSA-N 0 0 454.574 0.541 20 30 JCEDRN CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CC#N ZINC000504655283 1068495219 /nfs/dbraw/zinc/49/52/19/1068495219.db2.gz QMFSGDRXWSXSTQ-QGZVFWFLSA-N 0 0 454.574 0.541 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O ZINC000504679584 1068495920 /nfs/dbraw/zinc/49/59/20/1068495920.db2.gz BDGOVZIZSMAZGM-UHFFFAOYSA-N 0 0 476.555 0.794 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1=O ZINC000504680136 1068495780 /nfs/dbraw/zinc/49/57/80/1068495780.db2.gz ILPPSGJLGCXJAB-UHFFFAOYSA-N 0 0 489.337 0.803 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O ZINC000504688203 1068495800 /nfs/dbraw/zinc/49/58/00/1068495800.db2.gz XGFTZSJQRXEFEM-UHFFFAOYSA-N 0 0 472.882 0.289 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1=O ZINC000504701570 1068495765 /nfs/dbraw/zinc/49/57/65/1068495765.db2.gz ACAKAJYIFPLFGU-UHFFFAOYSA-N 0 0 489.337 0.803 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)C1=O ZINC000504701691 1068495878 /nfs/dbraw/zinc/49/58/78/1068495878.db2.gz BDDVBYAMACPIHG-UHFFFAOYSA-N 0 0 476.555 0.730 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1=O ZINC000504702495 1067790319 /nfs/dbraw/zinc/79/03/19/1067790319.db2.gz HQYMIWAAJGLSRV-UHFFFAOYSA-N 0 0 454.892 0.150 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)c2c(N)n(CCCC)c(=O)[nH]c2=O)C1=O ZINC000504704073 1068496601 /nfs/dbraw/zinc/49/66/01/1068496601.db2.gz SOXNHDZTBUHENE-UHFFFAOYSA-N 0 0 482.497 0.841 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000504704181 1068496636 /nfs/dbraw/zinc/49/66/36/1068496636.db2.gz UEPOJAMOONJRBY-UHFFFAOYSA-N 0 0 489.337 0.803 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O ZINC000504704453 1068495856 /nfs/dbraw/zinc/49/58/56/1068495856.db2.gz WOZHJSUFSOUAIX-UHFFFAOYSA-N 0 0 474.539 0.375 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1=O ZINC000504712043 1068496651 /nfs/dbraw/zinc/49/66/51/1068496651.db2.gz MCFJMJIEGCJBEP-UHFFFAOYSA-N 0 0 494.526 0.410 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1=O ZINC000504729370 1067790166 /nfs/dbraw/zinc/79/01/66/1067790166.db2.gz JRSKUJIUXPNVND-UHFFFAOYSA-N 0 0 462.528 0.620 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1=O ZINC000504739166 1068496574 /nfs/dbraw/zinc/49/65/74/1068496574.db2.gz BOJXRHAQYZFLJE-UHFFFAOYSA-N 0 0 477.543 0.843 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)C1=O ZINC000504739219 1068496779 /nfs/dbraw/zinc/49/67/79/1068496779.db2.gz BXFHIKLJWKJMID-UHFFFAOYSA-N 0 0 464.500 0.785 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1=O ZINC000504741802 1068496829 /nfs/dbraw/zinc/49/68/29/1068496829.db2.gz MYRBKJRZTUJQAF-UHFFFAOYSA-N 0 0 489.337 0.803 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)C1=O ZINC000504743324 1068496668 /nfs/dbraw/zinc/49/66/68/1068496668.db2.gz VIZDPLCRIWVSBZ-UHFFFAOYSA-N 0 0 462.528 0.449 20 30 JCEDRN COc1cccc(-c2nnn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)c1 ZINC000504818429 1068498005 /nfs/dbraw/zinc/49/80/05/1068498005.db2.gz KAVDCTNAZWPBPF-UHFFFAOYSA-N 0 0 467.511 0.753 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CCOc2ccc(Br)cc2)c1=O ZINC000504912319 1067791163 /nfs/dbraw/zinc/79/11/63/1067791163.db2.gz UMPODBRQTWBYCV-UHFFFAOYSA-N 0 0 479.331 0.844 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)c(F)c1 ZINC000504970805 1068501366 /nfs/dbraw/zinc/50/13/66/1068501366.db2.gz JJGCPWWSUHUBPA-UHFFFAOYSA-N 0 0 459.459 0.601 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)c(F)c1 ZINC000504971593 1068501511 /nfs/dbraw/zinc/50/15/11/1068501511.db2.gz UJZQIEPTEVBKGF-UHFFFAOYSA-N 0 0 471.514 0.780 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)c(F)c1 ZINC000504971758 1068501267 /nfs/dbraw/zinc/50/12/67/1068501267.db2.gz WOCVVDLPVYQHNC-UHFFFAOYSA-N 0 0 471.514 0.780 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000504989849 1068502981 /nfs/dbraw/zinc/50/29/81/1068502981.db2.gz BABOYUBMNCJDBP-INIZCTEOSA-N 0 0 453.520 0.665 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000504989850 1068503000 /nfs/dbraw/zinc/50/30/00/1068503000.db2.gz BABOYUBMNCJDBP-MRXNPFEDSA-N 0 0 453.520 0.665 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c(OC)c1OC ZINC000504997180 1068502034 /nfs/dbraw/zinc/50/20/34/1068502034.db2.gz XYJNJTWNBGJPOE-INIZCTEOSA-N 0 0 485.562 0.896 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c(OC)c1OC ZINC000504997181 1068502270 /nfs/dbraw/zinc/50/22/70/1068502270.db2.gz XYJNJTWNBGJPOE-MRXNPFEDSA-N 0 0 485.562 0.896 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000505009863 1068503396 /nfs/dbraw/zinc/50/33/96/1068503396.db2.gz YKPPDOIVHDRWDX-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000505061815 1068504268 /nfs/dbraw/zinc/50/42/68/1068504268.db2.gz ZMGWKLYINLBDQL-AEFFLSMTSA-N 0 0 470.595 0.986 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000505061816 1068504228 /nfs/dbraw/zinc/50/42/28/1068504228.db2.gz ZMGWKLYINLBDQL-FUHWJXTLSA-N 0 0 470.595 0.986 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000505061817 1068503986 /nfs/dbraw/zinc/50/39/86/1068503986.db2.gz ZMGWKLYINLBDQL-SJLPKXTDSA-N 0 0 470.595 0.986 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000505061818 1068504004 /nfs/dbraw/zinc/50/40/04/1068504004.db2.gz ZMGWKLYINLBDQL-WMZOPIPTSA-N 0 0 470.595 0.986 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000505086931 1068504523 /nfs/dbraw/zinc/50/45/23/1068504523.db2.gz YRNRWNVORKJIIH-UHFFFAOYSA-N 0 0 463.541 0.422 20 30 JCEDRN Cn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000505095247 1068505116 /nfs/dbraw/zinc/50/51/16/1068505116.db2.gz UXQWOSIVASLIAA-UHFFFAOYSA-N 0 0 461.927 0.623 20 30 JCEDRN N#Cc1cc(C#N)c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1N ZINC000505098034 1069599152 /nfs/dbraw/zinc/59/91/52/1069599152.db2.gz IWPJTQMBBQPNHL-UHFFFAOYSA-N 0 0 467.536 0.904 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2C2CC2)CC1 ZINC000505099781 1068504997 /nfs/dbraw/zinc/50/49/97/1068504997.db2.gz VXZKHWVDFQUIRT-UHFFFAOYSA-N 0 0 453.524 0.820 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000505101548 1068505197 /nfs/dbraw/zinc/50/51/97/1068505197.db2.gz WXZVJTWNPHGRSM-UHFFFAOYSA-N 0 0 463.541 0.422 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000505114433 1068505847 /nfs/dbraw/zinc/50/58/47/1068505847.db2.gz PULGQZAYNRHBNU-UHFFFAOYSA-N 0 0 465.395 0.235 20 30 JCEDRN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(C#N)cc1 ZINC000505357615 1068510423 /nfs/dbraw/zinc/51/04/23/1068510423.db2.gz MRXMYWZGFNYUPR-HNNXBMFYSA-N 0 0 477.568 0.983 20 30 JCEDRN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(C#N)cc1 ZINC000505357616 1068510551 /nfs/dbraw/zinc/51/05/51/1068510551.db2.gz MRXMYWZGFNYUPR-OAHLLOKOSA-N 0 0 477.568 0.983 20 30 JCEDRN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000505362014 1068510906 /nfs/dbraw/zinc/51/09/06/1068510906.db2.gz JXINERQOSZNEGA-KRWDZBQOSA-N 0 0 461.588 0.770 20 30 JCEDRN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000505362015 1068510991 /nfs/dbraw/zinc/51/09/91/1068510991.db2.gz JXINERQOSZNEGA-QGZVFWFLSA-N 0 0 461.588 0.770 20 30 JCEDRN N#Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000505617167 1068761324 /nfs/dbraw/zinc/76/13/24/1068761324.db2.gz DAUXFENMMQWLCO-UHFFFAOYSA-N 0 0 453.524 0.641 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000505625844 1068763507 /nfs/dbraw/zinc/76/35/07/1068763507.db2.gz YSZUEVMLZUKVGI-FQEVSTJZSA-N 0 0 490.607 0.989 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000505625845 1068763715 /nfs/dbraw/zinc/76/37/15/1068763715.db2.gz YSZUEVMLZUKVGI-HXUWFJFHSA-N 0 0 490.607 0.989 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000505658936 1068769482 /nfs/dbraw/zinc/76/94/82/1068769482.db2.gz PQTFEMGXQCNVJA-UHFFFAOYSA-N 0 0 450.542 0.693 20 30 JCEDRN N#Cc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000505712332 1068790127 /nfs/dbraw/zinc/79/01/27/1068790127.db2.gz AHMZTWQRKCLUFR-UHFFFAOYSA-N 0 0 453.524 0.641 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)cc1OC ZINC000505751685 1068819475 /nfs/dbraw/zinc/81/94/75/1068819475.db2.gz VQXLBDFQMRMZOG-UHFFFAOYSA-N 0 0 475.527 0.282 20 30 JCEDRN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(=O)c(C#N)c1C ZINC000505785932 1068841948 /nfs/dbraw/zinc/84/19/48/1068841948.db2.gz XHYOCRZMAFDKPJ-UHFFFAOYSA-N 0 0 451.455 0.543 20 30 JCEDRN COC(=O)Cc1c(C(=O)OC)sc(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1C(=O)OC ZINC000505786145 1068841420 /nfs/dbraw/zinc/84/14/20/1068841420.db2.gz YLCKSEWKUKSSFI-UHFFFAOYSA-N 0 0 476.467 0.721 20 30 JCEDRN COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1OCC(N)=O ZINC000505807683 1068850896 /nfs/dbraw/zinc/85/08/96/1068850896.db2.gz SOLXWMNNWPCAFD-UHFFFAOYSA-N 0 0 487.538 0.647 20 30 JCEDRN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(=O)c(C#N)c1C ZINC000505815970 1068857340 /nfs/dbraw/zinc/85/73/40/1068857340.db2.gz RUWWTNYQEVJLPS-UHFFFAOYSA-N 0 0 455.540 0.754 20 30 JCEDRN COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1OCC(N)=O ZINC000505816989 1068859190 /nfs/dbraw/zinc/85/91/90/1068859190.db2.gz DMHLOIPQCJLKCC-UHFFFAOYSA-N 0 0 487.538 0.647 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000505847721 1068894952 /nfs/dbraw/zinc/89/49/52/1068894952.db2.gz FERGXEYBPWRKPH-UHFFFAOYSA-N 0 0 450.546 0.687 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000505848110 1068893058 /nfs/dbraw/zinc/89/30/58/1068893058.db2.gz MKNNZYCSWCPKSY-UHFFFAOYSA-N 0 0 480.572 0.646 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000505852852 1068915178 /nfs/dbraw/zinc/91/51/78/1068915178.db2.gz BGERUSDUIAABSP-UHFFFAOYSA-N 0 0 468.561 0.502 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000505853554 1068914213 /nfs/dbraw/zinc/91/42/13/1068914213.db2.gz OZDPFUZKDJLMOT-UHFFFAOYSA-N 0 0 468.561 0.502 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000505853564 1068914411 /nfs/dbraw/zinc/91/44/11/1068914411.db2.gz PCMZHGHCIVZTLO-UHFFFAOYSA-N 0 0 466.545 0.256 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000505853630 1068914258 /nfs/dbraw/zinc/91/42/58/1068914258.db2.gz QHYBHSLGWBSPHG-UHFFFAOYSA-N 0 0 452.562 0.883 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000505859539 1068920983 /nfs/dbraw/zinc/92/09/83/1068920983.db2.gz YAFWUCKELVFYOD-UHFFFAOYSA-N 0 0 453.506 0.393 20 30 JCEDRN C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000505868033 1068925997 /nfs/dbraw/zinc/92/59/97/1068925997.db2.gz KEBPCXFXHYAMSM-UHFFFAOYSA-N 0 0 450.546 0.687 20 30 JCEDRN C=CCn1nnnc1SCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000505903993 1068955315 /nfs/dbraw/zinc/95/53/15/1068955315.db2.gz YGHZGVKXTJYOTP-UHFFFAOYSA-N 0 0 454.534 0.619 20 30 JCEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000505937961 1068989220 /nfs/dbraw/zinc/98/92/20/1068989220.db2.gz IVCWAILRRCAXGB-KRWDZBQOSA-N 0 0 465.576 0.178 20 30 JCEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000505937962 1068989186 /nfs/dbraw/zinc/98/91/86/1068989186.db2.gz IVCWAILRRCAXGB-QGZVFWFLSA-N 0 0 465.576 0.178 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)cc1 ZINC000505945175 1068989770 /nfs/dbraw/zinc/98/97/70/1068989770.db2.gz YKEUWJWJODTPIF-KRWDZBQOSA-N 0 0 452.577 0.450 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)cc1 ZINC000505945176 1068989929 /nfs/dbraw/zinc/98/99/29/1068989929.db2.gz YKEUWJWJODTPIF-QGZVFWFLSA-N 0 0 452.577 0.450 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1 ZINC000505960618 1068997372 /nfs/dbraw/zinc/99/73/72/1068997372.db2.gz PSPRSRAKNIWBEW-KRWDZBQOSA-N 0 0 452.577 0.450 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)c1 ZINC000505960619 1068997509 /nfs/dbraw/zinc/99/75/09/1068997509.db2.gz PSPRSRAKNIWBEW-QGZVFWFLSA-N 0 0 452.577 0.450 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)cc1 ZINC000505972892 1069002807 /nfs/dbraw/zinc/00/28/07/1069002807.db2.gz BXWYLUGOHJQUHA-UHFFFAOYSA-N 0 0 491.595 0.694 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000505973851 1069003261 /nfs/dbraw/zinc/00/32/61/1069003261.db2.gz PAESGUINJQSVKU-UHFFFAOYSA-N 0 0 491.595 0.694 20 30 JCEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000505987240 1069010209 /nfs/dbraw/zinc/01/02/09/1069010209.db2.gz PCDCJSZOMZXFPX-GOSISDBHSA-N 0 0 455.563 0.836 20 30 JCEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000505987241 1069010149 /nfs/dbraw/zinc/01/01/49/1069010149.db2.gz PCDCJSZOMZXFPX-SFHVURJKSA-N 0 0 455.563 0.836 20 30 JCEDRN CNC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC ZINC000505989489 1069009630 /nfs/dbraw/zinc/00/96/30/1069009630.db2.gz ADDSOOXUVNUCJE-UHFFFAOYSA-N 0 0 472.523 0.838 20 30 JCEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000505993010 1069012068 /nfs/dbraw/zinc/01/20/68/1069012068.db2.gz UEFCUIXUABGXMI-KRWDZBQOSA-N 0 0 450.561 0.158 20 30 JCEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000505993011 1069011737 /nfs/dbraw/zinc/01/17/37/1069011737.db2.gz UEFCUIXUABGXMI-QGZVFWFLSA-N 0 0 450.561 0.158 20 30 JCEDRN CNC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC ZINC000506039655 1069036766 /nfs/dbraw/zinc/03/67/66/1069036766.db2.gz AORLSPZJWUWMNL-UHFFFAOYSA-N 0 0 472.523 0.838 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)CC1 ZINC000506087967 1069048530 /nfs/dbraw/zinc/04/85/30/1069048530.db2.gz VIJXDGNWDVZIFG-UHFFFAOYSA-N 0 0 477.631 0.987 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000506158426 1069100658 /nfs/dbraw/zinc/10/06/58/1069100658.db2.gz UVNJNJWORBNWOV-UHFFFAOYSA-N 0 0 458.544 0.910 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000506166781 1069105026 /nfs/dbraw/zinc/10/50/26/1069105026.db2.gz QEELNPKQNYEWGN-UHFFFAOYSA-N 0 0 458.544 0.910 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000506212855 1069129171 /nfs/dbraw/zinc/12/91/71/1069129171.db2.gz RYLASAGDLUVRJE-UHFFFAOYSA-N 0 0 473.559 0.359 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000506233309 1069134207 /nfs/dbraw/zinc/13/42/07/1069134207.db2.gz NOQYZVGWBSLLBF-UHFFFAOYSA-N 0 0 463.497 0.965 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)cc1 ZINC000506237935 1069133185 /nfs/dbraw/zinc/13/31/85/1069133185.db2.gz JJENBOZKECPUMJ-UHFFFAOYSA-N 0 0 473.559 0.359 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)c1=O ZINC000506283169 1069159930 /nfs/dbraw/zinc/15/99/30/1069159930.db2.gz YSRXAYWTAWGGEK-UHFFFAOYSA-N 0 0 457.443 0.053 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000506381856 1069219806 /nfs/dbraw/zinc/21/98/06/1069219806.db2.gz OHYQIOLKCHBXRK-NRFANRHFSA-N 0 0 482.628 0.756 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000506381865 1069219819 /nfs/dbraw/zinc/21/98/19/1069219819.db2.gz OHYQIOLKCHBXRK-OAQYLSRUSA-N 0 0 482.628 0.756 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCN(C(=O)C5CC5)CC4)nc3)CC2)nc1 ZINC000506399753 1069226809 /nfs/dbraw/zinc/22/68/09/1069226809.db2.gz VKQHQOLRFGZXDZ-UHFFFAOYSA-N 0 0 488.552 0.694 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000506420149 1069230411 /nfs/dbraw/zinc/23/04/11/1069230411.db2.gz CKFSMACHDQXSQH-UHFFFAOYSA-N 0 0 470.507 0.844 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c1 ZINC000506425914 1069233408 /nfs/dbraw/zinc/23/34/08/1069233408.db2.gz DAHSNHOSRUHIDJ-UHFFFAOYSA-N 0 0 475.509 0.705 20 30 JCEDRN Cn1c2ncc(NC(=O)C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2c(=O)n(C)c1=O ZINC000506438077 1069236459 /nfs/dbraw/zinc/23/64/59/1069236459.db2.gz DBNQEOTUTIGVGZ-UHFFFAOYSA-N 0 0 489.492 0.320 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1 ZINC000506473254 1069246177 /nfs/dbraw/zinc/24/61/77/1069246177.db2.gz WZDXRSOWXCRHGV-UHFFFAOYSA-N 0 0 463.541 0.155 20 30 JCEDRN CN1Cc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1 ZINC000506495925 1069250691 /nfs/dbraw/zinc/25/06/91/1069250691.db2.gz OWDFWMOKIBIQTK-UHFFFAOYSA-N 0 0 453.524 0.975 20 30 JCEDRN CN(CC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000506507646 1069253743 /nfs/dbraw/zinc/25/37/43/1069253743.db2.gz XKLPZWOWNJMBIL-UHFFFAOYSA-N 0 0 467.511 0.725 20 30 JCEDRN COC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000506507764 1069253521 /nfs/dbraw/zinc/25/35/21/1069253521.db2.gz DMTAAKKMHYSELW-UHFFFAOYSA-N 0 0 491.551 0.774 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)cc1 ZINC000506529884 1069260426 /nfs/dbraw/zinc/26/04/26/1069260426.db2.gz DULVNUKMLYIZKV-UHFFFAOYSA-N 0 0 484.538 0.261 20 30 JCEDRN CN1Cc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1 ZINC000506537269 1069262890 /nfs/dbraw/zinc/26/28/90/1069262890.db2.gz BDQZYZKJRPFJSV-UHFFFAOYSA-N 0 0 453.524 0.975 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000506542272 1069265337 /nfs/dbraw/zinc/26/53/37/1069265337.db2.gz TWERMVPQEMYZRW-UHFFFAOYSA-N 0 0 484.538 0.261 20 30 JCEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000506544998 1069267853 /nfs/dbraw/zinc/26/78/53/1069267853.db2.gz GYGNPKOHZCHHFO-CALCHBBNSA-N 0 0 493.586 0.782 20 30 JCEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000506544999 1069267671 /nfs/dbraw/zinc/26/76/71/1069267671.db2.gz GYGNPKOHZCHHFO-IAGOWNOFSA-N 0 0 493.586 0.782 20 30 JCEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000506545000 1069267698 /nfs/dbraw/zinc/26/76/98/1069267698.db2.gz GYGNPKOHZCHHFO-IRXDYDNUSA-N 0 0 493.586 0.782 20 30 JCEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000506549173 1069269953 /nfs/dbraw/zinc/26/99/53/1069269953.db2.gz XSWRFKADDINKPX-UHFFFAOYSA-N 0 0 465.532 0.005 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 ZINC000506577000 1069282846 /nfs/dbraw/zinc/28/28/46/1069282846.db2.gz KZTQGWIVHUUPPR-UHFFFAOYSA-N 0 0 452.514 0.548 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCN(C(=O)C5CC5)CC4)nc3)CC2)c1 ZINC000506600209 1069291632 /nfs/dbraw/zinc/29/16/32/1069291632.db2.gz ZSUHNOZUZUVZPH-UHFFFAOYSA-N 0 0 488.552 0.694 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 ZINC000506623277 1069297942 /nfs/dbraw/zinc/29/79/42/1069297942.db2.gz CNIADPBALRYUST-UHFFFAOYSA-N 0 0 488.552 0.694 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 ZINC000506821942 1069344926 /nfs/dbraw/zinc/34/49/26/1069344926.db2.gz QJZRXCCFKGGRCW-UHFFFAOYSA-N 0 0 452.514 0.548 20 30 JCEDRN N#Cc1cccnc1N1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000506931571 1069369130 /nfs/dbraw/zinc/36/91/30/1069369130.db2.gz OPSXFRDXSXEGCE-UHFFFAOYSA-N 0 0 465.533 0.997 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000506968408 1069369930 /nfs/dbraw/zinc/36/99/30/1069369930.db2.gz KNVJAUCIFAAGLO-CABCVRRESA-N 0 0 473.511 0.490 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000506968422 1069370093 /nfs/dbraw/zinc/37/00/93/1069370093.db2.gz KNVJAUCIFAAGLO-GJZGRUSLSA-N 0 0 473.511 0.490 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000506968424 1069369744 /nfs/dbraw/zinc/36/97/44/1069369744.db2.gz KNVJAUCIFAAGLO-HUUCEWRRSA-N 0 0 473.511 0.490 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000506968426 1069369796 /nfs/dbraw/zinc/36/97/96/1069369796.db2.gz KNVJAUCIFAAGLO-LSDHHAIUSA-N 0 0 473.511 0.490 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c(OCC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000507034870 1069372474 /nfs/dbraw/zinc/37/24/74/1069372474.db2.gz JGCCAOBLJUVZRC-UHFFFAOYSA-N 0 0 485.562 0.874 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCN2CCOCC2)c1=O ZINC000507075492 1069374395 /nfs/dbraw/zinc/37/43/95/1069374395.db2.gz BGQHROFJPNRCPB-UHFFFAOYSA-N 0 0 472.586 0.965 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O ZINC000507077942 1069375032 /nfs/dbraw/zinc/37/50/32/1069375032.db2.gz JCTISHZZLHHHMX-UHFFFAOYSA-N 0 0 456.543 0.471 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(F)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000507078254 1069374789 /nfs/dbraw/zinc/37/47/89/1069374789.db2.gz JZRDEFWVFURMSP-UHFFFAOYSA-N 0 0 458.559 0.719 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCN2CCOCC2)c1=O ZINC000507078269 1069375044 /nfs/dbraw/zinc/37/50/44/1069375044.db2.gz KCLMJCGRFKJJFS-UHFFFAOYSA-N 0 0 470.570 0.815 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(F)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000507079496 1069375510 /nfs/dbraw/zinc/37/55/10/1069375510.db2.gz OCGYNHQHBOELHB-UHFFFAOYSA-N 0 0 456.543 0.495 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000507079577 1069375594 /nfs/dbraw/zinc/37/55/94/1069375594.db2.gz OVXNVZLKIDYEOX-GOSISDBHSA-N 0 0 457.527 0.898 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000507079578 1069375413 /nfs/dbraw/zinc/37/54/13/1069375413.db2.gz OVXNVZLKIDYEOX-SFHVURJKSA-N 0 0 457.527 0.898 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCN2CCOCC2)c1=O ZINC000507079871 1069375377 /nfs/dbraw/zinc/37/53/77/1069375377.db2.gz PFKFZEMPGAFXTD-UHFFFAOYSA-N 0 0 486.569 0.051 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCN1CCOCC1 ZINC000507079891 1069374663 /nfs/dbraw/zinc/37/46/63/1069374663.db2.gz PJVUOWMSTKLCGO-UHFFFAOYSA-N 0 0 456.543 0.495 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCN1CCOCC1 ZINC000507080504 1069375349 /nfs/dbraw/zinc/37/53/49/1069375349.db2.gz UPIZYRHEEHERID-KRWDZBQOSA-N 0 0 488.585 0.344 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCN1CCOCC1 ZINC000507080505 1069375431 /nfs/dbraw/zinc/37/54/31/1069375431.db2.gz UPIZYRHEEHERID-QGZVFWFLSA-N 0 0 488.585 0.344 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCN1CCOCC1 ZINC000507080553 1069375498 /nfs/dbraw/zinc/37/54/98/1069375498.db2.gz VCQLFICPXQNXPV-UHFFFAOYSA-N 0 0 458.559 0.719 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCN1CCOCC1 ZINC000507081156 1069375602 /nfs/dbraw/zinc/37/56/02/1069375602.db2.gz XZRKXRLECWSJBY-UHFFFAOYSA-N 0 0 488.585 0.345 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O ZINC000507081335 1069375699 /nfs/dbraw/zinc/37/56/99/1069375699.db2.gz YVBOLKBBDHEXPI-UHFFFAOYSA-N 0 0 458.559 0.717 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O ZINC000507081345 1069375691 /nfs/dbraw/zinc/37/56/91/1069375691.db2.gz YXYCBQIBOWREHX-UHFFFAOYSA-N 0 0 472.586 0.965 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O ZINC000507083921 1069375648 /nfs/dbraw/zinc/37/56/48/1069375648.db2.gz BEGLNUJKULDDEA-UHFFFAOYSA-N 0 0 456.543 0.644 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)cc1OC ZINC000507084354 1069375582 /nfs/dbraw/zinc/37/55/82/1069375582.db2.gz BSWYBYQZYOEOKV-UHFFFAOYSA-N 0 0 473.551 0.926 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC)c2=O)cc1OC ZINC000507084880 1069375448 /nfs/dbraw/zinc/37/54/48/1069375448.db2.gz CQQYZUPOUUKWOD-UHFFFAOYSA-N 0 0 473.551 0.707 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)cc2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000507085436 1069376247 /nfs/dbraw/zinc/37/62/47/1069376247.db2.gz KHFYXQIFSVVVIJ-UHFFFAOYSA-N 0 0 473.526 0.672 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC)c2=O)cc1OC ZINC000507086412 1069376168 /nfs/dbraw/zinc/37/61/68/1069376168.db2.gz HMQLQOWAPHIKKN-UHFFFAOYSA-N 0 0 461.540 0.611 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1OC ZINC000507086898 1069376004 /nfs/dbraw/zinc/37/60/04/1069376004.db2.gz NRQPPEBPCUMPTG-HNNXBMFYSA-N 0 0 473.551 0.661 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1OC ZINC000507086902 1069376097 /nfs/dbraw/zinc/37/60/97/1069376097.db2.gz NRQPPEBPCUMPTG-OAHLLOKOSA-N 0 0 473.551 0.661 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)cc1OC ZINC000507088105 1069376116 /nfs/dbraw/zinc/37/61/16/1069376116.db2.gz RPTIVPYMIRSXGH-UHFFFAOYSA-N 0 0 486.594 0.530 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCCC(=O)OC ZINC000507088259 1069376021 /nfs/dbraw/zinc/37/60/21/1069376021.db2.gz MLURBVJNHMHFIB-UHFFFAOYSA-N 0 0 461.515 0.576 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1OC ZINC000507090425 1069374913 /nfs/dbraw/zinc/37/49/13/1069374913.db2.gz YHWQEIAXNYNIQV-UHFFFAOYSA-N 0 0 459.524 0.225 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C)c2=O)cc1OC ZINC000507091840 1069374935 /nfs/dbraw/zinc/37/49/35/1069374935.db2.gz YDXZACJPMUCKDN-UHFFFAOYSA-N 0 0 461.540 0.518 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3cccnn3)CC2)CC1 ZINC000507235056 1069379914 /nfs/dbraw/zinc/37/99/14/1069379914.db2.gz PQCGINFDPXROEW-UHFFFAOYSA-N 0 0 455.544 0.003 20 30 JCEDRN COCCN(C(=O)CN1CCN(c2ccccc2C#N)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000507301557 1069382367 /nfs/dbraw/zinc/38/23/67/1069382367.db2.gz FTVSFXQHWMSWJK-UHFFFAOYSA-N 0 0 483.573 0.860 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000507436237 1069386374 /nfs/dbraw/zinc/38/63/74/1069386374.db2.gz NWSYFEFCYQBRKP-UHFFFAOYSA-N 0 0 455.537 0.894 20 30 JCEDRN CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c([N+](=O)[O-])c1 ZINC000507436562 1069386396 /nfs/dbraw/zinc/38/63/96/1069386396.db2.gz VMHLSFDZJNYZQE-UHFFFAOYSA-N 0 0 451.486 0.776 20 30 JCEDRN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000507452984 1069386960 /nfs/dbraw/zinc/38/69/60/1069386960.db2.gz XWDIHKUWZARYQI-UHFFFAOYSA-N 0 0 468.513 0.645 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1 ZINC000507490278 1069390426 /nfs/dbraw/zinc/39/04/26/1069390426.db2.gz GXQBLLQJVBGORM-KRWDZBQOSA-N 0 0 452.577 0.450 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)c1 ZINC000507490279 1069390134 /nfs/dbraw/zinc/39/01/34/1069390134.db2.gz GXQBLLQJVBGORM-QGZVFWFLSA-N 0 0 452.577 0.450 20 30 JCEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c1 ZINC000507492077 1069390337 /nfs/dbraw/zinc/39/03/37/1069390337.db2.gz GSRGIHGTKKQXTA-UHFFFAOYSA-N 0 0 452.514 0.666 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 ZINC000507492411 1069390059 /nfs/dbraw/zinc/39/00/59/1069390059.db2.gz HQPUCIQWESRMLR-UHFFFAOYSA-N 0 0 464.525 0.825 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 ZINC000507495814 1069388892 /nfs/dbraw/zinc/38/88/92/1069388892.db2.gz CYPXHMQGPYAIFC-UHFFFAOYSA-N 0 0 484.522 0.136 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 ZINC000507502698 1069390940 /nfs/dbraw/zinc/39/09/40/1069390940.db2.gz KMJIUZAUYSDXHO-UHFFFAOYSA-N 0 0 450.498 0.420 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000507508201 1069391471 /nfs/dbraw/zinc/39/14/71/1069391471.db2.gz XQDRMJCVVVZGMD-INIZCTEOSA-N 0 0 456.546 0.137 20 30 JCEDRN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000507508212 1069391632 /nfs/dbraw/zinc/39/16/32/1069391632.db2.gz XQDRMJCVVVZGMD-MRXNPFEDSA-N 0 0 456.546 0.137 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1[N+](=O)[O-] ZINC000507513358 1069392012 /nfs/dbraw/zinc/39/20/12/1069392012.db2.gz JYRVWFUXPLSCDE-UHFFFAOYSA-N 0 0 467.485 0.565 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000507528061 1069393002 /nfs/dbraw/zinc/39/30/02/1069393002.db2.gz HLVSYXKEFHVZDK-KRWDZBQOSA-N 0 0 456.546 0.137 20 30 JCEDRN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000507528062 1069392899 /nfs/dbraw/zinc/39/28/99/1069392899.db2.gz HLVSYXKEFHVZDK-QGZVFWFLSA-N 0 0 456.546 0.137 20 30 JCEDRN Cc1nn(C)c2ncc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc12 ZINC000507531906 1069393416 /nfs/dbraw/zinc/39/34/16/1069393416.db2.gz OAWMNLMDLWWWRH-UHFFFAOYSA-N 0 0 460.541 0.844 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c1 ZINC000507534667 1069392524 /nfs/dbraw/zinc/39/25/24/1069392524.db2.gz RLGQZAGRGNEIEK-UHFFFAOYSA-N 0 0 456.527 0.497 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cn1 ZINC000507541952 1069394483 /nfs/dbraw/zinc/39/44/83/1069394483.db2.gz JKUSUUAHEWPOSR-UHFFFAOYSA-N 0 0 497.942 0.633 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cn1 ZINC000507542842 1069394585 /nfs/dbraw/zinc/39/45/85/1069394585.db2.gz FYCQQLRZHOPQMB-UHFFFAOYSA-N 0 0 450.527 0.653 20 30 JCEDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000507571105 1069395584 /nfs/dbraw/zinc/39/55/84/1069395584.db2.gz TYNFRDYDHFVZCK-UHFFFAOYSA-N 0 0 451.486 0.865 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000507930269 1069511626 /nfs/dbraw/zinc/51/16/26/1069511626.db2.gz WUMDNLMKOVQBNN-MSOLQXFVSA-N 0 0 489.554 0.637 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000507930270 1069511662 /nfs/dbraw/zinc/51/16/62/1069511662.db2.gz WUMDNLMKOVQBNN-QZTJIDSGSA-N 0 0 489.554 0.637 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000507930271 1069511679 /nfs/dbraw/zinc/51/16/79/1069511679.db2.gz WUMDNLMKOVQBNN-ROUUACIJSA-N 0 0 489.554 0.637 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000507930272 1069511694 /nfs/dbraw/zinc/51/16/94/1069511694.db2.gz WUMDNLMKOVQBNN-ZWKOTPCHSA-N 0 0 489.554 0.637 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 ZINC000507971067 1069512776 /nfs/dbraw/zinc/51/27/76/1069512776.db2.gz WSPGJSRQPJCZLU-UHFFFAOYSA-N 0 0 464.525 0.810 20 30 JCEDRN COc1cc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc(OC)c1OC ZINC000508021400 1069515678 /nfs/dbraw/zinc/51/56/78/1069515678.db2.gz GIXSBRIGXPLJDS-KRWDZBQOSA-N 0 0 488.522 0.828 20 30 JCEDRN COc1cc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc(OC)c1OC ZINC000508021401 1069516206 /nfs/dbraw/zinc/51/62/06/1069516206.db2.gz GIXSBRIGXPLJDS-QGZVFWFLSA-N 0 0 488.522 0.828 20 30 JCEDRN Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)cn1 ZINC000508061542 1069516792 /nfs/dbraw/zinc/51/67/92/1069516792.db2.gz XDMFOWAMHQICOI-UHFFFAOYSA-N 0 0 458.544 0.894 20 30 JCEDRN C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000508089449 1069517285 /nfs/dbraw/zinc/51/72/85/1069517285.db2.gz POJHDGQTJVVFCB-CYBMUJFWSA-N 0 0 469.951 0.738 20 30 JCEDRN C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000508089452 1069517622 /nfs/dbraw/zinc/51/76/22/1069517622.db2.gz POJHDGQTJVVFCB-ZDUSSCGKSA-N 0 0 469.951 0.738 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 ZINC000508279471 1069525232 /nfs/dbraw/zinc/52/52/32/1069525232.db2.gz NQWKKPCRZIGIMD-UHFFFAOYSA-N 0 0 452.580 0.759 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc4ncc(Br)cn4n3)CC2)cc1 ZINC000508295029 1069526351 /nfs/dbraw/zinc/52/63/51/1069526351.db2.gz GIVBZZXPHQVROW-UHFFFAOYSA-N 0 0 476.316 0.905 20 30 JCEDRN COc1cccc(-n2c(=O)c(=Cc3cccs3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000508298837 1069526298 /nfs/dbraw/zinc/52/62/98/1069526298.db2.gz JRCSKQRYJYRNRQ-UHFFFAOYSA-N 0 0 496.614 0.921 20 30 JCEDRN C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)C1CC1 ZINC000508368935 1069528362 /nfs/dbraw/zinc/52/83/62/1069528362.db2.gz IDNAGEJPMIHGRY-FQEVSTJZSA-N 0 0 481.962 0.786 20 30 JCEDRN C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)C1CC1 ZINC000508368974 1069528280 /nfs/dbraw/zinc/52/82/80/1069528280.db2.gz IDNAGEJPMIHGRY-HXUWFJFHSA-N 0 0 481.962 0.786 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 ZINC000508381289 1069546288 /nfs/dbraw/zinc/54/62/88/1069546288.db2.gz XKSWZILLSPTZBL-MSOLQXFVSA-N 0 0 489.554 0.325 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 ZINC000508381290 1069546341 /nfs/dbraw/zinc/54/63/41/1069546341.db2.gz XKSWZILLSPTZBL-QZTJIDSGSA-N 0 0 489.554 0.325 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 ZINC000508381291 1069546518 /nfs/dbraw/zinc/54/65/18/1069546518.db2.gz XKSWZILLSPTZBL-ROUUACIJSA-N 0 0 489.554 0.325 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 ZINC000508381292 1069546387 /nfs/dbraw/zinc/54/63/87/1069546387.db2.gz XKSWZILLSPTZBL-ZWKOTPCHSA-N 0 0 489.554 0.325 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc3c(c2C(=O)OCC)CCS(=O)(=O)C3)C1=O ZINC000508800722 1068141883 /nfs/dbraw/zinc/14/18/83/1068141883.db2.gz FROKNJFZNSDVCF-UHFFFAOYSA-N 0 0 469.497 0.311 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)C1=O ZINC000508968309 1069534168 /nfs/dbraw/zinc/53/41/68/1069534168.db2.gz KBTDMOVACBVAIP-GOSISDBHSA-N 0 0 453.499 0.085 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)C1=O ZINC000508968311 1069533972 /nfs/dbraw/zinc/53/39/72/1069533972.db2.gz KBTDMOVACBVAIP-SFHVURJKSA-N 0 0 453.499 0.085 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)Cn3c4ccc(S(=O)(=O)N(C)C)cc4oc3=O)CC2)o1 ZINC000509053619 1069538387 /nfs/dbraw/zinc/53/83/87/1069538387.db2.gz NEHDLIFMXYDKHI-UHFFFAOYSA-N 0 0 474.499 0.362 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000509072773 1069540808 /nfs/dbraw/zinc/54/08/08/1069540808.db2.gz WPTIRYKJMUWSQH-UHFFFAOYSA-N 0 0 498.477 0.816 20 30 JCEDRN N#Cc1cc(C#N)c(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1N ZINC000509238277 1069570432 /nfs/dbraw/zinc/57/04/32/1069570432.db2.gz SZMUSMMSPMWFFR-UHFFFAOYSA-N 0 0 472.552 0.837 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000509279443 1069580814 /nfs/dbraw/zinc/58/08/14/1069580814.db2.gz NFBJFSOEHYTHEX-UHFFFAOYSA-N 0 0 473.511 0.125 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000509579332 1069228476 /nfs/dbraw/zinc/22/84/76/1069228476.db2.gz OZWKAVXGPUNLPS-UHFFFAOYSA-N 0 0 472.548 0.878 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000509581829 1069230839 /nfs/dbraw/zinc/23/08/39/1069230839.db2.gz ABWAYWKNSSBPFX-UHFFFAOYSA-N 0 0 491.595 0.136 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000509584597 1069229748 /nfs/dbraw/zinc/22/97/48/1069229748.db2.gz RVLGKKRUZRDGDJ-UHFFFAOYSA-N 0 0 483.593 0.872 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000509733076 1068080916 /nfs/dbraw/zinc/08/09/16/1068080916.db2.gz ZEJNPHNZXAVBQO-CMPLNLGQSA-N 0 0 453.464 0.795 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000509733078 1068080718 /nfs/dbraw/zinc/08/07/18/1068080718.db2.gz ZEJNPHNZXAVBQO-JQWIXIFHSA-N 0 0 453.464 0.795 20 30 JCEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000509733080 1068080932 /nfs/dbraw/zinc/08/09/32/1068080932.db2.gz ZEJNPHNZXAVBQO-PWSUYJOCSA-N 0 0 453.464 0.795 20 30 JCEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000509733081 1068080377 /nfs/dbraw/zinc/08/03/77/1068080377.db2.gz ZEJNPHNZXAVBQO-ZYHUDNBSSA-N 0 0 453.464 0.795 20 30 JCEDRN C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000509791615 1068165914 /nfs/dbraw/zinc/16/59/14/1068165914.db2.gz CADUQTFCDLYNBU-GFCCVEGCSA-N 0 0 476.520 0.891 20 30 JCEDRN C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000509791619 1068165951 /nfs/dbraw/zinc/16/59/51/1068165951.db2.gz CADUQTFCDLYNBU-LBPRGKRZSA-N 0 0 476.520 0.891 20 30 JCEDRN C=CCN(C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000509794013 1068166481 /nfs/dbraw/zinc/16/64/81/1068166481.db2.gz OXEFNGGXAPQHHG-HNNXBMFYSA-N 0 0 460.574 0.964 20 30 JCEDRN C=CCN(C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000509794017 1068166596 /nfs/dbraw/zinc/16/65/96/1068166596.db2.gz OXEFNGGXAPQHHG-OAHLLOKOSA-N 0 0 460.574 0.964 20 30 JCEDRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000509833965 1068175791 /nfs/dbraw/zinc/17/57/91/1068175791.db2.gz HSTFVUHIIGSPCI-GOSISDBHSA-N 0 0 468.601 0.985 20 30 JCEDRN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000509833972 1068175226 /nfs/dbraw/zinc/17/52/26/1068175226.db2.gz HSTFVUHIIGSPCI-SFHVURJKSA-N 0 0 468.601 0.985 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000509932952 1068267396 /nfs/dbraw/zinc/26/73/96/1068267396.db2.gz YHSSOYMYTXRPIO-UHFFFAOYSA-N 0 0 454.556 0.608 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000509991105 1068533914 /nfs/dbraw/zinc/53/39/14/1068533914.db2.gz POLZWQMDIWQMAN-UHFFFAOYSA-N 0 0 463.560 0.792 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 ZINC000509992138 1068534143 /nfs/dbraw/zinc/53/41/43/1068534143.db2.gz XWNGIJFLFGVDHZ-UHFFFAOYSA-N 0 0 451.549 0.694 20 30 JCEDRN O=C(CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000509995257 1068534580 /nfs/dbraw/zinc/53/45/80/1068534580.db2.gz GVPFFYYVIIOFKE-FQEVSTJZSA-N 0 0 453.520 0.835 20 30 JCEDRN O=C(CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000509995258 1068534666 /nfs/dbraw/zinc/53/46/66/1068534666.db2.gz GVPFFYYVIIOFKE-HXUWFJFHSA-N 0 0 453.520 0.835 20 30 JCEDRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1C(N)=O ZINC000510088801 1067661304 /nfs/dbraw/zinc/66/13/04/1067661304.db2.gz UUTZULSMWNCAJI-UHFFFAOYSA-N 0 0 455.496 0.437 20 30 JCEDRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1C(N)=O ZINC000510126366 1067681699 /nfs/dbraw/zinc/68/16/99/1067681699.db2.gz CDFGOOJJOUROOG-UHFFFAOYSA-N 0 0 455.496 0.437 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(C(=O)COC)CC3)n2c2ccccc2c1=O ZINC000510128154 1067682897 /nfs/dbraw/zinc/68/28/97/1067682897.db2.gz CRWFZEMIDPUSMS-UHFFFAOYSA-N 0 0 456.528 0.640 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000510222960 1067709755 /nfs/dbraw/zinc/70/97/55/1067709755.db2.gz NDDSEXAPOMZIQY-KBPBESRZSA-N 0 0 464.500 0.400 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000510222961 1067710109 /nfs/dbraw/zinc/71/01/09/1067710109.db2.gz NDDSEXAPOMZIQY-OKILXGFUSA-N 0 0 464.500 0.400 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O ZINC000510222962 1067709580 /nfs/dbraw/zinc/70/95/80/1067709580.db2.gz NDDSEXAPOMZIQY-ZIAGYGMSSA-N 0 0 464.500 0.400 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)C1=O ZINC000510223312 1067710633 /nfs/dbraw/zinc/71/06/33/1067710633.db2.gz NSCXIRQRYPQLSJ-UHFFFAOYSA-N 0 0 450.473 0.850 20 30 JCEDRN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000510224650 1067710122 /nfs/dbraw/zinc/71/01/22/1067710122.db2.gz ABVHIECXGKKDFW-NRFANRHFSA-N 0 0 482.562 0.991 20 30 JCEDRN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000510224670 1067710282 /nfs/dbraw/zinc/71/02/82/1067710282.db2.gz ABVHIECXGKKDFW-OAQYLSRUSA-N 0 0 482.562 0.991 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O ZINC000510224921 1067710166 /nfs/dbraw/zinc/71/01/66/1067710166.db2.gz VPDVKRMRLPGVJG-UHFFFAOYSA-N 0 0 470.507 0.650 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)C1=O ZINC000510228651 1067711415 /nfs/dbraw/zinc/71/14/15/1067711415.db2.gz NJOCLJPZONLMCK-UHFFFAOYSA-N 0 0 452.489 0.641 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000510235702 1067712947 /nfs/dbraw/zinc/71/29/47/1067712947.db2.gz KQADMJDMVKUACC-UHFFFAOYSA-N 0 0 470.891 0.276 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000510235939 1067713531 /nfs/dbraw/zinc/71/35/31/1067713531.db2.gz LFTLVHASNMQINV-UHFFFAOYSA-N 0 0 454.892 0.150 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C1=O ZINC000510237110 1067713356 /nfs/dbraw/zinc/71/33/56/1067713356.db2.gz OJFSWNPDQKUGIU-UHFFFAOYSA-N 0 0 464.500 0.785 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000510239335 1067713742 /nfs/dbraw/zinc/71/37/42/1067713742.db2.gz UENVCFKBQGJKTL-UHFFFAOYSA-N 0 0 464.500 0.785 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000510251863 1067717768 /nfs/dbraw/zinc/71/77/68/1067717768.db2.gz IWRUUNOROPCBKA-GOSISDBHSA-N 0 0 456.524 0.821 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000510251866 1067717672 /nfs/dbraw/zinc/71/76/72/1067717672.db2.gz IWRUUNOROPCBKA-SFHVURJKSA-N 0 0 456.524 0.821 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O ZINC000510259754 1067719143 /nfs/dbraw/zinc/71/91/43/1067719143.db2.gz ZJGINCQHPFLPCU-UHFFFAOYSA-N 0 0 470.891 0.276 20 30 JCEDRN N#Cc1ccccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000510513950 1067782764 /nfs/dbraw/zinc/78/27/64/1067782764.db2.gz KMFQLBMSNGQQOV-UHFFFAOYSA-N 0 0 483.598 0.937 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000510519047 1067783062 /nfs/dbraw/zinc/78/30/62/1067783062.db2.gz GSPKMCJOKUZUSM-UHFFFAOYSA-N 0 0 481.578 0.849 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1C ZINC000510782843 1067789474 /nfs/dbraw/zinc/78/94/74/1067789474.db2.gz PFGYDAOPZCRSLC-UHFFFAOYSA-N 0 0 473.515 0.865 20 30 JCEDRN CS(=O)(=O)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000510869890 1067793091 /nfs/dbraw/zinc/79/30/91/1067793091.db2.gz ZBRDWROBXONIRB-UHFFFAOYSA-N 0 0 462.553 0.857 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000510932913 1067796533 /nfs/dbraw/zinc/79/65/33/1067796533.db2.gz HAIHHXUOICCRJW-UHFFFAOYSA-N 0 0 487.607 0.911 20 30 JCEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000510992591 1067799379 /nfs/dbraw/zinc/79/93/79/1067799379.db2.gz UFIPXKXEUXHYBW-GOSISDBHSA-N 0 0 455.496 0.651 20 30 JCEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000510992592 1067799314 /nfs/dbraw/zinc/79/93/14/1067799314.db2.gz UFIPXKXEUXHYBW-SFHVURJKSA-N 0 0 455.496 0.651 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N ZINC000511062863 1067807968 /nfs/dbraw/zinc/80/79/68/1067807968.db2.gz LXMGKQJCJZLVKZ-UHFFFAOYSA-N 0 0 462.535 0.550 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000511063205 1067808215 /nfs/dbraw/zinc/80/82/15/1067808215.db2.gz MJXSYIKTBSNPIT-GOSISDBHSA-N 0 0 497.573 0.596 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000511063206 1067808252 /nfs/dbraw/zinc/80/82/52/1067808252.db2.gz MJXSYIKTBSNPIT-SFHVURJKSA-N 0 0 497.573 0.596 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N ZINC000511064012 1067808006 /nfs/dbraw/zinc/80/80/06/1067808006.db2.gz OKERCPQUPZYIQA-UHFFFAOYSA-N 0 0 491.598 0.784 20 30 JCEDRN N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000511066444 1067808769 /nfs/dbraw/zinc/80/87/69/1067808769.db2.gz WIXDUHCKCXXZNO-MSOLQXFVSA-N 0 0 497.573 0.658 20 30 JCEDRN N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000511066445 1067808633 /nfs/dbraw/zinc/80/86/33/1067808633.db2.gz WIXDUHCKCXXZNO-QZTJIDSGSA-N 0 0 497.573 0.658 20 30 JCEDRN N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000511066446 1067808624 /nfs/dbraw/zinc/80/86/24/1067808624.db2.gz WIXDUHCKCXXZNO-ROUUACIJSA-N 0 0 497.573 0.658 20 30 JCEDRN N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000511066447 1067808591 /nfs/dbraw/zinc/80/85/91/1067808591.db2.gz WIXDUHCKCXXZNO-ZWKOTPCHSA-N 0 0 497.573 0.658 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCN1CCOCC1 ZINC000511073178 1067809149 /nfs/dbraw/zinc/80/91/49/1067809149.db2.gz GEXROOXRSIUTEK-UHFFFAOYSA-N 0 0 484.578 0.390 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCN1CCOCC1 ZINC000511076286 1067809132 /nfs/dbraw/zinc/80/91/32/1067809132.db2.gz PAKNLXNDBCDJGW-UHFFFAOYSA-N 0 0 455.536 0.699 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCN1CCOCC1 ZINC000511079638 1067809086 /nfs/dbraw/zinc/80/90/86/1067809086.db2.gz ZHDLMNOSNMEZIG-UHFFFAOYSA-N 0 0 484.578 0.246 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000511082191 1067809542 /nfs/dbraw/zinc/80/95/42/1067809542.db2.gz METFWKGTHQNGNY-IBGZPJMESA-N 0 0 469.563 0.896 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 ZINC000511082192 1067809367 /nfs/dbraw/zinc/80/93/67/1067809367.db2.gz METFWKGTHQNGNY-LJQANCHMSA-N 0 0 469.563 0.896 20 30 JCEDRN Cn1c(=O)c(=Cc2cc(Cl)cc(Cl)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000511082194 1067809629 /nfs/dbraw/zinc/80/96/29/1067809629.db2.gz MFUZCJDGYNAYHI-UHFFFAOYSA-N 0 0 467.378 0.705 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000511082488 1067810126 /nfs/dbraw/zinc/81/01/26/1067810126.db2.gz NOHQCGJSTZEJFU-AWEZNQCLSA-N 0 0 476.536 0.420 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000511082489 1067809387 /nfs/dbraw/zinc/80/93/87/1067809387.db2.gz NOHQCGJSTZEJFU-CQSZACIVSA-N 0 0 476.536 0.420 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000511083089 1067809399 /nfs/dbraw/zinc/80/93/99/1067809399.db2.gz QLGLFPQGPOQCOB-CYBMUJFWSA-N 0 0 464.525 0.324 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000511083090 1067809554 /nfs/dbraw/zinc/80/95/54/1067809554.db2.gz QLGLFPQGPOQCOB-ZDUSSCGKSA-N 0 0 464.525 0.324 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000511083562 1067810089 /nfs/dbraw/zinc/81/00/89/1067810089.db2.gz UGBWYIMNAIRSJM-INIZCTEOSA-N 0 0 453.520 0.943 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000511083563 1067810051 /nfs/dbraw/zinc/81/00/51/1067810051.db2.gz UGBWYIMNAIRSJM-MRXNPFEDSA-N 0 0 453.520 0.943 20 30 JCEDRN N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 ZINC000511084971 1067810109 /nfs/dbraw/zinc/81/01/09/1067810109.db2.gz GHVJRNJFZQAPLM-INIZCTEOSA-N 0 0 453.520 0.814 20 30 JCEDRN N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 ZINC000511084972 1067810115 /nfs/dbraw/zinc/81/01/15/1067810115.db2.gz GHVJRNJFZQAPLM-MRXNPFEDSA-N 0 0 453.520 0.814 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000511085280 1067809886 /nfs/dbraw/zinc/80/98/86/1067809886.db2.gz IRAIZDIFZHNBDU-UHFFFAOYSA-N 0 0 455.536 0.843 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000511096398 1067811411 /nfs/dbraw/zinc/81/14/11/1067811411.db2.gz RQSVFGRYKPOIEZ-UHFFFAOYSA-N 0 0 491.595 0.631 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCN1CCOCC1 ZINC000511096684 1067811347 /nfs/dbraw/zinc/81/13/47/1067811347.db2.gz SRBHHBBFVAOKDW-UHFFFAOYSA-N 0 0 496.589 0.139 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCN1CCOCC1 ZINC000511097101 1067811777 /nfs/dbraw/zinc/81/17/77/1067811777.db2.gz VEZGPNLPPVAMDK-UHFFFAOYSA-N 0 0 484.578 0.042 20 30 JCEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000511110447 1067814454 /nfs/dbraw/zinc/81/44/54/1067814454.db2.gz UFJFRSTUIOTIKQ-UHFFFAOYSA-N 0 0 451.484 0.778 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000511139450 1067817276 /nfs/dbraw/zinc/81/72/76/1067817276.db2.gz BOGNRBAHHUDGKG-UHFFFAOYSA-N 0 0 473.551 0.373 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000511145664 1067817822 /nfs/dbraw/zinc/81/78/22/1067817822.db2.gz VSASPMQYSCKIMM-UHFFFAOYSA-N 0 0 498.605 0.732 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000511147033 1067818572 /nfs/dbraw/zinc/81/85/72/1067818572.db2.gz ZSFMDDFYAKRJER-UHFFFAOYSA-N 0 0 459.524 0.331 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000511265724 1067860875 /nfs/dbraw/zinc/86/08/75/1067860875.db2.gz MDESCXPDLDRNPF-UHFFFAOYSA-N 0 0 484.538 0.261 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1OCC(F)(F)F ZINC000511293789 1067864609 /nfs/dbraw/zinc/86/46/09/1067864609.db2.gz OKNMYZAPNCXJGO-UHFFFAOYSA-N 0 0 453.421 0.861 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000511305012 1067865443 /nfs/dbraw/zinc/86/54/43/1067865443.db2.gz DVDXXVYPABRPSZ-GOSISDBHSA-N 0 0 464.544 0.281 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000511305020 1067865554 /nfs/dbraw/zinc/86/55/54/1067865554.db2.gz DVDXXVYPABRPSZ-SFHVURJKSA-N 0 0 464.544 0.281 20 30 JCEDRN N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)cc1 ZINC000511312138 1067866352 /nfs/dbraw/zinc/86/63/52/1067866352.db2.gz DMVNWNVXYAIXMZ-UHFFFAOYSA-N 0 0 461.526 0.562 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN(CC)S(C)(=O)=O)cc1 ZINC000511347318 1067887607 /nfs/dbraw/zinc/88/76/07/1067887607.db2.gz WEQGGFNYGWCZHI-UHFFFAOYSA-N 0 0 460.578 0.219 20 30 JCEDRN Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N(C)C ZINC000511366532 1067894571 /nfs/dbraw/zinc/89/45/71/1067894571.db2.gz ZUMRLMNRGNOEOY-UHFFFAOYSA-N 0 0 456.528 0.799 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)nc1 ZINC000511402121 1067901317 /nfs/dbraw/zinc/90/13/17/1067901317.db2.gz QHQURVFEUQUPMG-UHFFFAOYSA-N 0 0 462.510 0.642 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCCc1[nH]nc(N)c1C#N ZINC000511418362 1067902464 /nfs/dbraw/zinc/90/24/64/1067902464.db2.gz ODSXHZOPDMENCF-UHFFFAOYSA-N 0 0 473.559 0.532 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000511436797 1067904565 /nfs/dbraw/zinc/90/45/65/1067904565.db2.gz GXMGNMQPEBYNCA-UHFFFAOYSA-N 0 0 461.500 0.833 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000511504739 1067915174 /nfs/dbraw/zinc/91/51/74/1067915174.db2.gz IRBCWDSNCWGWHA-UHFFFAOYSA-N 0 0 485.570 0.557 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000511514752 1067930914 /nfs/dbraw/zinc/93/09/14/1067930914.db2.gz MVTKSDUKTQCEJL-UHFFFAOYSA-N 0 0 464.482 0.072 20 30 JCEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000511533658 1067956420 /nfs/dbraw/zinc/95/64/20/1067956420.db2.gz JDFKRBGCZDWZAJ-UHFFFAOYSA-N 0 0 455.496 0.276 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 ZINC000511534551 1067957298 /nfs/dbraw/zinc/95/72/98/1067957298.db2.gz UZTAQYQMQUAAFM-UHFFFAOYSA-N 0 0 484.538 0.261 20 30 JCEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000511577792 1067971912 /nfs/dbraw/zinc/97/19/12/1067971912.db2.gz SFZNFRPGXSULMB-UHFFFAOYSA-N 0 0 455.496 0.276 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000511579756 1067972364 /nfs/dbraw/zinc/97/23/64/1067972364.db2.gz JFJMAURDLUVMFU-UHFFFAOYSA-N 0 0 464.438 0.958 20 30 JCEDRN CN(CCS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000511666311 1068014401 /nfs/dbraw/zinc/01/44/01/1068014401.db2.gz NROGZVJXWAPODQ-UHFFFAOYSA-N 0 0 467.548 0.865 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N ZINC000511668013 1068014728 /nfs/dbraw/zinc/01/47/28/1068014728.db2.gz SPVGNUNRRLJSCU-UHFFFAOYSA-N 0 0 451.533 0.883 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c(C)c1 ZINC000511671796 1068014316 /nfs/dbraw/zinc/01/43/16/1068014316.db2.gz BGVKJKMDMVDRAV-UHFFFAOYSA-N 0 0 495.630 0.924 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000511676764 1068014787 /nfs/dbraw/zinc/01/47/87/1068014787.db2.gz ZTJLBOFUTFMQTD-UHFFFAOYSA-N 0 0 495.630 0.869 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000511708492 1068014670 /nfs/dbraw/zinc/01/46/70/1068014670.db2.gz UIXPDVBFUVTKFX-UHFFFAOYSA-N 0 0 483.575 0.970 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1C ZINC000511727773 1068015756 /nfs/dbraw/zinc/01/57/56/1068015756.db2.gz PIVGIKAMMVNDRP-UHFFFAOYSA-N 0 0 470.559 0.786 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1C ZINC000511728614 1068015290 /nfs/dbraw/zinc/01/52/90/1068015290.db2.gz VPADLMKMVUEARW-UHFFFAOYSA-N 0 0 456.532 0.395 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1C ZINC000511756475 1068016634 /nfs/dbraw/zinc/01/66/34/1068016634.db2.gz MXPNRQJNWWYNQD-UHFFFAOYSA-N 0 0 488.549 0.925 20 30 JCEDRN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000511774676 1068018212 /nfs/dbraw/zinc/01/82/12/1068018212.db2.gz YUZUCFDFCJCFEX-UHFFFAOYSA-N 0 0 495.565 0.782 20 30 JCEDRN CS(=O)(=O)c1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000511775181 1068018022 /nfs/dbraw/zinc/01/80/22/1068018022.db2.gz XUXYWZIGSCGQFV-UHFFFAOYSA-N 0 0 463.537 0.874 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)c1 ZINC000511916382 1068042911 /nfs/dbraw/zinc/04/29/11/1068042911.db2.gz BICURIPASFXKFF-UHFFFAOYSA-N 0 0 468.538 0.939 20 30 JCEDRN N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000511991132 1068061415 /nfs/dbraw/zinc/06/14/15/1068061415.db2.gz XIOWSTANIGHSAO-UHFFFAOYSA-N 0 0 462.509 0.863 20 30 JCEDRN C=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000512067515 1068074777 /nfs/dbraw/zinc/07/47/77/1068074777.db2.gz LSBWENQQKSCHLW-GOSISDBHSA-N 0 0 455.602 0.503 20 30 JCEDRN C=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000512067532 1068074432 /nfs/dbraw/zinc/07/44/32/1068074432.db2.gz LSBWENQQKSCHLW-SFHVURJKSA-N 0 0 455.602 0.503 20 30 JCEDRN C=CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000512082304 1068075082 /nfs/dbraw/zinc/07/50/82/1068075082.db2.gz HZMKDVAZHILVEM-INIZCTEOSA-N 0 0 497.595 0.971 20 30 JCEDRN C=CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000512082309 1068075306 /nfs/dbraw/zinc/07/53/06/1068075306.db2.gz HZMKDVAZHILVEM-MRXNPFEDSA-N 0 0 497.595 0.971 20 30 JCEDRN C=CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000512084723 1068075265 /nfs/dbraw/zinc/07/52/65/1068075265.db2.gz QTZHQJZNDBYXML-HNNXBMFYSA-N 0 0 458.558 0.718 20 30 JCEDRN C=CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000512084724 1068075111 /nfs/dbraw/zinc/07/51/11/1068075111.db2.gz QTZHQJZNDBYXML-OAHLLOKOSA-N 0 0 458.558 0.718 20 30 JCEDRN C=CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000512098729 1068075542 /nfs/dbraw/zinc/07/55/42/1068075542.db2.gz KRPKNKQXHYAISP-IBGZPJMESA-N 0 0 455.602 0.649 20 30 JCEDRN C=CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000512098730 1068075627 /nfs/dbraw/zinc/07/56/27/1068075627.db2.gz KRPKNKQXHYAISP-LJQANCHMSA-N 0 0 455.602 0.649 20 30 JCEDRN C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000512101161 1068075756 /nfs/dbraw/zinc/07/57/56/1068075756.db2.gz XBGBCWGTXJLGQS-GOSISDBHSA-N 0 0 469.585 0.355 20 30 JCEDRN C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000512101162 1068075729 /nfs/dbraw/zinc/07/57/29/1068075729.db2.gz XBGBCWGTXJLGQS-SFHVURJKSA-N 0 0 469.585 0.355 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1C ZINC000512268896 1068088608 /nfs/dbraw/zinc/08/86/08/1068088608.db2.gz GKLVJIXWQGTRCB-UHFFFAOYSA-N 0 0 453.528 0.776 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000512291780 1068090750 /nfs/dbraw/zinc/09/07/50/1068090750.db2.gz CKKAEOFIMCIKDC-KRWDZBQOSA-N 0 0 479.559 0.442 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000512291784 1068090908 /nfs/dbraw/zinc/09/09/08/1068090908.db2.gz CKKAEOFIMCIKDC-QGZVFWFLSA-N 0 0 479.559 0.442 20 30 JCEDRN CC(C)NC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000512309352 1068092101 /nfs/dbraw/zinc/09/21/01/1068092101.db2.gz LOPBRISAAZXBIK-UHFFFAOYSA-N 0 0 461.588 0.628 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2)cc1 ZINC000512309361 1068092185 /nfs/dbraw/zinc/09/21/85/1068092185.db2.gz LRBFUZULPGMGHJ-UHFFFAOYSA-N 0 0 473.599 0.726 20 30 JCEDRN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000512362425 1068097842 /nfs/dbraw/zinc/09/78/42/1068097842.db2.gz JOQGKHNQXIXXHO-UHFFFAOYSA-N 0 0 495.565 0.782 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 ZINC000512362594 1069579372 /nfs/dbraw/zinc/57/93/72/1069579372.db2.gz SQLIVOVYDQGANJ-UHFFFAOYSA-N 0 0 454.487 0.620 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000512368901 1068098231 /nfs/dbraw/zinc/09/82/31/1068098231.db2.gz RHGJNQBTAQHLHF-UHFFFAOYSA-N 0 0 463.494 0.429 20 30 JCEDRN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000512376356 1068098596 /nfs/dbraw/zinc/09/85/96/1068098596.db2.gz HEUBPJVKBDEUBQ-UHFFFAOYSA-N 0 0 454.555 0.722 20 30 JCEDRN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000512393567 1068099803 /nfs/dbraw/zinc/09/98/03/1068099803.db2.gz SSPKOOXQFSKZGM-UHFFFAOYSA-N 0 0 454.555 0.722 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000512420162 1068104229 /nfs/dbraw/zinc/10/42/29/1068104229.db2.gz HVKIUNDDYPVBTB-UHFFFAOYSA-N 0 0 485.478 0.725 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)C1=O ZINC000512425295 1068104828 /nfs/dbraw/zinc/10/48/28/1068104828.db2.gz YRSUETFENZIRBW-UHFFFAOYSA-N 0 0 456.499 0.666 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000512434441 1068106833 /nfs/dbraw/zinc/10/68/33/1068106833.db2.gz XLSIFRRAAGWKHT-KDURUIRLSA-N 0 0 458.540 0.956 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000512434442 1068107114 /nfs/dbraw/zinc/10/71/14/1068107114.db2.gz XLSIFRRAAGWKHT-OALUTQOASA-N 0 0 458.540 0.956 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1=O ZINC000512458625 1068112099 /nfs/dbraw/zinc/11/20/99/1068112099.db2.gz XIKCFKSXCZATMI-UHFFFAOYSA-N 0 0 480.499 0.022 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)C1=O ZINC000512500640 1068126352 /nfs/dbraw/zinc/12/63/52/1068126352.db2.gz YQRUDRGFQDRVFU-UHFFFAOYSA-N 0 0 465.532 0.698 20 30 JCEDRN C=CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000512516584 1068127014 /nfs/dbraw/zinc/12/70/14/1068127014.db2.gz IKZTUMWMOUHRIT-GOSISDBHSA-N 0 0 456.586 0.842 20 30 JCEDRN C=CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000512516585 1068127904 /nfs/dbraw/zinc/12/79/04/1068127904.db2.gz IKZTUMWMOUHRIT-SFHVURJKSA-N 0 0 456.586 0.842 20 30 JCEDRN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000512518944 1068127671 /nfs/dbraw/zinc/12/76/71/1068127671.db2.gz DKQOSNZKVGOWKI-UHFFFAOYSA-N 0 0 490.563 0.572 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC(=O)c2cccc(Br)c2)C1=O ZINC000512530420 1068128588 /nfs/dbraw/zinc/12/85/88/1068128588.db2.gz JALPCVGFXMKUFZ-UHFFFAOYSA-N 0 0 451.277 0.662 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000512550740 1068141142 /nfs/dbraw/zinc/14/11/42/1068141142.db2.gz LSMZGEJQNHQCHJ-UHFFFAOYSA-N 0 0 455.540 0.887 20 30 JCEDRN C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000512563208 1068143304 /nfs/dbraw/zinc/14/33/04/1068143304.db2.gz CRAHHXLJRCKLEQ-INIZCTEOSA-N 0 0 458.558 0.531 20 30 JCEDRN C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000512563212 1068143484 /nfs/dbraw/zinc/14/34/84/1068143484.db2.gz CRAHHXLJRCKLEQ-MRXNPFEDSA-N 0 0 458.558 0.531 20 30 JCEDRN C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000512564794 1068143505 /nfs/dbraw/zinc/14/35/05/1068143505.db2.gz MMNSUXZDJGXMLZ-GOSISDBHSA-N 0 0 483.612 0.501 20 30 JCEDRN C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000512564795 1068143526 /nfs/dbraw/zinc/14/35/26/1068143526.db2.gz MMNSUXZDJGXMLZ-SFHVURJKSA-N 0 0 483.612 0.501 20 30 JCEDRN C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000512565907 1068143464 /nfs/dbraw/zinc/14/34/64/1068143464.db2.gz TXSMVYBGRPFHJN-IBGZPJMESA-N 0 0 497.639 0.810 20 30 JCEDRN C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000512565910 1068144133 /nfs/dbraw/zinc/14/41/33/1068144133.db2.gz TXSMVYBGRPFHJN-LJQANCHMSA-N 0 0 497.639 0.810 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000512572258 1068147197 /nfs/dbraw/zinc/14/71/97/1068147197.db2.gz GMXRHTYDDNVBLB-UHFFFAOYSA-N 0 0 452.577 0.832 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000512573175 1068147625 /nfs/dbraw/zinc/14/76/25/1068147625.db2.gz KRJCYEJMPGVKMW-UHFFFAOYSA-N 0 0 452.577 0.786 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)C(C)C)CC1 ZINC000512575292 1068145761 /nfs/dbraw/zinc/14/57/61/1068145761.db2.gz XVHGCPWJNCKQMM-FQEVSTJZSA-N 0 0 452.577 0.445 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)NCC(N)=O)cc3)CC2)cc1 ZINC000512584576 1068149069 /nfs/dbraw/zinc/14/90/69/1068149069.db2.gz WGORMEVSAKQBIV-UHFFFAOYSA-N 0 0 469.523 0.813 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000512596729 1068150100 /nfs/dbraw/zinc/15/01/00/1068150100.db2.gz FZHCEMBKJWFHDO-UHFFFAOYSA-N 0 0 464.588 0.330 20 30 JCEDRN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000512661921 1068160196 /nfs/dbraw/zinc/16/01/96/1068160196.db2.gz VTBYWYKZSQNEKP-UHFFFAOYSA-N 0 0 490.563 0.572 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)CC1 ZINC000512705454 1068161454 /nfs/dbraw/zinc/16/14/54/1068161454.db2.gz KGJWRKACSFDABY-UHFFFAOYSA-N 0 0 462.616 0.816 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000512706191 1068162170 /nfs/dbraw/zinc/16/21/70/1068162170.db2.gz WNRBKSYLHDZBOQ-INIZCTEOSA-N 0 0 460.531 0.512 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000512706192 1068162000 /nfs/dbraw/zinc/16/20/00/1068162000.db2.gz WNRBKSYLHDZBOQ-MRXNPFEDSA-N 0 0 460.531 0.512 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000512709538 1068161427 /nfs/dbraw/zinc/16/14/27/1068161427.db2.gz AWTNWMOSDJFZJK-IBGZPJMESA-N 0 0 468.645 0.841 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000512709539 1068161343 /nfs/dbraw/zinc/16/13/43/1068161343.db2.gz AWTNWMOSDJFZJK-LJQANCHMSA-N 0 0 468.645 0.841 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000512709931 1068161312 /nfs/dbraw/zinc/16/13/12/1068161312.db2.gz JIZMSSRTJKIQCQ-NRFANRHFSA-N 0 0 476.599 0.879 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000512709932 1068161396 /nfs/dbraw/zinc/16/13/96/1068161396.db2.gz JIZMSSRTJKIQCQ-OAQYLSRUSA-N 0 0 476.599 0.879 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 ZINC000512710319 1068161268 /nfs/dbraw/zinc/16/12/68/1068161268.db2.gz QKQZNXUJBZHISY-UHFFFAOYSA-N 0 0 480.495 0.806 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 ZINC000512710324 1068161389 /nfs/dbraw/zinc/16/13/89/1068161389.db2.gz QNPRQBWXHHZSCQ-UHFFFAOYSA-N 0 0 457.560 0.606 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000512714004 1068162776 /nfs/dbraw/zinc/16/27/76/1068162776.db2.gz KQSDGETXWSQPCZ-NRFANRHFSA-N 0 0 480.587 0.207 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 ZINC000512714036 1068162681 /nfs/dbraw/zinc/16/26/81/1068162681.db2.gz LJMHGBOATOGGFU-INIZCTEOSA-N 0 0 482.559 0.056 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 ZINC000512714037 1068162831 /nfs/dbraw/zinc/16/28/31/1068162831.db2.gz LJMHGBOATOGGFU-MRXNPFEDSA-N 0 0 482.559 0.056 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 ZINC000512714368 1068162770 /nfs/dbraw/zinc/16/27/70/1068162770.db2.gz RDHRBIOMMHTOCM-UHFFFAOYSA-N 0 0 452.577 0.786 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 ZINC000512714480 1068162752 /nfs/dbraw/zinc/16/27/52/1068162752.db2.gz SYGQJTHSEOSGKQ-GOSISDBHSA-N 0 0 485.006 0.320 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 ZINC000512714481 1068162874 /nfs/dbraw/zinc/16/28/74/1068162874.db2.gz SYGQJTHSEOSGKQ-SFHVURJKSA-N 0 0 485.006 0.320 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000512714584 1068162833 /nfs/dbraw/zinc/16/28/33/1068162833.db2.gz VBXFCMIKTFEFIS-GOSISDBHSA-N 0 0 485.006 0.320 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000512714585 1068162843 /nfs/dbraw/zinc/16/28/43/1068162843.db2.gz VBXFCMIKTFEFIS-SFHVURJKSA-N 0 0 485.006 0.320 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 ZINC000512714621 1068162870 /nfs/dbraw/zinc/16/28/70/1068162870.db2.gz VRIPKBIJCYQGHE-UHFFFAOYSA-N 0 0 463.604 0.597 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000512717904 1068162665 /nfs/dbraw/zinc/16/26/65/1068162665.db2.gz FZOZKXGDSBUKIC-UHFFFAOYSA-N 0 0 458.378 0.810 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000512719201 1068162707 /nfs/dbraw/zinc/16/27/07/1068162707.db2.gz ZOORLECNHCLVJZ-CYBMUJFWSA-N 0 0 463.332 0.880 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000512719202 1068162826 /nfs/dbraw/zinc/16/28/26/1068162826.db2.gz ZOORLECNHCLVJZ-ZDUSSCGKSA-N 0 0 463.332 0.880 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000512722447 1068163503 /nfs/dbraw/zinc/16/35/03/1068163503.db2.gz GAAIFSRXSXPUMB-GOSISDBHSA-N 0 0 450.561 0.204 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000512722448 1068163432 /nfs/dbraw/zinc/16/34/32/1068163432.db2.gz GAAIFSRXSXPUMB-SFHVURJKSA-N 0 0 450.561 0.204 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000512722856 1068164058 /nfs/dbraw/zinc/16/40/58/1068164058.db2.gz LCGYYHWHODVOMM-UHFFFAOYSA-N 0 0 480.587 0.353 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000512722928 1068163466 /nfs/dbraw/zinc/16/34/66/1068163466.db2.gz MDYNOMHWSYQVBU-UHFFFAOYSA-N 0 0 473.393 0.564 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000512723016 1068163476 /nfs/dbraw/zinc/16/34/76/1068163476.db2.gz NHNLRKPLZSLOKS-IBGZPJMESA-N 0 0 479.559 0.584 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000512723017 1068164071 /nfs/dbraw/zinc/16/40/71/1068164071.db2.gz NHNLRKPLZSLOKS-LJQANCHMSA-N 0 0 479.559 0.584 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CCC)CC1 ZINC000512723697 1068162809 /nfs/dbraw/zinc/16/28/09/1068162809.db2.gz WWORHZFZQPASLD-UHFFFAOYSA-N 0 0 454.531 0.845 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000512803273 1068170234 /nfs/dbraw/zinc/17/02/34/1068170234.db2.gz UDYCCDODOGQYOX-CYBMUJFWSA-N 0 0 454.277 0.988 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000512803274 1068170246 /nfs/dbraw/zinc/17/02/46/1068170246.db2.gz UDYCCDODOGQYOX-ZDUSSCGKSA-N 0 0 454.277 0.988 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000512885222 1068176904 /nfs/dbraw/zinc/17/69/04/1068176904.db2.gz MMDIBTCJTYZZFG-UHFFFAOYSA-N 0 0 468.513 0.767 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000512885726 1068176888 /nfs/dbraw/zinc/17/68/88/1068176888.db2.gz SYJKJZKNKYXYLV-UHFFFAOYSA-N 0 0 468.513 0.767 20 30 JCEDRN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 ZINC000512976115 1068183918 /nfs/dbraw/zinc/18/39/18/1068183918.db2.gz SPPIHLFIJAFJKD-UHFFFAOYSA-N 0 0 461.526 0.628 20 30 JCEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000512993632 1068185162 /nfs/dbraw/zinc/18/51/62/1068185162.db2.gz QVGZNYSLFBWYID-UHFFFAOYSA-N 0 0 491.504 0.819 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc1 ZINC000513011099 1068189200 /nfs/dbraw/zinc/18/92/00/1068189200.db2.gz MOOSROPNLALGSK-UHFFFAOYSA-N 0 0 469.523 0.813 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cs1 ZINC000513041974 1068190795 /nfs/dbraw/zinc/19/07/95/1068190795.db2.gz OVRBSLZHQSZBIY-UHFFFAOYSA-N 0 0 475.640 0.536 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)OC(F)(F)O3)c1=O ZINC000513043118 1069482047 /nfs/dbraw/zinc/48/20/47/1069482047.db2.gz XLRFBRMYAYCRCQ-UHFFFAOYSA-N 0 0 471.445 0.736 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cc(C)c(OC)c(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000513065780 1068191956 /nfs/dbraw/zinc/19/19/56/1068191956.db2.gz UVCWUGLAZHMUEV-UHFFFAOYSA-N 0 0 499.589 0.850 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1=O ZINC000513245261 1068259557 /nfs/dbraw/zinc/25/95/57/1068259557.db2.gz GNWWTRCNOABXTQ-UHFFFAOYSA-N 0 0 463.288 0.710 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000513246388 1068259569 /nfs/dbraw/zinc/25/95/69/1068259569.db2.gz VYGUQTFZHQGSJY-INIZCTEOSA-N 0 0 462.528 0.489 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000513246389 1068259467 /nfs/dbraw/zinc/25/94/67/1068259467.db2.gz VYGUQTFZHQGSJY-MRXNPFEDSA-N 0 0 462.528 0.489 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000513958258 1068515244 /nfs/dbraw/zinc/51/52/44/1068515244.db2.gz NTZMPAXMGZSNBN-UHFFFAOYSA-N 0 0 475.478 0.732 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000513985666 1068517134 /nfs/dbraw/zinc/51/71/34/1068517134.db2.gz REOBLWQDADHCFG-CABCVRRESA-N 0 0 472.589 0.554 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000513985667 1068517172 /nfs/dbraw/zinc/51/71/72/1068517172.db2.gz REOBLWQDADHCFG-GJZGRUSLSA-N 0 0 472.589 0.554 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000513985668 1068517159 /nfs/dbraw/zinc/51/71/59/1068517159.db2.gz REOBLWQDADHCFG-HUUCEWRRSA-N 0 0 472.589 0.554 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000513985669 1068516813 /nfs/dbraw/zinc/51/68/13/1068516813.db2.gz REOBLWQDADHCFG-LSDHHAIUSA-N 0 0 472.589 0.554 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC000514003351 1068517001 /nfs/dbraw/zinc/51/70/01/1068517001.db2.gz LQUKLQBGPDAPEM-NRFANRHFSA-N 0 0 481.578 0.954 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC000514003352 1068516952 /nfs/dbraw/zinc/51/69/52/1068516952.db2.gz LQUKLQBGPDAPEM-OAQYLSRUSA-N 0 0 481.578 0.954 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3cscn3)CC2)CC1 ZINC000514007144 1068517778 /nfs/dbraw/zinc/51/77/78/1068517778.db2.gz AUSFFCXVWAATSQ-UHFFFAOYSA-N 0 0 474.612 0.665 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 ZINC000514128972 1068519526 /nfs/dbraw/zinc/51/95/26/1068519526.db2.gz QKZDQEPVWJDVJD-UHFFFAOYSA-N 0 0 497.581 0.177 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000514145835 1068519932 /nfs/dbraw/zinc/51/99/32/1068519932.db2.gz YPEJMAHAPVYQJJ-KBPBESRZSA-N 0 0 462.981 0.872 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000514145836 1068519972 /nfs/dbraw/zinc/51/99/72/1068519972.db2.gz YPEJMAHAPVYQJJ-OKILXGFUSA-N 0 0 462.981 0.872 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000514145837 1068519512 /nfs/dbraw/zinc/51/95/12/1068519512.db2.gz YPEJMAHAPVYQJJ-ZIAGYGMSSA-N 0 0 462.981 0.872 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 ZINC000514303763 1068522615 /nfs/dbraw/zinc/52/26/15/1068522615.db2.gz ILNJIHMWFOJACG-UHFFFAOYSA-N 0 0 484.506 0.648 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 ZINC000514305579 1068522654 /nfs/dbraw/zinc/52/26/54/1068522654.db2.gz AALVASRETAFTPJ-UHFFFAOYSA-N 0 0 479.537 0.385 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000514305950 1068522728 /nfs/dbraw/zinc/52/27/28/1068522728.db2.gz GAKGAQBNQQSHTR-IBGZPJMESA-N 0 0 482.562 0.409 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000514305951 1068522756 /nfs/dbraw/zinc/52/27/56/1068522756.db2.gz GAKGAQBNQQSHTR-LJQANCHMSA-N 0 0 482.562 0.409 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1 ZINC000514306148 1068522500 /nfs/dbraw/zinc/52/25/00/1068522500.db2.gz HQZRXYYAVBXRGY-UHFFFAOYSA-N 0 0 478.549 0.990 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 ZINC000514306186 1068522743 /nfs/dbraw/zinc/52/27/43/1068522743.db2.gz IXTGQOROFJWNFB-UHFFFAOYSA-N 0 0 498.605 0.304 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1 ZINC000514306564 1068522638 /nfs/dbraw/zinc/52/26/38/1068522638.db2.gz LGLHSOYXKMQWFY-UHFFFAOYSA-N 0 0 461.547 0.245 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514307086 1068522627 /nfs/dbraw/zinc/52/26/27/1068522627.db2.gz RIMPCLDUHUCHEV-UHFFFAOYSA-N 0 0 484.622 0.596 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000514307502 1068522768 /nfs/dbraw/zinc/52/27/68/1068522768.db2.gz XDWLOSYNWZIWDC-UHFFFAOYSA-N 0 0 455.584 0.399 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n(C)c1=O ZINC000514322271 1068531372 /nfs/dbraw/zinc/53/13/72/1068531372.db2.gz DARSFBIQPLLFFN-UHFFFAOYSA-N 0 0 466.420 0.615 20 30 JCEDRN Cn1c(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(C#N)c(=O)n(C)c1=O ZINC000514322324 1068531571 /nfs/dbraw/zinc/53/15/71/1068531571.db2.gz PHUCWVRKUZREBH-UHFFFAOYSA-N 0 0 458.327 0.773 20 30 JCEDRN Cn1c(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000514322599 1068531490 /nfs/dbraw/zinc/53/14/90/1068531490.db2.gz ZDGDBQROBLNSRG-UHFFFAOYSA-N 0 0 468.333 0.229 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2C2CC2)CC1 ZINC000514326347 1068532035 /nfs/dbraw/zinc/53/20/35/1068532035.db2.gz DVQLLVNYQVTPHE-UHFFFAOYSA-N 0 0 466.563 0.683 20 30 JCEDRN CS(=O)(=O)NCC[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000514326820 1068533492 /nfs/dbraw/zinc/53/34/92/1068533492.db2.gz JYGZVXYKPXTZIN-IBGZPJMESA-N 0 0 497.643 0.185 20 30 JCEDRN CS(=O)(=O)NCC[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000514326821 1068533593 /nfs/dbraw/zinc/53/35/93/1068533593.db2.gz JYGZVXYKPXTZIN-LJQANCHMSA-N 0 0 497.643 0.185 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C1CC1 ZINC000514327260 1068532707 /nfs/dbraw/zinc/53/27/07/1068532707.db2.gz HDEZBBALRLIULL-UHFFFAOYSA-N 0 0 490.532 0.798 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc(OC)c1OC ZINC000514327400 1068566271 /nfs/dbraw/zinc/56/62/71/1068566271.db2.gz LEYAJRPAUUCJAK-UHFFFAOYSA-N 0 0 471.535 0.632 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1C1CC1 ZINC000514327820 1068564714 /nfs/dbraw/zinc/56/47/14/1068564714.db2.gz SIJXWSIANDZYRI-UHFFFAOYSA-N 0 0 459.911 0.989 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000514328086 1068566910 /nfs/dbraw/zinc/56/69/10/1068566910.db2.gz APVAEYUFGBXQRR-UHFFFAOYSA-N 0 0 467.016 0.986 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000514328542 1068567841 /nfs/dbraw/zinc/56/78/41/1068567841.db2.gz AQXOULIRNSODNN-UHFFFAOYSA-N 0 0 465.000 0.762 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000514328623 1068567823 /nfs/dbraw/zinc/56/78/23/1068567823.db2.gz JBIIJYQQKGIZLP-UHFFFAOYSA-N 0 0 498.649 0.985 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000514328625 1068568055 /nfs/dbraw/zinc/56/80/55/1068568055.db2.gz JMUVTFBEQMEXCP-KRWDZBQOSA-N 0 0 473.624 0.521 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000514328627 1068567853 /nfs/dbraw/zinc/56/78/53/1068567853.db2.gz JMUVTFBEQMEXCP-QGZVFWFLSA-N 0 0 473.624 0.521 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1F ZINC000514328859 1068567466 /nfs/dbraw/zinc/56/74/66/1068567466.db2.gz LOGKZJUWJKJZJZ-UHFFFAOYSA-N 0 0 486.569 0.515 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000514328924 1068567951 /nfs/dbraw/zinc/56/79/51/1068567951.db2.gz RZPFJILWMLARBZ-INIZCTEOSA-N 0 0 483.546 0.674 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000514328925 1068567928 /nfs/dbraw/zinc/56/79/28/1068567928.db2.gz RZPFJILWMLARBZ-MRXNPFEDSA-N 0 0 483.546 0.674 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000514328943 1068567827 /nfs/dbraw/zinc/56/78/27/1068567827.db2.gz FELLBRUYGXYVJM-CALCHBBNSA-N 0 0 486.616 0.263 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000514328947 1068567883 /nfs/dbraw/zinc/56/78/83/1068567883.db2.gz FELLBRUYGXYVJM-IAGOWNOFSA-N 0 0 486.616 0.263 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000514328948 1068567816 /nfs/dbraw/zinc/56/78/16/1068567816.db2.gz FELLBRUYGXYVJM-IRXDYDNUSA-N 0 0 486.616 0.263 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000514329058 1068568382 /nfs/dbraw/zinc/56/83/82/1068568382.db2.gz VIFANPNAKWBRHZ-UHFFFAOYSA-N 0 0 460.987 0.925 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCN1CCOCC1 ZINC000514329091 1068567276 /nfs/dbraw/zinc/56/72/76/1068567276.db2.gz YGJBAAQAXQOLJJ-UHFFFAOYSA-N 0 0 461.613 0.426 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000514329445 1068537238 /nfs/dbraw/zinc/53/72/38/1068537238.db2.gz DFMGVDLTNMCRRF-UHFFFAOYSA-N 0 0 484.622 0.916 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000514329481 1068536964 /nfs/dbraw/zinc/53/69/64/1068536964.db2.gz HYPRWRBXPOUDTB-UHFFFAOYSA-N 0 0 470.570 0.943 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000514329536 1068536458 /nfs/dbraw/zinc/53/64/58/1068536458.db2.gz BMSRFWIKJCYRTN-UHFFFAOYSA-N 0 0 458.584 0.905 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 ZINC000514329713 1068569080 /nfs/dbraw/zinc/56/90/80/1068569080.db2.gz MGQMSOSJNDGIDX-DOTOQJQBSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 ZINC000514329714 1068568963 /nfs/dbraw/zinc/56/89/63/1068568963.db2.gz MGQMSOSJNDGIDX-NVXWUHKLSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000514329715 1068568943 /nfs/dbraw/zinc/56/89/43/1068568943.db2.gz MGQMSOSJNDGIDX-RDJZCZTQSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000514329716 1068568985 /nfs/dbraw/zinc/56/89/85/1068568985.db2.gz MGQMSOSJNDGIDX-WBVHZDCISA-N 0 0 457.552 0.752 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 ZINC000514329993 1068568909 /nfs/dbraw/zinc/56/89/09/1068568909.db2.gz TZXLSNBFMQAZGU-UHFFFAOYSA-N 0 0 485.566 0.425 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000514330597 1068537680 /nfs/dbraw/zinc/53/76/80/1068537680.db2.gz OAAKRSNKSBWGSP-UHFFFAOYSA-N 0 0 468.479 0.460 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1C ZINC000514332254 1068538730 /nfs/dbraw/zinc/53/87/30/1068538730.db2.gz UNDJTYDNOMDLOY-UHFFFAOYSA-N 0 0 463.943 0.917 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514332318 1068540470 /nfs/dbraw/zinc/54/04/70/1068540470.db2.gz GIWUJTVREBGMBP-UHFFFAOYSA-N 0 0 461.927 0.716 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000514332610 1068541810 /nfs/dbraw/zinc/54/18/10/1068541810.db2.gz ZRHNXPONHWGGAM-UHFFFAOYSA-N 0 0 455.540 0.297 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000514332692 1068541864 /nfs/dbraw/zinc/54/18/64/1068541864.db2.gz UYJGGMGUQYUIHW-KRWDZBQOSA-N 0 0 452.552 0.673 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000514332693 1068542059 /nfs/dbraw/zinc/54/20/59/1068542059.db2.gz UYJGGMGUQYUIHW-QGZVFWFLSA-N 0 0 452.552 0.673 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000514332894 1068541388 /nfs/dbraw/zinc/54/13/88/1068541388.db2.gz FALFWDGGQKUXPX-UHFFFAOYSA-N 0 0 485.562 0.898 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514332971 1068541486 /nfs/dbraw/zinc/54/14/86/1068541486.db2.gz KTQFUVVWJFRHET-UHFFFAOYSA-N 0 0 459.911 0.840 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514333896 1068544065 /nfs/dbraw/zinc/54/40/65/1068544065.db2.gz FZIAUKODNPESKD-UHFFFAOYSA-N 0 0 474.558 0.419 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514334167 1068544190 /nfs/dbraw/zinc/54/41/90/1068544190.db2.gz RTSNEFTWPYKAKB-UHFFFAOYSA-N 0 0 475.542 0.846 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000514334197 1068543729 /nfs/dbraw/zinc/54/37/29/1068543729.db2.gz WHNFUNGTEOJPLZ-INIZCTEOSA-N 0 0 455.536 0.889 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000514334198 1068543584 /nfs/dbraw/zinc/54/35/84/1068543584.db2.gz WHNFUNGTEOJPLZ-MRXNPFEDSA-N 0 0 455.536 0.889 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000514334200 1068543230 /nfs/dbraw/zinc/54/32/30/1068543230.db2.gz WKTSWGWOOROGES-UHFFFAOYSA-N 0 0 456.543 0.911 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1OCC(F)(F)F ZINC000514335482 1068554916 /nfs/dbraw/zinc/55/49/16/1068554916.db2.gz GWPNXRMZBUIEOW-UHFFFAOYSA-N 0 0 483.447 0.441 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 ZINC000514335908 1068552214 /nfs/dbraw/zinc/55/22/14/1068552214.db2.gz KJLXBMJLHKAQDH-UHFFFAOYSA-N 0 0 457.512 0.746 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 ZINC000514336288 1068550226 /nfs/dbraw/zinc/55/02/26/1068550226.db2.gz WKNOOYUGODDCSB-UHFFFAOYSA-N 0 0 491.614 0.444 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000514336344 1068557102 /nfs/dbraw/zinc/55/71/02/1068557102.db2.gz YZDVJACHKZHOJP-KBPBESRZSA-N 0 0 469.951 0.648 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000514336345 1068557154 /nfs/dbraw/zinc/55/71/54/1068557154.db2.gz YZDVJACHKZHOJP-OKILXGFUSA-N 0 0 469.951 0.648 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000514336346 1068557127 /nfs/dbraw/zinc/55/71/27/1068557127.db2.gz YZDVJACHKZHOJP-ZIAGYGMSSA-N 0 0 469.951 0.648 20 30 JCEDRN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000514337080 1068555381 /nfs/dbraw/zinc/55/53/81/1068555381.db2.gz UCKJDNYACSIPKS-KRWDZBQOSA-N 0 0 454.574 0.453 20 30 JCEDRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000514337081 1068555323 /nfs/dbraw/zinc/55/53/23/1068555323.db2.gz UCKJDNYACSIPKS-QGZVFWFLSA-N 0 0 454.574 0.453 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000514337597 1068558385 /nfs/dbraw/zinc/55/83/85/1068558385.db2.gz IFGMOCMXOPSBRR-UHFFFAOYSA-N 0 0 460.506 0.302 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc(OC)c2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514337612 1068558303 /nfs/dbraw/zinc/55/83/03/1068558303.db2.gz UNBWOCZWNULCBP-UHFFFAOYSA-N 0 0 486.594 0.288 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Br)c3)c(=O)n2C)CC1 ZINC000514337704 1068557737 /nfs/dbraw/zinc/55/77/37/1068557737.db2.gz RZCPZQIGBQRVNF-UHFFFAOYSA-N 0 0 461.385 0.876 20 30 JCEDRN N#Cc1cccc(OC2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)c1 ZINC000514340701 1068563525 /nfs/dbraw/zinc/56/35/25/1068563525.db2.gz XADSGJMITIFCEI-UHFFFAOYSA-N 0 0 455.559 0.404 20 30 JCEDRN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN(CCC#N)CCN3CCOCC3)nc(=O)c12 ZINC000514340824 1068563001 /nfs/dbraw/zinc/56/30/01/1068563001.db2.gz INBXFECQCROQBC-UHFFFAOYSA-N 0 0 477.543 0.535 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cs1 ZINC000514341127 1068562267 /nfs/dbraw/zinc/56/22/67/1068562267.db2.gz JACFNWAKGYJTDT-UHFFFAOYSA-N 0 0 473.624 0.386 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C[C@@H]3CCCO3)c2=O)cs1 ZINC000514341631 1068605504 /nfs/dbraw/zinc/60/55/04/1068605504.db2.gz RMWIYJBAABJLQA-KRWDZBQOSA-N 0 0 487.651 0.775 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C[C@H]3CCCO3)c2=O)cs1 ZINC000514341632 1068605581 /nfs/dbraw/zinc/60/55/81/1068605581.db2.gz RMWIYJBAABJLQA-QGZVFWFLSA-N 0 0 487.651 0.775 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cs1 ZINC000514341841 1068604794 /nfs/dbraw/zinc/60/47/94/1068604794.db2.gz VPGWZYGVTPGDJC-UHFFFAOYSA-N 0 0 461.613 0.289 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC000514343184 1068570475 /nfs/dbraw/zinc/57/04/75/1068570475.db2.gz PVSKCMWNIDSHJH-UHFFFAOYSA-N 0 0 473.559 0.213 20 30 JCEDRN Cc1ccc(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1S(=O)(=O)NCC#N ZINC000514344603 1068575293 /nfs/dbraw/zinc/57/52/93/1068575293.db2.gz BJABSBDEUYRYQF-UHFFFAOYSA-N 0 0 490.630 0.107 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000514345289 1067949060 /nfs/dbraw/zinc/94/90/60/1067949060.db2.gz QQISCWPEGNHGSH-UHFFFAOYSA-N 0 0 487.604 0.220 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N[C@@H](C#N)C1CC1 ZINC000514347387 1068580918 /nfs/dbraw/zinc/58/09/18/1068580918.db2.gz XKCBKVWXSRRJGC-KRWDZBQOSA-N 0 0 482.584 0.806 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N[C@H](C#N)C1CC1 ZINC000514347388 1068581006 /nfs/dbraw/zinc/58/10/06/1068581006.db2.gz XKCBKVWXSRRJGC-QGZVFWFLSA-N 0 0 482.584 0.806 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCN3CCOCC3)c2=O)s1 ZINC000514347468 1068582522 /nfs/dbraw/zinc/58/25/22/1068582522.db2.gz ZLDNYVDRTCTEDM-INIZCTEOSA-N 0 0 490.651 0.520 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCN3CCOCC3)c2=O)s1 ZINC000514347469 1068582791 /nfs/dbraw/zinc/58/27/91/1068582791.db2.gz ZLDNYVDRTCTEDM-MRXNPFEDSA-N 0 0 490.651 0.520 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000514347700 1068582732 /nfs/dbraw/zinc/58/27/32/1068582732.db2.gz LZJBWHQKOMVPSL-UHFFFAOYSA-N 0 0 484.534 0.528 20 30 JCEDRN C=CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000514348488 1068583806 /nfs/dbraw/zinc/58/38/06/1068583806.db2.gz SQNRJJSCLHKZCZ-AZUAARDMSA-N 0 0 453.547 0.919 20 30 JCEDRN C=CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000514348489 1068583896 /nfs/dbraw/zinc/58/38/96/1068583896.db2.gz SQNRJJSCLHKZCZ-ICSRJNTNSA-N 0 0 453.547 0.919 20 30 JCEDRN C=CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000514348490 1068584002 /nfs/dbraw/zinc/58/40/02/1068584002.db2.gz SQNRJJSCLHKZCZ-QUCCMNQESA-N 0 0 453.547 0.919 20 30 JCEDRN C=CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000514348491 1068583730 /nfs/dbraw/zinc/58/37/30/1068583730.db2.gz SQNRJJSCLHKZCZ-UYAOXDASSA-N 0 0 453.547 0.919 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000514350460 1068590016 /nfs/dbraw/zinc/59/00/16/1068590016.db2.gz BZGVDUBMQIEPOH-AWEZNQCLSA-N 0 0 470.530 0.694 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000514350461 1068589363 /nfs/dbraw/zinc/58/93/63/1068589363.db2.gz BZGVDUBMQIEPOH-CQSZACIVSA-N 0 0 470.530 0.694 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000514350496 1068589198 /nfs/dbraw/zinc/58/91/98/1068589198.db2.gz ICKGAUPUPPWSKD-AWEZNQCLSA-N 0 0 468.514 0.470 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000514350497 1068589580 /nfs/dbraw/zinc/58/95/80/1068589580.db2.gz ICKGAUPUPPWSKD-CQSZACIVSA-N 0 0 468.514 0.470 20 30 JCEDRN C=CCc1cc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(OC)c1OC ZINC000514352495 1068594053 /nfs/dbraw/zinc/59/40/53/1068594053.db2.gz UVKCZBRHNJTQSF-UHFFFAOYSA-N 0 0 460.531 0.645 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000514353017 1068592999 /nfs/dbraw/zinc/59/29/99/1068592999.db2.gz HZDNNFXFUPWYLA-UHFFFAOYSA-N 0 0 465.576 0.527 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 ZINC000514355565 1068600739 /nfs/dbraw/zinc/60/07/39/1068600739.db2.gz WZLYTCKIDCPYML-UHFFFAOYSA-N 0 0 494.551 0.857 20 30 JCEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514356401 1068604172 /nfs/dbraw/zinc/60/41/72/1068604172.db2.gz DJJQMBITONZQAO-UHFFFAOYSA-N 0 0 452.533 0.447 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(CC)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514356440 1068604125 /nfs/dbraw/zinc/60/41/25/1068604125.db2.gz FZQOHYNOYBIDCP-UHFFFAOYSA-N 0 0 490.651 0.522 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 ZINC000514357189 1068601536 /nfs/dbraw/zinc/60/15/36/1068601536.db2.gz YVCMNUJHQHXHAR-UHFFFAOYSA-N 0 0 476.599 0.736 20 30 JCEDRN C=CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(OC)c1 ZINC000514357913 1068604915 /nfs/dbraw/zinc/60/49/15/1068604915.db2.gz APYPXSUVWTXGTC-FQEVSTJZSA-N 0 0 468.620 0.273 20 30 JCEDRN C=CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(OC)c1 ZINC000514357915 1068604781 /nfs/dbraw/zinc/60/47/81/1068604781.db2.gz APYPXSUVWTXGTC-HXUWFJFHSA-N 0 0 468.620 0.273 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)s1 ZINC000514360778 1068628240 /nfs/dbraw/zinc/62/82/40/1068628240.db2.gz ZBRGKIJQFLHXHM-UHFFFAOYSA-N 0 0 472.636 0.991 20 30 JCEDRN CCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000514361760 1068630615 /nfs/dbraw/zinc/63/06/15/1068630615.db2.gz HZZNSWULBKTVGK-AEFFLSMTSA-N 0 0 468.601 0.289 20 30 JCEDRN CCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000514361761 1068630458 /nfs/dbraw/zinc/63/04/58/1068630458.db2.gz HZZNSWULBKTVGK-FUHWJXTLSA-N 0 0 468.601 0.289 20 30 JCEDRN CCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000514361762 1068630500 /nfs/dbraw/zinc/63/05/00/1068630500.db2.gz HZZNSWULBKTVGK-SJLPKXTDSA-N 0 0 468.601 0.289 20 30 JCEDRN CCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000514361763 1068630448 /nfs/dbraw/zinc/63/04/48/1068630448.db2.gz HZZNSWULBKTVGK-WMZOPIPTSA-N 0 0 468.601 0.289 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000514367680 1068613867 /nfs/dbraw/zinc/61/38/67/1068613867.db2.gz YVVYHUNURDRXQI-UHFFFAOYSA-N 0 0 456.528 0.282 20 30 JCEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000514367841 1068613234 /nfs/dbraw/zinc/61/32/34/1068613234.db2.gz BQUAFSXXASTAMJ-KRWDZBQOSA-N 0 0 455.378 0.888 20 30 JCEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000514367842 1068613379 /nfs/dbraw/zinc/61/33/79/1068613379.db2.gz BQUAFSXXASTAMJ-QGZVFWFLSA-N 0 0 455.378 0.888 20 30 JCEDRN C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000514370296 1068618044 /nfs/dbraw/zinc/61/80/44/1068618044.db2.gz XNKBSDOZZQIIIA-AWEZNQCLSA-N 0 0 475.527 0.784 20 30 JCEDRN C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000514370297 1068618128 /nfs/dbraw/zinc/61/81/28/1068618128.db2.gz XNKBSDOZZQIIIA-CQSZACIVSA-N 0 0 475.527 0.784 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)CC2)CC1 ZINC000514372061 1068636829 /nfs/dbraw/zinc/63/68/29/1068636829.db2.gz YDNIJWLQXYZRHF-UHFFFAOYSA-N 0 0 480.616 0.267 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)s1 ZINC000514373453 1068643395 /nfs/dbraw/zinc/64/33/95/1068643395.db2.gz RFHAMDJCCQDBPX-KRWDZBQOSA-N 0 0 488.635 0.410 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)s1 ZINC000514373454 1068643331 /nfs/dbraw/zinc/64/33/31/1068643331.db2.gz RFHAMDJCCQDBPX-QGZVFWFLSA-N 0 0 488.635 0.410 20 30 JCEDRN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc21 ZINC000514381270 1068635722 /nfs/dbraw/zinc/63/57/22/1068635722.db2.gz FRCUMNZZASMDGZ-UHFFFAOYSA-N 0 0 454.468 0.052 20 30 JCEDRN CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000514399838 1068649589 /nfs/dbraw/zinc/64/95/89/1068649589.db2.gz JZTDOKYICZSHEE-HNNXBMFYSA-N 0 0 452.558 0.553 20 30 JCEDRN CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000514399839 1068649669 /nfs/dbraw/zinc/64/96/69/1068649669.db2.gz JZTDOKYICZSHEE-OAHLLOKOSA-N 0 0 452.558 0.553 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000514417092 1068650842 /nfs/dbraw/zinc/65/08/42/1068650842.db2.gz KXSUTLSENULRNW-UHFFFAOYSA-N 0 0 456.470 0.989 20 30 JCEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000514417130 1068650147 /nfs/dbraw/zinc/65/01/47/1068650147.db2.gz MMKCRESVMJDXBT-INIZCTEOSA-N 0 0 485.522 0.802 20 30 JCEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000514417131 1068650178 /nfs/dbraw/zinc/65/01/78/1068650178.db2.gz MMKCRESVMJDXBT-MRXNPFEDSA-N 0 0 485.522 0.802 20 30 JCEDRN CCCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514434734 1068653836 /nfs/dbraw/zinc/65/38/36/1068653836.db2.gz WVAQLMJWYUGAMA-UHFFFAOYSA-N 0 0 493.524 0.628 20 30 JCEDRN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000514453473 1068669148 /nfs/dbraw/zinc/66/91/48/1068669148.db2.gz IDWPSJGGIGFWCP-HNNXBMFYSA-N 0 0 459.528 0.644 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000514453475 1068669094 /nfs/dbraw/zinc/66/90/94/1068669094.db2.gz IDWPSJGGIGFWCP-OAHLLOKOSA-N 0 0 459.528 0.644 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000514454377 1068669806 /nfs/dbraw/zinc/66/98/06/1068669806.db2.gz CTDWGSFDWZNOLD-UHFFFAOYSA-N 0 0 495.650 0.061 20 30 JCEDRN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000514456020 1068674042 /nfs/dbraw/zinc/67/40/42/1068674042.db2.gz WNUMMHVJEUCIKP-HNNXBMFYSA-N 0 0 459.528 0.644 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000514456022 1068674071 /nfs/dbraw/zinc/67/40/71/1068674071.db2.gz WNUMMHVJEUCIKP-OAHLLOKOSA-N 0 0 459.528 0.644 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1S(=O)(=O)NCC#N ZINC000514456168 1068674672 /nfs/dbraw/zinc/67/46/72/1068674672.db2.gz FZMDMTGGHCBEBX-GOSISDBHSA-N 0 0 461.588 0.956 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1S(=O)(=O)NCC#N ZINC000514456174 1068674787 /nfs/dbraw/zinc/67/47/87/1068674787.db2.gz FZMDMTGGHCBEBX-SFHVURJKSA-N 0 0 461.588 0.956 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 ZINC000514456728 1068675389 /nfs/dbraw/zinc/67/53/89/1068675389.db2.gz QFGKEXGTBPKPOD-UHFFFAOYSA-N 0 0 478.619 0.442 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000514457144 1068676546 /nfs/dbraw/zinc/67/65/46/1068676546.db2.gz TZDQFZKFBNJOJT-UHFFFAOYSA-N 0 0 455.390 0.957 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1S(=O)(=O)NCC#N ZINC000514457777 1068655663 /nfs/dbraw/zinc/65/56/63/1068655663.db2.gz UTIGVXDYHIBTEN-UHFFFAOYSA-N 0 0 461.588 0.957 20 30 JCEDRN CC1CCC(NS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000514457933 1068657921 /nfs/dbraw/zinc/65/79/21/1068657921.db2.gz XRUDYBIGXMWPSQ-UHFFFAOYSA-N 0 0 468.601 0.889 20 30 JCEDRN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000514459319 1068657925 /nfs/dbraw/zinc/65/79/25/1068657925.db2.gz GARBSFBKSROJTH-KRWDZBQOSA-N 0 0 468.601 0.747 20 30 JCEDRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000514459320 1068657938 /nfs/dbraw/zinc/65/79/38/1068657938.db2.gz GARBSFBKSROJTH-QGZVFWFLSA-N 0 0 468.601 0.747 20 30 JCEDRN COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000514460839 1068662582 /nfs/dbraw/zinc/66/25/82/1068662582.db2.gz ZCVMWBBZTVKFEA-HOTGVXAUSA-N 0 0 452.533 0.444 20 30 JCEDRN COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000514460840 1068662626 /nfs/dbraw/zinc/66/26/26/1068662626.db2.gz ZCVMWBBZTVKFEA-HZPDHXFCSA-N 0 0 452.533 0.444 20 30 JCEDRN COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000514460841 1068662544 /nfs/dbraw/zinc/66/25/44/1068662544.db2.gz ZCVMWBBZTVKFEA-IYBDPMFKSA-N 0 0 452.533 0.444 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000514461117 1068661930 /nfs/dbraw/zinc/66/19/30/1068661930.db2.gz XADYWIUWWFQKLZ-UHFFFAOYSA-N 0 0 488.570 0.829 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000514464194 1068682054 /nfs/dbraw/zinc/68/20/54/1068682054.db2.gz YUECOUUQTXWLBF-UHFFFAOYSA-N 0 0 477.564 0.810 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCN1CCOCC1 ZINC000514464828 1068684633 /nfs/dbraw/zinc/68/46/33/1068684633.db2.gz BIWVWQMDPLEITE-UHFFFAOYSA-N 0 0 490.651 0.658 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000514466208 1068686456 /nfs/dbraw/zinc/68/64/56/1068686456.db2.gz JQPIPGVAGMKTBT-KBPBESRZSA-N 0 0 462.981 0.872 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000514466209 1068686403 /nfs/dbraw/zinc/68/64/03/1068686403.db2.gz JQPIPGVAGMKTBT-OKILXGFUSA-N 0 0 462.981 0.872 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000514466211 1068686451 /nfs/dbraw/zinc/68/64/51/1068686451.db2.gz JQPIPGVAGMKTBT-ZIAGYGMSSA-N 0 0 462.981 0.872 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000514467941 1068693173 /nfs/dbraw/zinc/69/31/73/1068693173.db2.gz SUFMGPFUWBEWSM-KBPBESRZSA-N 0 0 469.951 0.648 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000514467942 1068693096 /nfs/dbraw/zinc/69/30/96/1068693096.db2.gz SUFMGPFUWBEWSM-OKILXGFUSA-N 0 0 469.951 0.648 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000514467943 1068693181 /nfs/dbraw/zinc/69/31/81/1068693181.db2.gz SUFMGPFUWBEWSM-ZIAGYGMSSA-N 0 0 469.951 0.648 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514468216 1068692462 /nfs/dbraw/zinc/69/24/62/1068692462.db2.gz YLNQCTRVVHNCJE-UHFFFAOYSA-N 0 0 474.583 0.189 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000514468474 1068698075 /nfs/dbraw/zinc/69/80/75/1068698075.db2.gz ZUKXPRIJGLJWKA-GOSISDBHSA-N 0 0 456.568 0.657 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000514468476 1068698185 /nfs/dbraw/zinc/69/81/85/1068698185.db2.gz ZUKXPRIJGLJWKA-SFHVURJKSA-N 0 0 456.568 0.657 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000514468577 1068697176 /nfs/dbraw/zinc/69/71/76/1068697176.db2.gz YVHGWEMOGUVNIR-FQEVSTJZSA-N 0 0 489.598 0.104 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000514468578 1068697408 /nfs/dbraw/zinc/69/74/08/1068697408.db2.gz YVHGWEMOGUVNIR-HXUWFJFHSA-N 0 0 489.598 0.104 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514469156 1068696512 /nfs/dbraw/zinc/69/65/12/1068696512.db2.gz AIZZQVFJJVCSOJ-UHFFFAOYSA-N 0 0 493.680 0.379 20 30 JCEDRN N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514469334 1068695819 /nfs/dbraw/zinc/69/58/19/1068695819.db2.gz JZBDDIZUBJNTCV-UHFFFAOYSA-N 0 0 467.573 0.352 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)CC1 ZINC000514473050 1068706407 /nfs/dbraw/zinc/70/64/07/1068706407.db2.gz FWLHXVIGQHJUHG-UHFFFAOYSA-N 0 0 469.011 0.696 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O ZINC000514474943 1068710904 /nfs/dbraw/zinc/71/09/04/1068710904.db2.gz ALVGBEREPGGQMW-UHFFFAOYSA-N 0 0 468.579 0.422 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCN1CCOCC1 ZINC000514474946 1068710870 /nfs/dbraw/zinc/71/08/70/1068710870.db2.gz APTIJYCWPODPQM-UHFFFAOYSA-N 0 0 492.548 0.871 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O ZINC000514474947 1068710878 /nfs/dbraw/zinc/71/08/78/1068710878.db2.gz ARBPGJRPBRFWLT-UHFFFAOYSA-N 0 0 470.595 0.668 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000514474976 1068710896 /nfs/dbraw/zinc/71/08/96/1068710896.db2.gz CMTUBZPXXREIDR-UHFFFAOYSA-N 0 0 484.578 0.056 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1F ZINC000514474985 1068711026 /nfs/dbraw/zinc/71/10/26/1068711026.db2.gz CYVYSNQQBVIPPI-UHFFFAOYSA-N 0 0 454.458 0.934 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000514475021 1068711640 /nfs/dbraw/zinc/71/16/40/1068711640.db2.gz GCMKAJRBPZVOFZ-UHFFFAOYSA-N 0 0 498.649 0.905 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000514475067 1068714025 /nfs/dbraw/zinc/71/40/25/1068714025.db2.gz JSRCAIRWIBJBGL-UHFFFAOYSA-N 0 0 468.579 0.376 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1F ZINC000514475098 1068713901 /nfs/dbraw/zinc/71/39/01/1068713901.db2.gz LPUFIKWSMBFWEU-UHFFFAOYSA-N 0 0 479.537 0.385 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000514475142 1068714075 /nfs/dbraw/zinc/71/40/75/1068714075.db2.gz OEJPJPQLETWGBU-UHFFFAOYSA-N 0 0 488.585 0.427 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000514475144 1068713805 /nfs/dbraw/zinc/71/38/05/1068713805.db2.gz OHHVDZRGYGVMHH-UHFFFAOYSA-N 0 0 476.986 0.161 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCN2CCOCC2)c1=O ZINC000514475155 1068714093 /nfs/dbraw/zinc/71/40/93/1068714093.db2.gz PEUNFARKJBZDMN-UHFFFAOYSA-N 0 0 482.606 0.766 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCN1CCOCC1 ZINC000514475160 1068713286 /nfs/dbraw/zinc/71/32/86/1068713286.db2.gz PLWZEYOHTSTIPH-UHFFFAOYSA-N 0 0 490.532 0.649 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCN1CCOCC1 ZINC000514475164 1068713954 /nfs/dbraw/zinc/71/39/54/1068713954.db2.gz PYBSKKZTIBGFBJ-UHFFFAOYSA-N 0 0 498.605 0.448 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000514475165 1068713915 /nfs/dbraw/zinc/71/39/15/1068713915.db2.gz QAYYZIPUCMELTA-UHFFFAOYSA-N 0 0 468.579 0.376 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000514475166 1068714080 /nfs/dbraw/zinc/71/40/80/1068714080.db2.gz QDZXVRKHIYZBLZ-UHFFFAOYSA-N 0 0 496.589 0.154 20 30 JCEDRN Cc1cccc(C)c1-n1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514475212 1068714011 /nfs/dbraw/zinc/71/40/11/1068714011.db2.gz SRTQQKWLAXAEBQ-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000514475305 1068713477 /nfs/dbraw/zinc/71/34/77/1068713477.db2.gz VMOUVHMJUWWEMT-UHFFFAOYSA-N 0 0 491.013 0.551 20 30 JCEDRN CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000514475339 1068713303 /nfs/dbraw/zinc/71/33/03/1068713303.db2.gz VVWZHXXKXXSOOH-UHFFFAOYSA-N 0 0 496.633 0.727 20 30 JCEDRN N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000514475340 1068713581 /nfs/dbraw/zinc/71/35/81/1068713581.db2.gz VYLJQSMGDJHSOX-UHFFFAOYSA-N 0 0 482.537 0.794 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000514475348 1068713208 /nfs/dbraw/zinc/71/32/08/1068713208.db2.gz WPENVGYFYXIDRL-KRWDZBQOSA-N 0 0 453.520 0.681 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000514475349 1068713459 /nfs/dbraw/zinc/71/34/59/1068713459.db2.gz WPENVGYFYXIDRL-QGZVFWFLSA-N 0 0 453.520 0.681 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514475801 1068715600 /nfs/dbraw/zinc/71/56/00/1068715600.db2.gz WUTVFSHTPANXKF-UHFFFAOYSA-N 0 0 482.607 0.146 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514476175 1068715180 /nfs/dbraw/zinc/71/51/80/1068715180.db2.gz NSIDMYUSRWVWRI-UHFFFAOYSA-N 0 0 490.651 0.658 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cs1 ZINC000514476240 1068714421 /nfs/dbraw/zinc/71/44/21/1068714421.db2.gz RIXFDOOSFDDQPQ-HNNXBMFYSA-N 0 0 460.581 0.470 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cs1 ZINC000514476241 1068714690 /nfs/dbraw/zinc/71/46/90/1068714690.db2.gz RIXFDOOSFDDQPQ-OAHLLOKOSA-N 0 0 460.581 0.470 20 30 JCEDRN CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000514476727 1068677272 /nfs/dbraw/zinc/67/72/72/1068677272.db2.gz HPFQELYXKLIAGR-UHFFFAOYSA-N 0 0 461.588 0.629 20 30 JCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000514480325 1068724162 /nfs/dbraw/zinc/72/41/62/1068724162.db2.gz RAFOVLATJGINHJ-HOTGVXAUSA-N 0 0 479.559 0.394 20 30 JCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000514480326 1068724147 /nfs/dbraw/zinc/72/41/47/1068724147.db2.gz RAFOVLATJGINHJ-HZPDHXFCSA-N 0 0 479.559 0.394 20 30 JCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000514480327 1068724327 /nfs/dbraw/zinc/72/43/27/1068724327.db2.gz RAFOVLATJGINHJ-IYBDPMFKSA-N 0 0 479.559 0.394 20 30 JCEDRN CCCn1c2nc(C(C)C)nc(Sc3c(C#N)c(=O)n(C)c(=O)n3C)c2c(=O)n(C)c1=O ZINC000514490685 1068736421 /nfs/dbraw/zinc/73/64/21/1068736421.db2.gz CBVANAIXLHNTHW-UHFFFAOYSA-N 0 0 457.516 0.444 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C2CC2)CC1 ZINC000514491001 1068736445 /nfs/dbraw/zinc/73/64/45/1068736445.db2.gz ITCQFGXZDYOQAI-UHFFFAOYSA-N 0 0 468.579 0.929 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCCSC ZINC000514491094 1068736475 /nfs/dbraw/zinc/73/64/75/1068736475.db2.gz PARIOQBLHLNBOB-UHFFFAOYSA-N 0 0 463.581 0.938 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C1CC1 ZINC000514491139 1068735857 /nfs/dbraw/zinc/73/58/57/1068735857.db2.gz RIYRLPJMHSGLGN-UHFFFAOYSA-N 0 0 460.506 0.474 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCCSC ZINC000514491238 1068735746 /nfs/dbraw/zinc/73/57/46/1068735746.db2.gz YEYHJSWQMMEQON-UHFFFAOYSA-N 0 0 462.553 0.837 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc4c(c(OC)c3)OCO4)c(=O)n2C2CC2)CC1 ZINC000514491325 1068735925 /nfs/dbraw/zinc/73/59/25/1068735925.db2.gz DLHRKMOZJAVHIK-UHFFFAOYSA-N 0 0 482.562 0.649 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2C2CC2)CC1 ZINC000514491361 1068735862 /nfs/dbraw/zinc/73/58/62/1068735862.db2.gz GRWLSLUDFJWMJB-UHFFFAOYSA-N 0 0 466.563 0.698 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c(C)c1 ZINC000514491394 1068735893 /nfs/dbraw/zinc/73/58/93/1068735893.db2.gz ILLJWCZZRGQOAB-UHFFFAOYSA-N 0 0 452.580 0.813 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2C2CC2)CC1 ZINC000514491407 1068735905 /nfs/dbraw/zinc/73/59/05/1068735905.db2.gz KKCQKURUPKOUCN-UHFFFAOYSA-N 0 0 468.579 0.929 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc4c(c3)OCCO4)c2=O)cs1 ZINC000514491419 1068735768 /nfs/dbraw/zinc/73/57/68/1068735768.db2.gz KXVQJHKGBDNRQZ-UHFFFAOYSA-N 0 0 496.570 0.797 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514491441 1068735882 /nfs/dbraw/zinc/73/58/82/1068735882.db2.gz MTGUJRZBXXEPMR-UHFFFAOYSA-N 0 0 472.636 0.614 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2sccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514491490 1068736952 /nfs/dbraw/zinc/73/69/52/1068736952.db2.gz QMOSKXCBPHTPCG-UHFFFAOYSA-N 0 0 492.692 0.984 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514491584 1068736925 /nfs/dbraw/zinc/73/69/25/1068736925.db2.gz YBVDIWNXPGQNAK-UHFFFAOYSA-N 0 0 474.564 0.933 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCN3CCOCC3)c2=O)cs1 ZINC000514491980 1068736959 /nfs/dbraw/zinc/73/69/59/1068736959.db2.gz FYTDCPKDCNZMOB-UHFFFAOYSA-N 0 0 473.624 0.569 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCN1CCOCC1 ZINC000514492011 1068736888 /nfs/dbraw/zinc/73/68/88/1068736888.db2.gz JFKBARGOAPGINO-UHFFFAOYSA-N 0 0 485.566 0.425 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000514492014 1068736984 /nfs/dbraw/zinc/73/69/84/1068736984.db2.gz JIKHFXRPAPFVDL-UHFFFAOYSA-N 0 0 470.595 0.526 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CCN1CCOCC1 ZINC000514492251 1068736465 /nfs/dbraw/zinc/73/64/65/1068736465.db2.gz WALVWRHPBNHUID-UHFFFAOYSA-N 0 0 483.413 0.315 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3C)c2=O)cs1 ZINC000514492256 1068736837 /nfs/dbraw/zinc/73/68/37/1068736837.db2.gz WRJTTXMSIMWKRD-UHFFFAOYSA-N 0 0 495.630 0.924 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1F ZINC000514492346 1068736344 /nfs/dbraw/zinc/73/63/44/1068736344.db2.gz QNCFCQANVKDVCG-INIZCTEOSA-N 0 0 473.526 0.598 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1F ZINC000514492347 1068736336 /nfs/dbraw/zinc/73/63/36/1068736336.db2.gz QNCFCQANVKDVCG-MRXNPFEDSA-N 0 0 473.526 0.598 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000514492353 1068736362 /nfs/dbraw/zinc/73/63/62/1068736362.db2.gz REJIOQJZDWHDBR-UHFFFAOYSA-N 0 0 498.605 0.767 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 ZINC000514492373 1068736435 /nfs/dbraw/zinc/73/64/35/1068736435.db2.gz TVEDQLYJYUHKQJ-GOSISDBHSA-N 0 0 470.595 0.205 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 ZINC000514492374 1068736520 /nfs/dbraw/zinc/73/65/20/1068736520.db2.gz TVEDQLYJYUHKQJ-SFHVURJKSA-N 0 0 470.595 0.205 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1CCN1CCOCC1 ZINC000514492391 1068736294 /nfs/dbraw/zinc/73/62/94/1068736294.db2.gz VDYZIAPEEGOZMH-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCN1CCOCC1 ZINC000514492399 1068736508 /nfs/dbraw/zinc/73/65/08/1068736508.db2.gz VSGFLBMOOFTHFD-UHFFFAOYSA-N 0 0 483.594 0.230 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000514492417 1068736353 /nfs/dbraw/zinc/73/63/53/1068736353.db2.gz XRAQUMHAKVGZIZ-INIZCTEOSA-N 0 0 485.562 0.898 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000514492418 1068736307 /nfs/dbraw/zinc/73/63/07/1068736307.db2.gz XRAQUMHAKVGZIZ-MRXNPFEDSA-N 0 0 485.562 0.898 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 ZINC000514492433 1068736488 /nfs/dbraw/zinc/73/64/88/1068736488.db2.gz YUCCETGBNFKMMV-UHFFFAOYSA-N 0 0 490.651 0.738 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000514492456 1068736412 /nfs/dbraw/zinc/73/64/12/1068736412.db2.gz AKACAXOWZQYUPH-CRAIPNDOSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000514492457 1068736400 /nfs/dbraw/zinc/73/64/00/1068736400.db2.gz AKACAXOWZQYUPH-MAUKXSAKSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000514492458 1068736386 /nfs/dbraw/zinc/73/63/86/1068736386.db2.gz AKACAXOWZQYUPH-QAPCUYQASA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000514492459 1068736496 /nfs/dbraw/zinc/73/64/96/1068736496.db2.gz AKACAXOWZQYUPH-YJBOKZPZSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000514492594 1068737548 /nfs/dbraw/zinc/73/75/48/1068737548.db2.gz NMNQABCUIDKWLW-INIZCTEOSA-N 0 0 491.013 0.550 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000514492595 1068737386 /nfs/dbraw/zinc/73/73/86/1068737386.db2.gz NMNQABCUIDKWLW-MRXNPFEDSA-N 0 0 491.013 0.550 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000514492662 1068737494 /nfs/dbraw/zinc/73/74/94/1068737494.db2.gz UJKHPKSCZRHTAW-UHFFFAOYSA-N 0 0 456.568 0.280 20 30 JCEDRN Cn1c2ncc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc2c(=O)n(C)c1=O ZINC000514494114 1068737564 /nfs/dbraw/zinc/73/75/64/1068737564.db2.gz YWWSTUQVKDIBJZ-UHFFFAOYSA-N 0 0 458.482 0.634 20 30 JCEDRN CN(CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000514501082 1068735292 /nfs/dbraw/zinc/73/52/92/1068735292.db2.gz UGWYXRBXFMCQSE-UHFFFAOYSA-N 0 0 477.568 0.175 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000514517028 1068740492 /nfs/dbraw/zinc/74/04/92/1068740492.db2.gz ODAOPAUJVRVKSV-UHFFFAOYSA-N 0 0 467.378 0.798 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000514517059 1068740461 /nfs/dbraw/zinc/74/04/61/1068740461.db2.gz IZHDXYUSWFFULP-GFCCVEGCSA-N 0 0 494.367 0.815 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000514517060 1068740407 /nfs/dbraw/zinc/74/04/07/1068740407.db2.gz IZHDXYUSWFFULP-LBPRGKRZSA-N 0 0 494.367 0.815 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCN1CCOCC1 ZINC000514517096 1068740480 /nfs/dbraw/zinc/74/04/80/1068740480.db2.gz WZKCQOHWWGQUKZ-UHFFFAOYSA-N 0 0 477.384 0.254 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000514518970 1068740548 /nfs/dbraw/zinc/74/05/48/1068740548.db2.gz PFHOSVNWSUSSHW-UHFFFAOYSA-N 0 0 484.943 0.755 20 30 JCEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1=O ZINC000514520944 1068740967 /nfs/dbraw/zinc/74/09/67/1068740967.db2.gz CHOPUPMKEMMZOF-UHFFFAOYSA-N 0 0 457.512 0.183 20 30 JCEDRN C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 ZINC000514521010 1068740988 /nfs/dbraw/zinc/74/09/88/1068740988.db2.gz JDXFSEVACBRSJV-CRAIPNDOSA-N 0 0 468.579 0.913 20 30 JCEDRN C[C@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 ZINC000514521011 1068741059 /nfs/dbraw/zinc/74/10/59/1068741059.db2.gz JDXFSEVACBRSJV-MAUKXSAKSA-N 0 0 468.579 0.913 20 30 JCEDRN C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 ZINC000514521012 1068741032 /nfs/dbraw/zinc/74/10/32/1068741032.db2.gz JDXFSEVACBRSJV-QAPCUYQASA-N 0 0 468.579 0.913 20 30 JCEDRN C[C@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 ZINC000514521013 1068741127 /nfs/dbraw/zinc/74/11/27/1068741127.db2.gz JDXFSEVACBRSJV-YJBOKZPZSA-N 0 0 468.579 0.913 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCSC)c2=O)oc1C ZINC000514521207 1068741017 /nfs/dbraw/zinc/74/10/17/1068741017.db2.gz GMYOHWJBKZIDHI-UHFFFAOYSA-N 0 0 491.591 0.713 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 ZINC000514521228 1068741093 /nfs/dbraw/zinc/74/10/93/1068741093.db2.gz HILLUFDSFILCSA-UHFFFAOYSA-N 0 0 470.620 0.918 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C1CC1 ZINC000514521268 1068741138 /nfs/dbraw/zinc/74/11/38/1068741138.db2.gz IRMYLRLXWXKWSU-UHFFFAOYSA-N 0 0 458.971 0.850 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c(OC)c1 ZINC000514521482 1068741045 /nfs/dbraw/zinc/74/10/45/1068741045.db2.gz LXXKTJPKMIXLEH-UHFFFAOYSA-N 0 0 484.578 0.213 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C1CC1 ZINC000514521589 1068740978 /nfs/dbraw/zinc/74/09/78/1068740978.db2.gz UEWIVBNIWHDPLU-UHFFFAOYSA-N 0 0 457.508 0.290 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCCSC ZINC000514521640 1068741176 /nfs/dbraw/zinc/74/11/76/1068741176.db2.gz OGJFIXSUIFZVKA-UHFFFAOYSA-N 0 0 475.592 0.700 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514522152 1068741627 /nfs/dbraw/zinc/74/16/27/1068741627.db2.gz UTNQQVAXZLUHIQ-UHFFFAOYSA-N 0 0 497.602 0.574 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCN1CCOCC1 ZINC000514522206 1068741653 /nfs/dbraw/zinc/74/16/53/1068741653.db2.gz CHMRVODJQLJJPJ-UHFFFAOYSA-N 0 0 472.636 0.993 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000514522224 1068741691 /nfs/dbraw/zinc/74/16/91/1068741691.db2.gz FOLIPSUSKRIPBE-UHFFFAOYSA-N 0 0 471.539 0.179 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCN3CCOCC3)c2=O)o1 ZINC000514522287 1068741587 /nfs/dbraw/zinc/74/15/87/1068741587.db2.gz LLQGMDOTHWCBMG-UHFFFAOYSA-N 0 0 456.568 0.705 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCN2CCOCC2)c1=O ZINC000514522316 1068741730 /nfs/dbraw/zinc/74/17/30/1068741730.db2.gz NEVOEFZZMDFFCO-UHFFFAOYSA-N 0 0 460.625 0.887 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000514522341 1068741670 /nfs/dbraw/zinc/74/16/70/1068741670.db2.gz ONTFXAFAPIBRPJ-UHFFFAOYSA-N 0 0 473.551 0.755 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000514522509 1068741735 /nfs/dbraw/zinc/74/17/35/1068741735.db2.gz COIRUTJBHKEZGX-INIZCTEOSA-N 0 0 491.013 0.550 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000514522510 1068741661 /nfs/dbraw/zinc/74/16/61/1068741661.db2.gz COIRUTJBHKEZGX-MRXNPFEDSA-N 0 0 491.013 0.550 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000514522517 1068742253 /nfs/dbraw/zinc/74/22/53/1068742253.db2.gz DLPFRBGWRLISOH-UHFFFAOYSA-N 0 0 476.549 0.795 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000514522672 1068742362 /nfs/dbraw/zinc/74/23/62/1068742362.db2.gz SNDALBICGDOQJJ-UHFFFAOYSA-N 0 0 486.594 0.288 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc2c1OCCO2 ZINC000514522703 1068742142 /nfs/dbraw/zinc/74/21/42/1068742142.db2.gz UJPTVSBLNRBVTL-UHFFFAOYSA-N 0 0 485.562 0.707 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCN1CCOCC1 ZINC000514522931 1068741702 /nfs/dbraw/zinc/74/17/02/1068741702.db2.gz QBPKDVCERTUSFL-IBGZPJMESA-N 0 0 484.622 0.513 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCN1CCOCC1 ZINC000514522932 1068741684 /nfs/dbraw/zinc/74/16/84/1068741684.db2.gz QBPKDVCERTUSFL-LJQANCHMSA-N 0 0 484.622 0.513 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000514522946 1068741709 /nfs/dbraw/zinc/74/17/09/1068741709.db2.gz REGDNCQDZFVMKZ-HNNXBMFYSA-N 0 0 487.534 0.092 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000514522947 1068741675 /nfs/dbraw/zinc/74/16/75/1068741675.db2.gz REGDNCQDZFVMKZ-OAHLLOKOSA-N 0 0 487.534 0.092 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1C ZINC000514522960 1068742265 /nfs/dbraw/zinc/74/22/65/1068742265.db2.gz SNSQXGYXYNTGEQ-UHFFFAOYSA-N 0 0 466.607 0.949 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc(C)c1OC(F)F ZINC000514523017 1068742180 /nfs/dbraw/zinc/74/21/80/1068742180.db2.gz UXUKXLDGRUIADV-UHFFFAOYSA-N 0 0 492.548 0.617 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCCC(=O)OC ZINC000514523038 1068742274 /nfs/dbraw/zinc/74/22/74/1068742274.db2.gz WMQMHPIZTMJRAX-UHFFFAOYSA-N 0 0 458.496 0.800 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 ZINC000514523116 1068741573 /nfs/dbraw/zinc/74/15/73/1068741573.db2.gz YZMPJUATUXIIOK-UHFFFAOYSA-N 0 0 484.622 0.676 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000514523123 1068741723 /nfs/dbraw/zinc/74/17/23/1068741723.db2.gz ZMIMCDHCFGEHIJ-UHFFFAOYSA-N 0 0 465.000 0.739 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCCC(=O)OC ZINC000514523241 1068741632 /nfs/dbraw/zinc/74/16/32/1068741632.db2.gz AESWCLVOXTYYED-UHFFFAOYSA-N 0 0 458.496 0.800 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc4c(c(Cl)c3)OCO4)c(=O)n2C)CC1 ZINC000514523269 1068741597 /nfs/dbraw/zinc/74/15/97/1068741597.db2.gz FUAUIPHXQCIROR-UHFFFAOYSA-N 0 0 460.943 0.496 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000514523683 1068742921 /nfs/dbraw/zinc/74/29/21/1068742921.db2.gz WVFPXAXULMVLQC-UHFFFAOYSA-N 0 0 461.927 0.786 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000514523693 1068742160 /nfs/dbraw/zinc/74/21/60/1068742160.db2.gz YKMKPFBIDKBSDF-UHFFFAOYSA-N 0 0 471.535 0.531 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000514523749 1068742333 /nfs/dbraw/zinc/74/23/33/1068742333.db2.gz NLVGQXBALOEKPR-CYBMUJFWSA-N 0 0 461.927 0.762 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000514523750 1068742320 /nfs/dbraw/zinc/74/23/20/1068742320.db2.gz NLVGQXBALOEKPR-ZDUSSCGKSA-N 0 0 461.927 0.762 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(C)C ZINC000514524296 1068742169 /nfs/dbraw/zinc/74/21/69/1068742169.db2.gz MZMVCBDBLTUXEM-UHFFFAOYSA-N 0 0 475.567 0.857 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000514524351 1068742393 /nfs/dbraw/zinc/74/23/93/1068742393.db2.gz GUCUOGMVPZKSQC-KRWDZBQOSA-N 0 0 487.578 0.762 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C[C@H]1CCCO1 ZINC000514524352 1068742351 /nfs/dbraw/zinc/74/23/51/1068742351.db2.gz GUCUOGMVPZKSQC-QGZVFWFLSA-N 0 0 487.578 0.762 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000514524518 1068742728 /nfs/dbraw/zinc/74/27/28/1068742728.db2.gz YIIFCYMDIYEJOZ-KRWDZBQOSA-N 0 0 471.535 0.141 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000514524519 1068742816 /nfs/dbraw/zinc/74/28/16/1068742816.db2.gz YIIFCYMDIYEJOZ-QGZVFWFLSA-N 0 0 471.535 0.141 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000514525212 1068739292 /nfs/dbraw/zinc/73/92/92/1068739292.db2.gz YVIARLMUPZQKHI-UHFFFAOYSA-N 0 0 456.528 0.881 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCC(=O)N3CCOCC3)n2c2ccccc2c1=O ZINC000514530436 1068743331 /nfs/dbraw/zinc/74/33/31/1068743331.db2.gz IUKQKDRQPLGTOD-UHFFFAOYSA-N 0 0 456.528 0.687 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000514535765 1068744765 /nfs/dbraw/zinc/74/47/65/1068744765.db2.gz ZZILFVKYETVXRH-KRWDZBQOSA-N 0 0 485.562 0.507 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000514535766 1068744757 /nfs/dbraw/zinc/74/47/57/1068744757.db2.gz ZZILFVKYETVXRH-QGZVFWFLSA-N 0 0 485.562 0.507 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2Cc2ccccc2)CC1 ZINC000514537507 1068744605 /nfs/dbraw/zinc/74/46/05/1068744605.db2.gz APSPCUWGPADOSX-UHFFFAOYSA-N 0 0 462.579 0.359 20 30 JCEDRN CC(C)(C)NS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000514540454 1068745243 /nfs/dbraw/zinc/74/52/43/1068745243.db2.gz KMPSDGJGISWHMW-UHFFFAOYSA-N 0 0 456.590 0.793 20 30 JCEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c2)c1 ZINC000514547514 1068747086 /nfs/dbraw/zinc/74/70/86/1068747086.db2.gz ORZQQRWBOCEUTB-UHFFFAOYSA-N 0 0 457.508 0.867 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000514550031 1068749849 /nfs/dbraw/zinc/74/98/49/1068749849.db2.gz QDGFPYOJXYLHRA-UHFFFAOYSA-N 0 0 456.470 0.989 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 ZINC000514553504 1068750987 /nfs/dbraw/zinc/75/09/87/1068750987.db2.gz XVQMWTJHXQQLDS-UHFFFAOYSA-N 0 0 473.555 0.980 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000514554085 1068752102 /nfs/dbraw/zinc/75/21/02/1068752102.db2.gz NKRVZRYZPGBLJV-UHFFFAOYSA-N 0 0 471.539 0.758 20 30 JCEDRN CCCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514563497 1068754469 /nfs/dbraw/zinc/75/44/69/1068754469.db2.gz WKOPYXMJBQOYCN-UHFFFAOYSA-N 0 0 459.507 0.235 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(C)C)cc1 ZINC000514618006 1068758032 /nfs/dbraw/zinc/75/80/32/1068758032.db2.gz QCJJKBBLSBROPZ-UHFFFAOYSA-N 0 0 467.551 0.685 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000514644741 1068758760 /nfs/dbraw/zinc/75/87/60/1068758760.db2.gz BPOYOKOXUCDZPN-INIZCTEOSA-N 0 0 458.496 0.263 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000514644742 1068758892 /nfs/dbraw/zinc/75/88/92/1068758892.db2.gz BPOYOKOXUCDZPN-MRXNPFEDSA-N 0 0 458.496 0.263 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514644751 1068758856 /nfs/dbraw/zinc/75/88/56/1068758856.db2.gz BYGVVASRECEPRP-UHFFFAOYSA-N 0 0 460.987 0.925 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 ZINC000514644768 1068758728 /nfs/dbraw/zinc/75/87/28/1068758728.db2.gz DAIWNSZYSXKBCK-GOSISDBHSA-N 0 0 486.569 0.179 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 ZINC000514644769 1068758704 /nfs/dbraw/zinc/75/87/04/1068758704.db2.gz DAIWNSZYSXKBCK-SFHVURJKSA-N 0 0 486.569 0.179 20 30 JCEDRN C=CCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514644793 1068758718 /nfs/dbraw/zinc/75/87/18/1068758718.db2.gz DXXSSEXZTVGEIL-UHFFFAOYSA-N 0 0 476.961 0.840 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1 ZINC000514644841 1068758781 /nfs/dbraw/zinc/75/87/81/1068758781.db2.gz CACLLBNIKRRNLI-UHFFFAOYSA-N 0 0 478.549 0.990 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000514644843 1068758818 /nfs/dbraw/zinc/75/88/18/1068758818.db2.gz CCEOMMSPLOXQCY-IBGZPJMESA-N 0 0 497.577 0.664 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000514644844 1068758733 /nfs/dbraw/zinc/75/87/33/1068758733.db2.gz CCEOMMSPLOXQCY-LJQANCHMSA-N 0 0 497.577 0.664 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccc1 ZINC000514644848 1068758754 /nfs/dbraw/zinc/75/87/54/1068758754.db2.gz CGGZNDBDOAPOGS-UHFFFAOYSA-N 0 0 489.601 0.499 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000514644885 1068759455 /nfs/dbraw/zinc/75/94/55/1068759455.db2.gz DGXZOZWIFXUOCJ-KRWDZBQOSA-N 0 0 472.523 0.653 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000514644886 1068759246 /nfs/dbraw/zinc/75/92/46/1068759246.db2.gz DGXZOZWIFXUOCJ-QGZVFWFLSA-N 0 0 472.523 0.653 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O ZINC000514644933 1068759396 /nfs/dbraw/zinc/75/93/96/1068759396.db2.gz GEWLNPIBYADRDG-UHFFFAOYSA-N 0 0 460.625 0.887 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000514644974 1068759350 /nfs/dbraw/zinc/75/93/50/1068759350.db2.gz HIGRUKOGVDOPQF-UHFFFAOYSA-N 0 0 467.595 0.945 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC)cc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514644990 1068759409 /nfs/dbraw/zinc/75/94/09/1068759409.db2.gz HNXODPNUWPFDLU-UHFFFAOYSA-N 0 0 486.594 0.288 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514645023 1068758832 /nfs/dbraw/zinc/75/88/32/1068758832.db2.gz IENPQNFAWNDSDF-UHFFFAOYSA-N 0 0 492.548 0.873 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O ZINC000514645035 1068758898 /nfs/dbraw/zinc/75/88/98/1068758898.db2.gz IMLZWTSLFBTDCI-UHFFFAOYSA-N 0 0 454.596 0.826 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)c1 ZINC000514645306 1068759216 /nfs/dbraw/zinc/75/92/16/1068759216.db2.gz IGZSJVJXDSGXPT-UHFFFAOYSA-N 0 0 490.585 0.859 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514645317 1068758789 /nfs/dbraw/zinc/75/87/89/1068758789.db2.gz JDGFVVIYXLHBNJ-UHFFFAOYSA-N 0 0 488.585 0.427 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514645336 1068758863 /nfs/dbraw/zinc/75/88/63/1068758863.db2.gz JMWVLLLBMMNUJM-UHFFFAOYSA-N 0 0 472.523 0.606 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccccc1 ZINC000514645565 1068758769 /nfs/dbraw/zinc/75/87/69/1068758769.db2.gz NYOXGVYXYZNBMI-UHFFFAOYSA-N 0 0 474.586 0.910 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514645721 1068759286 /nfs/dbraw/zinc/75/92/86/1068759286.db2.gz OILBMTUXBNOWDV-UHFFFAOYSA-N 0 0 487.578 0.715 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000514645773 1068759300 /nfs/dbraw/zinc/75/93/00/1068759300.db2.gz QWRQAEFZDUUATL-GOSISDBHSA-N 0 0 453.568 0.151 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000514645774 1068759371 /nfs/dbraw/zinc/75/93/71/1068759371.db2.gz QWRQAEFZDUUATL-SFHVURJKSA-N 0 0 453.568 0.151 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(-n2c(=O)c(=Cc3ccccc3)sc2=C(C#N)C(=O)NC2CC2)c1 ZINC000514645886 1068759424 /nfs/dbraw/zinc/75/94/24/1068759424.db2.gz OZDZNHKPJYRGNY-UHFFFAOYSA-N 0 0 494.598 0.931 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1 ZINC000514645988 1068759256 /nfs/dbraw/zinc/75/92/56/1068759256.db2.gz QWBZAKPHAHNFKZ-GOSISDBHSA-N 0 0 455.536 0.459 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000514645989 1068759205 /nfs/dbraw/zinc/75/92/05/1068759205.db2.gz QWBZAKPHAHNFKZ-SFHVURJKSA-N 0 0 455.536 0.459 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1 ZINC000514646280 1068759323 /nfs/dbraw/zinc/75/93/23/1068759323.db2.gz UYNYIPYQRDHHFP-UHFFFAOYSA-N 0 0 466.588 0.912 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514646312 1068759438 /nfs/dbraw/zinc/75/94/38/1068759438.db2.gz ZXVFGRMYJXSKPV-UHFFFAOYSA-N 0 0 471.539 0.179 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c(C)c1 ZINC000514646397 1068759461 /nfs/dbraw/zinc/75/94/61/1068759461.db2.gz XDIANVYCQZDDDL-NRFANRHFSA-N 0 0 496.633 0.657 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)c(C)c1 ZINC000514646401 1068759223 /nfs/dbraw/zinc/75/92/23/1068759223.db2.gz XDIANVYCQZDDDL-OAQYLSRUSA-N 0 0 496.633 0.657 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c(OC)c1 ZINC000514646420 1068759337 /nfs/dbraw/zinc/75/93/37/1068759337.db2.gz XJKMYPNQISXECI-GOSISDBHSA-N 0 0 485.562 0.468 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c(OC)c1 ZINC000514646421 1068759472 /nfs/dbraw/zinc/75/94/72/1068759472.db2.gz XJKMYPNQISXECI-SFHVURJKSA-N 0 0 485.562 0.468 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1OC ZINC000514647772 1068759267 /nfs/dbraw/zinc/75/92/67/1068759267.db2.gz CGLNYYJIHDBMAV-UHFFFAOYSA-N 0 0 486.594 0.287 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2CCN2CCOCC2)CC1 ZINC000514647869 1068760007 /nfs/dbraw/zinc/76/00/07/1068760007.db2.gz JBVGHBJRICIKJM-UHFFFAOYSA-N 0 0 495.649 0.218 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000514648308 1068760427 /nfs/dbraw/zinc/76/04/27/1068760427.db2.gz NVCLLAKVEGJMCN-UHFFFAOYSA-N 0 0 452.580 0.676 20 30 JCEDRN N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000514648330 1068760514 /nfs/dbraw/zinc/76/05/14/1068760514.db2.gz OOIFXGMMONBDJB-UHFFFAOYSA-N 0 0 477.594 0.506 20 30 JCEDRN N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000514648349 1068760416 /nfs/dbraw/zinc/76/04/16/1068760416.db2.gz POHGZFKPVIRLQF-UHFFFAOYSA-N 0 0 482.537 0.794 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000514648362 1068760711 /nfs/dbraw/zinc/76/07/11/1068760711.db2.gz PWGPDBFYRNJQOB-UHFFFAOYSA-N 0 0 471.539 0.178 20 30 JCEDRN Cc1cccc(C)c1-n1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514648426 1068759970 /nfs/dbraw/zinc/75/99/70/1068759970.db2.gz BDDAGDAEDCYKBY-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1OC ZINC000514648428 1068760036 /nfs/dbraw/zinc/76/00/36/1068760036.db2.gz RPXFURWKOSCFAF-UHFFFAOYSA-N 0 0 498.605 0.431 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000514648457 1068759800 /nfs/dbraw/zinc/75/98/00/1068759800.db2.gz SNGPIDRQGIILFG-UHFFFAOYSA-N 0 0 488.585 0.427 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000514648466 1068759982 /nfs/dbraw/zinc/75/99/82/1068759982.db2.gz UECNAJMURXPDIY-UHFFFAOYSA-N 0 0 454.596 0.887 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000514648508 1068759994 /nfs/dbraw/zinc/75/99/94/1068759994.db2.gz WDNQBNKEQYQHJL-UHFFFAOYSA-N 0 0 491.013 0.551 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2CCN2CCOCC2)CC1 ZINC000514648534 1068759918 /nfs/dbraw/zinc/75/99/18/1068759918.db2.gz WVAUSEFBRGHUNK-UHFFFAOYSA-N 0 0 499.612 0.048 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000514648543 1068760049 /nfs/dbraw/zinc/76/00/49/1068760049.db2.gz DROMHXJZFSSUFB-UHFFFAOYSA-N 0 0 484.578 0.064 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 ZINC000514648546 1068759822 /nfs/dbraw/zinc/75/98/22/1068759822.db2.gz DTIPFGUIPOVTLY-UHFFFAOYSA-N 0 0 484.622 0.596 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000514648576 1068759872 /nfs/dbraw/zinc/75/98/72/1068759872.db2.gz GLWSBXOWNOFNTB-UHFFFAOYSA-N 0 0 498.649 0.823 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000514648601 1068759837 /nfs/dbraw/zinc/75/98/37/1068759837.db2.gz IWOBRQJKLGBCNN-UHFFFAOYSA-N 0 0 495.605 0.326 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000514648619 1068759883 /nfs/dbraw/zinc/75/98/83/1068759883.db2.gz JNBVQRWFYWYIGW-UHFFFAOYSA-N 0 0 498.605 0.003 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 ZINC000514648655 1068759907 /nfs/dbraw/zinc/75/99/07/1068759907.db2.gz LMJYCIBBENPYJW-UHFFFAOYSA-N 0 0 454.596 0.970 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCN1CCOCC1 ZINC000514648685 1068759893 /nfs/dbraw/zinc/75/98/93/1068759893.db2.gz NZLHXWNXZZSRDJ-UHFFFAOYSA-N 0 0 497.621 0.620 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000514648691 1068759831 /nfs/dbraw/zinc/75/98/31/1068759831.db2.gz ORNUDFSCHDHQKP-KRWDZBQOSA-N 0 0 455.536 0.911 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C[C@H]1CCCO1 ZINC000514648692 1068759850 /nfs/dbraw/zinc/75/98/50/1068759850.db2.gz ORNUDFSCHDHQKP-QGZVFWFLSA-N 0 0 455.536 0.911 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCN3CCOCC3)c2=O)cc1 ZINC000514648718 1068760539 /nfs/dbraw/zinc/76/05/39/1068760539.db2.gz RCBPSCRMYSLXJZ-UHFFFAOYSA-N 0 0 484.622 0.460 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1OC ZINC000514648748 1068760471 /nfs/dbraw/zinc/76/04/71/1068760471.db2.gz UPUKPQKGMPKKGN-UHFFFAOYSA-N 0 0 484.578 0.041 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000514648749 1068759812 /nfs/dbraw/zinc/75/98/12/1068759812.db2.gz UQIRULMEEGQNKX-UHFFFAOYSA-N 0 0 476.961 0.840 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 ZINC000514648750 1068760525 /nfs/dbraw/zinc/76/05/25/1068760525.db2.gz UQLUXRJFSUMMDA-UHFFFAOYSA-N 0 0 476.549 0.940 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCN1CCOCC1 ZINC000514648797 1068759957 /nfs/dbraw/zinc/75/99/57/1068759957.db2.gz WYEDFHYJUCIKKA-UHFFFAOYSA-N 0 0 476.624 0.268 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)c(C)c1 ZINC000514648824 1068759942 /nfs/dbraw/zinc/75/99/42/1068759942.db2.gz YXBANZXXQUNOKX-UHFFFAOYSA-N 0 0 496.633 0.529 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NC ZINC000514654461 1068760695 /nfs/dbraw/zinc/76/06/95/1068760695.db2.gz IGSLISJPVPITJO-UHFFFAOYSA-N 0 0 461.540 0.611 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000514658634 1068760504 /nfs/dbraw/zinc/76/05/04/1068760504.db2.gz QVRWYIAKMOKSCQ-UHFFFAOYSA-N 0 0 467.378 0.798 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(Br)c(O)c(OC)c2)sc1=C(C#N)C(=O)NC ZINC000514658650 1068760565 /nfs/dbraw/zinc/76/05/65/1068760565.db2.gz VXQCPUNIMDVGRG-UHFFFAOYSA-N 0 0 450.314 0.822 20 30 JCEDRN C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)o1 ZINC000514687852 1068761772 /nfs/dbraw/zinc/76/17/72/1068761772.db2.gz UVUWCEBUSXXZOB-CRAIPNDOSA-N 0 0 468.579 0.740 20 30 JCEDRN C[C@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)o1 ZINC000514687855 1068761816 /nfs/dbraw/zinc/76/18/16/1068761816.db2.gz UVUWCEBUSXXZOB-MAUKXSAKSA-N 0 0 468.579 0.740 20 30 JCEDRN C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)o1 ZINC000514687856 1068761800 /nfs/dbraw/zinc/76/18/00/1068761800.db2.gz UVUWCEBUSXXZOB-QAPCUYQASA-N 0 0 468.579 0.740 20 30 JCEDRN C[C@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)o1 ZINC000514687857 1068761925 /nfs/dbraw/zinc/76/19/25/1068761925.db2.gz UVUWCEBUSXXZOB-YJBOKZPZSA-N 0 0 468.579 0.740 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)NC1CC1 ZINC000514712414 1068763127 /nfs/dbraw/zinc/76/31/27/1068763127.db2.gz DVAAQEXUGZWLDZ-UHFFFAOYSA-N 0 0 459.524 0.806 20 30 JCEDRN COc1ccc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000514718922 1068763793 /nfs/dbraw/zinc/76/37/93/1068763793.db2.gz KMPKHUXXUFIWCO-UHFFFAOYSA-N 0 0 485.566 0.874 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000514721139 1068763811 /nfs/dbraw/zinc/76/38/11/1068763811.db2.gz HPASGTJAOWQIMW-UHFFFAOYSA-N 0 0 456.590 0.080 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000514721399 1068763725 /nfs/dbraw/zinc/76/37/25/1068763725.db2.gz YNZBMNAFHUUGQA-UHFFFAOYSA-N 0 0 456.524 0.952 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3ccco3)CC2)CC1 ZINC000514745479 1068764250 /nfs/dbraw/zinc/76/42/50/1068764250.db2.gz UYQVXYGPGCZLTI-UHFFFAOYSA-N 0 0 457.556 0.802 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCCSC)CC1 ZINC000514754401 1068765044 /nfs/dbraw/zinc/76/50/44/1068765044.db2.gz HDQDHVCQJWJXHF-UHFFFAOYSA-N 0 0 460.629 0.064 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1C ZINC000514765233 1068765582 /nfs/dbraw/zinc/76/55/82/1068765582.db2.gz KTZQACJKLOHUMF-UHFFFAOYSA-N 0 0 470.595 0.587 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000514765385 1068765430 /nfs/dbraw/zinc/76/54/30/1068765430.db2.gz SDQBIRADWIGHCI-UHFFFAOYSA-N 0 0 455.536 0.962 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCN1CCOCC1 ZINC000514835259 1068769584 /nfs/dbraw/zinc/76/95/84/1068769584.db2.gz CXFPJUDZSDQCKX-UHFFFAOYSA-N 0 0 476.624 0.268 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000514835296 1068769595 /nfs/dbraw/zinc/76/95/95/1068769595.db2.gz DRMYYDVYSPEHNR-UHFFFAOYSA-N 0 0 460.506 0.302 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCN3CCOCC3)c2=O)c1 ZINC000514835325 1068769516 /nfs/dbraw/zinc/76/95/16/1068769516.db2.gz FHRXSRJGFYNWDU-UHFFFAOYSA-N 0 0 494.573 0.663 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000514835480 1068769553 /nfs/dbraw/zinc/76/95/53/1068769553.db2.gz HIFYAFBGBMKSQX-UHFFFAOYSA-N 0 0 458.971 0.701 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 ZINC000514835561 1068769391 /nfs/dbraw/zinc/76/93/91/1068769391.db2.gz JAKIRQQHQNXXNE-UHFFFAOYSA-N 0 0 471.539 0.178 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c(OC)c1 ZINC000514835614 1068769421 /nfs/dbraw/zinc/76/94/21/1068769421.db2.gz LGUPLDVFOOSBLN-UHFFFAOYSA-N 0 0 484.578 0.041 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000514835785 1068769599 /nfs/dbraw/zinc/76/95/99/1068769599.db2.gz NTHBWVODVVWELT-UHFFFAOYSA-N 0 0 476.549 0.940 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c(OC)c1 ZINC000514835799 1068769468 /nfs/dbraw/zinc/76/94/68/1068769468.db2.gz NZCIBQGTRAOTLF-UHFFFAOYSA-N 0 0 498.605 0.385 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000514835822 1068770120 /nfs/dbraw/zinc/77/01/20/1068770120.db2.gz PSZOAHVNLKYAGD-UHFFFAOYSA-N 0 0 460.506 0.325 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000514835837 1068770106 /nfs/dbraw/zinc/77/01/06/1068770106.db2.gz QNBZMGRYSBZTGV-UHFFFAOYSA-N 0 0 476.986 0.161 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000514835845 1068770260 /nfs/dbraw/zinc/77/02/60/1068770260.db2.gz RNTABJHNFGWGDE-UHFFFAOYSA-N 0 0 492.548 0.176 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000514835857 1068770047 /nfs/dbraw/zinc/77/00/47/1068770047.db2.gz SHPZRIVVECWWCI-UHFFFAOYSA-N 0 0 485.566 0.570 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCN3CCOCC3)c2=O)cc1 ZINC000514835872 1068769546 /nfs/dbraw/zinc/76/95/46/1068769546.db2.gz UMVZPYLSFQSNGD-UHFFFAOYSA-N 0 0 470.595 0.070 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1F ZINC000514835875 1068769561 /nfs/dbraw/zinc/76/95/61/1068769561.db2.gz UPXVVFRAHHMHGO-UHFFFAOYSA-N 0 0 454.458 0.934 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000514835876 1070070514 /nfs/dbraw/zinc/07/05/14/1070070514.db2.gz URGLJQBLGZQMSP-UHFFFAOYSA-N 0 0 498.605 0.455 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000514835895 1068770035 /nfs/dbraw/zinc/77/00/35/1068770035.db2.gz VQSYZIQNHQTYOL-UHFFFAOYSA-N 0 0 458.559 0.800 20 30 JCEDRN C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000514835921 1068770164 /nfs/dbraw/zinc/77/01/64/1068770164.db2.gz WZTMRBVKUXFWRP-GHTZIAJQSA-N 0 0 481.622 0.835 20 30 JCEDRN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000514835922 1068769864 /nfs/dbraw/zinc/76/98/64/1068769864.db2.gz WZTMRBVKUXFWRP-NQIIRXRSSA-N 0 0 481.622 0.835 20 30 JCEDRN C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000514835923 1068769591 /nfs/dbraw/zinc/76/95/91/1068769591.db2.gz WZTMRBVKUXFWRP-RXVVDRJESA-N 0 0 481.622 0.835 20 30 JCEDRN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000514835924 1068769873 /nfs/dbraw/zinc/76/98/73/1068769873.db2.gz WZTMRBVKUXFWRP-WIYYLYMNSA-N 0 0 481.622 0.835 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCN1CCOCC1 ZINC000514835946 1068769570 /nfs/dbraw/zinc/76/95/70/1068769570.db2.gz YFZLYNVETOGJOS-UHFFFAOYSA-N 0 0 470.620 0.769 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCN2CCOCC2)c1=O ZINC000514835953 1068769490 /nfs/dbraw/zinc/76/94/90/1068769490.db2.gz YYKSUFVGVSWQEN-UHFFFAOYSA-N 0 0 498.605 0.003 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000514846370 1068770269 /nfs/dbraw/zinc/77/02/69/1068770269.db2.gz FIJZTFHCDOABBK-UHFFFAOYSA-N 0 0 464.588 0.087 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)oc1C ZINC000514849777 1068770857 /nfs/dbraw/zinc/77/08/57/1068770857.db2.gz NJKLIHKLDQRCDN-HNNXBMFYSA-N 0 0 487.534 0.139 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)oc1C ZINC000514849778 1068770619 /nfs/dbraw/zinc/77/06/19/1068770619.db2.gz NJKLIHKLDQRCDN-OAHLLOKOSA-N 0 0 487.534 0.139 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000514879162 1068771592 /nfs/dbraw/zinc/77/15/92/1068771592.db2.gz IJQVCLYIUPUKDU-UHFFFAOYSA-N 0 0 467.503 0.919 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000514879177 1068771501 /nfs/dbraw/zinc/77/15/01/1068771501.db2.gz JMWUONREUZGVDE-UHFFFAOYSA-N 0 0 477.498 0.706 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000514879194 1068771580 /nfs/dbraw/zinc/77/15/80/1068771580.db2.gz MBPBWYPOZOYVIK-UHFFFAOYSA-N 0 0 476.514 0.427 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c(Cl)c1 ZINC000514879215 1068771425 /nfs/dbraw/zinc/77/14/25/1068771425.db2.gz OILJCTCIXXNDMW-UHFFFAOYSA-N 0 0 491.013 0.932 20 30 JCEDRN N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000514883314 1068773045 /nfs/dbraw/zinc/77/30/45/1068773045.db2.gz XAXPCXDZMRMKDF-UHFFFAOYSA-N 0 0 477.568 0.485 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000514906860 1068774123 /nfs/dbraw/zinc/77/41/23/1068774123.db2.gz APKLEJYDWKACDK-UHFFFAOYSA-N 0 0 465.539 0.706 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000514908748 1068774212 /nfs/dbraw/zinc/77/42/12/1068774212.db2.gz BCOVBFKTBHLZBP-UHFFFAOYSA-N 0 0 462.553 0.806 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000514909063 1068774732 /nfs/dbraw/zinc/77/47/32/1068774732.db2.gz VVLCZMGKZRDRAF-UHFFFAOYSA-N 0 0 462.553 0.806 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514913467 1068775965 /nfs/dbraw/zinc/77/59/65/1068775965.db2.gz OWXXZQYLUXXTMI-UHFFFAOYSA-N 0 0 474.564 0.933 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514913535 1068775789 /nfs/dbraw/zinc/77/57/89/1068775789.db2.gz VZJAPUCJXFZTCD-UHFFFAOYSA-N 0 0 450.611 0.790 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 ZINC000514913771 1068775842 /nfs/dbraw/zinc/77/58/42/1068775842.db2.gz MMFQVRNUQPNWGJ-UHFFFAOYSA-N 0 0 469.523 0.104 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514913781 1068776002 /nfs/dbraw/zinc/77/60/02/1068776002.db2.gz NGTXERIMUMVPQY-UHFFFAOYSA-N 0 0 490.626 0.753 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514914978 1068776545 /nfs/dbraw/zinc/77/65/45/1068776545.db2.gz WLKXQKBMOBYTGU-UHFFFAOYSA-N 0 0 486.663 0.923 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514915011 1068776407 /nfs/dbraw/zinc/77/64/07/1068776407.db2.gz MUMFKJCKKUKDOD-UHFFFAOYSA-N 0 0 473.624 0.009 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C1CC1 ZINC000514915113 1068776481 /nfs/dbraw/zinc/77/64/81/1068776481.db2.gz NYDHQMRPHXFZEP-UHFFFAOYSA-N 0 0 471.535 0.680 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514915143 1068776492 /nfs/dbraw/zinc/77/64/92/1068776492.db2.gz YVWQXZVWSXFSEZ-UHFFFAOYSA-N 0 0 474.564 0.933 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C1CC1 ZINC000514915340 1068776501 /nfs/dbraw/zinc/77/65/01/1068776501.db2.gz VOCSDKQVSKEFES-UHFFFAOYSA-N 0 0 476.961 0.989 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c(Cl)c1 ZINC000514915384 1068776366 /nfs/dbraw/zinc/77/63/66/1068776366.db2.gz ZOXIPNUYZUOQNZ-UHFFFAOYSA-N 0 0 488.997 0.858 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCN1CCOCC1 ZINC000514916265 1068776536 /nfs/dbraw/zinc/77/65/36/1068776536.db2.gz ASMJZZNXUIKOHN-UHFFFAOYSA-N 0 0 491.639 0.053 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCN2CCOCC2)c1=O ZINC000514916306 1068776378 /nfs/dbraw/zinc/77/63/78/1068776378.db2.gz FRYDMYHBBPDKPH-UHFFFAOYSA-N 0 0 484.622 0.916 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000514916313 1068776402 /nfs/dbraw/zinc/77/64/02/1068776402.db2.gz GLDVHULOHMMYCL-UHFFFAOYSA-N 0 0 462.522 0.549 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000514916314 1068776393 /nfs/dbraw/zinc/77/63/93/1068776393.db2.gz GOTRFLLOHIMPJN-UHFFFAOYSA-N 0 0 490.651 0.738 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 ZINC000514916392 1068776553 /nfs/dbraw/zinc/77/65/53/1068776553.db2.gz MKJUUBAPVJIWBV-GOSISDBHSA-N 0 0 456.568 0.918 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 ZINC000514916393 1068776589 /nfs/dbraw/zinc/77/65/89/1068776589.db2.gz MKJUUBAPVJIWBV-SFHVURJKSA-N 0 0 456.568 0.918 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000514916442 1068776598 /nfs/dbraw/zinc/77/65/98/1068776598.db2.gz QWTOAGIZRRRIQH-UHFFFAOYSA-N 0 0 458.609 0.865 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000514916505 1070071236 /nfs/dbraw/zinc/07/12/36/1070071236.db2.gz WCWHOXGOVFTHSB-HNNXBMFYSA-N 0 0 469.519 0.631 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000514916506 1070071325 /nfs/dbraw/zinc/07/13/25/1070071325.db2.gz WCWHOXGOVFTHSB-OAHLLOKOSA-N 0 0 469.519 0.631 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000514916540 1068776445 /nfs/dbraw/zinc/77/64/45/1068776445.db2.gz ZQARBSMWLVGKQH-UHFFFAOYSA-N 0 0 466.607 0.973 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000514916549 1068776523 /nfs/dbraw/zinc/77/65/23/1068776523.db2.gz ZWQYIBCJJVIQSH-IBGZPJMESA-N 0 0 484.622 0.513 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000514916550 1068776577 /nfs/dbraw/zinc/77/65/77/1068776577.db2.gz ZWQYIBCJJVIQSH-LJQANCHMSA-N 0 0 484.622 0.513 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000514916943 1068774607 /nfs/dbraw/zinc/77/46/07/1068774607.db2.gz ARMCPIKDBCMFHE-UHFFFAOYSA-N 0 0 470.570 0.943 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cc1C ZINC000514916989 1068774771 /nfs/dbraw/zinc/77/47/71/1068774771.db2.gz GGZFQVVYZLJPCU-UHFFFAOYSA-N 0 0 484.622 0.834 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc2c1OCCO2 ZINC000514917062 1068774651 /nfs/dbraw/zinc/77/46/51/1068774651.db2.gz JFJZYOHWUBHBPR-INIZCTEOSA-N 0 0 485.562 0.896 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc2c1OCCO2 ZINC000514917063 1068774761 /nfs/dbraw/zinc/77/47/61/1068774761.db2.gz JFJZYOHWUBHBPR-MRXNPFEDSA-N 0 0 485.562 0.896 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C[C@@H]1CCCO1 ZINC000514917066 1068774714 /nfs/dbraw/zinc/77/47/14/1068774714.db2.gz JGCNECXAVXGHPW-AWEZNQCLSA-N 0 0 459.524 0.806 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C[C@H]1CCCO1 ZINC000514917067 1068774689 /nfs/dbraw/zinc/77/46/89/1068774689.db2.gz JGCNECXAVXGHPW-CQSZACIVSA-N 0 0 459.524 0.806 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@@H]1CCCO1 ZINC000514917924 1068774622 /nfs/dbraw/zinc/77/46/22/1068774622.db2.gz RNHJXXZVJLNICB-INIZCTEOSA-N 0 0 462.597 0.900 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@H]1CCCO1 ZINC000514917927 1068774570 /nfs/dbraw/zinc/77/45/70/1068774570.db2.gz RNHJXXZVJLNICB-MRXNPFEDSA-N 0 0 462.597 0.900 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000514918171 1068775251 /nfs/dbraw/zinc/77/52/51/1068775251.db2.gz TUFCUAOUBWSVPG-PBHICJAKSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 ZINC000514918172 1068775359 /nfs/dbraw/zinc/77/53/59/1068775359.db2.gz TUFCUAOUBWSVPG-RHSMWYFYSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 ZINC000514918173 1068775368 /nfs/dbraw/zinc/77/53/68/1068775368.db2.gz TUFCUAOUBWSVPG-WMLDXEAASA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000514918174 1068775261 /nfs/dbraw/zinc/77/52/61/1068775261.db2.gz TUFCUAOUBWSVPG-YOEHRIQHSA-N 0 0 472.523 0.651 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1F ZINC000514918220 1068775172 /nfs/dbraw/zinc/77/51/72/1068775172.db2.gz WRDBZTQVBFUOKJ-UHFFFAOYSA-N 0 0 488.585 0.665 20 30 JCEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C#N ZINC000514918249 1068775143 /nfs/dbraw/zinc/77/51/43/1068775143.db2.gz YOUIVKHTIQLZRC-UHFFFAOYSA-N 0 0 496.568 0.950 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000514918392 1068775416 /nfs/dbraw/zinc/77/54/16/1068775416.db2.gz DCMGRKJGFNAFGK-UHFFFAOYSA-N 0 0 459.499 0.792 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCCC(=O)OC ZINC000514918545 1068774589 /nfs/dbraw/zinc/77/45/89/1068774589.db2.gz OFQBOKIRPBPHBA-UHFFFAOYSA-N 0 0 458.496 0.800 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(F)c(Br)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514918898 1068774633 /nfs/dbraw/zinc/77/46/33/1068774633.db2.gz GSTHJRJZECKVBP-UHFFFAOYSA-N 0 0 495.374 0.300 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514919531 1068775126 /nfs/dbraw/zinc/77/51/26/1068775126.db2.gz GOJLTLCYXWCUKL-UHFFFAOYSA-N 0 0 491.639 0.053 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514919538 1068775296 /nfs/dbraw/zinc/77/52/96/1068775296.db2.gz HKEWDSJWCNVDBR-UHFFFAOYSA-N 0 0 472.542 0.195 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCCC(=O)OC ZINC000514919784 1068775282 /nfs/dbraw/zinc/77/52/82/1068775282.db2.gz UMDWHFWQHLEIRM-UHFFFAOYSA-N 0 0 469.972 0.844 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000514919840 1068775308 /nfs/dbraw/zinc/77/53/08/1068775308.db2.gz YMRMDGLGEDQVTM-UHFFFAOYSA-N 0 0 482.562 0.500 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000514919849 1068775187 /nfs/dbraw/zinc/77/51/87/1068775187.db2.gz ZHNBCOBGTCDALK-UHFFFAOYSA-N 0 0 467.016 0.986 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C1CC1 ZINC000514920839 1068775914 /nfs/dbraw/zinc/77/59/14/1068775914.db2.gz RBDXOKVWBQAJFJ-UHFFFAOYSA-N 0 0 458.971 0.850 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 ZINC000514923419 1068775992 /nfs/dbraw/zinc/77/59/92/1068775992.db2.gz KTJBMAAQSFLRCB-UHFFFAOYSA-N 0 0 457.512 0.746 20 30 JCEDRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3c(C#N)c(=O)n(C)c(=O)n3C)n2C)c1 ZINC000514926249 1068776973 /nfs/dbraw/zinc/77/69/73/1068776973.db2.gz NZVNVAYUARARQS-UHFFFAOYSA-N 0 0 489.583 0.933 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCCSC ZINC000514941513 1068777776 /nfs/dbraw/zinc/77/77/76/1068777776.db2.gz CQQDADDHZXSXGF-UHFFFAOYSA-N 0 0 458.544 0.632 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514941761 1068777646 /nfs/dbraw/zinc/77/76/46/1068777646.db2.gz WNCMZBKUVKSVJD-UHFFFAOYSA-N 0 0 482.541 0.792 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000514943045 1068777059 /nfs/dbraw/zinc/77/70/59/1068777059.db2.gz GJJAIMNSJYVMRQ-UHFFFAOYSA-N 0 0 470.530 0.695 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000514943086 1068777199 /nfs/dbraw/zinc/77/71/99/1068777199.db2.gz NZTWKDUJJLQNCA-UHFFFAOYSA-N 0 0 482.541 0.838 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000514943185 1068777145 /nfs/dbraw/zinc/77/71/45/1068777145.db2.gz GMDBYSVTFXKJGD-UHFFFAOYSA-N 0 0 496.524 0.364 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000514979837 1068779030 /nfs/dbraw/zinc/77/90/30/1068779030.db2.gz UBPBIIKYHDHYOP-UHFFFAOYSA-N 0 0 472.523 0.998 20 30 JCEDRN CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000515009706 1068780617 /nfs/dbraw/zinc/78/06/17/1068780617.db2.gz WDPMVADGWKDKQZ-UHFFFAOYSA-N 0 0 462.553 0.890 20 30 JCEDRN CN(CC(=O)Nc1ccccc1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000515035752 1068781338 /nfs/dbraw/zinc/78/13/38/1068781338.db2.gz JGPUWMMBZFXALE-UHFFFAOYSA-N 0 0 455.540 0.962 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)c1cccnc1 ZINC000515070389 1068782589 /nfs/dbraw/zinc/78/25/89/1068782589.db2.gz FJPQWKXXDDBMLT-UHFFFAOYSA-N 0 0 463.541 0.107 20 30 JCEDRN CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000515074897 1068781883 /nfs/dbraw/zinc/78/18/83/1068781883.db2.gz KZNKACOWCZCDKH-UHFFFAOYSA-N 0 0 476.580 0.584 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(F)cc1 ZINC000515098082 1068782400 /nfs/dbraw/zinc/78/24/00/1068782400.db2.gz DLCOCRWYHDBXQD-UHFFFAOYSA-N 0 0 485.493 0.992 20 30 JCEDRN Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000515105394 1068783702 /nfs/dbraw/zinc/78/37/02/1068783702.db2.gz RPNRFXZEJAZLFA-KRWDZBQOSA-N 0 0 492.583 0.961 20 30 JCEDRN Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000515105395 1068783835 /nfs/dbraw/zinc/78/38/35/1068783835.db2.gz RPNRFXZEJAZLFA-QGZVFWFLSA-N 0 0 492.583 0.961 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CCN1CCOCC1 ZINC000515165355 1068788413 /nfs/dbraw/zinc/78/84/13/1068788413.db2.gz MUWWRQVOWZRZSQ-UHFFFAOYSA-N 0 0 467.378 0.798 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1=O ZINC000515175052 1068790265 /nfs/dbraw/zinc/79/02/65/1068790265.db2.gz GPXXHBLWXSMNLY-UHFFFAOYSA-N 0 0 457.443 0.668 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000515209150 1068792095 /nfs/dbraw/zinc/79/20/95/1068792095.db2.gz ISBODQOWMIZOCL-UHFFFAOYSA-N 0 0 478.307 0.456 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000515214019 1068792205 /nfs/dbraw/zinc/79/22/05/1068792205.db2.gz NMWACKHAFKOOMS-UHFFFAOYSA-N 0 0 477.568 0.488 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000515221808 1068792729 /nfs/dbraw/zinc/79/27/29/1068792729.db2.gz PESVGPDSXKELHF-UHFFFAOYSA-N 0 0 485.522 0.999 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 ZINC000515243017 1068793444 /nfs/dbraw/zinc/79/34/44/1068793444.db2.gz PMZVLEKZJGMMLL-UHFFFAOYSA-N 0 0 460.495 0.226 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000515263297 1068794982 /nfs/dbraw/zinc/79/49/82/1068794982.db2.gz YGCAIVOJKRNNEZ-UHFFFAOYSA-N 0 0 466.541 0.395 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000515361041 1068806870 /nfs/dbraw/zinc/80/68/70/1068806870.db2.gz JPTWUUQHIUVCIW-HDICACEKSA-N 0 0 458.540 0.956 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000515361042 1068807119 /nfs/dbraw/zinc/80/71/19/1068807119.db2.gz JPTWUUQHIUVCIW-ROUUACIJSA-N 0 0 458.540 0.956 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000515395467 1068809139 /nfs/dbraw/zinc/80/91/39/1068809139.db2.gz RBKWYHXGFVZNQO-UHFFFAOYSA-N 0 0 465.576 0.501 20 30 JCEDRN COc1ccc(NC(=O)C(=O)NCc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000515400823 1068809843 /nfs/dbraw/zinc/80/98/43/1068809843.db2.gz OQTLONQYZROYJN-UHFFFAOYSA-N 0 0 458.496 0.843 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000515415424 1068810586 /nfs/dbraw/zinc/81/05/86/1068810586.db2.gz PPNZFCKALZUFSO-UHFFFAOYSA-N 0 0 499.549 0.928 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)oc1C ZINC000515451886 1068812710 /nfs/dbraw/zinc/81/27/10/1068812710.db2.gz SFOABQZROLBTPR-UHFFFAOYSA-N 0 0 473.551 0.658 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c1OC ZINC000515452046 1068812771 /nfs/dbraw/zinc/81/27/71/1068812771.db2.gz QMTQKLUNAXZYAF-UHFFFAOYSA-N 0 0 471.579 0.987 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000515452071 1068812951 /nfs/dbraw/zinc/81/29/51/1068812951.db2.gz SRSCVYQLSMKHNZ-UHFFFAOYSA-N 0 0 496.568 0.690 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCN1CCOCC1 ZINC000515452272 1068813365 /nfs/dbraw/zinc/81/33/65/1068813365.db2.gz VKIRGYPPDKWPMQ-UHFFFAOYSA-N 0 0 456.524 0.878 20 30 JCEDRN CN(CC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000515486954 1068815122 /nfs/dbraw/zinc/81/51/22/1068815122.db2.gz SCUNBDWJDAEXRT-UHFFFAOYSA-N 0 0 481.578 0.912 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(CC(=O)NCC)CC3)n2c2ccccc2c1=O ZINC000515503105 1068817322 /nfs/dbraw/zinc/81/73/22/1068817322.db2.gz VADDTBQILGZYEQ-UHFFFAOYSA-N 0 0 469.571 0.603 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000515506158 1068817622 /nfs/dbraw/zinc/81/76/22/1068817622.db2.gz QAYWAMWVQBPBKK-UHFFFAOYSA-N 0 0 454.552 0.716 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000515512818 1068815740 /nfs/dbraw/zinc/81/57/40/1068815740.db2.gz PSNKUPOFZZGHLH-UHFFFAOYSA-N 0 0 452.577 0.542 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 ZINC000515522537 1068819894 /nfs/dbraw/zinc/81/98/94/1068819894.db2.gz FYJCCIIYRJHMEM-UHFFFAOYSA-N 0 0 456.524 0.653 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1=O ZINC000515560496 1068825601 /nfs/dbraw/zinc/82/56/01/1068825601.db2.gz PDNXDTWSDXVYRT-UHFFFAOYSA-N 0 0 467.526 0.273 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1=O ZINC000515561135 1068825544 /nfs/dbraw/zinc/82/55/44/1068825544.db2.gz ZIBCFMPAVZVJKM-UHFFFAOYSA-N 0 0 450.499 0.663 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000515578864 1068828029 /nfs/dbraw/zinc/82/80/29/1068828029.db2.gz OFMDLUPBGLZJIT-UHFFFAOYSA-N 0 0 451.486 0.625 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000515585422 1068826291 /nfs/dbraw/zinc/82/62/91/1068826291.db2.gz XQAWKQBFIALXOA-UHFFFAOYSA-N 0 0 454.574 0.597 20 30 JCEDRN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000515586061 1068826579 /nfs/dbraw/zinc/82/65/79/1068826579.db2.gz GQVMQUXSXAUWSZ-UHFFFAOYSA-N 0 0 478.552 0.838 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000515586115 1068826543 /nfs/dbraw/zinc/82/65/43/1068826543.db2.gz MMPUTMIOXLZZEQ-UHFFFAOYSA-N 0 0 462.553 0.712 20 30 JCEDRN COCCN(CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000515586253 1068826307 /nfs/dbraw/zinc/82/63/07/1068826307.db2.gz ZTZBYPGXZBBELN-GOSISDBHSA-N 0 0 471.601 0.867 20 30 JCEDRN COCCN(CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000515586256 1068825904 /nfs/dbraw/zinc/82/59/04/1068825904.db2.gz ZTZBYPGXZBBELN-SFHVURJKSA-N 0 0 471.601 0.867 20 30 JCEDRN CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000515587535 1068826792 /nfs/dbraw/zinc/82/67/92/1068826792.db2.gz MRIHLFJDCMKYFZ-UHFFFAOYSA-N 0 0 456.524 0.968 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccccc3I)CC2)n(C)c1=O ZINC000515591182 1068830338 /nfs/dbraw/zinc/83/03/38/1068830338.db2.gz QOFNGNYXROWNPW-UHFFFAOYSA-N 0 0 479.278 0.523 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000515595588 1068828953 /nfs/dbraw/zinc/82/89/53/1068828953.db2.gz OXQSTLMVPLBGIY-UHFFFAOYSA-N 0 0 465.474 0.380 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 ZINC000515622273 1068830905 /nfs/dbraw/zinc/83/09/05/1068830905.db2.gz LIPASOVXDOTCOV-UHFFFAOYSA-N 0 0 468.579 0.595 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515622371 1068830777 /nfs/dbraw/zinc/83/07/77/1068830777.db2.gz LRTNVXMCTIAYRS-UHFFFAOYSA-N 0 0 480.593 0.994 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 ZINC000515622717 1068831127 /nfs/dbraw/zinc/83/11/27/1068831127.db2.gz ZZUQCHFTJQYZKV-UHFFFAOYSA-N 0 0 498.605 0.221 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C1CC1 ZINC000515623767 1068832397 /nfs/dbraw/zinc/83/23/97/1068832397.db2.gz CVRQLCSXRMNVHE-UHFFFAOYSA-N 0 0 453.520 0.768 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C1CC1 ZINC000515624030 1068830751 /nfs/dbraw/zinc/83/07/51/1068830751.db2.gz HXUJUKJEWKUXSX-UHFFFAOYSA-N 0 0 496.589 0.357 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1 ZINC000515624412 1068831264 /nfs/dbraw/zinc/83/12/64/1068831264.db2.gz AKYIJAVDDNRVKQ-UHFFFAOYSA-N 0 0 455.536 0.632 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515626198 1068832530 /nfs/dbraw/zinc/83/25/30/1068832530.db2.gz VVYUOKADAPNWHC-UHFFFAOYSA-N 0 0 487.603 0.796 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C1CC1 ZINC000515628118 1068832012 /nfs/dbraw/zinc/83/20/12/1068832012.db2.gz RJUCGLWFSCBVNQ-UHFFFAOYSA-N 0 0 475.552 0.166 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)c1 ZINC000515635282 1068832853 /nfs/dbraw/zinc/83/28/53/1068832853.db2.gz CWKPJOVBIICWOI-UHFFFAOYSA-N 0 0 467.525 0.855 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)c1 ZINC000515648958 1068833355 /nfs/dbraw/zinc/83/33/55/1068833355.db2.gz BLEYCZFJEKKUKR-GOSISDBHSA-N 0 0 457.552 0.753 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000515648959 1068833108 /nfs/dbraw/zinc/83/31/08/1068833108.db2.gz BLEYCZFJEKKUKR-SFHVURJKSA-N 0 0 457.552 0.753 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000515649010 1068833187 /nfs/dbraw/zinc/83/31/87/1068833187.db2.gz GDQFWUKSAVVWDF-INIZCTEOSA-N 0 0 453.520 0.642 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000515649011 1068833393 /nfs/dbraw/zinc/83/33/93/1068833393.db2.gz GDQFWUKSAVVWDF-MRXNPFEDSA-N 0 0 453.520 0.642 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000515649023 1068833305 /nfs/dbraw/zinc/83/33/05/1068833305.db2.gz GYBCZCDOSHQBTA-INIZCTEOSA-N 0 0 471.535 0.126 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000515649024 1068833093 /nfs/dbraw/zinc/83/30/93/1068833093.db2.gz GYBCZCDOSHQBTA-MRXNPFEDSA-N 0 0 471.535 0.126 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc(OCCOC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515649045 1068833442 /nfs/dbraw/zinc/83/34/42/1068833442.db2.gz ILLYECALJCQFJS-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OCCOC)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000515649413 1068833134 /nfs/dbraw/zinc/83/31/34/1068833134.db2.gz KYUZEDYBMLDEDG-UHFFFAOYSA-N 0 0 482.606 0.788 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000515650717 1068833704 /nfs/dbraw/zinc/83/37/04/1068833704.db2.gz LKYGJACSWNLANT-KRWDZBQOSA-N 0 0 485.562 0.863 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000515650718 1068833931 /nfs/dbraw/zinc/83/39/31/1068833931.db2.gz LKYGJACSWNLANT-QGZVFWFLSA-N 0 0 485.562 0.863 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000515651492 1068834013 /nfs/dbraw/zinc/83/40/13/1068834013.db2.gz RAMVJJGANKODMN-UHFFFAOYSA-N 0 0 498.605 0.288 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000515652472 1068833868 /nfs/dbraw/zinc/83/38/68/1068833868.db2.gz OIFQUEVNQQMZOR-AWEZNQCLSA-N 0 0 478.552 0.714 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000515652473 1068833739 /nfs/dbraw/zinc/83/37/39/1068833739.db2.gz OIFQUEVNQQMZOR-CQSZACIVSA-N 0 0 478.552 0.714 20 30 JCEDRN C=CCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000515654833 1068832431 /nfs/dbraw/zinc/83/24/31/1068832431.db2.gz CIGHUPHIVXDKHF-UHFFFAOYSA-N 0 0 475.552 0.017 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000515655300 1068832549 /nfs/dbraw/zinc/83/25/49/1068832549.db2.gz RQCCDYXSDOWJPL-UHFFFAOYSA-N 0 0 450.564 0.698 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000515656022 1068832413 /nfs/dbraw/zinc/83/24/13/1068832413.db2.gz BMCPFIIBJSHIRH-UHFFFAOYSA-N 0 0 468.579 0.206 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1ccccc1 ZINC000515658734 1068833283 /nfs/dbraw/zinc/83/32/83/1068833283.db2.gz OQERZZGCMOREIP-CVEARBPZSA-N 0 0 451.552 0.907 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1ccccc1 ZINC000515658735 1068833425 /nfs/dbraw/zinc/83/34/25/1068833425.db2.gz OQERZZGCMOREIP-HOTGVXAUSA-N 0 0 451.552 0.907 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1ccccc1 ZINC000515658736 1068833120 /nfs/dbraw/zinc/83/31/20/1068833120.db2.gz OQERZZGCMOREIP-HZPDHXFCSA-N 0 0 451.552 0.907 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1ccccc1 ZINC000515658737 1068833166 /nfs/dbraw/zinc/83/31/66/1068833166.db2.gz OQERZZGCMOREIP-JKSUJKDBSA-N 0 0 451.552 0.907 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N ZINC000515661070 1068833718 /nfs/dbraw/zinc/83/37/18/1068833718.db2.gz CCSMTCCEURFKEL-UHFFFAOYSA-N 0 0 485.569 0.722 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N ZINC000515662833 1068833766 /nfs/dbraw/zinc/83/37/66/1068833766.db2.gz LVBKHJDEQLLUEW-UHFFFAOYSA-N 0 0 486.557 0.117 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccccc1C#N ZINC000515662889 1068833691 /nfs/dbraw/zinc/83/36/91/1068833691.db2.gz OCBZPOLJIAONCZ-UHFFFAOYSA-N 0 0 492.513 0.724 20 30 JCEDRN C[C@@H](c1ccccc1)n1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000515662923 1068833998 /nfs/dbraw/zinc/83/39/98/1068833998.db2.gz QDQMZKYKWQBCOU-IBGZPJMESA-N 0 0 489.601 0.866 20 30 JCEDRN C[C@H](c1ccccc1)n1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000515662924 1068833641 /nfs/dbraw/zinc/83/36/41/1068833641.db2.gz QDQMZKYKWQBCOU-LJQANCHMSA-N 0 0 489.601 0.866 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1C#N ZINC000515664883 1068834290 /nfs/dbraw/zinc/83/42/90/1068834290.db2.gz PEGMBVFZXAYJFX-UHFFFAOYSA-N 0 0 486.509 0.861 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N ZINC000515665087 1068834454 /nfs/dbraw/zinc/83/44/54/1068834454.db2.gz FVZBNIRFTPFJDQ-UHFFFAOYSA-N 0 0 491.598 0.784 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)c1 ZINC000515683240 1068834247 /nfs/dbraw/zinc/83/42/47/1068834247.db2.gz UMIZITBBAKVOCF-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCN1CCOCC1 ZINC000515683585 1068834410 /nfs/dbraw/zinc/83/44/10/1068834410.db2.gz GCOZGNBEZDACFY-UHFFFAOYSA-N 0 0 482.606 0.596 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCN1CCOCC1 ZINC000515683627 1068834558 /nfs/dbraw/zinc/83/45/58/1068834558.db2.gz IGOXLOADASYTMX-UHFFFAOYSA-N 0 0 468.579 0.206 20 30 JCEDRN Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000515683732 1068834530 /nfs/dbraw/zinc/83/45/30/1068834530.db2.gz ISFFKWRQRUIESF-UHFFFAOYSA-N 0 0 469.592 0.731 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CCN1CCOCC1 ZINC000515683965 1068834613 /nfs/dbraw/zinc/83/46/13/1068834613.db2.gz QPKPDCNZFLDIMJ-UHFFFAOYSA-N 0 0 482.606 0.812 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000515684817 1068834939 /nfs/dbraw/zinc/83/49/39/1068834939.db2.gz JMIHQLVSQDNQSR-UHFFFAOYSA-N 0 0 461.499 0.854 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1 ZINC000515684853 1068834379 /nfs/dbraw/zinc/83/43/79/1068834379.db2.gz LYTLBJWQLWJPBO-UHFFFAOYSA-N 0 0 468.579 0.422 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515684884 1068834658 /nfs/dbraw/zinc/83/46/58/1068834658.db2.gz NEJHKJYLIWSKGD-UHFFFAOYSA-N 0 0 483.546 0.160 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCC(=O)OC ZINC000515684914 1068834428 /nfs/dbraw/zinc/83/44/28/1068834428.db2.gz PGQPEAOYLUKGAH-UHFFFAOYSA-N 0 0 453.520 0.603 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCN1CCOCC1 ZINC000515684916 1068834638 /nfs/dbraw/zinc/83/46/38/1068834638.db2.gz PJBFVKRPPPWQPD-UHFFFAOYSA-N 0 0 496.589 0.533 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)c1ccc2c(c1)OCO2 ZINC000515685286 1068834549 /nfs/dbraw/zinc/83/45/49/1068834549.db2.gz KLQHMJWHWNDXRD-UHFFFAOYSA-N 0 0 480.502 0.711 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000515685624 1068834268 /nfs/dbraw/zinc/83/42/68/1068834268.db2.gz XSCROSXNLDAYFM-UHFFFAOYSA-N 0 0 482.606 0.596 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCN1CCOCC1 ZINC000515685674 1068834975 /nfs/dbraw/zinc/83/49/75/1068834975.db2.gz KLXOKFWZKCNRON-UHFFFAOYSA-N 0 0 498.605 0.288 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000515685719 1068835035 /nfs/dbraw/zinc/83/50/35/1068835035.db2.gz LYHQCBPCCIBQTQ-UHFFFAOYSA-N 0 0 484.622 0.916 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccccc1 ZINC000515685905 1068834896 /nfs/dbraw/zinc/83/48/96/1068834896.db2.gz QOOOFXKTFWHKJB-UHFFFAOYSA-N 0 0 463.515 0.936 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1 ZINC000515687623 1068835187 /nfs/dbraw/zinc/83/51/87/1068835187.db2.gz WPDUUUJHCRWZKP-UHFFFAOYSA-N 0 0 498.605 0.049 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000515688066 1068834958 /nfs/dbraw/zinc/83/49/58/1068834958.db2.gz YXATVINIQUMQPG-UHFFFAOYSA-N 0 0 490.541 0.752 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCN1CCOCC1 ZINC000515688142 1068835049 /nfs/dbraw/zinc/83/50/49/1068835049.db2.gz RPTUBYIXERNONV-UHFFFAOYSA-N 0 0 469.563 0.741 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000515688226 1068834984 /nfs/dbraw/zinc/83/49/84/1068834984.db2.gz XODFHJFRPYMKDI-UHFFFAOYSA-N 0 0 456.524 0.878 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000515688268 1068835073 /nfs/dbraw/zinc/83/50/73/1068835073.db2.gz ZTQNGOCMLUFMKE-UHFFFAOYSA-N 0 0 468.579 0.929 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 ZINC000515689225 1068835061 /nfs/dbraw/zinc/83/50/61/1068835061.db2.gz MDTFXSZHHWYMJN-UHFFFAOYSA-N 0 0 456.524 0.878 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000515689310 1068834918 /nfs/dbraw/zinc/83/49/18/1068834918.db2.gz SESFTNOZOSSQAS-UHFFFAOYSA-N 0 0 477.568 0.239 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCN1CCOCC1 ZINC000515689379 1068834871 /nfs/dbraw/zinc/83/48/71/1068834871.db2.gz DRNHYMZLURFHPM-UHFFFAOYSA-N 0 0 496.589 0.209 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCN3CCOCC3)c2=O)c1 ZINC000515689410 1068835022 /nfs/dbraw/zinc/83/50/22/1068835022.db2.gz HDUXEJPXGXWCTO-UHFFFAOYSA-N 0 0 456.568 0.280 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c(OC)c1 ZINC000515689653 1068834850 /nfs/dbraw/zinc/83/48/50/1068834850.db2.gz DXQXZQZLHYSTRK-UHFFFAOYSA-N 0 0 471.579 0.987 20 30 JCEDRN CCn1c(=O)c(=Cc2cccc(OCCOC)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000515690274 1068835087 /nfs/dbraw/zinc/83/50/87/1068835087.db2.gz LDRMYUIXKRMNKV-UHFFFAOYSA-N 0 0 470.595 0.622 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CC(C)C ZINC000515690980 1068835113 /nfs/dbraw/zinc/83/51/13/1068835113.db2.gz JSTVWSSPJYKXEZ-UHFFFAOYSA-N 0 0 457.552 0.993 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515692893 1068835571 /nfs/dbraw/zinc/83/55/71/1068835571.db2.gz BKWSQEJOCJFPOV-UHFFFAOYSA-N 0 0 453.520 0.619 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCO4)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000515697294 1068837449 /nfs/dbraw/zinc/83/74/49/1068837449.db2.gz ICSAPVCFXSKYQE-FQEVSTJZSA-N 0 0 494.617 0.691 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCO4)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000515697295 1068837643 /nfs/dbraw/zinc/83/76/43/1068837643.db2.gz ICSAPVCFXSKYQE-HXUWFJFHSA-N 0 0 494.617 0.691 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515699201 1068837144 /nfs/dbraw/zinc/83/71/44/1068837144.db2.gz QWDNQLBBZBNWQD-UHFFFAOYSA-N 0 0 478.552 0.668 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000515713702 1068838242 /nfs/dbraw/zinc/83/82/42/1068838242.db2.gz PTPIIYKWCFSUHJ-UHFFFAOYSA-N 0 0 483.593 0.965 20 30 JCEDRN C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000515723484 1068838844 /nfs/dbraw/zinc/83/88/44/1068838844.db2.gz DFYTUXGRFITDNF-KPZWWZAWSA-N 0 0 457.530 0.114 20 30 JCEDRN C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000515723485 1068838512 /nfs/dbraw/zinc/83/85/12/1068838512.db2.gz DFYTUXGRFITDNF-KZULUSFZSA-N 0 0 457.530 0.114 20 30 JCEDRN C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000515723486 1068838683 /nfs/dbraw/zinc/83/86/83/1068838683.db2.gz DFYTUXGRFITDNF-SGTLLEGYSA-N 0 0 457.530 0.114 20 30 JCEDRN C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000515723487 1068838626 /nfs/dbraw/zinc/83/86/26/1068838626.db2.gz DFYTUXGRFITDNF-XIKOKIGWSA-N 0 0 457.530 0.114 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1Cl ZINC000515737477 1068841967 /nfs/dbraw/zinc/84/19/67/1068841967.db2.gz MRMUNGNPWYXUGO-UHFFFAOYSA-N 0 0 458.905 0.599 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000515741128 1068839199 /nfs/dbraw/zinc/83/91/99/1068839199.db2.gz KUWGCLCUOOKEGD-UHFFFAOYSA-N 0 0 460.434 0.269 20 30 JCEDRN Cc1nc(SCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C#N)c(C)c1C ZINC000515770883 1068844708 /nfs/dbraw/zinc/84/47/08/1068844708.db2.gz DQRYQHPNETYAPS-UHFFFAOYSA-N 0 0 453.590 0.692 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000515814288 1068849683 /nfs/dbraw/zinc/84/96/83/1068849683.db2.gz ZBWLPXFEYHAFPW-UHFFFAOYSA-N 0 0 478.552 0.524 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000515877828 1068853547 /nfs/dbraw/zinc/85/35/47/1068853547.db2.gz ZWMIBNIPPQACAQ-UHFFFAOYSA-N 0 0 473.393 0.516 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000515903508 1068863045 /nfs/dbraw/zinc/86/30/45/1068863045.db2.gz PXRDDTILXQPWSD-UHFFFAOYSA-N 0 0 484.586 0.186 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000515906900 1068863647 /nfs/dbraw/zinc/86/36/47/1068863647.db2.gz QFIHCZHXZAGFPE-UHFFFAOYSA-N 0 0 484.586 0.186 20 30 JCEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000515918271 1069599087 /nfs/dbraw/zinc/59/90/87/1069599087.db2.gz VXTHLOFBRXZULE-IBGZPJMESA-N 0 0 465.514 0.719 20 30 JCEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000515918272 1068866051 /nfs/dbraw/zinc/86/60/51/1068866051.db2.gz VXTHLOFBRXZULE-LJQANCHMSA-N 0 0 465.514 0.719 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C ZINC000515922801 1068864224 /nfs/dbraw/zinc/86/42/24/1068864224.db2.gz JIWWRBROSPNKBK-UHFFFAOYSA-N 0 0 463.581 0.235 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C ZINC000515922935 1068864324 /nfs/dbraw/zinc/86/43/24/1068864324.db2.gz NVZJHWZUWNMFPA-UHFFFAOYSA-N 0 0 477.608 0.625 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)c1ccc2c(c1)OCO2 ZINC000515922944 1068864356 /nfs/dbraw/zinc/86/43/56/1068864356.db2.gz OBWNKRWUTPYCPD-UHFFFAOYSA-N 0 0 468.512 0.965 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCCOCC ZINC000515923183 1068864624 /nfs/dbraw/zinc/86/46/24/1068864624.db2.gz XUAJKBJQLYULHV-UHFFFAOYSA-N 0 0 477.608 0.769 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1C#N ZINC000515923185 1068864968 /nfs/dbraw/zinc/86/49/68/1068864968.db2.gz YKJIHEJGXDAEHA-UHFFFAOYSA-N 0 0 490.566 0.979 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C ZINC000515923241 1068864136 /nfs/dbraw/zinc/86/41/36/1068864136.db2.gz BHVHNHXISFKTJX-HNNXBMFYSA-N 0 0 477.608 0.623 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C ZINC000515923242 1068864278 /nfs/dbraw/zinc/86/42/78/1068864278.db2.gz BHVHNHXISFKTJX-OAHLLOKOSA-N 0 0 477.608 0.623 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000515923314 1068864207 /nfs/dbraw/zinc/86/42/07/1068864207.db2.gz FOMHWLSQMIHXIA-UHFFFAOYSA-N 0 0 463.581 0.379 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000515923637 1068864367 /nfs/dbraw/zinc/86/43/67/1068864367.db2.gz WJFBCUUKJTVDGO-INIZCTEOSA-N 0 0 475.592 0.522 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000515923638 1068864346 /nfs/dbraw/zinc/86/43/46/1068864346.db2.gz WJFBCUUKJTVDGO-MRXNPFEDSA-N 0 0 475.592 0.522 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000515923678 1068864343 /nfs/dbraw/zinc/86/43/43/1068864343.db2.gz YKZPCGIAVRYCHW-KRWDZBQOSA-N 0 0 487.603 0.618 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000515923679 1068864302 /nfs/dbraw/zinc/86/43/02/1068864302.db2.gz YKZPCGIAVRYCHW-QGZVFWFLSA-N 0 0 487.603 0.618 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCOCC ZINC000515923722 1068864252 /nfs/dbraw/zinc/86/42/52/1068864252.db2.gz ASLWKMRUEZRSIK-UHFFFAOYSA-N 0 0 477.608 0.769 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515923797 1068864291 /nfs/dbraw/zinc/86/42/91/1068864291.db2.gz GLOFXNIHPSTYIG-UHFFFAOYSA-N 0 0 475.592 0.475 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCCOC(C)C ZINC000515923866 1068864267 /nfs/dbraw/zinc/86/42/67/1068864267.db2.gz MADUCWDJUMLBAQ-UHFFFAOYSA-N 0 0 489.619 0.934 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)C(C)C ZINC000515923888 1068864333 /nfs/dbraw/zinc/86/43/33/1068864333.db2.gz NACIXFCKCBCYHQ-UHFFFAOYSA-N 0 0 476.576 0.995 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCCOCC ZINC000515924202 1068864735 /nfs/dbraw/zinc/86/47/35/1068864735.db2.gz USFYCFUISPSOCN-UHFFFAOYSA-N 0 0 475.592 0.545 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)cc1 ZINC000515924230 1068864997 /nfs/dbraw/zinc/86/49/97/1068864997.db2.gz WKHZLGPGWLFOCQ-UHFFFAOYSA-N 0 0 495.582 0.664 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515924854 1068864708 /nfs/dbraw/zinc/86/47/08/1068864708.db2.gz SPQONIJWCZUHSE-UHFFFAOYSA-N 0 0 461.565 0.085 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(C)c(F)c1 ZINC000515925904 1068864871 /nfs/dbraw/zinc/86/48/71/1068864871.db2.gz YFGBVLFVYVWQSR-UHFFFAOYSA-N 0 0 471.535 0.999 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC000515942264 1068868063 /nfs/dbraw/zinc/86/80/63/1068868063.db2.gz ANCIXVJZQYXZJF-UHFFFAOYSA-N 0 0 481.538 0.711 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000515942379 1068867326 /nfs/dbraw/zinc/86/73/26/1068867326.db2.gz COGHZHAPISORMB-NRFANRHFSA-N 0 0 490.520 0.255 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000515942384 1068867389 /nfs/dbraw/zinc/86/73/89/1068867389.db2.gz COGHZHAPISORMB-OAQYLSRUSA-N 0 0 490.520 0.255 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000515945204 1068876796 /nfs/dbraw/zinc/87/67/96/1068876796.db2.gz MILHSLGTCXTSPL-UHFFFAOYSA-N 0 0 450.455 0.143 20 30 JCEDRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000515945359 1068876903 /nfs/dbraw/zinc/87/69/03/1068876903.db2.gz ONRGBFUSCAYXFN-UHFFFAOYSA-N 0 0 472.527 0.499 20 30 JCEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000515946325 1068877433 /nfs/dbraw/zinc/87/74/33/1068877433.db2.gz AOAYVANFWFPUER-UHFFFAOYSA-N 0 0 474.517 0.555 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000515946332 1068877625 /nfs/dbraw/zinc/87/76/25/1068877625.db2.gz AVGHTBIJNMOIFY-UHFFFAOYSA-N 0 0 477.525 0.511 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000515946988 1068877552 /nfs/dbraw/zinc/87/75/52/1068877552.db2.gz USSPRVMAQSHWAE-UHFFFAOYSA-N 0 0 462.510 0.642 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515947727 1068878101 /nfs/dbraw/zinc/87/81/01/1068878101.db2.gz YYNHGBMXPWOHMI-UHFFFAOYSA-N 0 0 463.494 0.744 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000515959201 1068884219 /nfs/dbraw/zinc/88/42/19/1068884219.db2.gz UHGUUEMNSDLGAZ-UHFFFAOYSA-N 0 0 462.509 0.878 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000515959525 1068883752 /nfs/dbraw/zinc/88/37/52/1068883752.db2.gz ZYXRVRKMKBYZFJ-UHFFFAOYSA-N 0 0 462.509 0.878 20 30 JCEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000515971855 1068881766 /nfs/dbraw/zinc/88/17/66/1068881766.db2.gz GDOWONZDBMMDGC-UHFFFAOYSA-N 0 0 476.493 0.942 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000515978301 1068884829 /nfs/dbraw/zinc/88/48/29/1068884829.db2.gz XSWLSJBJKNLPEM-UHFFFAOYSA-N 0 0 487.563 0.882 20 30 JCEDRN COc1ccc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000515984035 1068885568 /nfs/dbraw/zinc/88/55/68/1068885568.db2.gz AINJKOWMZNMESX-UHFFFAOYSA-N 0 0 485.566 0.874 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)CC1 ZINC000515987761 1068885403 /nfs/dbraw/zinc/88/54/03/1068885403.db2.gz QQPGSMFCGPOUEG-UHFFFAOYSA-N 0 0 482.566 0.768 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)cc1 ZINC000515988722 1068885482 /nfs/dbraw/zinc/88/54/82/1068885482.db2.gz GZDSNZYVAKGZTG-UHFFFAOYSA-N 0 0 468.583 0.917 20 30 JCEDRN CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O ZINC000515990738 1068885525 /nfs/dbraw/zinc/88/55/25/1068885525.db2.gz DHUIJSUJYVLCDV-UHFFFAOYSA-N 0 0 456.590 0.747 20 30 JCEDRN CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000516010296 1068887864 /nfs/dbraw/zinc/88/78/64/1068887864.db2.gz FBJQACIKPWZPIQ-UHFFFAOYSA-N 0 0 483.550 0.661 20 30 JCEDRN N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000516010297 1068887811 /nfs/dbraw/zinc/88/78/11/1068887811.db2.gz VZIZLDPUMWPPJT-UHFFFAOYSA-N 0 0 456.480 0.801 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)cc1 ZINC000516010796 1068887090 /nfs/dbraw/zinc/88/70/90/1068887090.db2.gz DDTSBCIXXBDWAM-UHFFFAOYSA-N 0 0 479.522 0.670 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)cc1 ZINC000516011000 1068887800 /nfs/dbraw/zinc/88/78/00/1068887800.db2.gz OWBDTWVPCYXKOI-UHFFFAOYSA-N 0 0 481.534 0.922 20 30 JCEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000516011074 1068887710 /nfs/dbraw/zinc/88/77/10/1068887710.db2.gz SXRGXKGISHSIES-UHFFFAOYSA-N 0 0 456.480 0.801 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2)cc1 ZINC000516011078 1068887818 /nfs/dbraw/zinc/88/78/18/1068887818.db2.gz TYRWVUVCBOWIDJ-UHFFFAOYSA-N 0 0 481.534 0.922 20 30 JCEDRN COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000516011083 1068887690 /nfs/dbraw/zinc/88/76/90/1068887690.db2.gz UBUNKNPLFCDRRQ-UHFFFAOYSA-N 0 0 486.506 0.582 20 30 JCEDRN CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000516011550 1068888270 /nfs/dbraw/zinc/88/82/70/1068888270.db2.gz GIUNOXXAJMFZAC-UHFFFAOYSA-N 0 0 476.536 0.433 20 30 JCEDRN CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000516011762 1068891384 /nfs/dbraw/zinc/89/13/84/1068891384.db2.gz NISLPICAFRQBCX-UHFFFAOYSA-N 0 0 494.526 0.572 20 30 JCEDRN COC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000516012506 1068892084 /nfs/dbraw/zinc/89/20/84/1068892084.db2.gz MROHCNMPQTYPOH-UHFFFAOYSA-N 0 0 456.480 0.816 20 30 JCEDRN CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000516012693 1068892157 /nfs/dbraw/zinc/89/21/57/1068892157.db2.gz SCKOPJDRVVQGJG-UHFFFAOYSA-N 0 0 469.523 0.732 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000516012879 1068891993 /nfs/dbraw/zinc/89/19/93/1068891993.db2.gz ZFXYRRCKYMAMGD-UHFFFAOYSA-N 0 0 456.480 0.801 20 30 JCEDRN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000516013379 1068893122 /nfs/dbraw/zinc/89/31/22/1068893122.db2.gz BOWWHFMYUDDEKO-UHFFFAOYSA-N 0 0 485.522 0.398 20 30 JCEDRN CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000516013592 1068893252 /nfs/dbraw/zinc/89/32/52/1068893252.db2.gz HTGQWLIWIOWZPV-UHFFFAOYSA-N 0 0 499.549 0.545 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)CC2)cc1 ZINC000516013737 1068893225 /nfs/dbraw/zinc/89/32/25/1068893225.db2.gz CSNTZQIOSNXMBG-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1-n1cnnn1 ZINC000516013885 1068892642 /nfs/dbraw/zinc/89/26/42/1068892642.db2.gz GTOVUAQLTDNUCR-UHFFFAOYSA-N 0 0 480.510 0.314 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1NC(C)=O ZINC000516013963 1068892686 /nfs/dbraw/zinc/89/26/86/1068892686.db2.gz HXVKEBPKDZRFBH-UHFFFAOYSA-N 0 0 485.522 0.997 20 30 JCEDRN CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000516014096 1068893891 /nfs/dbraw/zinc/89/38/91/1068893891.db2.gz RLFRAHIXYOXRMG-UHFFFAOYSA-N 0 0 499.549 0.545 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 ZINC000516014523 1068893805 /nfs/dbraw/zinc/89/38/05/1068893805.db2.gz YKELUCSHXXOETA-UHFFFAOYSA-N 0 0 497.581 0.177 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1 ZINC000516014526 1068893733 /nfs/dbraw/zinc/89/37/33/1068893733.db2.gz YWMCTXZDYZIYQE-UHFFFAOYSA-N 0 0 455.496 0.058 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)c1 ZINC000516015661 1068894325 /nfs/dbraw/zinc/89/43/25/1068894325.db2.gz NRKXNSJPWHYFNZ-UHFFFAOYSA-N 0 0 477.525 0.511 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)CC2)c1 ZINC000516015785 1068894238 /nfs/dbraw/zinc/89/42/38/1068894238.db2.gz SSXDGPNODMGESX-UHFFFAOYSA-N 0 0 481.538 0.711 20 30 JCEDRN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 ZINC000516016288 1068894376 /nfs/dbraw/zinc/89/43/76/1068894376.db2.gz WYFQRHIBVFAEBL-UHFFFAOYSA-N 0 0 475.553 0.557 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000516029672 1068890972 /nfs/dbraw/zinc/89/09/72/1068890972.db2.gz MGSRVYBKPLOOSE-NRFANRHFSA-N 0 0 499.593 0.802 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000516029673 1068890802 /nfs/dbraw/zinc/89/08/02/1068890802.db2.gz MGSRVYBKPLOOSE-OAQYLSRUSA-N 0 0 499.593 0.802 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)c1 ZINC000516032068 1068903009 /nfs/dbraw/zinc/90/30/09/1068903009.db2.gz SMEFOFBJZFUKCF-UHFFFAOYSA-N 0 0 462.510 0.642 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 ZINC000516037935 1068903946 /nfs/dbraw/zinc/90/39/46/1068903946.db2.gz MPTQCHXCGLXHSD-UHFFFAOYSA-N 0 0 476.559 0.333 20 30 JCEDRN N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000516039702 1068905222 /nfs/dbraw/zinc/90/52/22/1068905222.db2.gz SIWMXPYODYSPST-UHFFFAOYSA-N 0 0 452.446 0.200 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000516040875 1068905853 /nfs/dbraw/zinc/90/58/53/1068905853.db2.gz PCRUBVDXRMKJPK-UHFFFAOYSA-N 0 0 467.457 0.887 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000516041670 1068897311 /nfs/dbraw/zinc/89/73/11/1068897311.db2.gz JDJCMUQDISLGAY-UHFFFAOYSA-N 0 0 481.484 0.816 20 30 JCEDRN Cc1c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1-n1cnnn1 ZINC000516044602 1068899179 /nfs/dbraw/zinc/89/91/79/1068899179.db2.gz LUFVSZDMYSVIBB-UHFFFAOYSA-N 0 0 480.510 0.314 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1OCC(N)=O ZINC000516045936 1068899899 /nfs/dbraw/zinc/89/98/99/1068899899.db2.gz VBDRVPIIFFUNBH-UHFFFAOYSA-N 0 0 455.446 0.857 20 30 JCEDRN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C ZINC000516046062 1068900505 /nfs/dbraw/zinc/90/05/05/1068900505.db2.gz WYRKEHJYEAFDIS-UHFFFAOYSA-N 0 0 469.523 0.698 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000516046539 1068900610 /nfs/dbraw/zinc/90/06/10/1068900610.db2.gz AQZWDLBBYPBJJI-UHFFFAOYSA-N 0 0 466.483 0.006 20 30 JCEDRN COC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000516047194 1068901121 /nfs/dbraw/zinc/90/11/21/1068901121.db2.gz VWSXOPPQWKHPJS-UHFFFAOYSA-N 0 0 456.480 0.816 20 30 JCEDRN CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000516047318 1068901197 /nfs/dbraw/zinc/90/11/97/1068901197.db2.gz DXRNJVDLVHBLIW-UHFFFAOYSA-N 0 0 499.549 0.545 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000516047662 1068901023 /nfs/dbraw/zinc/90/10/23/1068901023.db2.gz MBGSQQHHNYCJJU-UHFFFAOYSA-N 0 0 466.483 0.006 20 30 JCEDRN COCCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000516047755 1068901007 /nfs/dbraw/zinc/90/10/07/1068901007.db2.gz LKQFIXAAMHUURL-UHFFFAOYSA-N 0 0 473.511 0.450 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000516047885 1068901039 /nfs/dbraw/zinc/90/10/39/1068901039.db2.gz SBBGRFYWJLHBOG-UHFFFAOYSA-N 0 0 481.534 0.922 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000516047973 1068901157 /nfs/dbraw/zinc/90/11/57/1068901157.db2.gz RNCZJPFRCQIERG-UHFFFAOYSA-N 0 0 482.522 0.559 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000516048277 1068906320 /nfs/dbraw/zinc/90/63/20/1068906320.db2.gz VSCNUWNEENPGAH-UHFFFAOYSA-N 0 0 450.480 0.973 20 30 JCEDRN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000516049525 1068906354 /nfs/dbraw/zinc/90/63/54/1068906354.db2.gz JILOPYSBLOQPRV-UHFFFAOYSA-N 0 0 490.563 0.823 20 30 JCEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000516052303 1068908470 /nfs/dbraw/zinc/90/84/70/1068908470.db2.gz ABUXSNBVOXBMSA-UHFFFAOYSA-N 0 0 482.562 0.746 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000516054094 1068910302 /nfs/dbraw/zinc/91/03/02/1068910302.db2.gz UNBLVEBIYIBEAK-UHFFFAOYSA-N 0 0 469.420 0.633 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)CC1 ZINC000516055113 1068911389 /nfs/dbraw/zinc/91/13/89/1068911389.db2.gz HRIXOWSDRCEVJU-UHFFFAOYSA-N 0 0 495.605 0.661 20 30 JCEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000516057649 1068911351 /nfs/dbraw/zinc/91/13/51/1068911351.db2.gz NCUKLFNSYWKFSK-UHFFFAOYSA-N 0 0 456.524 0.960 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 ZINC000516063636 1068912688 /nfs/dbraw/zinc/91/26/88/1068912688.db2.gz WTLOTBUGDOBERX-UHFFFAOYSA-N 0 0 460.516 0.545 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2)nc1 ZINC000516092711 1068918663 /nfs/dbraw/zinc/91/86/63/1068918663.db2.gz PIJUJXAQKCKQEX-UHFFFAOYSA-N 0 0 454.512 0.780 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc1 ZINC000516093158 1068919059 /nfs/dbraw/zinc/91/90/59/1068919059.db2.gz LLELWOKCRZXRHH-UHFFFAOYSA-N 0 0 484.538 0.261 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000516094959 1068920007 /nfs/dbraw/zinc/92/00/07/1068920007.db2.gz CUSGJNYNSJQNGY-UHFFFAOYSA-N 0 0 450.455 0.143 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)nc1 ZINC000516095610 1068919883 /nfs/dbraw/zinc/91/98/83/1068919883.db2.gz VSZZYWXKOWQKIV-UHFFFAOYSA-N 0 0 472.502 0.920 20 30 JCEDRN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000516096011 1069488458 /nfs/dbraw/zinc/48/84/58/1069488458.db2.gz GQTQXWJDHIAWBB-INIZCTEOSA-N 0 0 486.554 0.554 20 30 JCEDRN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000516096013 1068919827 /nfs/dbraw/zinc/91/98/27/1068919827.db2.gz GQTQXWJDHIAWBB-MRXNPFEDSA-N 0 0 486.554 0.554 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)nc1 ZINC000516096216 1068919712 /nfs/dbraw/zinc/91/97/12/1068919712.db2.gz QGVQOPXRANDBSD-UHFFFAOYSA-N 0 0 454.512 0.681 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 ZINC000516103009 1068915834 /nfs/dbraw/zinc/91/58/34/1068915834.db2.gz BIICCWAMDMLRRF-UHFFFAOYSA-N 0 0 458.496 0.963 20 30 JCEDRN COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000516138534 1068922456 /nfs/dbraw/zinc/92/24/56/1068922456.db2.gz XHVUDMOWIAIAAX-IBGZPJMESA-N 0 0 485.566 0.844 20 30 JCEDRN COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000516138535 1068922482 /nfs/dbraw/zinc/92/24/82/1068922482.db2.gz XHVUDMOWIAIAAX-LJQANCHMSA-N 0 0 485.566 0.844 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000516294718 1068934837 /nfs/dbraw/zinc/93/48/37/1068934837.db2.gz WRJMIFWQXIZEFG-UHFFFAOYSA-N 0 0 467.526 0.389 20 30 JCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000516295957 1068935146 /nfs/dbraw/zinc/93/51/46/1068935146.db2.gz KEPQEZCOWKLDSE-UHFFFAOYSA-N 0 0 497.533 0.923 20 30 JCEDRN C=CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000516307362 1068939375 /nfs/dbraw/zinc/93/93/75/1068939375.db2.gz GZKKMVJPEBPTKL-UHFFFAOYSA-N 0 0 473.555 0.853 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)c1 ZINC000516309594 1069488126 /nfs/dbraw/zinc/48/81/26/1069488126.db2.gz JXWPEJKDCMHROF-UHFFFAOYSA-N 0 0 468.539 0.475 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000516311912 1068940418 /nfs/dbraw/zinc/94/04/18/1068940418.db2.gz WLHVBRJCJJSAIW-UHFFFAOYSA-N 0 0 483.569 0.442 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000516371752 1068949095 /nfs/dbraw/zinc/94/90/95/1068949095.db2.gz VDBAAUMGHPXTBH-UHFFFAOYSA-N 0 0 498.467 0.977 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000516371995 1068948985 /nfs/dbraw/zinc/94/89/85/1068948985.db2.gz IVIDFGCXICCZJP-UHFFFAOYSA-N 0 0 471.445 0.759 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cs1 ZINC000516372455 1068949081 /nfs/dbraw/zinc/94/90/81/1068949081.db2.gz KAHPKVZSPLWDRX-UHFFFAOYSA-N 0 0 475.640 0.536 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(C)c(OC)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000516372593 1068949789 /nfs/dbraw/zinc/94/97/89/1068949789.db2.gz KNEHPOBMEYZXAQ-UHFFFAOYSA-N 0 0 470.595 0.507 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2OCC2CC2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000516372727 1068949706 /nfs/dbraw/zinc/94/97/06/1068949706.db2.gz WVLKKRDHMAEORD-UHFFFAOYSA-N 0 0 494.617 0.836 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000516372822 1068949527 /nfs/dbraw/zinc/94/95/27/1068949527.db2.gz UKOLROZOCYJSTQ-UHFFFAOYSA-N 0 0 492.485 0.943 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCN1CCOCC1 ZINC000516373032 1068949697 /nfs/dbraw/zinc/94/96/97/1068949697.db2.gz CWDXAQKBUZUNNF-UHFFFAOYSA-N 0 0 494.617 0.812 20 30 JCEDRN C=CCn1c(=O)c(=Cc2csc(C(C)(C)C)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000516373308 1068949686 /nfs/dbraw/zinc/94/96/86/1068949686.db2.gz OPQDPOUOMMTKFM-UHFFFAOYSA-N 0 0 487.651 0.801 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1C ZINC000516374050 1068949639 /nfs/dbraw/zinc/94/96/39/1068949639.db2.gz FCQDALNHPIPAPQ-UHFFFAOYSA-N 0 0 482.606 0.822 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1CCN1CCOCC1 ZINC000516374051 1068949651 /nfs/dbraw/zinc/94/96/51/1068949651.db2.gz FCXVNCYWGPOPPK-UHFFFAOYSA-N 0 0 475.640 0.680 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000516374134 1068949569 /nfs/dbraw/zinc/94/95/69/1068949569.db2.gz KIRUQEXWWPRJOS-UHFFFAOYSA-N 0 0 456.568 0.117 20 30 JCEDRN CC(C)(C)c1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cs1 ZINC000516374150 1068949724 /nfs/dbraw/zinc/94/97/24/1068949724.db2.gz LMYCVOUAIAMQHP-UHFFFAOYSA-N 0 0 487.651 0.778 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCN3CCOCC3)c2=O)cs1 ZINC000516374196 1068949747 /nfs/dbraw/zinc/94/97/47/1068949747.db2.gz ODKPRHPPFQUGSK-UHFFFAOYSA-N 0 0 487.651 0.823 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCCSC)c2=O)cs1 ZINC000516374757 1068950231 /nfs/dbraw/zinc/95/02/31/1068950231.db2.gz UEHXFDUBODRFFH-UHFFFAOYSA-N 0 0 452.627 0.947 20 30 JCEDRN CN(CC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)S(=O)(=O)c1ccc(C#N)cc1 ZINC000516394016 1068954579 /nfs/dbraw/zinc/95/45/79/1068954579.db2.gz JCZZMHZBNWDEHH-KRWDZBQOSA-N 0 0 472.523 0.620 20 30 JCEDRN CN(CC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)S(=O)(=O)c1ccc(C#N)cc1 ZINC000516394017 1068954824 /nfs/dbraw/zinc/95/48/24/1068954824.db2.gz JCZZMHZBNWDEHH-QGZVFWFLSA-N 0 0 472.523 0.620 20 30 JCEDRN CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 ZINC000516403739 1068956512 /nfs/dbraw/zinc/95/65/12/1068956512.db2.gz HZMGLMWJROTRDW-UHFFFAOYSA-N 0 0 481.534 0.939 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccnc3-n3cccn3)CC2)cc1 ZINC000516403923 1068956470 /nfs/dbraw/zinc/95/64/70/1068956470.db2.gz PAOPNQOXHSQNKM-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000516404199 1068956598 /nfs/dbraw/zinc/95/65/98/1068956598.db2.gz CQDHORMBEUGBQW-UHFFFAOYSA-N 0 0 469.523 0.732 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)cc1 ZINC000516404440 1068957064 /nfs/dbraw/zinc/95/70/64/1068957064.db2.gz IBHXSVUMEHICNK-UHFFFAOYSA-N 0 0 482.522 0.559 20 30 JCEDRN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000516404778 1068957712 /nfs/dbraw/zinc/95/77/12/1068957712.db2.gz XHGRMMVKEPXWBM-UHFFFAOYSA-N 0 0 499.549 0.740 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000516405018 1068957017 /nfs/dbraw/zinc/95/70/17/1068957017.db2.gz CZQVOZJHWYPTCK-UHFFFAOYSA-N 0 0 484.538 0.690 20 30 JCEDRN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C ZINC000516406314 1068958456 /nfs/dbraw/zinc/95/84/56/1068958456.db2.gz GUAGCBPDIJZXJF-UHFFFAOYSA-N 0 0 469.523 0.698 20 30 JCEDRN CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000516406353 1068957837 /nfs/dbraw/zinc/95/78/37/1068957837.db2.gz IJLKNCDAXKMRLB-UHFFFAOYSA-N 0 0 469.523 0.780 20 30 JCEDRN Cc1c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cccc1-n1cnnn1 ZINC000516406445 1068958357 /nfs/dbraw/zinc/95/83/57/1068958357.db2.gz MWEJUDOOKZTYCW-UHFFFAOYSA-N 0 0 480.510 0.314 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000516406464 1068958337 /nfs/dbraw/zinc/95/83/37/1068958337.db2.gz OLFKNMIQSOZQON-UHFFFAOYSA-N 0 0 466.483 0.006 20 30 JCEDRN CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000516406579 1069488485 /nfs/dbraw/zinc/48/84/85/1069488485.db2.gz UGIRAGDKABMGCI-UHFFFAOYSA-N 0 0 455.496 0.389 20 30 JCEDRN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000516406709 1068958766 /nfs/dbraw/zinc/95/87/66/1068958766.db2.gz BHZONYIQQJYJFK-UHFFFAOYSA-N 0 0 455.496 0.389 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000516406925 1068958711 /nfs/dbraw/zinc/95/87/11/1068958711.db2.gz OWPDGYPPIHOKOU-UHFFFAOYSA-N 0 0 498.565 0.570 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)cc1 ZINC000516407654 1068959413 /nfs/dbraw/zinc/95/94/13/1068959413.db2.gz KMUYQNPNHXZWKH-UHFFFAOYSA-N 0 0 479.522 0.670 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)cc1 ZINC000516408314 1068958951 /nfs/dbraw/zinc/95/89/51/1068958951.db2.gz WRWCLBBPNHPCRS-UHFFFAOYSA-N 0 0 466.483 0.006 20 30 JCEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000516421597 1068969431 /nfs/dbraw/zinc/96/94/31/1068969431.db2.gz MXCAOFHMNMEIJV-UHFFFAOYSA-N 0 0 492.536 0.996 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)cc1 ZINC000516421714 1068969158 /nfs/dbraw/zinc/96/91/58/1068969158.db2.gz RXNHRMOIKWJSMJ-KRWDZBQOSA-N 0 0 479.603 0.491 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)cc1 ZINC000516421715 1068969172 /nfs/dbraw/zinc/96/91/72/1068969172.db2.gz RXNHRMOIKWJSMJ-QGZVFWFLSA-N 0 0 479.603 0.491 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 ZINC000516421841 1068969188 /nfs/dbraw/zinc/96/91/88/1068969188.db2.gz XXBKIOSYWWUVFU-UHFFFAOYSA-N 0 0 498.569 0.457 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000516428681 1068963501 /nfs/dbraw/zinc/96/35/01/1068963501.db2.gz ZFRWUHVIFXZWQM-UHFFFAOYSA-N 0 0 491.614 0.588 20 30 JCEDRN COCCn1cc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 ZINC000516434446 1068965376 /nfs/dbraw/zinc/96/53/76/1068965376.db2.gz QROIAXOCVHSYTE-UHFFFAOYSA-N 0 0 454.466 0.996 20 30 JCEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 ZINC000516436746 1068981631 /nfs/dbraw/zinc/98/16/31/1068981631.db2.gz KFHRWFNQDSZOAG-UHFFFAOYSA-N 0 0 453.480 0.524 20 30 JCEDRN COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1NC(C)=O ZINC000516439004 1068973326 /nfs/dbraw/zinc/97/33/26/1068973326.db2.gz WKGRYQCSEVZODI-UHFFFAOYSA-N 0 0 485.522 0.997 20 30 JCEDRN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000516439757 1068973924 /nfs/dbraw/zinc/97/39/24/1068973924.db2.gz VFZWZFOACVHGKS-UHFFFAOYSA-N 0 0 485.522 0.398 20 30 JCEDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000516440003 1068974039 /nfs/dbraw/zinc/97/40/39/1068974039.db2.gz HIJREUXLUSZCOA-UHFFFAOYSA-N 0 0 473.467 0.947 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000516440036 1068973995 /nfs/dbraw/zinc/97/39/95/1068973995.db2.gz IOXGHUUFRMHZRG-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000516440161 1068973874 /nfs/dbraw/zinc/97/38/74/1068973874.db2.gz OGRMJZIRPHAHSN-UHFFFAOYSA-N 0 0 466.483 0.006 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000516440263 1068974072 /nfs/dbraw/zinc/97/40/72/1068974072.db2.gz UDMDEIGWSGBYTO-UHFFFAOYSA-N 0 0 459.459 0.268 20 30 JCEDRN Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000516440375 1068973251 /nfs/dbraw/zinc/97/32/51/1068973251.db2.gz ZDMNGXDZXCSQJT-UHFFFAOYSA-N 0 0 479.522 0.825 20 30 JCEDRN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2O1 ZINC000516440909 1068974554 /nfs/dbraw/zinc/97/45/54/1068974554.db2.gz OQWIZBBRINCYDW-IBGZPJMESA-N 0 0 498.517 0.358 20 30 JCEDRN COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2O1 ZINC000516440912 1068974478 /nfs/dbraw/zinc/97/44/78/1068974478.db2.gz OQWIZBBRINCYDW-LJQANCHMSA-N 0 0 498.517 0.358 20 30 JCEDRN Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1-n1cnnn1 ZINC000516442091 1068974397 /nfs/dbraw/zinc/97/43/97/1068974397.db2.gz XHIXJBXJGYOORI-UHFFFAOYSA-N 0 0 480.510 0.314 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000516442687 1068975019 /nfs/dbraw/zinc/97/50/19/1068975019.db2.gz TVPOOHPBVSNNFD-UHFFFAOYSA-N 0 0 483.550 0.866 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000516442756 1068975228 /nfs/dbraw/zinc/97/52/28/1068975228.db2.gz BPXUOQHPNWESFQ-UHFFFAOYSA-N 0 0 467.507 0.915 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000516442836 1068974941 /nfs/dbraw/zinc/97/49/41/1068974941.db2.gz WJTKGSDSCHYBLG-UHFFFAOYSA-N 0 0 482.522 0.559 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000516443068 1068975152 /nfs/dbraw/zinc/97/51/52/1068975152.db2.gz MEIGEHOVJMHHAC-UHFFFAOYSA-N 0 0 475.914 0.782 20 30 JCEDRN CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000516443455 1068976165 /nfs/dbraw/zinc/97/61/65/1068976165.db2.gz ZUXFHELEPAESAG-UHFFFAOYSA-N 0 0 499.549 0.545 20 30 JCEDRN CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000516443516 1068976200 /nfs/dbraw/zinc/97/62/00/1068976200.db2.gz DQZDXOSGNYPIAH-UHFFFAOYSA-N 0 0 476.536 0.433 20 30 JCEDRN COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000516443527 1068976309 /nfs/dbraw/zinc/97/63/09/1068976309.db2.gz FIZUDCYTGQMNMC-UHFFFAOYSA-N 0 0 485.522 0.997 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 ZINC000516443568 1068976339 /nfs/dbraw/zinc/97/63/39/1068976339.db2.gz AMEOAEKCVHLQRI-UHFFFAOYSA-N 0 0 464.482 0.879 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1NC(C)=O ZINC000516443674 1068976356 /nfs/dbraw/zinc/97/63/56/1068976356.db2.gz IHOKUSFVAFOIMY-UHFFFAOYSA-N 0 0 485.522 0.997 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000516446426 1068977361 /nfs/dbraw/zinc/97/73/61/1068977361.db2.gz SPYDYJRUQGQSJD-UHFFFAOYSA-N 0 0 490.480 0.425 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)CC2)nc1 ZINC000516482920 1068986143 /nfs/dbraw/zinc/98/61/43/1068986143.db2.gz GLPNYMLHGDKDNH-UHFFFAOYSA-N 0 0 481.538 0.711 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)CC2)nc1 ZINC000516483582 1068985985 /nfs/dbraw/zinc/98/59/85/1068985985.db2.gz SBHURJICHSSUJI-NRFANRHFSA-N 0 0 490.520 0.255 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)CC2)nc1 ZINC000516483583 1068986032 /nfs/dbraw/zinc/98/60/32/1068986032.db2.gz SBHURJICHSSUJI-OAQYLSRUSA-N 0 0 490.520 0.255 20 30 JCEDRN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000516483656 1068986806 /nfs/dbraw/zinc/98/68/06/1068986806.db2.gz PBDQFUSVCHYXAT-UHFFFAOYSA-N 0 0 456.528 0.927 20 30 JCEDRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000516485406 1068986642 /nfs/dbraw/zinc/98/66/42/1068986642.db2.gz IBZPHVOABAQSQL-UHFFFAOYSA-N 0 0 472.527 0.499 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000516485649 1068987246 /nfs/dbraw/zinc/98/72/46/1068987246.db2.gz MILOJKIUMZEZCA-UHFFFAOYSA-N 0 0 485.570 0.557 20 30 JCEDRN CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 ZINC000516486067 1068987326 /nfs/dbraw/zinc/98/73/26/1068987326.db2.gz UFOGGSQGYDUQQZ-FQEVSTJZSA-N 0 0 462.510 0.922 20 30 JCEDRN CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 ZINC000516486069 1068986790 /nfs/dbraw/zinc/98/67/90/1068986790.db2.gz UFOGGSQGYDUQQZ-HXUWFJFHSA-N 0 0 462.510 0.922 20 30 JCEDRN CCOc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N(C)C ZINC000516486223 1068986746 /nfs/dbraw/zinc/98/67/46/1068986746.db2.gz VKNCYJXWJDOHJX-UHFFFAOYSA-N 0 0 486.554 0.890 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OCC(=O)NC1CC1 ZINC000516486615 1068987193 /nfs/dbraw/zinc/98/71/93/1068987193.db2.gz CBLMKEHOKWUZQB-UHFFFAOYSA-N 0 0 478.509 0.907 20 30 JCEDRN Cn1c(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc2c1n(C)c(=O)n(C)c2=O ZINC000516577562 1069002144 /nfs/dbraw/zinc/00/21/44/1069002144.db2.gz RAQYLSWTQJCYOZ-UHFFFAOYSA-N 0 0 460.498 0.578 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000516579609 1069002235 /nfs/dbraw/zinc/00/22/35/1069002235.db2.gz BZGNUNCCMMYXEX-UHFFFAOYSA-N 0 0 467.507 0.870 20 30 JCEDRN Cc1noc([C@@H]2CCCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)n1 ZINC000516616610 1069006881 /nfs/dbraw/zinc/00/68/81/1069006881.db2.gz OFTFUDKRXONRCP-GOSISDBHSA-N 0 0 458.544 0.962 20 30 JCEDRN Cc1noc([C@H]2CCCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)n1 ZINC000516616611 1069006781 /nfs/dbraw/zinc/00/67/81/1069006781.db2.gz OFTFUDKRXONRCP-SFHVURJKSA-N 0 0 458.544 0.962 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000516703697 1069015033 /nfs/dbraw/zinc/01/50/33/1069015033.db2.gz QLONXTROESBGSM-UHFFFAOYSA-N 0 0 459.488 0.672 20 30 JCEDRN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 ZINC000516732270 1069020178 /nfs/dbraw/zinc/02/01/78/1069020178.db2.gz HIALZGNPSFHKIW-UHFFFAOYSA-N 0 0 461.526 0.628 20 30 JCEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000516734068 1069020618 /nfs/dbraw/zinc/02/06/18/1069020618.db2.gz AKVLBRMOICRWKP-UHFFFAOYSA-N 0 0 462.484 0.415 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000516746264 1069024932 /nfs/dbraw/zinc/02/49/32/1069024932.db2.gz FZUOVEJRJSVJBI-UHFFFAOYSA-N 0 0 481.553 0.733 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc3c(c2)CCC3)CC1 ZINC000516826509 1069036853 /nfs/dbraw/zinc/03/68/53/1069036853.db2.gz RNFANUQGXCNPMV-UHFFFAOYSA-N 0 0 488.617 0.788 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)CCC2 ZINC000516828062 1069037722 /nfs/dbraw/zinc/03/77/22/1069037722.db2.gz OWJITCKGXMNUQG-UHFFFAOYSA-N 0 0 490.585 0.932 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000516828291 1069037641 /nfs/dbraw/zinc/03/76/41/1069037641.db2.gz ADMHJRPSZKOXDB-UHFFFAOYSA-N 0 0 498.467 0.977 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000516828312 1069037683 /nfs/dbraw/zinc/03/76/83/1069037683.db2.gz BNAZHVBKZYHKBH-UHFFFAOYSA-N 0 0 486.456 0.881 20 30 JCEDRN Cc1nc(COc2ccc(C=c3sc(=C(C#N)C(=O)N4CCOCC4)n(C4CC4)c3=O)cc2)no1 ZINC000516828743 1069036775 /nfs/dbraw/zinc/03/67/75/1069036775.db2.gz GDOCBRLMIXFRLI-UHFFFAOYSA-N 0 0 493.545 0.877 20 30 JCEDRN CCCn1c(=O)c(=Cc2csc(CC)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000516828814 1069034563 /nfs/dbraw/zinc/03/45/63/1069034563.db2.gz LHNJTPWPNVAEFL-UHFFFAOYSA-N 0 0 461.613 0.290 20 30 JCEDRN C=CCn1c(=O)c(=Cc2csc(CC)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000516828847 1069034862 /nfs/dbraw/zinc/03/48/62/1069034862.db2.gz OAXMDECFKACKLH-UHFFFAOYSA-N 0 0 459.597 0.066 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OCc3noc(C)n3)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000516829048 1069034677 /nfs/dbraw/zinc/03/46/77/1069034677.db2.gz DNQYSHFVUGETBP-UHFFFAOYSA-N 0 0 493.545 0.728 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(C)c(OC)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000516829278 1069034500 /nfs/dbraw/zinc/03/45/00/1069034500.db2.gz HYAVIIJFMJFQQE-UHFFFAOYSA-N 0 0 484.622 0.897 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc4c(c3)OCCO4)c2=O)cs1 ZINC000516829358 1069034528 /nfs/dbraw/zinc/03/45/28/1069034528.db2.gz KLLRSFXKZJIOSL-UHFFFAOYSA-N 0 0 498.586 0.955 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OCc3noc(C)n3)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000516829842 1069034729 /nfs/dbraw/zinc/03/47/29/1069034729.db2.gz YROHYDPPTRSMOP-UHFFFAOYSA-N 0 0 481.534 0.632 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@@H]3CCCO3)c2=O)cs1 ZINC000516830065 1069035324 /nfs/dbraw/zinc/03/53/24/1069035324.db2.gz BROANVDDPBGXII-HNNXBMFYSA-N 0 0 462.597 0.763 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@H]3CCCO3)c2=O)cs1 ZINC000516830066 1069035414 /nfs/dbraw/zinc/03/54/14/1069035414.db2.gz BROANVDDPBGXII-OAHLLOKOSA-N 0 0 462.597 0.763 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)cs1 ZINC000516830096 1069035441 /nfs/dbraw/zinc/03/54/41/1069035441.db2.gz FCIMEMJPZGPYHC-UHFFFAOYSA-N 0 0 495.630 0.869 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1CCN1CCOCC1 ZINC000516830257 1069035377 /nfs/dbraw/zinc/03/53/77/1069035377.db2.gz PTDUGHLTHTXHOA-UHFFFAOYSA-N 0 0 459.597 0.066 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1C ZINC000516830258 1069035371 /nfs/dbraw/zinc/03/53/71/1069035371.db2.gz PUUCOJPDPYAGIA-UHFFFAOYSA-N 0 0 482.606 0.649 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1C ZINC000516830339 1069034582 /nfs/dbraw/zinc/03/45/82/1069034582.db2.gz UKQMBDLIXUTZFZ-UHFFFAOYSA-N 0 0 456.568 0.024 20 30 JCEDRN COCCNC(=O)CN1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000516843690 1069039357 /nfs/dbraw/zinc/03/93/57/1069039357.db2.gz UIIIQWQBWXMRNC-UHFFFAOYSA-N 0 0 470.530 0.929 20 30 JCEDRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1-n1cnnn1 ZINC000517106054 1069050567 /nfs/dbraw/zinc/05/05/67/1069050567.db2.gz SZADZGGXGNECHJ-UHFFFAOYSA-N 0 0 480.510 0.314 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1 ZINC000517108824 1069051316 /nfs/dbraw/zinc/05/13/16/1069051316.db2.gz AWQROXAPOBHCEE-UHFFFAOYSA-N 0 0 467.507 0.915 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)cc1 ZINC000517108845 1069051335 /nfs/dbraw/zinc/05/13/35/1069051335.db2.gz BOMBZPAZBNFXFL-UHFFFAOYSA-N 0 0 487.586 0.160 20 30 JCEDRN COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1NC(C)=O ZINC000517109238 1069052072 /nfs/dbraw/zinc/05/20/72/1069052072.db2.gz NEYNUFUPKRSJTK-UHFFFAOYSA-N 0 0 485.522 0.997 20 30 JCEDRN C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2NC1=O ZINC000517109672 1069052097 /nfs/dbraw/zinc/05/20/97/1069052097.db2.gz FACFDKLJTNNBBL-AWEZNQCLSA-N 0 0 483.506 0.749 20 30 JCEDRN C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2NC1=O ZINC000517109675 1069052127 /nfs/dbraw/zinc/05/21/27/1069052127.db2.gz FACFDKLJTNNBBL-CQSZACIVSA-N 0 0 483.506 0.749 20 30 JCEDRN COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000517110018 1069051333 /nfs/dbraw/zinc/05/13/33/1069051333.db2.gz PBKTUPPWTUTEIE-UHFFFAOYSA-N 0 0 474.470 0.956 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)cc1 ZINC000517110133 1069052105 /nfs/dbraw/zinc/05/21/05/1069052105.db2.gz XGNCXBIPJSFLRI-UHFFFAOYSA-N 0 0 483.550 0.866 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4nccnc4c3)CC2)cc1 ZINC000517112760 1069049794 /nfs/dbraw/zinc/04/97/94/1069049794.db2.gz AZMGGRNXPNGAMM-UHFFFAOYSA-N 0 0 450.480 0.973 20 30 JCEDRN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000517113450 1069057968 /nfs/dbraw/zinc/05/79/68/1069057968.db2.gz CLFGQDWKUHPBHD-UHFFFAOYSA-N 0 0 499.549 0.497 20 30 JCEDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000517113501 1069058061 /nfs/dbraw/zinc/05/80/61/1069058061.db2.gz SRHZXRLMJFUWGA-UHFFFAOYSA-N 0 0 473.467 0.947 20 30 JCEDRN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000517113555 1069058082 /nfs/dbraw/zinc/05/80/82/1069058082.db2.gz GLAXLDUZTVWEQW-UHFFFAOYSA-N 0 0 499.549 0.497 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)CC2)cc1 ZINC000517113600 1069058054 /nfs/dbraw/zinc/05/80/54/1069058054.db2.gz RSLNFBIQYFCAMW-UHFFFAOYSA-N 0 0 479.522 0.670 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)cc1 ZINC000517113605 1069058090 /nfs/dbraw/zinc/05/80/90/1069058090.db2.gz RVVPNFAXUZNAQW-UHFFFAOYSA-N 0 0 485.522 0.284 20 30 JCEDRN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000517113668 1069057993 /nfs/dbraw/zinc/05/79/93/1069057993.db2.gz VZNYEMCNVYWDKO-UHFFFAOYSA-N 0 0 480.510 0.314 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 ZINC000517113721 1069058069 /nfs/dbraw/zinc/05/80/69/1069058069.db2.gz XOCSMAJTXBUFIY-UHFFFAOYSA-N 0 0 486.554 0.274 20 30 JCEDRN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000517115908 1069052960 /nfs/dbraw/zinc/05/29/60/1069052960.db2.gz DZXRIAGIBJVMKZ-UHFFFAOYSA-N 0 0 456.528 0.927 20 30 JCEDRN CCOc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)N(C)C ZINC000517115939 1069052950 /nfs/dbraw/zinc/05/29/50/1069052950.db2.gz AECBPPOLPZFNSU-UHFFFAOYSA-N 0 0 486.554 0.890 20 30 JCEDRN Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)N(C)C ZINC000517116421 1069053863 /nfs/dbraw/zinc/05/38/63/1069053863.db2.gz RQZLFKKUFUIZCY-UHFFFAOYSA-N 0 0 456.528 0.799 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1 ZINC000517116544 1069053827 /nfs/dbraw/zinc/05/38/27/1069053827.db2.gz VOSADRYSPWQNLJ-UHFFFAOYSA-N 0 0 484.538 0.261 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)c1 ZINC000517119302 1069055478 /nfs/dbraw/zinc/05/54/78/1069055478.db2.gz MDXPIZITPGADOQ-UHFFFAOYSA-N 0 0 472.502 0.920 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OCC(=O)NC1CC1 ZINC000517119363 1069055533 /nfs/dbraw/zinc/05/55/33/1069055533.db2.gz MNTWDKIBEHTKOT-UHFFFAOYSA-N 0 0 478.509 0.907 20 30 JCEDRN COc1ccnc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)c1 ZINC000517132905 1069059713 /nfs/dbraw/zinc/05/97/13/1069059713.db2.gz BKOYPMKKTYKDCD-UHFFFAOYSA-N 0 0 484.582 0.617 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2)c1 ZINC000517141142 1069064226 /nfs/dbraw/zinc/06/42/26/1069064226.db2.gz SRHHFLAWJYJMPV-UHFFFAOYSA-N 0 0 454.512 0.780 20 30 JCEDRN N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000517142314 1069066191 /nfs/dbraw/zinc/06/61/91/1069066191.db2.gz OKBJMRIBOBKIEV-UHFFFAOYSA-N 0 0 478.509 0.687 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O ZINC000517154536 1069064285 /nfs/dbraw/zinc/06/42/85/1069064285.db2.gz XOGKNXSUDDWFHW-UHFFFAOYSA-N 0 0 454.552 0.384 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000517154740 1069071802 /nfs/dbraw/zinc/07/18/02/1069071802.db2.gz XPTUDAXTLXOOFU-UHFFFAOYSA-N 0 0 494.617 0.761 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(F)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000517154855 1069071034 /nfs/dbraw/zinc/07/10/34/1069071034.db2.gz YXIUWBFANNBWER-UHFFFAOYSA-N 0 0 456.543 0.495 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)ccc1OCC(F)(F)F ZINC000517157468 1069076467 /nfs/dbraw/zinc/07/64/67/1069076467.db2.gz UYNVLYGNMMHWLL-UHFFFAOYSA-N 0 0 477.399 0.969 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)cc1 ZINC000517160983 1069076403 /nfs/dbraw/zinc/07/64/03/1069076403.db2.gz VAJYIBHJTZBYJG-UHFFFAOYSA-N 0 0 493.630 0.834 20 30 JCEDRN N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 ZINC000517169434 1069075577 /nfs/dbraw/zinc/07/55/77/1069075577.db2.gz CIYFBPYFXXDWEG-UHFFFAOYSA-N 0 0 453.480 0.524 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000517178850 1069079637 /nfs/dbraw/zinc/07/96/37/1069079637.db2.gz HKJFNQUJWOHNAS-UHFFFAOYSA-N 0 0 485.522 0.284 20 30 JCEDRN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000517178898 1069079516 /nfs/dbraw/zinc/07/95/16/1069079516.db2.gz IDNVIOIMDRKHMO-UHFFFAOYSA-N 0 0 476.536 0.433 20 30 JCEDRN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000517179016 1069078809 /nfs/dbraw/zinc/07/88/09/1069078809.db2.gz GIAPSGUVRONRRO-UHFFFAOYSA-N 0 0 499.549 0.497 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000517179427 1069079466 /nfs/dbraw/zinc/07/94/66/1069079466.db2.gz MUHBZIQHCXVQPG-HDICACEKSA-N 0 0 493.586 0.806 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)C[C@@H](C)O1 ZINC000517179429 1069079494 /nfs/dbraw/zinc/07/94/94/1069079494.db2.gz MUHBZIQHCXVQPG-QZTJIDSGSA-N 0 0 493.586 0.806 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000517179431 1069079510 /nfs/dbraw/zinc/07/95/10/1069079510.db2.gz MUHBZIQHCXVQPG-ROUUACIJSA-N 0 0 493.586 0.806 20 30 JCEDRN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000517179882 1069079500 /nfs/dbraw/zinc/07/95/00/1069079500.db2.gz QXCCITSMZSZWSX-UHFFFAOYSA-N 0 0 480.510 0.314 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 ZINC000517184100 1069081224 /nfs/dbraw/zinc/08/12/24/1069081224.db2.gz WFZBTTZOJHGSJE-UHFFFAOYSA-N 0 0 479.522 0.670 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000517184136 1069081324 /nfs/dbraw/zinc/08/13/24/1069081324.db2.gz LVWKWNAWUNLROE-UHFFFAOYSA-N 0 0 479.522 0.670 20 30 JCEDRN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000517184193 1069081237 /nfs/dbraw/zinc/08/12/37/1069081237.db2.gz YDXJPYYWGDPFEK-UHFFFAOYSA-N 0 0 455.496 0.389 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(OC)cc2)cc1 ZINC000517185159 1069082316 /nfs/dbraw/zinc/08/23/16/1069082316.db2.gz VYTASSRVTJSOBR-UHFFFAOYSA-N 0 0 474.539 0.986 20 30 JCEDRN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000517186170 1069083936 /nfs/dbraw/zinc/08/39/36/1069083936.db2.gz SIXUXXMLDBVIJM-UHFFFAOYSA-N 0 0 499.549 0.545 20 30 JCEDRN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000517187860 1069083905 /nfs/dbraw/zinc/08/39/05/1069083905.db2.gz DFQATHRQIFCIGP-UHFFFAOYSA-N 0 0 499.549 0.497 20 30 JCEDRN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1=O ZINC000517187899 1069083928 /nfs/dbraw/zinc/08/39/28/1069083928.db2.gz FHIKXADEKYVHJQ-UHFFFAOYSA-N 0 0 481.490 0.256 20 30 JCEDRN C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2NC1=O ZINC000517188804 1069083902 /nfs/dbraw/zinc/08/39/02/1069083902.db2.gz MAXWCBMSNSIMAH-AWEZNQCLSA-N 0 0 483.506 0.749 20 30 JCEDRN C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2NC1=O ZINC000517188806 1069083926 /nfs/dbraw/zinc/08/39/26/1069083926.db2.gz MAXWCBMSNSIMAH-CQSZACIVSA-N 0 0 483.506 0.749 20 30 JCEDRN COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000517189205 1069085287 /nfs/dbraw/zinc/08/52/87/1069085287.db2.gz QGBQTQUKMDAVGA-UHFFFAOYSA-N 0 0 474.470 0.956 20 30 JCEDRN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000517190200 1069085309 /nfs/dbraw/zinc/08/53/09/1069085309.db2.gz JIAVGVFHIHLNGL-UHFFFAOYSA-N 0 0 485.522 0.155 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000517193032 1069086137 /nfs/dbraw/zinc/08/61/37/1069086137.db2.gz HIBBLXHQSLDMQX-UHFFFAOYSA-N 0 0 464.438 0.958 20 30 JCEDRN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000517193492 1069086088 /nfs/dbraw/zinc/08/60/88/1069086088.db2.gz UOWZVCJWEZOSHX-UHFFFAOYSA-N 0 0 470.467 0.892 20 30 JCEDRN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000517276699 1069092799 /nfs/dbraw/zinc/09/27/99/1069092799.db2.gz JRJCVNAXCYCQQM-UHFFFAOYSA-N 0 0 499.549 0.545 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCCOC)CC2)cc1 ZINC000517332297 1069103005 /nfs/dbraw/zinc/10/30/05/1069103005.db2.gz GXYFJUBWWWXADU-UHFFFAOYSA-N 0 0 480.587 0.823 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 ZINC000517333040 1069103029 /nfs/dbraw/zinc/10/30/29/1069103029.db2.gz WKTLQAATBTYBLE-UHFFFAOYSA-N 0 0 484.538 0.261 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)CC2)nc1 ZINC000517333601 1069103419 /nfs/dbraw/zinc/10/34/19/1069103419.db2.gz LXNRNWHYOCLWFP-UHFFFAOYSA-N 0 0 454.512 0.780 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000517336221 1069101333 /nfs/dbraw/zinc/10/13/33/1069101333.db2.gz LUDPPQDXWSAMDV-UHFFFAOYSA-N 0 0 498.565 0.570 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000517336222 1069101479 /nfs/dbraw/zinc/10/14/79/1069101479.db2.gz LVNPGRXZHNBNLR-UHFFFAOYSA-N 0 0 464.482 0.072 20 30 JCEDRN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 ZINC000517336752 1069102150 /nfs/dbraw/zinc/10/21/50/1069102150.db2.gz FVYVTCOUASWBQT-UHFFFAOYSA-N 0 0 475.553 0.557 20 30 JCEDRN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000517336822 1069101955 /nfs/dbraw/zinc/10/19/55/1069101955.db2.gz HEVUPGUFMUVLFK-UHFFFAOYSA-N 0 0 464.482 0.533 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000517393314 1069105958 /nfs/dbraw/zinc/10/59/58/1069105958.db2.gz MSUWOCXPHLOFQK-UHFFFAOYSA-N 0 0 490.513 0.133 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(F)c3F)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000517393463 1069106015 /nfs/dbraw/zinc/10/60/15/1069106015.db2.gz OYZQDZZXDDZLKD-UHFFFAOYSA-N 0 0 459.478 0.659 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000517393912 1069106717 /nfs/dbraw/zinc/10/67/17/1069106717.db2.gz WDBOVNGGSWZBDA-UHFFFAOYSA-N 0 0 460.506 0.325 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OC)c3Cl)c(=O)n2C)CC1 ZINC000517400984 1069105067 /nfs/dbraw/zinc/10/50/67/1069105067.db2.gz FXNPDNZHDKAHOC-UHFFFAOYSA-N 0 0 476.986 0.785 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c(Cl)c1OC ZINC000517402081 1069105082 /nfs/dbraw/zinc/10/50/82/1069105082.db2.gz QPLKIJDQCRGOJH-UHFFFAOYSA-N 0 0 492.985 0.069 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c(Cl)c1OC ZINC000517402157 1069105209 /nfs/dbraw/zinc/10/52/09/1069105209.db2.gz UPJXDCKEPPHJIN-UHFFFAOYSA-N 0 0 464.931 0.093 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000517410828 1069108663 /nfs/dbraw/zinc/10/86/63/1069108663.db2.gz OFCMITKXCZRDRA-UHFFFAOYSA-N 0 0 469.502 0.719 20 30 JCEDRN Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1S(=O)(=O)NCC#N ZINC000517475834 1069114928 /nfs/dbraw/zinc/11/49/28/1069114928.db2.gz MHOKHPGLPZOBMZ-UHFFFAOYSA-N 0 0 498.608 0.809 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccccc1 ZINC000517483609 1069113953 /nfs/dbraw/zinc/11/39/53/1069113953.db2.gz GEZYHJCFAZJZRE-UHFFFAOYSA-N 0 0 481.603 0.366 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1S(=O)(=O)NCC#N ZINC000517483996 1069114188 /nfs/dbraw/zinc/11/41/88/1069114188.db2.gz GONMOIBOOUGZQU-UHFFFAOYSA-N 0 0 454.516 0.436 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000517488748 1069114211 /nfs/dbraw/zinc/11/42/11/1069114211.db2.gz QSKXILVDHUYRRG-UHFFFAOYSA-N 0 0 476.558 0.880 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCN3CCOCC3)c2=O)s1 ZINC000517490584 1069114793 /nfs/dbraw/zinc/11/47/93/1069114793.db2.gz ZCVWSKGJJYNPQX-UHFFFAOYSA-N 0 0 490.651 0.522 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000517494587 1069116373 /nfs/dbraw/zinc/11/63/73/1069116373.db2.gz DMXPATGZQFBHHZ-UHFFFAOYSA-N 0 0 465.622 0.955 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCNS(C)(=O)=O ZINC000517495431 1069116257 /nfs/dbraw/zinc/11/62/57/1069116257.db2.gz ZSACGOMFRLJMDR-UHFFFAOYSA-N 0 0 476.624 0.495 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(C)c3C)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000517495715 1069116317 /nfs/dbraw/zinc/11/63/17/1069116317.db2.gz CAPDEJOPBJPKPE-UHFFFAOYSA-N 0 0 451.552 0.998 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1C ZINC000517497142 1069116491 /nfs/dbraw/zinc/11/64/91/1069116491.db2.gz YYFUSFRADSAIPK-NRFANRHFSA-N 0 0 496.633 0.657 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1C ZINC000517497143 1069116188 /nfs/dbraw/zinc/11/61/88/1069116188.db2.gz YYFUSFRADSAIPK-OAQYLSRUSA-N 0 0 496.633 0.657 20 30 JCEDRN Cc1cc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n2ncnc2n1 ZINC000517499784 1069117263 /nfs/dbraw/zinc/11/72/63/1069117263.db2.gz WPADRNYYMFSKED-UHFFFAOYSA-N 0 0 454.516 0.505 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OCc3ccccc3C#N)c2)c(=O)n1CC(N)=O ZINC000517510248 1069115606 /nfs/dbraw/zinc/11/56/06/1069115606.db2.gz AEPPFNPNYJFYFP-UHFFFAOYSA-N 0 0 499.552 0.627 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccnc4ccccc34)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000517510888 1069122642 /nfs/dbraw/zinc/12/26/42/1069122642.db2.gz MOUNXVIYORUAFD-UHFFFAOYSA-N 0 0 474.546 0.929 20 30 JCEDRN N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000517511855 1069122393 /nfs/dbraw/zinc/12/23/93/1069122393.db2.gz VAHLBXZUVSTTAQ-UHFFFAOYSA-N 0 0 476.536 0.725 20 30 JCEDRN CN(CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000517520487 1069120298 /nfs/dbraw/zinc/12/02/98/1069120298.db2.gz IAGMZUGNRXFHKI-UHFFFAOYSA-N 0 0 461.588 0.581 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccnc3ccccc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000517522138 1069120964 /nfs/dbraw/zinc/12/09/64/1069120964.db2.gz PMBGVLDBALUQQY-UHFFFAOYSA-N 0 0 464.547 0.856 20 30 JCEDRN Cc1ccc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1S(=O)(=O)NCC#N ZINC000517522816 1067828589 /nfs/dbraw/zinc/82/85/89/1067828589.db2.gz ZPFGIFHRSVIDCL-UHFFFAOYSA-N 0 0 461.588 0.813 20 30 JCEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000517531494 1069124033 /nfs/dbraw/zinc/12/40/33/1069124033.db2.gz AEWKIWIDQCBVDF-UHFFFAOYSA-N 0 0 469.479 0.361 20 30 JCEDRN Cn1c(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc2c1n(C)c(=O)n(C)c2=O ZINC000517580483 1069126881 /nfs/dbraw/zinc/12/68/81/1069126881.db2.gz MLHVMALALZDJJB-UHFFFAOYSA-N 0 0 478.488 0.717 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 ZINC000517753107 1069131388 /nfs/dbraw/zinc/13/13/88/1069131388.db2.gz IJYWXMFYHSPTBS-UHFFFAOYSA-N 0 0 481.298 0.327 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517775750 1069132653 /nfs/dbraw/zinc/13/26/53/1069132653.db2.gz VVUFNBNIESVBTO-UHFFFAOYSA-N 0 0 459.488 0.672 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000517785704 1069133950 /nfs/dbraw/zinc/13/39/50/1069133950.db2.gz VRLZXAKVFKSRBL-UHFFFAOYSA-N 0 0 490.563 0.742 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCC(CS(N)(=O)=O)CC3)n2c2ccccc2c1=O ZINC000517809099 1069139511 /nfs/dbraw/zinc/13/95/11/1069139511.db2.gz YBJZMJXGJYRXOP-UHFFFAOYSA-N 0 0 476.584 0.849 20 30 JCEDRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000517811305 1069140040 /nfs/dbraw/zinc/14/00/40/1069140040.db2.gz CKKMOWBYQRHALU-GOSISDBHSA-N 0 0 452.581 0.502 20 30 JCEDRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000517811306 1069140231 /nfs/dbraw/zinc/14/02/31/1069140231.db2.gz CKKMOWBYQRHALU-SFHVURJKSA-N 0 0 452.581 0.502 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1=O ZINC000517820141 1069138706 /nfs/dbraw/zinc/13/87/06/1069138706.db2.gz BHYCEJCRDOZGPS-HNNXBMFYSA-N 0 0 462.528 0.700 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1=O ZINC000517820142 1069138417 /nfs/dbraw/zinc/13/84/17/1069138417.db2.gz BHYCEJCRDOZGPS-OAHLLOKOSA-N 0 0 462.528 0.700 20 30 JCEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000517832172 1069140030 /nfs/dbraw/zinc/14/00/30/1069140030.db2.gz XFCNHFKHEFIRTE-CALCHBBNSA-N 0 0 466.560 0.688 20 30 JCEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000517832173 1069140153 /nfs/dbraw/zinc/14/01/53/1069140153.db2.gz XFCNHFKHEFIRTE-IAGOWNOFSA-N 0 0 466.560 0.688 20 30 JCEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000517832174 1069139986 /nfs/dbraw/zinc/13/99/86/1069139986.db2.gz XFCNHFKHEFIRTE-IRXDYDNUSA-N 0 0 466.560 0.688 20 30 JCEDRN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 ZINC000517836960 1069147031 /nfs/dbraw/zinc/14/70/31/1069147031.db2.gz BHTXLNCNPHOAIK-UHFFFAOYSA-N 0 0 461.526 0.628 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000517840919 1069144175 /nfs/dbraw/zinc/14/41/75/1069144175.db2.gz BMHZKEVTSCJKCB-UHFFFAOYSA-N 0 0 456.572 0.982 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCSC)C(=O)Nc2ccc3oc(=O)[nH]c3c2)C1=O ZINC000517848085 1069147864 /nfs/dbraw/zinc/14/78/64/1069147864.db2.gz IFKRGIDYHCFJML-GFCCVEGCSA-N 0 0 475.483 0.687 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc3oc(=O)[nH]c3c2)C1=O ZINC000517848086 1069147788 /nfs/dbraw/zinc/14/77/88/1069147788.db2.gz IFKRGIDYHCFJML-LBPRGKRZSA-N 0 0 475.483 0.687 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)C1=O ZINC000517849536 1069148697 /nfs/dbraw/zinc/14/86/97/1069148697.db2.gz ZHYAGFSNDCUWNC-CYBMUJFWSA-N 0 0 468.466 0.804 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)C1=O ZINC000517849543 1069148980 /nfs/dbraw/zinc/14/89/80/1069148980.db2.gz ZHYAGFSNDCUWNC-ZDUSSCGKSA-N 0 0 468.466 0.804 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000517863199 1069154729 /nfs/dbraw/zinc/15/47/29/1069154729.db2.gz ITXXGSVAHGHYQS-UHFFFAOYSA-N 0 0 466.541 0.428 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)cc1 ZINC000517877439 1069157489 /nfs/dbraw/zinc/15/74/89/1069157489.db2.gz VEWJGBGQXNHZIQ-UHFFFAOYSA-N 0 0 467.507 0.863 20 30 JCEDRN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000517883767 1069155852 /nfs/dbraw/zinc/15/58/52/1069155852.db2.gz RXEJAZUZKFAYRH-UHFFFAOYSA-N 0 0 454.512 0.999 20 30 JCEDRN CS(=O)(=O)c1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccn21 ZINC000517891388 1069159817 /nfs/dbraw/zinc/15/98/17/1069159817.db2.gz GNUHTAWQMLHKMZ-UHFFFAOYSA-N 0 0 473.536 0.756 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)ccc1F ZINC000517921880 1069165345 /nfs/dbraw/zinc/16/53/45/1069165345.db2.gz UBLKINIZEJJHDN-UHFFFAOYSA-N 0 0 492.598 0.468 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCCC(=O)OC ZINC000517922941 1069165618 /nfs/dbraw/zinc/16/56/18/1069165618.db2.gz BHKUQEAOSSUPLG-UHFFFAOYSA-N 0 0 461.515 0.576 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O ZINC000517923171 1069165955 /nfs/dbraw/zinc/16/59/55/1069165955.db2.gz IYLOQNDPUGHDRZ-UHFFFAOYSA-N 0 0 454.552 0.528 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000517923174 1069165596 /nfs/dbraw/zinc/16/55/96/1069165596.db2.gz AHXPRDVCWXDCKW-UHFFFAOYSA-N 0 0 488.585 0.345 20 30 JCEDRN CN1c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2CCC1=O ZINC000517952726 1069169884 /nfs/dbraw/zinc/16/98/84/1069169884.db2.gz VDQMRBGJUKDGQT-UHFFFAOYSA-N 0 0 481.534 0.939 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc3c(c2)CCC3)c1=O ZINC000517976690 1069171759 /nfs/dbraw/zinc/17/17/59/1069171759.db2.gz FAQZUPYRSCIUJX-UHFFFAOYSA-N 0 0 461.547 0.483 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)CCC2 ZINC000517976838 1069171947 /nfs/dbraw/zinc/17/19/47/1069171947.db2.gz KBARYGYDKUZTDN-UHFFFAOYSA-N 0 0 463.563 0.777 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000517983196 1069174128 /nfs/dbraw/zinc/17/41/28/1069174128.db2.gz KIDXZHUECVAREO-UHFFFAOYSA-N 0 0 486.456 0.881 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000517983662 1069174104 /nfs/dbraw/zinc/17/41/04/1069174104.db2.gz KAOYWNHOULHLDN-UHFFFAOYSA-N 0 0 489.460 0.220 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCN1CCOCC1 ZINC000517984844 1069174899 /nfs/dbraw/zinc/17/48/99/1069174899.db2.gz HGPLQCHOZODCJI-UHFFFAOYSA-N 0 0 494.617 0.836 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2csc(CC)n2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000517985753 1069175527 /nfs/dbraw/zinc/17/55/27/1069175527.db2.gz VUPUJLJDMFCJNW-UHFFFAOYSA-N 0 0 462.597 0.717 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000517985840 1069174660 /nfs/dbraw/zinc/17/46/60/1069174660.db2.gz XUKNKPOEFDQJSN-GOSISDBHSA-N 0 0 471.579 0.980 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000517985842 1069174690 /nfs/dbraw/zinc/17/46/90/1069174690.db2.gz XUKNKPOEFDQJSN-SFHVURJKSA-N 0 0 471.579 0.980 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OCc3noc(C)n3)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000517986020 1069175415 /nfs/dbraw/zinc/17/54/15/1069175415.db2.gz QJMROKORGNQTSZ-UHFFFAOYSA-N 0 0 495.561 0.952 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OCc3noc(C)n3)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000517986478 1069172655 /nfs/dbraw/zinc/17/26/55/1069172655.db2.gz VMVLFMHGUVSXGL-UHFFFAOYSA-N 0 0 483.550 0.856 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3noc(C)n3)cc2)c(=O)n1C1CC1 ZINC000517986488 1069172606 /nfs/dbraw/zinc/17/26/06/1069172606.db2.gz VZGBHDGYBAQMEW-UHFFFAOYSA-N 0 0 481.534 0.781 20 30 JCEDRN CC(C)(C)c1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cs1 ZINC000517986622 1069172428 /nfs/dbraw/zinc/17/24/28/1069172428.db2.gz IJHJSCQPYJIUML-UHFFFAOYSA-N 0 0 487.651 0.950 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)c(OC)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000517987619 1069172625 /nfs/dbraw/zinc/17/26/25/1069172625.db2.gz LNVHFMLXQGLPDN-UHFFFAOYSA-N 0 0 482.606 0.673 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000517988008 1069172359 /nfs/dbraw/zinc/17/23/59/1069172359.db2.gz CQXZFEUVOVNXEO-UHFFFAOYSA-N 0 0 484.622 0.897 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1CCN1CCOCC1 ZINC000517988045 1069172569 /nfs/dbraw/zinc/17/25/69/1069172569.db2.gz DEOMLBJMDLKGFZ-UHFFFAOYSA-N 0 0 461.613 0.290 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1C ZINC000517988446 1069172495 /nfs/dbraw/zinc/17/24/95/1069172495.db2.gz IYTQSIMQKHVFRI-UHFFFAOYSA-N 0 0 484.622 0.895 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cs1 ZINC000517988462 1069172598 /nfs/dbraw/zinc/17/25/98/1069172598.db2.gz JEKMCGPSYVSVPK-UHFFFAOYSA-N 0 0 459.597 0.043 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1C ZINC000517989001 1069172510 /nfs/dbraw/zinc/17/25/10/1069172510.db2.gz ZXVKHCPJCGTSIE-UHFFFAOYSA-N 0 0 496.633 0.993 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000518035531 1069179822 /nfs/dbraw/zinc/17/98/22/1069179822.db2.gz PJGZKGMKUVIWMB-ATZDWAIDSA-N 0 0 458.540 0.955 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000518035533 1069179915 /nfs/dbraw/zinc/17/99/15/1069179915.db2.gz PJGZKGMKUVIWMB-LZQZEXGQSA-N 0 0 458.540 0.955 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000518035534 1069180067 /nfs/dbraw/zinc/18/00/67/1069180067.db2.gz PJGZKGMKUVIWMB-MNEFBYGVSA-N 0 0 458.540 0.955 20 30 JCEDRN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000518035536 1069180060 /nfs/dbraw/zinc/18/00/60/1069180060.db2.gz PJGZKGMKUVIWMB-ZYSHUDEJSA-N 0 0 458.540 0.955 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000518044850 1069181471 /nfs/dbraw/zinc/18/14/71/1069181471.db2.gz QDTOXLBIGQDJPV-KRWDZBQOSA-N 0 0 472.523 0.933 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000518044851 1069181624 /nfs/dbraw/zinc/18/16/24/1069181624.db2.gz QDTOXLBIGQDJPV-QGZVFWFLSA-N 0 0 472.523 0.933 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000518047782 1069181650 /nfs/dbraw/zinc/18/16/50/1069181650.db2.gz WICCLWBISCSDSB-GOSISDBHSA-N 0 0 457.508 0.914 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000518047783 1069181668 /nfs/dbraw/zinc/18/16/68/1069181668.db2.gz WICCLWBISCSDSB-SFHVURJKSA-N 0 0 457.508 0.914 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O ZINC000518064981 1069183289 /nfs/dbraw/zinc/18/32/89/1069183289.db2.gz TUJXRHOOSALGNP-UHFFFAOYSA-N 0 0 484.550 0.157 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000518065569 1069183274 /nfs/dbraw/zinc/18/32/74/1069183274.db2.gz GCDKNSIQVSSHKT-UHFFFAOYSA-N 0 0 460.506 0.325 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O ZINC000518065732 1069183107 /nfs/dbraw/zinc/18/31/07/1069183107.db2.gz JBMFERSBILJOAZ-UHFFFAOYSA-N 0 0 469.535 0.855 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000518066779 1069183942 /nfs/dbraw/zinc/18/39/42/1069183942.db2.gz CWORSGONLYUNDM-CYBMUJFWSA-N 0 0 451.495 0.879 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000518066780 1069183920 /nfs/dbraw/zinc/18/39/20/1069183920.db2.gz CWORSGONLYUNDM-ZDUSSCGKSA-N 0 0 451.495 0.879 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccc(F)c3F)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000518067001 1069183210 /nfs/dbraw/zinc/18/32/10/1069183210.db2.gz JLQIPSYKXDZMMR-UHFFFAOYSA-N 0 0 484.484 0.943 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000518067422 1069182406 /nfs/dbraw/zinc/18/24/06/1069182406.db2.gz ZQZNTFIYYSGKQB-HNNXBMFYSA-N 0 0 472.589 0.219 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000518067423 1069182421 /nfs/dbraw/zinc/18/24/21/1069182421.db2.gz ZQZNTFIYYSGKQB-OAHLLOKOSA-N 0 0 472.589 0.219 20 30 JCEDRN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000518067900 1069183887 /nfs/dbraw/zinc/18/38/87/1069183887.db2.gz HPTCTUHHTMOCNE-UHFFFAOYSA-N 0 0 455.496 0.988 20 30 JCEDRN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000518068628 1069182328 /nfs/dbraw/zinc/18/23/28/1069182328.db2.gz XJNCGVZWMCCJRB-UHFFFAOYSA-N 0 0 469.523 0.780 20 30 JCEDRN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2O1 ZINC000518068666 1069182416 /nfs/dbraw/zinc/18/24/16/1069182416.db2.gz ZHDJMXZDAHWUNX-FQEVSTJZSA-N 0 0 498.517 0.358 20 30 JCEDRN COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2O1 ZINC000518068667 1069182464 /nfs/dbraw/zinc/18/24/64/1069182464.db2.gz ZHDJMXZDAHWUNX-HXUWFJFHSA-N 0 0 498.517 0.358 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)CC2)cc1 ZINC000518069264 1069190556 /nfs/dbraw/zinc/19/05/56/1069190556.db2.gz AUVNBWKEZOTLFJ-UHFFFAOYSA-N 0 0 482.522 0.559 20 30 JCEDRN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000518069884 1069189744 /nfs/dbraw/zinc/18/97/44/1069189744.db2.gz LPHYPHFIMPKTOD-UHFFFAOYSA-N 0 0 490.563 0.823 20 30 JCEDRN Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000518071122 1069191982 /nfs/dbraw/zinc/19/19/82/1069191982.db2.gz IHFFKEQDARRMND-UHFFFAOYSA-N 0 0 479.522 0.825 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)c1 ZINC000518071162 1069191992 /nfs/dbraw/zinc/19/19/92/1069191992.db2.gz KHTSWUCXRADNHX-UHFFFAOYSA-N 0 0 454.512 0.681 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)CC2)c1 ZINC000518071517 1069191989 /nfs/dbraw/zinc/19/19/89/1069191989.db2.gz QOYVSOMZRNJSCS-UHFFFAOYSA-N 0 0 454.512 0.780 20 30 JCEDRN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000518072485 1069184564 /nfs/dbraw/zinc/18/45/64/1069184564.db2.gz NZFTYPAAYIBHNY-UHFFFAOYSA-N 0 0 469.523 0.698 20 30 JCEDRN COCCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000518073091 1069185199 /nfs/dbraw/zinc/18/51/99/1069185199.db2.gz GCGCGMRNMVDVOL-UHFFFAOYSA-N 0 0 473.511 0.450 20 30 JCEDRN COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000518073116 1069185096 /nfs/dbraw/zinc/18/50/96/1069185096.db2.gz HDPIIWLOWQMWNT-UHFFFAOYSA-N 0 0 485.522 0.997 20 30 JCEDRN CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000518073130 1069185173 /nfs/dbraw/zinc/18/51/73/1069185173.db2.gz HXZXRYZNNHRWIC-UHFFFAOYSA-N 0 0 476.536 0.433 20 30 JCEDRN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1=O ZINC000518073178 1069185086 /nfs/dbraw/zinc/18/50/86/1069185086.db2.gz IYSAUTULHGMTOX-UHFFFAOYSA-N 0 0 481.490 0.256 20 30 JCEDRN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000518073221 1069185150 /nfs/dbraw/zinc/18/51/50/1069185150.db2.gz KRJQXYLENNSHQJ-UHFFFAOYSA-N 0 0 476.536 0.433 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)cc1 ZINC000518073237 1069185145 /nfs/dbraw/zinc/18/51/45/1069185145.db2.gz KXTZOSQQIOUYOL-UHFFFAOYSA-N 0 0 475.914 0.782 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cc(C(N)=O)ccc3F)CC2)cc1 ZINC000518073456 1069185113 /nfs/dbraw/zinc/18/51/13/1069185113.db2.gz OCRBGSUPBGWBLJ-UHFFFAOYSA-N 0 0 459.459 0.268 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)cc1 ZINC000518073578 1069184702 /nfs/dbraw/zinc/18/47/02/1069184702.db2.gz VYKUQBORGBVPDL-UHFFFAOYSA-N 0 0 466.483 0.006 20 30 JCEDRN COC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000518074175 1069185862 /nfs/dbraw/zinc/18/58/62/1069185862.db2.gz AMVULBUKKLJHAO-UHFFFAOYSA-N 0 0 456.480 0.816 20 30 JCEDRN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000518074396 1069185850 /nfs/dbraw/zinc/18/58/50/1069185850.db2.gz IOZKOKAGBZQUHU-INIZCTEOSA-N 0 0 486.554 0.554 20 30 JCEDRN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000518074397 1069185803 /nfs/dbraw/zinc/18/58/03/1069185803.db2.gz IOZKOKAGBZQUHU-MRXNPFEDSA-N 0 0 486.554 0.554 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000518074528 1069185770 /nfs/dbraw/zinc/18/57/70/1069185770.db2.gz NTNLXQHPQYHLTE-UHFFFAOYSA-N 0 0 450.455 0.143 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)CC2)c1 ZINC000518074844 1069185193 /nfs/dbraw/zinc/18/51/93/1069185193.db2.gz XXAQLWDGDXBZIK-NRFANRHFSA-N 0 0 490.520 0.255 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)CC2)c1 ZINC000518074845 1069185217 /nfs/dbraw/zinc/18/52/17/1069185217.db2.gz XXAQLWDGDXBZIK-OAQYLSRUSA-N 0 0 490.520 0.255 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CC(N)=O ZINC000518075243 1069186531 /nfs/dbraw/zinc/18/65/31/1069186531.db2.gz TVQQSZBACVTNNZ-UHFFFAOYSA-N 0 0 478.958 0.485 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c(Cl)c1OC ZINC000518075272 1069186745 /nfs/dbraw/zinc/18/67/45/1069186745.db2.gz VAOPVMCCYYMFRG-UHFFFAOYSA-N 0 0 461.927 0.938 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000518075352 1069186791 /nfs/dbraw/zinc/18/67/91/1069186791.db2.gz YORAWISJUZJBIV-UHFFFAOYSA-N 0 0 463.943 0.962 20 30 JCEDRN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000518076248 1069187681 /nfs/dbraw/zinc/18/76/81/1069187681.db2.gz ADFSVHARBFBVJL-UHFFFAOYSA-N 0 0 464.482 0.533 20 30 JCEDRN CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2O1 ZINC000518076774 1069186506 /nfs/dbraw/zinc/18/65/06/1069186506.db2.gz CBOYMLMZECMJJO-FQEVSTJZSA-N 0 0 462.510 0.922 20 30 JCEDRN CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2O1 ZINC000518076777 1069186604 /nfs/dbraw/zinc/18/66/04/1069186604.db2.gz CBOYMLMZECMJJO-HXUWFJFHSA-N 0 0 462.510 0.922 20 30 JCEDRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000518077957 1069187363 /nfs/dbraw/zinc/18/73/63/1069187363.db2.gz VBIXKFYHHSZFSC-UHFFFAOYSA-N 0 0 472.527 0.499 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 ZINC000518115714 1069208183 /nfs/dbraw/zinc/20/81/83/1069208183.db2.gz NQUDAIKQWOLVIE-UHFFFAOYSA-N 0 0 466.541 0.395 20 30 JCEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2ccccc2O1 ZINC000518118793 1069203656 /nfs/dbraw/zinc/20/36/56/1069203656.db2.gz LNVXDCVASCRXSW-FQEVSTJZSA-N 0 0 451.458 0.886 20 30 JCEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2ccccc2O1 ZINC000518118794 1069203647 /nfs/dbraw/zinc/20/36/47/1069203647.db2.gz LNVXDCVASCRXSW-HXUWFJFHSA-N 0 0 451.458 0.886 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CCC)CC2)cc1 ZINC000518125173 1069205913 /nfs/dbraw/zinc/20/59/13/1069205913.db2.gz UJGWUXSQCJEFRX-UHFFFAOYSA-N 0 0 486.616 0.752 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000518127766 1069213051 /nfs/dbraw/zinc/21/30/51/1069213051.db2.gz FSHGTCRVHOTLCU-UHFFFAOYSA-N 0 0 490.563 0.742 20 30 JCEDRN CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 ZINC000518127798 1069212932 /nfs/dbraw/zinc/21/29/32/1069212932.db2.gz HNXDIDAFWNZAGQ-UHFFFAOYSA-N 0 0 481.534 0.939 20 30 JCEDRN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000518127817 1069212968 /nfs/dbraw/zinc/21/29/68/1069212968.db2.gz IISFSTQCNGRRPU-UHFFFAOYSA-N 0 0 455.496 0.988 20 30 JCEDRN COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000518127834 1069213055 /nfs/dbraw/zinc/21/30/55/1069213055.db2.gz JBNJVKYIIZTECY-UHFFFAOYSA-N 0 0 486.506 0.582 20 30 JCEDRN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000518128159 1069214057 /nfs/dbraw/zinc/21/40/57/1069214057.db2.gz NLDKYBIZEDOXQM-UHFFFAOYSA-N 0 0 455.496 0.988 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1Cl ZINC000518128755 1069214042 /nfs/dbraw/zinc/21/40/42/1069214042.db2.gz JNANHOGRJHFQJU-UHFFFAOYSA-N 0 0 465.875 0.375 20 30 JCEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1Cl ZINC000518129022 1069213507 /nfs/dbraw/zinc/21/35/07/1069213507.db2.gz OUSBXSVCADUISZ-UHFFFAOYSA-N 0 0 465.875 0.375 20 30 JCEDRN CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000518129147 1069214009 /nfs/dbraw/zinc/21/40/09/1069214009.db2.gz GPKLTOZRWZBADE-UHFFFAOYSA-N 0 0 469.523 0.780 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000518129436 1069214367 /nfs/dbraw/zinc/21/43/67/1069214367.db2.gz JKQNYNCWNVEFSF-UHFFFAOYSA-N 0 0 456.480 0.801 20 30 JCEDRN CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000518129480 1069214447 /nfs/dbraw/zinc/21/44/47/1069214447.db2.gz LAVDKKVQKLYNGQ-UHFFFAOYSA-N 0 0 483.550 0.661 20 30 JCEDRN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000518129500 1069214414 /nfs/dbraw/zinc/21/44/14/1069214414.db2.gz LYGQQQXNZFKDNU-UHFFFAOYSA-N 0 0 469.523 0.698 20 30 JCEDRN CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000518129622 1069214582 /nfs/dbraw/zinc/21/45/82/1069214582.db2.gz OMRQWTWPBDMHLJ-UHFFFAOYSA-N 0 0 455.496 0.389 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000518131407 1069215627 /nfs/dbraw/zinc/21/56/27/1069215627.db2.gz JBMOVYHWELKMDQ-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000518131683 1069215076 /nfs/dbraw/zinc/21/50/76/1069215076.db2.gz VTEGWSHDDPPEDD-UHFFFAOYSA-N 0 0 479.522 0.670 20 30 JCEDRN CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000518132144 1069215579 /nfs/dbraw/zinc/21/55/79/1069215579.db2.gz DKZLJTGSWQZOFE-UHFFFAOYSA-N 0 0 476.536 0.433 20 30 JCEDRN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000518132501 1069208800 /nfs/dbraw/zinc/20/88/00/1069208800.db2.gz GOPHJPCFIQIBNL-UHFFFAOYSA-N 0 0 469.523 0.780 20 30 JCEDRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1-n1cnnn1 ZINC000518132554 1069208703 /nfs/dbraw/zinc/20/87/03/1069208703.db2.gz JTPLTQRTVDOKFP-UHFFFAOYSA-N 0 0 480.510 0.314 20 30 JCEDRN CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000518132875 1069208682 /nfs/dbraw/zinc/20/86/82/1069208682.db2.gz VKYUESAGRUITGZ-UHFFFAOYSA-N 0 0 494.526 0.572 20 30 JCEDRN CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000518134871 1069209382 /nfs/dbraw/zinc/20/93/82/1069209382.db2.gz FRECDGASTUERCN-UHFFFAOYSA-N 0 0 469.523 0.732 20 30 JCEDRN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000518135553 1069210067 /nfs/dbraw/zinc/21/00/67/1069210067.db2.gz QHGKDMLMDSQJRL-UHFFFAOYSA-N 0 0 499.549 0.740 20 30 JCEDRN COC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000518135564 1069210153 /nfs/dbraw/zinc/21/01/53/1069210153.db2.gz RBOPLAYPAIAYID-UHFFFAOYSA-N 0 0 456.480 0.816 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 ZINC000518135662 1069210139 /nfs/dbraw/zinc/21/01/39/1069210139.db2.gz USPOSYGLWUOLGC-UHFFFAOYSA-N 0 0 475.914 0.782 20 30 JCEDRN N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000518138332 1069211861 /nfs/dbraw/zinc/21/18/61/1069211861.db2.gz LTQUGTVIKDQFGR-UHFFFAOYSA-N 0 0 465.532 0.029 20 30 JCEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2O1 ZINC000518138930 1069211162 /nfs/dbraw/zinc/21/11/62/1069211162.db2.gz OIVXYIKXKCEKKT-IBGZPJMESA-N 0 0 490.476 0.995 20 30 JCEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2O1 ZINC000518138937 1069210835 /nfs/dbraw/zinc/21/08/35/1069210835.db2.gz OIVXYIKXKCEKKT-LJQANCHMSA-N 0 0 490.476 0.995 20 30 JCEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000518154260 1069222461 /nfs/dbraw/zinc/22/24/61/1069222461.db2.gz LBSSYQZZXTTXSA-UHFFFAOYSA-N 0 0 486.550 0.969 20 30 JCEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000518154744 1069222714 /nfs/dbraw/zinc/22/27/14/1069222714.db2.gz FDRSGCCLOUUANB-INIZCTEOSA-N 0 0 481.600 0.598 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000518154747 1069222409 /nfs/dbraw/zinc/22/24/09/1069222409.db2.gz FDRSGCCLOUUANB-MRXNPFEDSA-N 0 0 481.600 0.598 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000518174135 1069228565 /nfs/dbraw/zinc/22/85/65/1069228565.db2.gz OWVNGMOTNWLXJH-UHFFFAOYSA-N 0 0 491.595 0.667 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000518174263 1069229143 /nfs/dbraw/zinc/22/91/43/1069229143.db2.gz VGSAEZIXKGCDAH-UHFFFAOYSA-N 0 0 457.512 0.119 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)s1 ZINC000518199475 1069232910 /nfs/dbraw/zinc/23/29/10/1069232910.db2.gz BBHGEPOPKSJZTA-UHFFFAOYSA-N 0 0 496.570 0.932 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 ZINC000518199479 1069232572 /nfs/dbraw/zinc/23/25/72/1069232572.db2.gz BGNQSTZHZQVNFN-UHFFFAOYSA-N 0 0 494.598 0.984 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c1C ZINC000518199537 1069232781 /nfs/dbraw/zinc/23/27/81/1069232781.db2.gz CVAZMNHKYGDAJQ-UHFFFAOYSA-N 0 0 454.596 0.887 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc(C)c2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000518200021 1069232702 /nfs/dbraw/zinc/23/27/02/1069232702.db2.gz JLJGJFPILIFDLG-UHFFFAOYSA-N 0 0 454.596 0.888 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc(C)c2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000518200836 1069232926 /nfs/dbraw/zinc/23/29/26/1069232926.db2.gz UUGCBBZYYBUWKB-UHFFFAOYSA-N 0 0 498.649 0.905 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000518200969 1069232735 /nfs/dbraw/zinc/23/27/35/1069232735.db2.gz XAQZOSGHMDWRSS-UHFFFAOYSA-N 0 0 454.596 0.888 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)s1 ZINC000518201007 1069232897 /nfs/dbraw/zinc/23/28/97/1069232897.db2.gz YULAPVLQFYMRDN-UHFFFAOYSA-N 0 0 488.635 0.228 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCN3CCOCC3)c2=O)s1 ZINC000518201680 1069233448 /nfs/dbraw/zinc/23/34/48/1069233448.db2.gz BENNQMITRZNDQF-UHFFFAOYSA-N 0 0 476.624 0.132 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 ZINC000518203974 1069233303 /nfs/dbraw/zinc/23/33/03/1069233303.db2.gz RSVPAQDTBWNZML-UHFFFAOYSA-N 0 0 497.581 0.177 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1S(=O)(=O)NCC#N ZINC000518209434 1069235285 /nfs/dbraw/zinc/23/52/85/1069235285.db2.gz RBYINMFMNARXCW-UHFFFAOYSA-N 0 0 477.568 0.407 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)nc1 ZINC000518210485 1069235272 /nfs/dbraw/zinc/23/52/72/1069235272.db2.gz GGYRJDSINXIASP-UHFFFAOYSA-N 0 0 477.525 0.511 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000518210520 1069235083 /nfs/dbraw/zinc/23/50/83/1069235083.db2.gz IDOJWMVLJVRZPD-UHFFFAOYSA-N 0 0 484.538 0.690 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c1C ZINC000518211421 1069235630 /nfs/dbraw/zinc/23/56/30/1069235630.db2.gz FXKUTDJSVFRJCX-UHFFFAOYSA-N 0 0 459.593 0.948 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCNS(C)(=O)=O ZINC000518211780 1069235133 /nfs/dbraw/zinc/23/51/33/1069235133.db2.gz JQQXUBICNFSQFZ-UHFFFAOYSA-N 0 0 482.653 0.502 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)s1 ZINC000518214006 1069235902 /nfs/dbraw/zinc/23/59/02/1069235902.db2.gz XWAYFTWDCCWDOX-UHFFFAOYSA-N 0 0 458.609 0.820 20 30 JCEDRN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000518215308 1069235952 /nfs/dbraw/zinc/23/59/52/1069235952.db2.gz MXFIQUVRHNVJQS-KRWDZBQOSA-N 0 0 454.574 0.453 20 30 JCEDRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000518215309 1069235724 /nfs/dbraw/zinc/23/57/24/1069235724.db2.gz MXFIQUVRHNVJQS-QGZVFWFLSA-N 0 0 454.574 0.453 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(C)c2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000518216290 1069235920 /nfs/dbraw/zinc/23/59/20/1069235920.db2.gz KXMZYWOFMPDDBL-UHFFFAOYSA-N 0 0 452.580 0.664 20 30 JCEDRN Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1S(=O)(=O)NCC#N ZINC000518216307 1069235743 /nfs/dbraw/zinc/23/57/43/1069235743.db2.gz KGIVBRIYZFVLMH-HNNXBMFYSA-N 0 0 454.599 0.887 20 30 JCEDRN Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1S(=O)(=O)NCC#N ZINC000518216319 1069235852 /nfs/dbraw/zinc/23/58/52/1069235852.db2.gz KGIVBRIYZFVLMH-OAHLLOKOSA-N 0 0 454.599 0.887 20 30 JCEDRN C=CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518232169 1069236772 /nfs/dbraw/zinc/23/67/72/1069236772.db2.gz RGOSRJIMOPFVAX-HNNXBMFYSA-N 0 0 463.502 0.575 20 30 JCEDRN C=CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518232170 1069236968 /nfs/dbraw/zinc/23/69/68/1069236968.db2.gz RGOSRJIMOPFVAX-OAHLLOKOSA-N 0 0 463.502 0.575 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000518245134 1069238507 /nfs/dbraw/zinc/23/85/07/1069238507.db2.gz RGJXKACWAVERIW-UHFFFAOYSA-N 0 0 489.601 0.916 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C1CC1 ZINC000518245306 1069238917 /nfs/dbraw/zinc/23/89/17/1069238917.db2.gz OCGOLCBKCHBPDY-UHFFFAOYSA-N 0 0 475.574 0.744 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000518245363 1069239064 /nfs/dbraw/zinc/23/90/64/1069239064.db2.gz YRPYDDYLGFCTMU-UHFFFAOYSA-N 0 0 499.552 0.812 20 30 JCEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)c1 ZINC000518249609 1069242278 /nfs/dbraw/zinc/24/22/78/1069242278.db2.gz SCCGRLSSHIZNSK-UHFFFAOYSA-N 0 0 491.504 0.819 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000518263066 1069243249 /nfs/dbraw/zinc/24/32/49/1069243249.db2.gz OFCSGKXLIOEMAE-UHFFFAOYSA-N 0 0 483.506 0.152 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)nc1 ZINC000518347588 1069246355 /nfs/dbraw/zinc/24/63/55/1069246355.db2.gz YTGCHGKWPISKMG-UHFFFAOYSA-N 0 0 484.586 0.332 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000518354734 1069247510 /nfs/dbraw/zinc/24/75/10/1069247510.db2.gz ROLYNLRHFLLAOI-UHFFFAOYSA-N 0 0 458.544 0.910 20 30 JCEDRN Cn1c(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518415242 1069249091 /nfs/dbraw/zinc/24/90/91/1069249091.db2.gz FGFAQTJHGFGCKP-UHFFFAOYSA-N 0 0 463.454 0.658 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)c1 ZINC000518462184 1069252049 /nfs/dbraw/zinc/25/20/49/1069252049.db2.gz QQHOEVJYCUSGCZ-UHFFFAOYSA-N 0 0 467.525 0.855 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000518462780 1069252077 /nfs/dbraw/zinc/25/20/77/1069252077.db2.gz LJDHLAOJSLJYJU-INIZCTEOSA-N 0 0 475.592 0.520 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000518462784 1069252135 /nfs/dbraw/zinc/25/21/35/1069252135.db2.gz LJDHLAOJSLJYJU-MRXNPFEDSA-N 0 0 475.592 0.520 20 30 JCEDRN Cc1noc(C2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)n1 ZINC000518475650 1069253028 /nfs/dbraw/zinc/25/30/28/1069253028.db2.gz YKPCQKANVJVGMN-UHFFFAOYSA-N 0 0 458.544 0.962 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000518485337 1069256116 /nfs/dbraw/zinc/25/61/16/1069256116.db2.gz IZBNDVPBKCYEQD-UHFFFAOYSA-N 0 0 459.488 0.672 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)nc1 ZINC000518506916 1069258632 /nfs/dbraw/zinc/25/86/32/1069258632.db2.gz HHDFFWYKEZBVHY-UHFFFAOYSA-N 0 0 468.539 0.475 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C=Nc3ccccc3S2(=O)=O)CC1 ZINC000518521948 1069259911 /nfs/dbraw/zinc/25/99/11/1069259911.db2.gz TWTHKCOUKJKDCA-UHFFFAOYSA-N 0 0 473.536 0.755 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000518560724 1069263484 /nfs/dbraw/zinc/26/34/84/1069263484.db2.gz FOCJQFOIIGMSPP-UHFFFAOYSA-N 0 0 468.539 0.475 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)c2)CC1 ZINC000518561097 1069263562 /nfs/dbraw/zinc/26/35/62/1069263562.db2.gz NKATVVNBXCTSSG-UHFFFAOYSA-N 0 0 497.581 0.177 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 ZINC000518563795 1069261760 /nfs/dbraw/zinc/26/17/60/1069261760.db2.gz SPBSVFWOUQEPNJ-UHFFFAOYSA-N 0 0 469.542 0.635 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 ZINC000518577616 1069265511 /nfs/dbraw/zinc/26/55/11/1069265511.db2.gz YDVWKFDXFOFYBV-UHFFFAOYSA-N 0 0 485.566 0.798 20 30 JCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000518579628 1069263537 /nfs/dbraw/zinc/26/35/37/1069263537.db2.gz JIOHWMXWVORGLP-UHFFFAOYSA-N 0 0 457.512 0.892 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)C1CCC1 ZINC000518593049 1069266575 /nfs/dbraw/zinc/26/65/75/1069266575.db2.gz WUKCLONWSOJCIY-UHFFFAOYSA-N 0 0 467.519 0.609 20 30 JCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000518593181 1069266441 /nfs/dbraw/zinc/26/64/41/1069266441.db2.gz BYPKJNCKDNTOTM-UHFFFAOYSA-N 0 0 486.554 0.559 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000518594982 1069267383 /nfs/dbraw/zinc/26/73/83/1069267383.db2.gz DSHUQSVSJKBKFA-HNNXBMFYSA-N 0 0 492.548 0.174 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000518594983 1069267349 /nfs/dbraw/zinc/26/73/49/1069267349.db2.gz DSHUQSVSJKBKFA-OAHLLOKOSA-N 0 0 492.548 0.174 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000518596007 1069267396 /nfs/dbraw/zinc/26/73/96/1069267396.db2.gz PSHNVJABCAIMOV-UHFFFAOYSA-N 0 0 463.506 0.976 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)CC1 ZINC000518600218 1069269379 /nfs/dbraw/zinc/26/93/79/1069269379.db2.gz LJSYYLHNYFBOQI-UHFFFAOYSA-N 0 0 497.581 0.177 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000518604553 1069270159 /nfs/dbraw/zinc/27/01/59/1069270159.db2.gz HSQJGEXFUNXZCN-UHFFFAOYSA-N 0 0 453.543 0.862 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000518637940 1069272717 /nfs/dbraw/zinc/27/27/17/1069272717.db2.gz GBHYDGZFCXDUCC-RUZDIDTESA-N 0 0 489.576 0.946 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000518637941 1069272501 /nfs/dbraw/zinc/27/25/01/1069272501.db2.gz GBHYDGZFCXDUCC-VWLOTQADSA-N 0 0 489.576 0.946 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000518665877 1069279551 /nfs/dbraw/zinc/27/95/51/1069279551.db2.gz UZIWGPZTRFITQO-INIZCTEOSA-N 0 0 491.522 0.716 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000518665878 1069279414 /nfs/dbraw/zinc/27/94/14/1069279414.db2.gz UZIWGPZTRFITQO-MRXNPFEDSA-N 0 0 491.522 0.716 20 30 JCEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000518674778 1069599163 /nfs/dbraw/zinc/59/91/63/1069599163.db2.gz LBHHHCMWUZTZIO-UHFFFAOYSA-N 0 0 458.280 0.894 20 30 JCEDRN N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000518676720 1069281080 /nfs/dbraw/zinc/28/10/80/1069281080.db2.gz NSMBYOHLQUUWLP-UHFFFAOYSA-N 0 0 459.528 0.160 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1S(=O)(=O)NCC#N ZINC000518687748 1069282738 /nfs/dbraw/zinc/28/27/38/1069282738.db2.gz BTVXKIABHRXNLF-UHFFFAOYSA-N 0 0 487.563 0.815 20 30 JCEDRN CN(CC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F)S(=O)(=O)c1ccc(C#N)cc1 ZINC000518689497 1069281227 /nfs/dbraw/zinc/28/12/27/1069281227.db2.gz FXUYJVWIVXOQER-UHFFFAOYSA-N 0 0 461.475 0.562 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)s1 ZINC000518704491 1069284340 /nfs/dbraw/zinc/28/43/40/1069284340.db2.gz ORRMYCDVVVRKSM-UHFFFAOYSA-N 0 0 482.587 0.887 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCN1CCOCC1 ZINC000518705317 1069284697 /nfs/dbraw/zinc/28/46/97/1069284697.db2.gz RZQNJRUEBCFVEE-UHFFFAOYSA-N 0 0 460.625 0.895 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)s1 ZINC000518706260 1069285233 /nfs/dbraw/zinc/28/52/33/1069285233.db2.gz YAPOZSPURBWBKF-UHFFFAOYSA-N 0 0 460.625 0.894 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 ZINC000518711125 1069285246 /nfs/dbraw/zinc/28/52/46/1069285246.db2.gz SLPIXHFOIFXRCA-UHFFFAOYSA-N 0 0 480.568 0.652 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1C ZINC000518712805 1069283493 /nfs/dbraw/zinc/28/34/93/1069283493.db2.gz BUELZBOWRNXPOL-UHFFFAOYSA-N 0 0 476.624 0.351 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000518715356 1069283993 /nfs/dbraw/zinc/28/39/93/1069283993.db2.gz GDBDAYBJYKVTLP-UHFFFAOYSA-N 0 0 473.461 0.982 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000518715481 1069284678 /nfs/dbraw/zinc/28/46/78/1069284678.db2.gz RWJHMBDCTMYPCH-UHFFFAOYSA-N 0 0 473.461 0.983 20 30 JCEDRN Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)NCC#N ZINC000518716837 1069288879 /nfs/dbraw/zinc/28/88/79/1069288879.db2.gz MHWTZKMJRALEAO-UHFFFAOYSA-N 0 0 450.542 0.977 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cs1 ZINC000518718301 1069288942 /nfs/dbraw/zinc/28/89/42/1069288942.db2.gz KHBODJYVGSFJSZ-UHFFFAOYSA-N 0 0 459.597 0.215 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C1CC1 ZINC000518718336 1069288680 /nfs/dbraw/zinc/28/86/80/1069288680.db2.gz LXNMKGAIUCWEQQ-UHFFFAOYSA-N 0 0 494.617 0.985 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000518720122 1069285765 /nfs/dbraw/zinc/28/57/65/1069285765.db2.gz GRBRTDJTQWKVJS-UHFFFAOYSA-N 0 0 482.606 0.673 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)(C)C)n2)c(=O)n1CCN1CCOCC1 ZINC000518720229 1069285489 /nfs/dbraw/zinc/28/54/89/1069285489.db2.gz KCGSESLWNXKFHP-UHFFFAOYSA-N 0 0 487.651 0.801 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)CCC2 ZINC000518724041 1069287396 /nfs/dbraw/zinc/28/73/96/1069287396.db2.gz ARGYSIGEOSZTAL-HNNXBMFYSA-N 0 0 463.563 0.775 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)CCC2 ZINC000518724042 1069287641 /nfs/dbraw/zinc/28/76/41/1069287641.db2.gz ARGYSIGEOSZTAL-OAHLLOKOSA-N 0 0 463.563 0.775 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@@H]1CCCO1 ZINC000518729729 1069288053 /nfs/dbraw/zinc/28/80/53/1069288053.db2.gz WDFJDCQRPWRCBH-KRWDZBQOSA-N 0 0 464.547 0.903 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@H]1CCCO1 ZINC000518729730 1069288305 /nfs/dbraw/zinc/28/83/05/1069288305.db2.gz WDFJDCQRPWRCBH-QGZVFWFLSA-N 0 0 464.547 0.903 20 30 JCEDRN N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000518729957 1069289758 /nfs/dbraw/zinc/28/97/58/1069289758.db2.gz IQBDZYDABUBGTB-UHFFFAOYSA-N 0 0 456.480 0.801 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ccc1F ZINC000518731668 1069289983 /nfs/dbraw/zinc/28/99/83/1069289983.db2.gz DRKXWDQIHSPYLR-UHFFFAOYSA-N 0 0 480.499 0.723 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccnc3ccccc23)sc1=C(C#N)C(=O)NCCOC ZINC000518743183 1069289398 /nfs/dbraw/zinc/28/93/98/1069289398.db2.gz PQRWUPWDDNANEN-UHFFFAOYSA-N 0 0 452.536 0.760 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000518744334 1069289753 /nfs/dbraw/zinc/28/97/53/1069289753.db2.gz MYDXTDPRBVTWJT-UHFFFAOYSA-N 0 0 477.590 0.819 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000518744391 1069290027 /nfs/dbraw/zinc/29/00/27/1069290027.db2.gz PXOKJDSKYBNNGV-UHFFFAOYSA-N 0 0 475.574 0.572 20 30 JCEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000518749295 1069294141 /nfs/dbraw/zinc/29/41/41/1069294141.db2.gz YURZDIFVKFOBKQ-INIZCTEOSA-N 0 0 473.555 0.549 20 30 JCEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000518749296 1069294228 /nfs/dbraw/zinc/29/42/28/1069294228.db2.gz YURZDIFVKFOBKQ-MRXNPFEDSA-N 0 0 473.555 0.549 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000518763592 1069294124 /nfs/dbraw/zinc/29/41/24/1069294124.db2.gz ALMKAWKZVVEUBY-BZSNNMDCSA-N 0 0 450.605 0.730 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000518763593 1069293986 /nfs/dbraw/zinc/29/39/86/1069293986.db2.gz ALMKAWKZVVEUBY-FGTMMUONSA-N 0 0 450.605 0.730 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000518763594 1069293996 /nfs/dbraw/zinc/29/39/96/1069293996.db2.gz ALMKAWKZVVEUBY-KSZLIROESA-N 0 0 450.605 0.730 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000518763595 1069294044 /nfs/dbraw/zinc/29/40/44/1069294044.db2.gz ALMKAWKZVVEUBY-KURKYZTESA-N 0 0 450.605 0.730 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000518822983 1069463723 /nfs/dbraw/zinc/46/37/23/1069463723.db2.gz NIIAEAHULNCFTJ-IBGZPJMESA-N 0 0 461.519 0.647 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000518822985 1069298844 /nfs/dbraw/zinc/29/88/44/1069298844.db2.gz NIIAEAHULNCFTJ-LJQANCHMSA-N 0 0 461.519 0.647 20 30 JCEDRN COCCOc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c1=O)OCO2 ZINC000518844361 1069299449 /nfs/dbraw/zinc/29/94/49/1069299449.db2.gz CYRZFBFOLXYKEI-UHFFFAOYSA-N 0 0 469.519 0.780 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OCCOC)OCO3)c(=O)n1C1CC1 ZINC000518844453 1069299359 /nfs/dbraw/zinc/29/93/59/1069299359.db2.gz MTIRGWKFSNTLNB-UHFFFAOYSA-N 0 0 469.519 0.804 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OCCOC)OCO3)sc1=C(C#N)C(=O)NCCC ZINC000518844516 1069299509 /nfs/dbraw/zinc/29/95/09/1069299509.db2.gz RSCQPWKTHSIBLG-UHFFFAOYSA-N 0 0 471.535 0.879 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OCCOC)OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000518844528 1069299424 /nfs/dbraw/zinc/29/94/24/1069299424.db2.gz TYVASBOGPSONTR-UHFFFAOYSA-N 0 0 499.545 0.212 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000518871830 1069300511 /nfs/dbraw/zinc/30/05/11/1069300511.db2.gz PRVASSFLXPPFNC-GOSISDBHSA-N 0 0 466.494 0.982 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000518871831 1069300424 /nfs/dbraw/zinc/30/04/24/1069300424.db2.gz PRVASSFLXPPFNC-SFHVURJKSA-N 0 0 466.494 0.982 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000518905505 1069303918 /nfs/dbraw/zinc/30/39/18/1069303918.db2.gz HPECEXSUQUSOER-UHFFFAOYSA-N 0 0 492.460 0.967 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1=C(C#N)C(=O)NCCOC ZINC000518905572 1069303689 /nfs/dbraw/zinc/30/36/89/1069303689.db2.gz QNTYZEPRHRFPOF-UHFFFAOYSA-N 0 0 480.449 0.871 20 30 JCEDRN Cn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000518906471 1069303829 /nfs/dbraw/zinc/30/38/29/1069303829.db2.gz OTGDEPYTDXUGBK-UHFFFAOYSA-N 0 0 466.422 0.318 20 30 JCEDRN CCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000518907413 1069303848 /nfs/dbraw/zinc/30/38/48/1069303848.db2.gz DXEVYKDJKVMOHC-UHFFFAOYSA-N 0 0 480.449 0.801 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000518943244 1069305396 /nfs/dbraw/zinc/30/53/96/1069305396.db2.gz COGLSPUVORFCNE-UHFFFAOYSA-N 0 0 491.552 0.303 20 30 JCEDRN C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 ZINC000519000541 1069306529 /nfs/dbraw/zinc/30/65/29/1069306529.db2.gz MCCNRKCWPCLUTH-UHFFFAOYSA-N 0 0 454.549 0.802 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000519061610 1069309566 /nfs/dbraw/zinc/30/95/66/1069309566.db2.gz VVJLLJXJSIYQAS-UHFFFAOYSA-N 0 0 467.507 0.870 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000519069289 1069311158 /nfs/dbraw/zinc/31/11/58/1069311158.db2.gz IBDRSWXUVAXUPE-UHFFFAOYSA-N 0 0 455.496 0.058 20 30 JCEDRN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000519081173 1069313061 /nfs/dbraw/zinc/31/30/61/1069313061.db2.gz PQVWGHPAARNFGX-UHFFFAOYSA-N 0 0 454.512 0.999 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)C1=O ZINC000519090370 1069312068 /nfs/dbraw/zinc/31/20/68/1069312068.db2.gz IQZDYOBZFLRYRA-UHFFFAOYSA-N 0 0 481.431 0.765 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3cccc(S(=O)(=O)NC)c3)cc2C1=O ZINC000519139417 1069317551 /nfs/dbraw/zinc/31/75/51/1069317551.db2.gz MCVYWCCBLRQOON-UHFFFAOYSA-N 0 0 456.480 0.745 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000519150122 1069321104 /nfs/dbraw/zinc/32/11/04/1069321104.db2.gz HGXGYIROIWXUBO-UHFFFAOYSA-N 0 0 468.513 0.767 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000519285872 1069331058 /nfs/dbraw/zinc/33/10/58/1069331058.db2.gz BGAMZOXAYQXMRI-UHFFFAOYSA-N 0 0 476.961 0.840 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCN1CCOCC1 ZINC000519286331 1069330929 /nfs/dbraw/zinc/33/09/29/1069330929.db2.gz RTLNQSCDNKTALO-UHFFFAOYSA-N 0 0 482.606 0.834 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)cc1 ZINC000519355809 1069337949 /nfs/dbraw/zinc/33/79/49/1069337949.db2.gz OBEJEIXEYMCLFF-UHFFFAOYSA-N 0 0 480.568 0.526 20 30 JCEDRN C=CCn1c(SCCNS(C)(=O)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000519364036 1069339910 /nfs/dbraw/zinc/33/99/10/1069339910.db2.gz QTKBETBYXIZECN-UHFFFAOYSA-N 0 0 487.629 0.793 20 30 JCEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)c2)c1 ZINC000519441563 1069344366 /nfs/dbraw/zinc/34/43/66/1069344366.db2.gz MXMFCPKMZMXQEJ-UHFFFAOYSA-N 0 0 462.462 0.870 20 30 JCEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000519456643 1069345377 /nfs/dbraw/zinc/34/53/77/1069345377.db2.gz NPDXAYSQPVJKDB-KRWDZBQOSA-N 0 0 465.576 0.096 20 30 JCEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000519456644 1069345170 /nfs/dbraw/zinc/34/51/70/1069345170.db2.gz NPDXAYSQPVJKDB-QGZVFWFLSA-N 0 0 465.576 0.096 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000519484199 1069349457 /nfs/dbraw/zinc/34/94/57/1069349457.db2.gz YNKPIZZZRUNIAV-UHFFFAOYSA-N 0 0 455.515 0.243 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1C ZINC000519493093 1069350486 /nfs/dbraw/zinc/35/04/86/1069350486.db2.gz GWGVRCQFEJWUQO-UHFFFAOYSA-N 0 0 462.597 0.104 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 ZINC000519493416 1069350422 /nfs/dbraw/zinc/35/04/22/1069350422.db2.gz WURPFTWXRVWLEV-KRWDZBQOSA-N 0 0 464.544 0.671 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 ZINC000519493417 1069350566 /nfs/dbraw/zinc/35/05/66/1069350566.db2.gz WURPFTWXRVWLEV-QGZVFWFLSA-N 0 0 464.544 0.671 20 30 JCEDRN Cc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1S(=O)(=O)NCC#N ZINC000519494140 1069350410 /nfs/dbraw/zinc/35/04/10/1069350410.db2.gz KSAVFZHBGSNCEO-UHFFFAOYSA-N 0 0 450.542 0.646 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@H]1CCCO1 ZINC000519506052 1069352609 /nfs/dbraw/zinc/35/26/09/1069352609.db2.gz JAQPCYNPMFOFJR-GOSISDBHSA-N 0 0 476.558 0.999 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@@H]1CCCO1 ZINC000519506053 1069352345 /nfs/dbraw/zinc/35/23/45/1069352345.db2.gz JAQPCYNPMFOFJR-SFHVURJKSA-N 0 0 476.558 0.999 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3C#N)c2)c(=O)n1CC(N)=O ZINC000519506746 1069352511 /nfs/dbraw/zinc/35/25/11/1069352511.db2.gz ABBUCECFZQKUOI-UHFFFAOYSA-N 0 0 499.552 0.651 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000519508763 1069353064 /nfs/dbraw/zinc/35/30/64/1069353064.db2.gz KTUZXXPHNNFVII-UHFFFAOYSA-N 0 0 462.509 0.584 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000519632154 1069402761 /nfs/dbraw/zinc/40/27/61/1069402761.db2.gz ARAKXVKOEZRURL-UHFFFAOYSA-N 0 0 459.366 0.174 20 30 JCEDRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000519879145 1069404540 /nfs/dbraw/zinc/40/45/40/1069404540.db2.gz BUXNQBSUNIFRIH-UHFFFAOYSA-N 0 0 478.509 0.722 20 30 JCEDRN N#Cc1cccc(CNC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 ZINC000519887916 1069407302 /nfs/dbraw/zinc/40/73/02/1069407302.db2.gz BZGSGSZMKYYKRG-UHFFFAOYSA-N 0 0 456.484 0.069 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519898630 1069406017 /nfs/dbraw/zinc/40/60/17/1069406017.db2.gz HRYHKVNHOCMQGV-GOSISDBHSA-N 0 0 465.558 0.556 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519898631 1069406057 /nfs/dbraw/zinc/40/60/57/1069406057.db2.gz HRYHKVNHOCMQGV-SFHVURJKSA-N 0 0 465.558 0.556 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCS(=O)(=O)NC(C)C)n2c2ccccc2c1=O ZINC000519899476 1069405862 /nfs/dbraw/zinc/40/58/62/1069405862.db2.gz KTADAWDDPFYGCR-UHFFFAOYSA-N 0 0 464.573 0.766 20 30 JCEDRN CCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1=C(C#N)C(=O)NCCOC ZINC000519946648 1069410508 /nfs/dbraw/zinc/41/05/08/1069410508.db2.gz HHVTWVMKAWOOIC-UHFFFAOYSA-N 0 0 468.438 0.705 20 30 JCEDRN CN(CC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000519958174 1069414063 /nfs/dbraw/zinc/41/40/63/1069414063.db2.gz HXMVNMLZIDNGBC-UHFFFAOYSA-N 0 0 485.566 0.879 20 30 JCEDRN CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1OCC ZINC000519966904 1069414702 /nfs/dbraw/zinc/41/47/02/1069414702.db2.gz BJSGNFBQMAUJOT-UHFFFAOYSA-N 0 0 460.578 0.881 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000520056146 1069425486 /nfs/dbraw/zinc/42/54/86/1069425486.db2.gz GHEVAGGGFOZVGZ-UHFFFAOYSA-N 0 0 477.568 0.553 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000520057999 1069425454 /nfs/dbraw/zinc/42/54/54/1069425454.db2.gz JVKUOUPYMISTRK-UHFFFAOYSA-N 0 0 459.488 0.672 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000520058023 1069425311 /nfs/dbraw/zinc/42/53/11/1069425311.db2.gz KRYYCJATHXTOAK-UHFFFAOYSA-N 0 0 459.488 0.672 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520058697 1069426100 /nfs/dbraw/zinc/42/61/00/1069426100.db2.gz UFTHWHUGCJGUIL-UHFFFAOYSA-N 0 0 459.488 0.672 20 30 JCEDRN CCOC(=O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(C)C ZINC000520059487 1069427714 /nfs/dbraw/zinc/42/77/14/1069427714.db2.gz DRNIIDOPZDNOJP-UHFFFAOYSA-N 0 0 450.561 0.912 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000520064384 1069427884 /nfs/dbraw/zinc/42/78/84/1069427884.db2.gz FSLVXEZXTDQQQS-UHFFFAOYSA-N 0 0 498.649 0.905 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000520064453 1069427937 /nfs/dbraw/zinc/42/79/37/1069427937.db2.gz IWQREQSAFHRNBR-UHFFFAOYSA-N 0 0 454.596 0.888 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 ZINC000520064543 1069427797 /nfs/dbraw/zinc/42/77/97/1069427797.db2.gz NJPFTQGUOTWYRS-UHFFFAOYSA-N 0 0 456.568 0.185 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OC(C)C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000520064570 1069427898 /nfs/dbraw/zinc/42/78/98/1069427898.db2.gz PFFHDDLOEIGVOX-UHFFFAOYSA-N 0 0 482.606 0.834 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000520064719 1069427767 /nfs/dbraw/zinc/42/77/67/1069427767.db2.gz ZRIGWTDTQHITJB-UHFFFAOYSA-N 0 0 454.596 0.887 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000520065226 1069427821 /nfs/dbraw/zinc/42/78/21/1069427821.db2.gz MFACBXBVBQWIDU-UHFFFAOYSA-N 0 0 494.976 0.300 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(OCC(F)(F)F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000520065467 1069427837 /nfs/dbraw/zinc/42/78/37/1069427837.db2.gz CVDWZOHFLKUGTD-UHFFFAOYSA-N 0 0 496.511 0.339 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1C1CC1 ZINC000520066082 1069427904 /nfs/dbraw/zinc/42/79/04/1069427904.db2.gz VSSCLLSBXFIEHV-UHFFFAOYSA-N 0 0 476.961 0.989 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000520082876 1069431007 /nfs/dbraw/zinc/43/10/07/1069431007.db2.gz YYHLFRGOIBBEMX-UHFFFAOYSA-N 0 0 491.552 0.637 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000520083863 1069431624 /nfs/dbraw/zinc/43/16/24/1069431624.db2.gz AKMBSSNTAWHCLA-UHFFFAOYSA-N 0 0 491.552 0.637 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3-n3ccnn3)CC2)cc1 ZINC000520085005 1069431483 /nfs/dbraw/zinc/43/14/83/1069431483.db2.gz MKXMTBREEXYNIZ-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000520105127 1069434407 /nfs/dbraw/zinc/43/44/07/1069434407.db2.gz URAHTCNKGQWGLS-UHFFFAOYSA-N 0 0 496.568 0.032 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000520106090 1069436824 /nfs/dbraw/zinc/43/68/24/1069436824.db2.gz XBASAZAHLYCGIM-UHFFFAOYSA-N 0 0 493.564 0.693 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000520106405 1069437619 /nfs/dbraw/zinc/43/76/19/1069437619.db2.gz LLYZFBUSNCNYMB-UHFFFAOYSA-N 0 0 499.593 0.755 20 30 JCEDRN CCN(CC#N)C(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000520109080 1069437731 /nfs/dbraw/zinc/43/77/31/1069437731.db2.gz KTJDSIAGGOCUQV-UHFFFAOYSA-N 0 0 470.573 0.760 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000520165374 1069443596 /nfs/dbraw/zinc/44/35/96/1069443596.db2.gz RYEZRJAEILCCSV-UHFFFAOYSA-N 0 0 471.451 0.907 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000520198881 1069445435 /nfs/dbraw/zinc/44/54/35/1069445435.db2.gz JMHDZGJCIBTXNE-UHFFFAOYSA-N 0 0 499.505 0.369 20 30 JCEDRN C=CCN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520198922 1069445480 /nfs/dbraw/zinc/44/54/80/1069445480.db2.gz KZVWZRUJWXATPY-AWEZNQCLSA-N 0 0 489.496 0.322 20 30 JCEDRN C=CCN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520198923 1069445464 /nfs/dbraw/zinc/44/54/64/1069445464.db2.gz KZVWZRUJWXATPY-CQSZACIVSA-N 0 0 489.496 0.322 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000520335008 1069448461 /nfs/dbraw/zinc/44/84/61/1069448461.db2.gz CPQLZHBJGQOFTB-UHFFFAOYSA-N 0 0 493.541 0.944 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)cc1 ZINC000520335506 1069449060 /nfs/dbraw/zinc/44/90/60/1069449060.db2.gz ARTACWHRDZGULX-UHFFFAOYSA-N 0 0 493.541 0.815 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CCc1ccccn1 ZINC000520335712 1069448543 /nfs/dbraw/zinc/44/85/43/1069448543.db2.gz ZBPZSCOOPNZXCV-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OCCOC)OCO3)c(=O)n1CC=C ZINC000520398333 1069451410 /nfs/dbraw/zinc/45/14/10/1069451410.db2.gz CNVBHVCSNYFWLD-UHFFFAOYSA-N 0 0 469.519 0.655 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OCCOC)OCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000520398413 1069450953 /nfs/dbraw/zinc/45/09/53/1069450953.db2.gz MNSPRRIRPMVETG-UHFFFAOYSA-N 0 0 483.546 0.975 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CC)CC2)cc1 ZINC000520414837 1069453226 /nfs/dbraw/zinc/45/32/26/1069453226.db2.gz OXFPAMPQAHAYFE-UHFFFAOYSA-N 0 0 472.589 0.362 20 30 JCEDRN C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000520421429 1069452000 /nfs/dbraw/zinc/45/20/00/1069452000.db2.gz CLOJFNDBIBPVCG-GOSISDBHSA-N 0 0 469.585 0.355 20 30 JCEDRN C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000520421436 1069452043 /nfs/dbraw/zinc/45/20/43/1069452043.db2.gz CLOJFNDBIBPVCG-SFHVURJKSA-N 0 0 469.585 0.355 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(C#N)cc1 ZINC000520424273 1069452702 /nfs/dbraw/zinc/45/27/02/1069452702.db2.gz AVDUQKJEFAYMGD-AWEZNQCLSA-N 0 0 455.496 0.495 20 30 JCEDRN C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(C#N)cc1 ZINC000520424274 1069452424 /nfs/dbraw/zinc/45/24/24/1069452424.db2.gz AVDUQKJEFAYMGD-CQSZACIVSA-N 0 0 455.496 0.495 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccc(OC)cc2)cc1 ZINC000520432114 1069459099 /nfs/dbraw/zinc/45/90/99/1069459099.db2.gz NLMAMERGFSAMHK-UHFFFAOYSA-N 0 0 474.539 0.873 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C ZINC000520465562 1069463691 /nfs/dbraw/zinc/46/36/91/1069463691.db2.gz ABJCYFBCLVQHCH-UHFFFAOYSA-N 0 0 468.438 0.612 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)nc1 ZINC000520484457 1069467846 /nfs/dbraw/zinc/46/78/46/1069467846.db2.gz NEQWTHGUOOPFDF-UHFFFAOYSA-N 0 0 491.552 0.303 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)c1 ZINC000520484602 1069468419 /nfs/dbraw/zinc/46/84/19/1069468419.db2.gz VXXGAHSYVLWJNK-UHFFFAOYSA-N 0 0 491.552 0.303 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)C1=O ZINC000520538099 1069479982 /nfs/dbraw/zinc/47/99/82/1069479982.db2.gz ZYGKEARKHPJUOZ-UHFFFAOYSA-N 0 0 469.527 0.776 20 30 JCEDRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 ZINC000520546768 1069481125 /nfs/dbraw/zinc/48/11/25/1069481125.db2.gz ZAUSRIRWLAAZJW-UHFFFAOYSA-N 0 0 469.527 0.813 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000520594401 1069487132 /nfs/dbraw/zinc/48/71/32/1069487132.db2.gz PCIXNPBLPKYFJN-UHFFFAOYSA-N 0 0 455.515 0.625 20 30 JCEDRN CC(=O)Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 ZINC000520623599 1069491386 /nfs/dbraw/zinc/49/13/86/1069491386.db2.gz NBBBLNCFAGJYKW-UHFFFAOYSA-N 0 0 466.570 0.993 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000520624531 1069491317 /nfs/dbraw/zinc/49/13/17/1069491317.db2.gz LQSQGCARIYFPSX-UHFFFAOYSA-N 0 0 488.585 0.345 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)c(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000520625508 1069491376 /nfs/dbraw/zinc/49/13/76/1069491376.db2.gz LWSIDFPKYFGHHZ-UHFFFAOYSA-N 0 0 467.526 0.925 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000520625663 1069492016 /nfs/dbraw/zinc/49/20/16/1069492016.db2.gz VPHHPOLXFGWCCJ-UHFFFAOYSA-N 0 0 458.559 0.719 20 30 JCEDRN COCCn1cnc2c1c(=O)n(CC(=O)N(C)C1(C#N)CCC1)c(=O)n2Cc1ccccc1 ZINC000520721747 1069501884 /nfs/dbraw/zinc/50/18/84/1069501884.db2.gz RGJCEEIHSFUDAI-UHFFFAOYSA-N 0 0 450.499 0.959 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000520730510 1069501996 /nfs/dbraw/zinc/50/19/96/1069501996.db2.gz XCMBJQPCHNUQQY-UHFFFAOYSA-N 0 0 468.513 0.767 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O ZINC000520754149 1069503980 /nfs/dbraw/zinc/50/39/80/1069503980.db2.gz ITALHHKAWGOUAV-UHFFFAOYSA-N 0 0 484.550 0.012 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCCC(=O)OC ZINC000520755583 1069503936 /nfs/dbraw/zinc/50/39/36/1069503936.db2.gz RBENDILLPNDDDH-UHFFFAOYSA-N 0 0 465.478 0.407 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000520756735 1069504032 /nfs/dbraw/zinc/50/40/32/1069504032.db2.gz VGUIFRXQEPZTHN-UHFFFAOYSA-N 0 0 492.548 0.176 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000520759986 1069504953 /nfs/dbraw/zinc/50/49/53/1069504953.db2.gz IWZHFQSJGKLTPI-UHFFFAOYSA-N 0 0 475.571 0.156 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c(Cl)c1OC ZINC000520763784 1069505548 /nfs/dbraw/zinc/50/55/48/1069505548.db2.gz AZVXAPNFMAFXHZ-UHFFFAOYSA-N 0 0 490.969 0.628 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c(Cl)c1OC ZINC000520763863 1069505694 /nfs/dbraw/zinc/50/56/94/1069505694.db2.gz FYKQSTWGNMYIKM-UHFFFAOYSA-N 0 0 476.942 0.191 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000520835476 1069531195 /nfs/dbraw/zinc/53/11/95/1069531195.db2.gz NWPNNMVKRHDGKJ-UHFFFAOYSA-N 0 0 472.498 0.462 20 30 JCEDRN Cc1ccc(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N ZINC000520859493 1069531562 /nfs/dbraw/zinc/53/15/62/1069531562.db2.gz SOMSACDFPFESEG-FQEVSTJZSA-N 0 0 455.540 0.781 20 30 JCEDRN Cc1ccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N ZINC000520859494 1069531764 /nfs/dbraw/zinc/53/17/64/1069531764.db2.gz SOMSACDFPFESEG-HXUWFJFHSA-N 0 0 455.540 0.781 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000520866912 1069532585 /nfs/dbraw/zinc/53/25/85/1069532585.db2.gz HGMILSPCQNIFEL-UHFFFAOYSA-N 0 0 466.607 0.984 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(C)cc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000520868418 1069533180 /nfs/dbraw/zinc/53/31/80/1069533180.db2.gz ABGIKQXNONKJLA-UHFFFAOYSA-N 0 0 454.596 0.888 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000520868681 1069533046 /nfs/dbraw/zinc/53/30/46/1069533046.db2.gz PWULZKWNZDOYAO-UHFFFAOYSA-N 0 0 476.961 0.840 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CCN1CCOCC1 ZINC000520868684 1069533160 /nfs/dbraw/zinc/53/31/60/1069533160.db2.gz PZUDACRLBTUCII-UHFFFAOYSA-N 0 0 496.511 0.432 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000520868740 1069533241 /nfs/dbraw/zinc/53/32/41/1069533241.db2.gz UPUPTQGJLHJIBM-UHFFFAOYSA-N 0 0 476.961 0.816 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCCC(=O)OC ZINC000520868821 1069533260 /nfs/dbraw/zinc/53/32/60/1069533260.db2.gz YYXPFTSUOHNRIV-UHFFFAOYSA-N 0 0 457.552 0.746 20 30 JCEDRN CCN1CCN(C(=O)CC2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000520871099 1069533633 /nfs/dbraw/zinc/53/36/33/1069533633.db2.gz WZTHBFPXMYQGJP-UHFFFAOYSA-N 0 0 475.615 0.972 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)c1C ZINC000520882071 1069533780 /nfs/dbraw/zinc/53/37/80/1069533780.db2.gz OLQVDUHEDBPGDR-UHFFFAOYSA-N 0 0 482.606 0.221 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCN1CCOCC1 ZINC000520883694 1069533829 /nfs/dbraw/zinc/53/38/29/1069533829.db2.gz SWQBZGZXARWFGP-UHFFFAOYSA-N 0 0 458.609 0.671 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000520883844 1069533697 /nfs/dbraw/zinc/53/36/97/1069533697.db2.gz YDLBYORFGQVKDV-UHFFFAOYSA-N 0 0 470.595 0.125 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1C ZINC000520893962 1069533763 /nfs/dbraw/zinc/53/37/63/1069533763.db2.gz FVJFVPSWDSNUOO-UHFFFAOYSA-N 0 0 488.635 0.638 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cccc(OC)c2)cc1 ZINC000520894513 1069533792 /nfs/dbraw/zinc/53/37/92/1069533792.db2.gz YUVISCXCFAWJAM-UHFFFAOYSA-N 0 0 474.539 0.986 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000520894965 1069533664 /nfs/dbraw/zinc/53/36/64/1069533664.db2.gz VPHMNEZEMGBMOT-UHFFFAOYSA-N 0 0 468.626 0.111 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000520897222 1069536916 /nfs/dbraw/zinc/53/69/16/1069536916.db2.gz SOTMCANJBDPETL-UHFFFAOYSA-N 0 0 453.611 0.811 20 30 JCEDRN Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)NCC#N ZINC000520899505 1069537490 /nfs/dbraw/zinc/53/74/90/1069537490.db2.gz MKUCZBDIZNXJPH-UHFFFAOYSA-N 0 0 469.567 0.871 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccnc3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000520914656 1069539393 /nfs/dbraw/zinc/53/93/93/1069539393.db2.gz UCEMEVLGNBRIHD-UHFFFAOYSA-N 0 0 477.590 0.819 20 30 JCEDRN C=CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520926127 1069538482 /nfs/dbraw/zinc/53/84/82/1069538482.db2.gz ORJKSIYCSRQOSH-KVSKMBFKSA-N 0 0 458.544 0.774 20 30 JCEDRN C=CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520926128 1069538392 /nfs/dbraw/zinc/53/83/92/1069538392.db2.gz ORJKSIYCSRQOSH-SUMDDJOVSA-N 0 0 458.544 0.774 20 30 JCEDRN C=CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520926129 1069538448 /nfs/dbraw/zinc/53/84/48/1069538448.db2.gz ORJKSIYCSRQOSH-SZVBFZGTSA-N 0 0 458.544 0.774 20 30 JCEDRN C=CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520926130 1069538281 /nfs/dbraw/zinc/53/82/81/1069538281.db2.gz ORJKSIYCSRQOSH-WDYCEAGBSA-N 0 0 458.544 0.774 20 30 JCEDRN CN(CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000520981244 1069547669 /nfs/dbraw/zinc/54/76/69/1069547669.db2.gz XGXMMNBQIPVWAH-UHFFFAOYSA-N 0 0 455.540 0.644 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2cc(C)ccc2F)CC1 ZINC000520985520 1069546300 /nfs/dbraw/zinc/54/63/00/1069546300.db2.gz HNQWZKDLSIIXMN-UHFFFAOYSA-N 0 0 480.569 0.747 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000520988148 1069546536 /nfs/dbraw/zinc/54/65/36/1069546536.db2.gz XVCGTMYWXQASML-UHFFFAOYSA-N 0 0 493.564 0.693 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000520989242 1069546224 /nfs/dbraw/zinc/54/62/24/1069546224.db2.gz YTCBRHDWHZZLCW-UHFFFAOYSA-N 0 0 482.537 0.891 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(CC#N)C1CC1 ZINC000521001771 1069547584 /nfs/dbraw/zinc/54/75/84/1069547584.db2.gz MUVVDUFDEWHOOA-UHFFFAOYSA-N 0 0 482.584 0.902 20 30 JCEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000521116901 1069555828 /nfs/dbraw/zinc/55/58/28/1069555828.db2.gz JZGNMZPKRRSPKB-UHFFFAOYSA-N 0 0 452.427 0.694 20 30 JCEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000521117629 1069555810 /nfs/dbraw/zinc/55/58/10/1069555810.db2.gz ADVKBHRZGHXZIX-UHFFFAOYSA-N 0 0 481.534 0.832 20 30 JCEDRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000521118965 1069555690 /nfs/dbraw/zinc/55/56/90/1069555690.db2.gz GVKJZKCVPHNRHE-UHFFFAOYSA-N 0 0 478.509 0.722 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000521175904 1069557681 /nfs/dbraw/zinc/55/76/81/1069557681.db2.gz DSBAWRKVUFGVKK-KRWDZBQOSA-N 0 0 483.548 0.695 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000521175905 1069558083 /nfs/dbraw/zinc/55/80/83/1069558083.db2.gz DSBAWRKVUFGVKK-QGZVFWFLSA-N 0 0 483.548 0.695 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1C#N ZINC000521190100 1069558688 /nfs/dbraw/zinc/55/86/88/1069558688.db2.gz IBKBIKPUYRTTTL-UHFFFAOYSA-N 0 0 464.528 0.423 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000521199085 1069560278 /nfs/dbraw/zinc/56/02/78/1069560278.db2.gz AMGKLEGPMALEQO-UHFFFAOYSA-N 0 0 468.513 0.767 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OCCOC)OCO3)sc1=C(C#N)C(=O)NC(C)C ZINC000521238828 1069561722 /nfs/dbraw/zinc/56/17/22/1069561722.db2.gz XHBRPWOXCRYSGU-UHFFFAOYSA-N 0 0 471.535 0.877 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2OCCOC)OCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000521241955 1069561586 /nfs/dbraw/zinc/56/15/86/1069561586.db2.gz JHNBLKDOSQFNPR-UHFFFAOYSA-N 0 0 471.535 0.855 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1S(=O)(=O)NCC#N ZINC000521270195 1069563096 /nfs/dbraw/zinc/56/30/96/1069563096.db2.gz OFCBWPDNAVPMEP-UHFFFAOYSA-N 0 0 480.554 0.731 20 30 JCEDRN COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000521286601 1069564259 /nfs/dbraw/zinc/56/42/59/1069564259.db2.gz CAILLHQVBZCWDF-UHFFFAOYSA-N 0 0 470.507 0.745 20 30 JCEDRN COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000521286654 1069564248 /nfs/dbraw/zinc/56/42/48/1069564248.db2.gz DKHMWNYQGLJBFX-UHFFFAOYSA-N 0 0 470.507 0.745 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)s1 ZINC000521287098 1069563649 /nfs/dbraw/zinc/56/36/49/1069563649.db2.gz LMKJMZNTFLVUNE-UHFFFAOYSA-N 0 0 458.609 0.648 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000521287298 1069564153 /nfs/dbraw/zinc/56/41/53/1069564153.db2.gz PBGDBJYJSRUHPG-GOSISDBHSA-N 0 0 484.622 0.513 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000521287299 1069564167 /nfs/dbraw/zinc/56/41/67/1069564167.db2.gz PBGDBJYJSRUHPG-SFHVURJKSA-N 0 0 484.622 0.513 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCNS(C)(=O)=O ZINC000521295651 1069566242 /nfs/dbraw/zinc/56/62/42/1069566242.db2.gz HONOFGUIRJLWCJ-UHFFFAOYSA-N 0 0 468.626 0.112 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000521295930 1069566317 /nfs/dbraw/zinc/56/63/17/1069566317.db2.gz SVSNBCJTLJTCSA-UHFFFAOYSA-N 0 0 482.653 0.358 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000521298468 1069566643 /nfs/dbraw/zinc/56/66/43/1069566643.db2.gz ZFGCWEOHOUWEBH-UHFFFAOYSA-N 0 0 464.544 0.671 20 30 JCEDRN COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000521329924 1069569059 /nfs/dbraw/zinc/56/90/59/1069569059.db2.gz UZZNDDPCZGGZJP-UHFFFAOYSA-N 0 0 486.506 0.810 20 30 JCEDRN CCOc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1OCC ZINC000521346071 1069570470 /nfs/dbraw/zinc/57/04/70/1069570470.db2.gz ZUCKKBCLJASMOX-UHFFFAOYSA-N 0 0 477.543 0.264 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000521361319 1069570111 /nfs/dbraw/zinc/57/01/11/1069570111.db2.gz IEHQEIZNXGEHCV-UHFFFAOYSA-N 0 0 471.539 0.811 20 30 JCEDRN CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000521422424 1069573338 /nfs/dbraw/zinc/57/33/38/1069573338.db2.gz XUFMRPGCFXQTJV-UHFFFAOYSA-N 0 0 462.553 0.955 20 30 JCEDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000521448220 1069576487 /nfs/dbraw/zinc/57/64/87/1069576487.db2.gz GFQHBFNMOLVDBG-INIZCTEOSA-N 0 0 454.487 0.876 20 30 JCEDRN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000521448230 1069576766 /nfs/dbraw/zinc/57/67/66/1069576766.db2.gz GFQHBFNMOLVDBG-MRXNPFEDSA-N 0 0 454.487 0.876 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1 ZINC000521465908 1069577644 /nfs/dbraw/zinc/57/76/44/1069577644.db2.gz KUBGLOVVOKPWBI-FQEVSTJZSA-N 0 0 453.543 0.916 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1 ZINC000521465910 1069577777 /nfs/dbraw/zinc/57/77/77/1069577777.db2.gz KUBGLOVVOKPWBI-HXUWFJFHSA-N 0 0 453.543 0.916 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000521469738 1069578166 /nfs/dbraw/zinc/57/81/66/1069578166.db2.gz OQQXTMFLGNCMFJ-UHFFFAOYSA-N 0 0 477.568 0.553 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000521476050 1069578711 /nfs/dbraw/zinc/57/87/11/1069578711.db2.gz HHYMFBZTJVLWJZ-UHFFFAOYSA-N 0 0 452.464 0.072 20 30 JCEDRN N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000521479063 1069577389 /nfs/dbraw/zinc/57/73/89/1069577389.db2.gz QNURREFSJRHSHY-UHFFFAOYSA-N 0 0 456.590 0.708 20 30 JCEDRN CN(CC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000521497341 1069579886 /nfs/dbraw/zinc/57/98/86/1069579886.db2.gz GMOQDQBDUVIDDH-UHFFFAOYSA-N 0 0 470.555 0.592 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000521498291 1069579823 /nfs/dbraw/zinc/57/98/23/1069579823.db2.gz IJVHZHJTBXPCPY-UHFFFAOYSA-N 0 0 482.606 0.221 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 ZINC000521498314 1069579938 /nfs/dbraw/zinc/57/99/38/1069579938.db2.gz KHZPXSGXOXGBMS-UHFFFAOYSA-N 0 0 482.606 0.983 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000521498335 1069580051 /nfs/dbraw/zinc/58/00/51/1069580051.db2.gz MBUBNUINBYUEAO-IBGZPJMESA-N 0 0 484.622 0.513 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000521498336 1069579951 /nfs/dbraw/zinc/57/99/51/1069579951.db2.gz MBUBNUINBYUEAO-LJQANCHMSA-N 0 0 484.622 0.513 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000521498410 1069579989 /nfs/dbraw/zinc/57/99/89/1069579989.db2.gz RJUFMYBIDNVZTO-UHFFFAOYSA-N 0 0 470.595 0.125 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000521498464 1069579982 /nfs/dbraw/zinc/57/99/82/1069579982.db2.gz WJJUDHHPSQIBOA-UHFFFAOYSA-N 0 0 452.580 0.664 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)cc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000521499364 1069579786 /nfs/dbraw/zinc/57/97/86/1069579786.db2.gz ODECAUBDPULYCG-UHFFFAOYSA-N 0 0 452.580 0.664 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000521500945 1069583192 /nfs/dbraw/zinc/58/31/92/1069583192.db2.gz VMXIBCKUTMJBOA-UHFFFAOYSA-N 0 0 450.923 0.284 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000521501111 1069582736 /nfs/dbraw/zinc/58/27/36/1069582736.db2.gz ZQXUTMHORDSCON-UHFFFAOYSA-N 0 0 464.950 0.674 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)ccc1F ZINC000521525170 1069584284 /nfs/dbraw/zinc/58/42/84/1069584284.db2.gz DNKWFZJBZQMTLW-UHFFFAOYSA-N 0 0 465.462 0.957 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000521527170 1069584876 /nfs/dbraw/zinc/58/48/76/1069584876.db2.gz GKEKCSSQCHYYAF-UHFFFAOYSA-N 0 0 480.587 0.326 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000521527502 1069584857 /nfs/dbraw/zinc/58/48/57/1069584857.db2.gz ZHIOHWDOPXZDIN-UHFFFAOYSA-N 0 0 482.606 0.595 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)ccc1F ZINC000521530214 1069583251 /nfs/dbraw/zinc/58/32/51/1069583251.db2.gz GRBCKNIDWRUYSD-KRWDZBQOSA-N 0 0 457.527 0.898 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)ccc1F ZINC000521530219 1069583324 /nfs/dbraw/zinc/58/33/24/1069583324.db2.gz GRBCKNIDWRUYSD-QGZVFWFLSA-N 0 0 457.527 0.898 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)c(C)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000521531153 1069583263 /nfs/dbraw/zinc/58/32/63/1069583263.db2.gz VXNBHGBRVGBRJX-UHFFFAOYSA-N 0 0 455.515 0.829 20 30 JCEDRN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000521546377 1069586640 /nfs/dbraw/zinc/58/66/40/1069586640.db2.gz PSCDKQFBNORKQF-UHFFFAOYSA-N 0 0 485.522 0.155 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000521564367 1069587305 /nfs/dbraw/zinc/58/73/05/1069587305.db2.gz DVVPPTUHVXEDJQ-UHFFFAOYSA-N 0 0 455.540 0.957 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000521568087 1069587936 /nfs/dbraw/zinc/58/79/36/1069587936.db2.gz ZECAQLIZTACRRU-UHFFFAOYSA-N 0 0 453.499 0.442 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O ZINC000521663606 1069592669 /nfs/dbraw/zinc/59/26/69/1069592669.db2.gz BOUIRIPBGJWWPR-UHFFFAOYSA-N 0 0 498.467 0.586 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000521663849 1069592965 /nfs/dbraw/zinc/59/29/65/1069592965.db2.gz MLOCQSPMBHQKKO-UHFFFAOYSA-N 0 0 477.489 0.503 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(OC)nc1 ZINC000521663952 1069594370 /nfs/dbraw/zinc/59/43/70/1069594370.db2.gz RRPYXHUCTWQTQP-UHFFFAOYSA-N 0 0 472.473 0.846 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NCCOC ZINC000521667060 1069594116 /nfs/dbraw/zinc/59/41/16/1069594116.db2.gz PTJOXSSOGNCDNU-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 ZINC000521673160 1069595494 /nfs/dbraw/zinc/59/54/94/1069595494.db2.gz SRGNMOXTHRTJMB-HNNXBMFYSA-N 0 0 461.490 0.729 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 ZINC000521673165 1069595462 /nfs/dbraw/zinc/59/54/62/1069595462.db2.gz SRGNMOXTHRTJMB-OAHLLOKOSA-N 0 0 461.490 0.729 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c(Cl)c1OC ZINC000521677313 1069592754 /nfs/dbraw/zinc/59/27/54/1069592754.db2.gz OCIUZPFIFLUWEQ-UHFFFAOYSA-N 0 0 478.958 0.341 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000521686195 1069596091 /nfs/dbraw/zinc/59/60/91/1069596091.db2.gz PTWXFFOYEOXPES-UHFFFAOYSA-N 0 0 468.583 0.998 20 30 JCEDRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000521732698 1069600470 /nfs/dbraw/zinc/60/04/70/1069600470.db2.gz SBXPZGKJKUATAE-UHFFFAOYSA-N 0 0 478.509 0.722 20 30 JCEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000521742780 1069603276 /nfs/dbraw/zinc/60/32/76/1069603276.db2.gz RNLUTKVVANLRDR-KRWDZBQOSA-N 0 0 459.572 0.880 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000521742781 1069603262 /nfs/dbraw/zinc/60/32/62/1069603262.db2.gz RNLUTKVVANLRDR-QGZVFWFLSA-N 0 0 459.572 0.880 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000521749489 1069600344 /nfs/dbraw/zinc/60/03/44/1069600344.db2.gz PBWJMYYNSAYDSA-UHFFFAOYSA-N 0 0 478.493 0.700 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N ZINC000521751658 1069601259 /nfs/dbraw/zinc/60/12/59/1069601259.db2.gz ATIGSCTWIMHQDJ-UHFFFAOYSA-N 0 0 462.553 0.944 20 30 JCEDRN Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N ZINC000521751808 1069601138 /nfs/dbraw/zinc/60/11/38/1069601138.db2.gz IZGZXZQVAAHODP-DLBZAZTESA-N 0 0 455.558 0.605 20 30 JCEDRN Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N ZINC000521751809 1069601225 /nfs/dbraw/zinc/60/12/25/1069601225.db2.gz IZGZXZQVAAHODP-IAGOWNOFSA-N 0 0 455.558 0.605 20 30 JCEDRN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N ZINC000521751810 1069601112 /nfs/dbraw/zinc/60/11/12/1069601112.db2.gz IZGZXZQVAAHODP-IRXDYDNUSA-N 0 0 455.558 0.605 20 30 JCEDRN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N ZINC000521751811 1069601147 /nfs/dbraw/zinc/60/11/47/1069601147.db2.gz IZGZXZQVAAHODP-SJORKVTESA-N 0 0 455.558 0.605 20 30 JCEDRN Cc1ccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1S(=O)(=O)NCC#N ZINC000521753517 1069601052 /nfs/dbraw/zinc/60/10/52/1069601052.db2.gz NMZRFPLZOVCCNZ-UHFFFAOYSA-N 0 0 470.555 0.824 20 30 JCEDRN N#Cc1ccc(CNC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 ZINC000521763837 1069604536 /nfs/dbraw/zinc/60/45/36/1069604536.db2.gz LOCBGWFKCNUPHY-UHFFFAOYSA-N 0 0 456.484 0.069 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1C ZINC000521764299 1069604448 /nfs/dbraw/zinc/60/44/48/1069604448.db2.gz DDVTVEMSXPQIOZ-UHFFFAOYSA-N 0 0 490.541 0.925 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000521764303 1069604138 /nfs/dbraw/zinc/60/41/38/1069604138.db2.gz DPKHPTVYINGGRR-UHFFFAOYSA-N 0 0 482.587 0.471 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(C)c2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000521766776 1069605104 /nfs/dbraw/zinc/60/51/04/1069605104.db2.gz DRSATLNEHMZCBU-UHFFFAOYSA-N 0 0 484.622 0.515 20 30 JCEDRN CN(CC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000521767289 1069605140 /nfs/dbraw/zinc/60/51/40/1069605140.db2.gz FIWHDWLBGOKGCV-UHFFFAOYSA-N 0 0 487.557 0.892 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000521767731 1069605064 /nfs/dbraw/zinc/60/50/64/1069605064.db2.gz MBJVKKBNCXNELC-UHFFFAOYSA-N 0 0 498.649 0.905 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000521773826 1069604527 /nfs/dbraw/zinc/60/45/27/1069604527.db2.gz JMIUYEQNNRAHOF-UHFFFAOYSA-N 0 0 494.664 0.645 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000521776635 1069604478 /nfs/dbraw/zinc/60/44/78/1069604478.db2.gz QQCNUENNMCGTNE-UHFFFAOYSA-N 0 0 480.637 0.208 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000521785252 1069607023 /nfs/dbraw/zinc/60/70/23/1069607023.db2.gz SQLCODVEJAPDBE-UHFFFAOYSA-N 0 0 453.499 0.533 20 30 JCEDRN N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)C2=O)cc1 ZINC000521798706 1069612059 /nfs/dbraw/zinc/61/20/59/1069612059.db2.gz VUUDQTXLOQQGGC-IBGZPJMESA-N 0 0 495.517 0.528 20 30 JCEDRN N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)C2=O)cc1 ZINC000521798713 1069612099 /nfs/dbraw/zinc/61/20/99/1069612099.db2.gz VUUDQTXLOQQGGC-LJQANCHMSA-N 0 0 495.517 0.528 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1=O ZINC000521799536 1069612070 /nfs/dbraw/zinc/61/20/70/1069612070.db2.gz RXSXJTYCHQIBJV-UHFFFAOYSA-N 0 0 458.475 0.513 20 30 JCEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000521807718 1069609163 /nfs/dbraw/zinc/60/91/63/1069609163.db2.gz ZEVVYZFBCTYGHN-KRWDZBQOSA-N 0 0 494.643 0.656 20 30 JCEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000521807719 1069609065 /nfs/dbraw/zinc/60/90/65/1069609065.db2.gz ZEVVYZFBCTYGHN-QGZVFWFLSA-N 0 0 494.643 0.656 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc1 ZINC000522075317 1069616659 /nfs/dbraw/zinc/61/66/59/1069616659.db2.gz JRXZZHQRZATCFF-UHFFFAOYSA-N 0 0 481.505 0.945 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cc1 ZINC000522075754 1069616648 /nfs/dbraw/zinc/61/66/48/1069616648.db2.gz CIQYBDDQKVIDEN-UHFFFAOYSA-N 0 0 457.552 0.929 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000522075968 1069616665 /nfs/dbraw/zinc/61/66/65/1069616665.db2.gz DYJPBGCCCQUKGH-UHFFFAOYSA-N 0 0 487.578 0.333 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000522075989 1069616618 /nfs/dbraw/zinc/61/66/18/1069616618.db2.gz QZFHFAOUBPHPRI-UHFFFAOYSA-N 0 0 466.519 0.577 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCN1CCOCC1 ZINC000522109433 1069617572 /nfs/dbraw/zinc/61/75/72/1069617572.db2.gz VROKUQKOOFORDB-UHFFFAOYSA-N 0 0 467.547 0.843 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCN1CCOCC1 ZINC000522109640 1069617449 /nfs/dbraw/zinc/61/74/49/1069617449.db2.gz JEATXRRVHVHFMF-UHFFFAOYSA-N 0 0 481.574 0.885 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)oc1C ZINC000522109703 1069617437 /nfs/dbraw/zinc/61/74/37/1069617437.db2.gz PBLXFDCCKQXXDX-UHFFFAOYSA-N 0 0 485.562 0.802 20 30 JCEDRN C=CCc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(OC)c1OC ZINC000522115257 1069618902 /nfs/dbraw/zinc/61/89/02/1069618902.db2.gz SQBCGUMOWXNRIP-UHFFFAOYSA-N 0 0 468.576 0.837 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000522122888 1069618817 /nfs/dbraw/zinc/61/88/17/1069618817.db2.gz MUJWYOJCCLXCPV-UHFFFAOYSA-N 0 0 452.389 0.967 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O ZINC000522124305 1069618294 /nfs/dbraw/zinc/61/82/94/1069618294.db2.gz XYKCCYSDIHEASK-UHFFFAOYSA-N 0 0 453.434 0.491 20 30 JCEDRN Cn1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000522208640 1069625737 /nfs/dbraw/zinc/62/57/37/1069625737.db2.gz PTMKHSPYHHHSCT-INIZCTEOSA-N 0 0 452.496 0.601 20 30 JCEDRN Cn1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000522208641 1069625728 /nfs/dbraw/zinc/62/57/28/1069625728.db2.gz PTMKHSPYHHHSCT-MRXNPFEDSA-N 0 0 452.496 0.601 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1=O ZINC000522246317 1069628900 /nfs/dbraw/zinc/62/89/00/1069628900.db2.gz QFGZUGYNBRIIKI-UHFFFAOYSA-N 0 0 461.450 0.402 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000522250328 1069628936 /nfs/dbraw/zinc/62/89/36/1069628936.db2.gz TYSKASNQZQZTHJ-UHFFFAOYSA-N 0 0 480.499 0.022 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1=O ZINC000522250453 1069628981 /nfs/dbraw/zinc/62/89/81/1069628981.db2.gz WGIGUOZOCJXXSC-UHFFFAOYSA-N 0 0 457.487 0.275 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2Cc2ccc(OC)c(OC)c2OC)C1=O ZINC000522251010 1069628881 /nfs/dbraw/zinc/62/88/81/1069628881.db2.gz BZLZGAWMQOIUFN-UHFFFAOYSA-N 0 0 457.443 0.873 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000522275756 1069630184 /nfs/dbraw/zinc/63/01/84/1069630184.db2.gz NFJDARYGUHPSMO-UHFFFAOYSA-N 0 0 493.969 0.984 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)NC ZINC000522275793 1069630275 /nfs/dbraw/zinc/63/02/75/1069630275.db2.gz YMIBCUFKLPRMSB-UHFFFAOYSA-N 0 0 473.551 0.364 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)c(OC)c(C)c2)sc1=C(C#N)C(=O)NCCOC ZINC000522276367 1069630958 /nfs/dbraw/zinc/63/09/58/1069630958.db2.gz OFXQBFDUTIYTDF-UHFFFAOYSA-N 0 0 459.568 0.837 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOCC ZINC000522277064 1069630317 /nfs/dbraw/zinc/63/03/17/1069630317.db2.gz AWGRJEBPEWEKSF-UHFFFAOYSA-N 0 0 477.608 0.769 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000522277083 1069630223 /nfs/dbraw/zinc/63/02/23/1069630223.db2.gz FTGMRHJMKYTQCS-UHFFFAOYSA-N 0 0 479.505 0.910 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000522277087 1069630994 /nfs/dbraw/zinc/63/09/94/1069630994.db2.gz GIGXDASHRMRSCK-UHFFFAOYSA-N 0 0 475.592 0.475 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000522277096 1069630801 /nfs/dbraw/zinc/63/08/01/1069630801.db2.gz HMBLJCHNEYBIND-UHFFFAOYSA-N 0 0 457.508 0.037 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000522277107 1069630831 /nfs/dbraw/zinc/63/08/31/1069630831.db2.gz KHXJXSYZBMPMEX-HNNXBMFYSA-N 0 0 493.607 0.004 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000522277108 1069630789 /nfs/dbraw/zinc/63/07/89/1069630789.db2.gz KHXJXSYZBMPMEX-OAHLLOKOSA-N 0 0 493.607 0.004 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOCC ZINC000522277168 1069630303 /nfs/dbraw/zinc/63/03/03/1069630303.db2.gz ZPZLJPXHYWEPFJ-UHFFFAOYSA-N 0 0 461.565 0.155 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000522277886 1069630984 /nfs/dbraw/zinc/63/09/84/1069630984.db2.gz OKMGQVHNZNYBKV-UHFFFAOYSA-N 0 0 473.551 0.373 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000522277893 1069630817 /nfs/dbraw/zinc/63/08/17/1069630817.db2.gz QAARUQZTCXWTDT-UHFFFAOYSA-N 0 0 487.578 0.763 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000522277901 1069630970 /nfs/dbraw/zinc/63/09/70/1069630970.db2.gz SBKZWTCLAWMRBB-UHFFFAOYSA-N 0 0 455.536 0.843 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCOCC ZINC000522277910 1069630977 /nfs/dbraw/zinc/63/09/77/1069630977.db2.gz URQUXUOKMILXPB-UHFFFAOYSA-N 0 0 455.536 0.913 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000522278438 1069631000 /nfs/dbraw/zinc/63/10/00/1069631000.db2.gz JFBPRWPEJSHZBP-AWEZNQCLSA-N 0 0 460.512 0.509 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000522278439 1069630913 /nfs/dbraw/zinc/63/09/13/1069630913.db2.gz JFBPRWPEJSHZBP-CQSZACIVSA-N 0 0 460.512 0.509 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@@H]3CCCO3)c2=O)cc1OC ZINC000522278484 1069630932 /nfs/dbraw/zinc/63/09/32/1069630932.db2.gz VYYLSIUNFZWXSG-HNNXBMFYSA-N 0 0 473.551 0.754 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@H]3CCCO3)c2=O)cc1OC ZINC000522278485 1069630903 /nfs/dbraw/zinc/63/09/03/1069630903.db2.gz VYYLSIUNFZWXSG-OAHLLOKOSA-N 0 0 473.551 0.754 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000522278492 1069631008 /nfs/dbraw/zinc/63/10/08/1069631008.db2.gz YNXDJCWJDQSJNN-UHFFFAOYSA-N 0 0 488.585 0.761 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(OC)c(OCC)c(OC)c2)sc1=C(C#N)C(=O)NC ZINC000522278617 1069630926 /nfs/dbraw/zinc/63/09/26/1069630926.db2.gz LPTHYSWOOAVDEB-UHFFFAOYSA-N 0 0 461.540 0.611 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOCC ZINC000522283406 1069631603 /nfs/dbraw/zinc/63/16/03/1069631603.db2.gz GYIDILITICYFDL-UHFFFAOYSA-N 0 0 470.530 0.695 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000522283429 1069632314 /nfs/dbraw/zinc/63/23/14/1069632314.db2.gz IELMBRYXZLUHOR-UHFFFAOYSA-N 0 0 485.566 0.522 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000522283484 1069631650 /nfs/dbraw/zinc/63/16/50/1069631650.db2.gz POUAAKDDVWZSIF-UHFFFAOYSA-N 0 0 473.551 0.325 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000522283497 1069631561 /nfs/dbraw/zinc/63/15/61/1069631561.db2.gz SFIXXWOZLYFTEO-UHFFFAOYSA-N 0 0 468.514 0.448 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCOCC ZINC000522283728 1069631611 /nfs/dbraw/zinc/63/16/11/1069631611.db2.gz LNUPQMRQFMQDDW-UHFFFAOYSA-N 0 0 471.535 0.531 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000522283929 1069631622 /nfs/dbraw/zinc/63/16/22/1069631622.db2.gz ZFJLNIXVVPJXJQ-UHFFFAOYSA-N 0 0 471.535 0.508 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000522284092 1069631655 /nfs/dbraw/zinc/63/16/55/1069631655.db2.gz FKIYAGZPLVLNGG-UHFFFAOYSA-N 0 0 492.548 0.176 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000522284148 1069631648 /nfs/dbraw/zinc/63/16/48/1069631648.db2.gz MJGXSPGJKPUZSI-UHFFFAOYSA-N 0 0 492.548 0.176 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000522284168 1069631592 /nfs/dbraw/zinc/63/15/92/1069631592.db2.gz OKIBUZHGJBKCQX-UHFFFAOYSA-N 0 0 498.605 0.400 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000522284172 1069631635 /nfs/dbraw/zinc/63/16/35/1069631635.db2.gz OSIAFIQNKLMVDY-UHFFFAOYSA-N 0 0 474.558 0.037 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NCCCOC ZINC000522284192 1069631642 /nfs/dbraw/zinc/63/16/42/1069631642.db2.gz RRBLMJHWJJQAQH-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000522284205 1069631552 /nfs/dbraw/zinc/63/15/52/1069631552.db2.gz SUGAQRIYUMIMQH-UHFFFAOYSA-N 0 0 470.595 0.206 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)sc1=C(C#N)C(=O)NC ZINC000522284206 1069631628 /nfs/dbraw/zinc/63/16/28/1069631628.db2.gz SUGQABGYWMGAMN-UHFFFAOYSA-N 0 0 453.467 0.805 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000522284226 1069631616 /nfs/dbraw/zinc/63/16/16/1069631616.db2.gz VPKJOANBPZBVQX-UHFFFAOYSA-N 0 0 474.558 0.037 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2c(F)cccc2F)sc1=C(C#N)C(=O)NCCCOC ZINC000522284433 1069631632 /nfs/dbraw/zinc/63/16/32/1069631632.db2.gz KGYJLEMRTKTCJC-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(Br)c(O)c(OC)c2)sc1=C(C#N)C(=O)NC ZINC000522284469 1069631538 /nfs/dbraw/zinc/63/15/38/1069631538.db2.gz QFYLOZXOWFBFRB-UHFFFAOYSA-N 0 0 482.356 0.672 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000522284476 1069631528 /nfs/dbraw/zinc/63/15/28/1069631528.db2.gz RAZWESPZVQIDKU-UHFFFAOYSA-N 0 0 475.567 1.000 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2c(C)cc(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000522284488 1069631626 /nfs/dbraw/zinc/63/16/26/1069631626.db2.gz SLZVMPMROXRTDV-UHFFFAOYSA-N 0 0 498.649 0.823 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000522284493 1069631630 /nfs/dbraw/zinc/63/16/30/1069631630.db2.gz UQFNGCRONGJMNX-UHFFFAOYSA-N 0 0 457.508 0.465 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000522284633 1069631583 /nfs/dbraw/zinc/63/15/83/1069631583.db2.gz FZFMMERRYQGUDI-UHFFFAOYSA-N 0 0 470.551 0.267 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000522284708 1069631044 /nfs/dbraw/zinc/63/10/44/1069631044.db2.gz RVHHFOSHGHYEAR-UHFFFAOYSA-N 0 0 471.535 0.079 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NCC(C)C ZINC000522284719 1069630891 /nfs/dbraw/zinc/63/08/91/1069630891.db2.gz TXSNCTUNXHQCJX-UHFFFAOYSA-N 0 0 457.552 0.993 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000522284738 1069630840 /nfs/dbraw/zinc/63/08/40/1069630840.db2.gz YNASSSUJWBNPCW-UHFFFAOYSA-N 0 0 454.596 0.922 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3cnn(CC)c3)c2=O)cs1 ZINC000522380322 1069637409 /nfs/dbraw/zinc/63/74/09/1069637409.db2.gz QVTDFCLPVPNNIO-UHFFFAOYSA-N 0 0 472.596 0.790 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 ZINC000522381310 1069637401 /nfs/dbraw/zinc/63/74/01/1069637401.db2.gz VOFXOEITLAQOLB-UHFFFAOYSA-N 0 0 485.547 0.783 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000522381743 1069637819 /nfs/dbraw/zinc/63/78/19/1069637819.db2.gz BUGBSQFVISNCAC-UHFFFAOYSA-N 0 0 480.506 0.385 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1-c1cnn(CC)c1 ZINC000522381866 1069637943 /nfs/dbraw/zinc/63/79/43/1069637943.db2.gz FCAGVDRSUMONLF-UHFFFAOYSA-N 0 0 495.561 0.946 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000522381917 1069637362 /nfs/dbraw/zinc/63/73/62/1069637362.db2.gz FSHJXWJAFBGNSC-UHFFFAOYSA-N 0 0 452.540 0.376 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(F)c3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000522381996 1069637954 /nfs/dbraw/zinc/63/79/54/1069637954.db2.gz HHUYEYHUYLKTAA-AWEZNQCLSA-N 0 0 485.541 0.917 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(F)c3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000522381997 1069637990 /nfs/dbraw/zinc/63/79/90/1069637990.db2.gz HHUYEYHUYLKTAA-CQSZACIVSA-N 0 0 485.541 0.917 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCc1ccccn1 ZINC000522382256 1069637341 /nfs/dbraw/zinc/63/73/41/1069637341.db2.gz MZNBFJSTVGZGKQ-UHFFFAOYSA-N 0 0 452.511 0.952 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCc1ccccn1 ZINC000522382279 1069637320 /nfs/dbraw/zinc/63/73/20/1069637320.db2.gz OEOYDLJHZCRPOX-UHFFFAOYSA-N 0 0 482.537 0.961 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000522382377 1069637202 /nfs/dbraw/zinc/63/72/02/1069637202.db2.gz SUFGFZHORUWVKP-UHFFFAOYSA-N 0 0 465.535 0.930 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000522383193 1069637277 /nfs/dbraw/zinc/63/72/77/1069637277.db2.gz IXDZLBJATAZZAD-UHFFFAOYSA-N 0 0 450.480 0.805 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C)s3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000522383285 1069638622 /nfs/dbraw/zinc/63/86/22/1069638622.db2.gz MTQFOSWLAQLLEE-UHFFFAOYSA-N 0 0 498.634 0.437 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1ccccn1 ZINC000522383480 1069638693 /nfs/dbraw/zinc/63/86/93/1069638693.db2.gz XVLLGPOYHZGJBX-UHFFFAOYSA-N 0 0 478.530 0.542 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCc1ccccn1 ZINC000522384067 1069638710 /nfs/dbraw/zinc/63/87/10/1069638710.db2.gz GMCQWOLYHAXVAW-UHFFFAOYSA-N 0 0 494.573 0.830 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)c(F)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000522384441 1069638655 /nfs/dbraw/zinc/63/86/55/1069638655.db2.gz XZKVHVYKUJJLNJ-UHFFFAOYSA-N 0 0 459.478 0.659 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3OC)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000522384968 1069638761 /nfs/dbraw/zinc/63/87/61/1069638761.db2.gz CTGJNKPWPNMYQU-UHFFFAOYSA-N 0 0 492.605 0.791 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)Nc2cccc(OC)c2)cn1 ZINC000522385036 1069638757 /nfs/dbraw/zinc/63/87/57/1069638757.db2.gz HJTGCEVGHQHLKN-UHFFFAOYSA-N 0 0 475.534 0.999 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000522385119 1069638685 /nfs/dbraw/zinc/63/86/85/1069638685.db2.gz LFEGBLIGAOHZAC-UHFFFAOYSA-N 0 0 492.605 0.791 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc4c(c(OC)c3)OCO4)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000522385140 1069638674 /nfs/dbraw/zinc/63/86/74/1069638674.db2.gz MBGAMXUFASTVNQ-UHFFFAOYSA-N 0 0 497.533 0.118 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(OC)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000522385209 1069638646 /nfs/dbraw/zinc/63/86/46/1069638646.db2.gz OWDXVNOWLLRUMB-UHFFFAOYSA-N 0 0 495.561 0.494 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1-c1cnn(CC)c1 ZINC000522385257 1069638752 /nfs/dbraw/zinc/63/87/52/1069638752.db2.gz QTWFNGOUCBIXQM-UHFFFAOYSA-N 0 0 465.535 0.938 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000522386233 1069638730 /nfs/dbraw/zinc/63/87/30/1069638730.db2.gz KEJAKKLEHZVWFG-UHFFFAOYSA-N 0 0 469.596 0.239 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000522386325 1069638724 /nfs/dbraw/zinc/63/87/24/1069638724.db2.gz NSRQLYUYCHANRB-UHFFFAOYSA-N 0 0 492.605 0.791 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(C)c3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000522386383 1069638716 /nfs/dbraw/zinc/63/87/16/1069638716.db2.gz QGJBXJBMKNKZAQ-UHFFFAOYSA-N 0 0 492.605 0.375 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cnn(CC)c1 ZINC000522386512 1069639404 /nfs/dbraw/zinc/63/94/04/1069639404.db2.gz WUFILTODCBRIKH-UHFFFAOYSA-N 0 0 452.540 0.556 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2CCc2ccccn2)CC1 ZINC000522387245 1069639507 /nfs/dbraw/zinc/63/95/07/1069639507.db2.gz FKCYRNCCYODEKB-UHFFFAOYSA-N 0 0 494.646 0.980 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCc1ccccn1 ZINC000522387296 1069638665 /nfs/dbraw/zinc/63/86/65/1069638665.db2.gz HWVHCCSOGSQVPN-UHFFFAOYSA-N 0 0 455.565 0.578 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000522387334 1069639370 /nfs/dbraw/zinc/63/93/70/1069639370.db2.gz JHORPLJEPMCLMO-UHFFFAOYSA-N 0 0 463.519 0.684 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000522387461 1069639447 /nfs/dbraw/zinc/63/94/47/1069639447.db2.gz PRWVBJCMJGVKLD-UHFFFAOYSA-N 0 0 463.567 0.178 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(-n4cncn4)c(F)c3)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000522387475 1069639399 /nfs/dbraw/zinc/63/93/99/1069639399.db2.gz QBZHCVUFOIXHBU-UHFFFAOYSA-N 0 0 492.540 0.863 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2CCc2ccccn2)CC1 ZINC000522387530 1069638009 /nfs/dbraw/zinc/63/80/09/1069638009.db2.gz SYPNHRLKZYCYSW-UHFFFAOYSA-N 0 0 463.563 0.808 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCc1ccccn1 ZINC000522387590 1069639479 /nfs/dbraw/zinc/63/94/79/1069639479.db2.gz WDNPVXBSOQZUKK-UHFFFAOYSA-N 0 0 492.557 0.600 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000522387615 1069639353 /nfs/dbraw/zinc/63/93/53/1069639353.db2.gz XFLOSOHGGKPOPE-HNNXBMFYSA-N 0 0 495.561 0.556 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000522387616 1069639441 /nfs/dbraw/zinc/63/94/41/1069639441.db2.gz XFLOSOHGGKPOPE-OAHLLOKOSA-N 0 0 495.561 0.556 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1-c1cnn(CC)c1 ZINC000522388217 1069639310 /nfs/dbraw/zinc/63/93/10/1069639310.db2.gz BHJDSEBFCMFLMV-UHFFFAOYSA-N 0 0 493.545 0.700 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3OC)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000522388238 1069639392 /nfs/dbraw/zinc/63/93/92/1069639392.db2.gz BXBOYCIVMHMGQJ-UHFFFAOYSA-N 0 0 497.577 0.788 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)cc1 ZINC000522388279 1069639362 /nfs/dbraw/zinc/63/93/62/1069639362.db2.gz DOLGCUUDQVNKCH-UHFFFAOYSA-N 0 0 476.558 0.918 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccn3)c2=O)cc1 ZINC000522388522 1069640122 /nfs/dbraw/zinc/64/01/22/1069640122.db2.gz PUJAEKDDEXLOHG-UHFFFAOYSA-N 0 0 494.598 0.733 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(NC(C)=O)cc3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000522388728 1069640057 /nfs/dbraw/zinc/64/00/57/1069640057.db2.gz UIIORXBNGYOIIZ-UHFFFAOYSA-N 0 0 480.550 0.339 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(NC(C)=O)cc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000522388732 1069640109 /nfs/dbraw/zinc/64/01/09/1069640109.db2.gz UOHUNVDEROBUKT-UHFFFAOYSA-N 0 0 492.561 0.436 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCCO4)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000522389258 1069640041 /nfs/dbraw/zinc/64/00/41/1069640041.db2.gz ABMOUITWAPQESJ-UHFFFAOYSA-N 0 0 463.519 0.668 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCCO4)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000522389266 1069640067 /nfs/dbraw/zinc/64/00/67/1069640067.db2.gz ATEBVZITLGCPFW-UHFFFAOYSA-N 0 0 481.534 0.152 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1ccccn1 ZINC000522389330 1069637903 /nfs/dbraw/zinc/63/79/03/1069637903.db2.gz FIXQLUDDFQXBTO-UHFFFAOYSA-N 0 0 490.541 0.638 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C)cc(C)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000522389335 1069638037 /nfs/dbraw/zinc/63/80/37/1069638037.db2.gz FOKKZUNRKMVGFH-UHFFFAOYSA-N 0 0 451.552 0.998 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000522389354 1069638771 /nfs/dbraw/zinc/63/87/71/1069638771.db2.gz GEVYOVQNPPUECF-UHFFFAOYSA-N 0 0 451.508 0.872 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1-c1cnn(CC)c1 ZINC000522389405 1069640103 /nfs/dbraw/zinc/64/01/03/1069640103.db2.gz IDNWHHURWKRUET-UHFFFAOYSA-N 0 0 465.535 0.938 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3csc(C)n3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000522389442 1069640136 /nfs/dbraw/zinc/64/01/36/1069640136.db2.gz JGNGWOOYJCEQKD-UHFFFAOYSA-N 0 0 458.569 0.536 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(F)c3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000522389458 1069640094 /nfs/dbraw/zinc/64/00/94/1069640094.db2.gz JTSBFHUHAHXASN-UHFFFAOYSA-N 0 0 496.568 0.206 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc4c(c(Cl)c3)OCO4)sc2=C(C#N)C(=O)NC)cn1 ZINC000522389489 1069640166 /nfs/dbraw/zinc/64/01/66/1069640166.db2.gz KSEJENJBPGCCLW-UHFFFAOYSA-N 0 0 457.899 0.747 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)N2CCCC2)cn1 ZINC000522389531 1069640141 /nfs/dbraw/zinc/64/01/41/1069640141.db2.gz LNKXJYLZCUSXQY-UHFFFAOYSA-N 0 0 463.519 0.970 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000522389659 1069640147 /nfs/dbraw/zinc/64/01/47/1069640147.db2.gz NRMABVUZMLYDMS-UHFFFAOYSA-N 0 0 465.535 0.914 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000522389764 1069640032 /nfs/dbraw/zinc/64/00/32/1069640032.db2.gz PIIBZFBNCVLKGJ-UHFFFAOYSA-N 0 0 450.480 0.805 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000522389794 1069640048 /nfs/dbraw/zinc/64/00/48/1069640048.db2.gz PVEQPOPMCSWBGW-UHFFFAOYSA-N 0 0 450.480 0.805 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000522389803 1069640129 /nfs/dbraw/zinc/64/01/29/1069640129.db2.gz QBGVVTXQJSXIKW-UHFFFAOYSA-N 0 0 492.605 0.375 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2cnn(CC)c2)c1=O ZINC000522390014 1069640176 /nfs/dbraw/zinc/64/01/76/1069640176.db2.gz VOYBBAITLKJMHK-UHFFFAOYSA-N 0 0 467.551 0.780 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3csc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000522390331 1069640074 /nfs/dbraw/zinc/64/00/74/1069640074.db2.gz FTJKSFZEYZDIGO-UHFFFAOYSA-N 0 0 474.524 0.351 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1cnn(CC)c1 ZINC000522390424 1069640171 /nfs/dbraw/zinc/64/01/71/1069640171.db2.gz KOQOEWXQWKGSOZ-UHFFFAOYSA-N 0 0 469.523 0.833 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C(=O)OC)c(C)o3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000522390430 1069640159 /nfs/dbraw/zinc/64/01/59/1069640159.db2.gz KSYDNVVHHPLLFU-UHFFFAOYSA-N 0 0 467.507 0.585 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3csc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000522390463 1069640117 /nfs/dbraw/zinc/64/01/17/1069640117.db2.gz MRLKUTQPTPZUJO-UHFFFAOYSA-N 0 0 486.535 0.447 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C(=O)OC)c(C)o3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000522390468 1069640878 /nfs/dbraw/zinc/64/08/78/1069640878.db2.gz NCLRKRIWYYMETC-UHFFFAOYSA-N 0 0 485.522 0.069 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 ZINC000522390528 1069639378 /nfs/dbraw/zinc/63/93/78/1069639378.db2.gz QKHZOVNUBMQTLN-UHFFFAOYSA-N 0 0 463.563 0.988 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cnn(CC)c1 ZINC000522390798 1069639527 /nfs/dbraw/zinc/63/95/27/1069639527.db2.gz YUTPGPZQQNJPEN-UHFFFAOYSA-N 0 0 499.618 0.938 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)cc1 ZINC000522474137 1069662594 /nfs/dbraw/zinc/66/25/94/1069662594.db2.gz GNGZNEBRDHSABE-UHFFFAOYSA-N 0 0 490.563 0.400 20 30 JCEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000522480132 1069665516 /nfs/dbraw/zinc/66/55/16/1069665516.db2.gz FSGINRWWRGRXJQ-UHFFFAOYSA-N 0 0 452.467 0.873 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c(F)c1 ZINC000522501418 1069669028 /nfs/dbraw/zinc/66/90/28/1069669028.db2.gz ATBPTRPLPDAXNC-UHFFFAOYSA-N 0 0 451.462 0.316 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000522520054 1069673284 /nfs/dbraw/zinc/67/32/84/1069673284.db2.gz DKHVOUNLSJAHQG-UHFFFAOYSA-N 0 0 463.494 0.677 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 ZINC000522524056 1069673847 /nfs/dbraw/zinc/67/38/47/1069673847.db2.gz VWRDZCSKHYHUQY-HSZRJFAPSA-N 0 0 499.549 0.803 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 ZINC000522524057 1069673813 /nfs/dbraw/zinc/67/38/13/1069673813.db2.gz VWRDZCSKHYHUQY-QHCPKHFHSA-N 0 0 499.549 0.803 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522530398 1069677824 /nfs/dbraw/zinc/67/78/24/1069677824.db2.gz BHBULNGCCLFUKA-UHFFFAOYSA-N 0 0 466.519 0.555 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000522530436 1069677859 /nfs/dbraw/zinc/67/78/59/1069677859.db2.gz DHVWKXLLCUWFNC-UHFFFAOYSA-N 0 0 494.602 0.122 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522530439 1069677678 /nfs/dbraw/zinc/67/76/78/1069677678.db2.gz DRSCJTLFWCBBJF-UHFFFAOYSA-N 0 0 477.546 0.439 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522530476 1069677636 /nfs/dbraw/zinc/67/76/36/1069677636.db2.gz GJONOGXXKMRWCF-UHFFFAOYSA-N 0 0 491.573 0.827 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522530698 1069678512 /nfs/dbraw/zinc/67/85/12/1069678512.db2.gz QRTNBWXRKOSKCR-UHFFFAOYSA-N 0 0 454.533 0.325 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522530713 1069678564 /nfs/dbraw/zinc/67/85/64/1069678564.db2.gz RIGYBASUXBLYFT-UHFFFAOYSA-N 0 0 468.560 0.715 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522530784 1069678448 /nfs/dbraw/zinc/67/84/48/1069678448.db2.gz UMSQSNQAFPTKIJ-UHFFFAOYSA-N 0 0 478.530 0.272 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522530835 1069677893 /nfs/dbraw/zinc/67/78/93/1069677893.db2.gz XFXCMMZLFQOWTC-UHFFFAOYSA-N 0 0 466.544 0.421 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522531297 1069677719 /nfs/dbraw/zinc/67/77/19/1069677719.db2.gz FVFQJMJMWRBKHR-UHFFFAOYSA-N 0 0 497.602 0.809 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522531652 1069678571 /nfs/dbraw/zinc/67/85/71/1069678571.db2.gz MRGUGJSLTNRRCB-UHFFFAOYSA-N 0 0 476.558 0.962 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522531980 1069678537 /nfs/dbraw/zinc/67/85/37/1069678537.db2.gz VPWCSNPDOHYPKG-UHFFFAOYSA-N 0 0 454.533 0.325 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522531995 1069678556 /nfs/dbraw/zinc/67/85/56/1069678556.db2.gz VXILKXGJPGVZNZ-UHFFFAOYSA-N 0 0 483.575 0.419 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000522534598 1069679195 /nfs/dbraw/zinc/67/91/95/1069679195.db2.gz BIXIPRUGGBFIQW-UHFFFAOYSA-N 0 0 483.550 0.305 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 ZINC000522534791 1069678493 /nfs/dbraw/zinc/67/84/93/1069678493.db2.gz GGCQAABZIDZCRY-UHFFFAOYSA-N 0 0 480.594 0.435 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC ZINC000522534954 1069678545 /nfs/dbraw/zinc/67/85/45/1069678545.db2.gz JLUHQAJZIMDRLT-UHFFFAOYSA-N 0 0 466.519 0.577 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 ZINC000522535026 1069678551 /nfs/dbraw/zinc/67/85/51/1069678551.db2.gz MEVCTAMXXHOYHT-GOSISDBHSA-N 0 0 494.621 0.824 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 ZINC000522535027 1069678433 /nfs/dbraw/zinc/67/84/33/1069678433.db2.gz MEVCTAMXXHOYHT-SFHVURJKSA-N 0 0 494.621 0.824 20 30 JCEDRN CN(CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCOCC1)c1ccccc1 ZINC000522535135 1069678578 /nfs/dbraw/zinc/67/85/78/1069678578.db2.gz RLAUSKSHAJHYFX-UHFFFAOYSA-N 0 0 492.605 0.532 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cc(OC)ccc1OC ZINC000522535156 1069678504 /nfs/dbraw/zinc/67/85/04/1069678504.db2.gz SPPOCFSJODTFNZ-UHFFFAOYSA-N 0 0 479.514 0.952 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCCC2)c1 ZINC000522535237 1069678456 /nfs/dbraw/zinc/67/84/56/1069678456.db2.gz WGGPTQIOXGNHPW-UHFFFAOYSA-N 0 0 465.535 0.775 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCC(C)C)c1 ZINC000522535309 1069678486 /nfs/dbraw/zinc/67/84/86/1069678486.db2.gz YYGSDROEOHFXKR-UHFFFAOYSA-N 0 0 467.551 0.925 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522535622 1069679306 /nfs/dbraw/zinc/67/93/06/1069679306.db2.gz CXEHLIHIWDYQBQ-UHFFFAOYSA-N 0 0 496.614 0.978 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522535634 1069679297 /nfs/dbraw/zinc/67/92/97/1069679297.db2.gz DKYSXADYVSNZCM-UHFFFAOYSA-N 0 0 482.587 0.633 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522535767 1069679260 /nfs/dbraw/zinc/67/92/60/1069679260.db2.gz GOOOJZYAXLQCHT-UHFFFAOYSA-N 0 0 460.515 0.360 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522535803 1069679180 /nfs/dbraw/zinc/67/91/80/1069679180.db2.gz IFQWOSWAMXUMLQ-UHFFFAOYSA-N 0 0 484.484 0.542 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522535815 1069679287 /nfs/dbraw/zinc/67/92/87/1069679287.db2.gz IVCQLSBLMJRDNM-UHFFFAOYSA-N 0 0 489.604 0.090 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522535908 1069679337 /nfs/dbraw/zinc/67/93/37/1069679337.db2.gz MGEDYUQNZZYVAR-UHFFFAOYSA-N 0 0 486.600 0.934 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522535932 1069679323 /nfs/dbraw/zinc/67/93/23/1069679323.db2.gz NCUKGJLJCSSORO-UHFFFAOYSA-N 0 0 462.531 0.654 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522536051 1067855937 /nfs/dbraw/zinc/85/59/37/1067855937.db2.gz RLJJBDJFNWKLTL-UHFFFAOYSA-N 0 0 484.559 0.312 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522536139 1069679269 /nfs/dbraw/zinc/67/92/69/1069679269.db2.gz WVAUAONWECBTNJ-UHFFFAOYSA-N 0 0 478.505 0.499 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522536140 1069679233 /nfs/dbraw/zinc/67/92/33/1069679233.db2.gz WVVYXIXASPKDNF-UHFFFAOYSA-N 0 0 468.922 0.909 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522536177 1069679274 /nfs/dbraw/zinc/67/92/74/1069679274.db2.gz YBOKKGOECGRKEN-UHFFFAOYSA-N 0 0 496.495 0.638 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522536657 1069675914 /nfs/dbraw/zinc/67/59/14/1069675914.db2.gz DEQIEBRKJBWUGN-UHFFFAOYSA-N 0 0 492.557 0.662 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522536751 1069675874 /nfs/dbraw/zinc/67/58/74/1069675874.db2.gz HCCSBTOHLRIGPJ-UHFFFAOYSA-N 0 0 460.515 0.812 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522536957 1069675081 /nfs/dbraw/zinc/67/50/81/1069675081.db2.gz OKRYMLJKZVUFPF-UHFFFAOYSA-N 0 0 477.502 0.934 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522536963 1069675760 /nfs/dbraw/zinc/67/57/60/1069675760.db2.gz ONZITUUKCMKCQZ-UHFFFAOYSA-N 0 0 494.529 0.273 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537061 1069675719 /nfs/dbraw/zinc/67/57/19/1069675719.db2.gz SKWGHWIWKZTMGC-UHFFFAOYSA-N 0 0 488.525 0.852 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1OC ZINC000522537120 1069675234 /nfs/dbraw/zinc/67/52/34/1069675234.db2.gz VTFOKTUHAHGAPX-UHFFFAOYSA-N 0 0 490.541 0.797 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537137 1069675055 /nfs/dbraw/zinc/67/50/55/1069675055.db2.gz WTIKFINZMKOJLI-UHFFFAOYSA-N 0 0 493.501 0.172 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537180 1069675244 /nfs/dbraw/zinc/67/52/44/1069675244.db2.gz YDJNFXIISKYFGX-UHFFFAOYSA-N 0 0 488.525 0.551 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537225 1069675227 /nfs/dbraw/zinc/67/52/27/1069675227.db2.gz ZUFABRHEMNEYMB-UHFFFAOYSA-N 0 0 477.502 0.935 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522537261 1069675132 /nfs/dbraw/zinc/67/51/32/1069675132.db2.gz BFPKICIHODYADX-UHFFFAOYSA-N 0 0 474.589 0.225 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000522537277 1069675196 /nfs/dbraw/zinc/67/51/96/1069675196.db2.gz CAPQXKTYOJMFCI-UHFFFAOYSA-N 0 0 474.502 0.144 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522537319 1069675090 /nfs/dbraw/zinc/67/50/90/1069675090.db2.gz DFNOEOOUTASQMA-UHFFFAOYSA-N 0 0 457.533 0.927 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000522537372 1069675117 /nfs/dbraw/zinc/67/51/17/1069675117.db2.gz GMMGOEKLGHCLIJ-UHFFFAOYSA-N 0 0 499.508 0.846 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000522537412 1069675212 /nfs/dbraw/zinc/67/52/12/1069675212.db2.gz HURJSXJILOWGTD-UHFFFAOYSA-N 0 0 488.525 0.566 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537455 1069675263 /nfs/dbraw/zinc/67/52/63/1069675263.db2.gz JGUNOEATWKYISL-UHFFFAOYSA-N 0 0 466.494 0.403 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522537458 1069675294 /nfs/dbraw/zinc/67/52/94/1069675294.db2.gz JJPLCHCHGJIXLY-UHFFFAOYSA-N 0 0 498.561 0.550 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537481 1069675102 /nfs/dbraw/zinc/67/51/02/1069675102.db2.gz KBKLOLZSUAMIGT-UHFFFAOYSA-N 0 0 496.495 0.638 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537643 1069675788 /nfs/dbraw/zinc/67/57/88/1069675788.db2.gz MPUZWHFIXLWVHG-UHFFFAOYSA-N 0 0 490.541 0.797 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522537687 1069676576 /nfs/dbraw/zinc/67/65/76/1069676576.db2.gz NYLIIYBADQCZCC-UHFFFAOYSA-N 0 0 498.561 0.550 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522537804 1069675930 /nfs/dbraw/zinc/67/59/30/1069675930.db2.gz PSJRVUSQGYLNTR-UHFFFAOYSA-N 0 0 488.978 0.508 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537835 1069675892 /nfs/dbraw/zinc/67/58/92/1069675892.db2.gz QDQSXXPWJNWFCK-UHFFFAOYSA-N 0 0 462.487 0.034 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537847 1069675779 /nfs/dbraw/zinc/67/57/79/1069675779.db2.gz QNUQSWVXVDUMCW-UHFFFAOYSA-N 0 0 478.505 0.951 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522537851 1069675701 /nfs/dbraw/zinc/67/57/01/1069675701.db2.gz QQEGQZPWVAQYRC-UHFFFAOYSA-N 0 0 488.616 0.695 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522537859 1069675803 /nfs/dbraw/zinc/67/58/03/1069675803.db2.gz QWSMGTCGJKROED-UHFFFAOYSA-N 0 0 468.560 0.163 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537878 1069675828 /nfs/dbraw/zinc/67/58/28/1069675828.db2.gz RJSJHKGLQWUFMT-UHFFFAOYSA-N 0 0 480.521 0.793 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522537913 1069676451 /nfs/dbraw/zinc/67/64/51/1069676451.db2.gz SLWXGZODAQFXMP-UHFFFAOYSA-N 0 0 484.559 0.324 20 30 JCEDRN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537923 1069676584 /nfs/dbraw/zinc/67/65/84/1069676584.db2.gz STOMGOFVLLXJMS-FOIQADDNSA-N 0 0 490.589 0.929 20 30 JCEDRN C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537924 1069676422 /nfs/dbraw/zinc/67/64/22/1069676422.db2.gz STOMGOFVLLXJMS-MGPUTAFESA-N 0 0 490.589 0.929 20 30 JCEDRN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537925 1069676526 /nfs/dbraw/zinc/67/65/26/1069676526.db2.gz STOMGOFVLLXJMS-QRWLVFNGSA-N 0 0 490.589 0.929 20 30 JCEDRN C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537926 1069676464 /nfs/dbraw/zinc/67/64/64/1069676464.db2.gz STOMGOFVLLXJMS-YWZLYKJASA-N 0 0 490.589 0.929 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 ZINC000522538059 1069675768 /nfs/dbraw/zinc/67/57/68/1069675768.db2.gz ULKDTSOACLDUHK-UHFFFAOYSA-N 0 0 494.598 0.696 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522538088 1069675921 /nfs/dbraw/zinc/67/59/21/1069675921.db2.gz VETGIQSLCQGBTD-UHFFFAOYSA-N 0 0 488.616 0.696 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522538121 1069675926 /nfs/dbraw/zinc/67/59/26/1069675926.db2.gz WKBBVMOHZJVQQS-AWEZNQCLSA-N 0 0 480.521 0.791 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522538122 1069675901 /nfs/dbraw/zinc/67/59/01/1069675901.db2.gz WKBBVMOHZJVQQS-CQSZACIVSA-N 0 0 480.521 0.791 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1F ZINC000522538233 1069675734 /nfs/dbraw/zinc/67/57/34/1069675734.db2.gz XVIIZFGEFJQHTF-UHFFFAOYSA-N 0 0 478.505 0.927 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522538273 1069675813 /nfs/dbraw/zinc/67/58/13/1069675813.db2.gz ZRZNALFFRCOKQN-UHFFFAOYSA-N 0 0 486.575 0.618 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522538307 1069675841 /nfs/dbraw/zinc/67/58/41/1069675841.db2.gz BSCJBEKMOGPORA-UHFFFAOYSA-N 0 0 487.541 0.762 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000522538367 1069675744 /nfs/dbraw/zinc/67/57/44/1069675744.db2.gz DRSSSHZTFIHUJC-UHFFFAOYSA-N 0 0 460.515 0.788 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522538497 1069675859 /nfs/dbraw/zinc/67/58/59/1069675859.db2.gz IVKQSYSGEKYMFF-UHFFFAOYSA-N 0 0 496.614 0.780 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522538618 1069676544 /nfs/dbraw/zinc/67/65/44/1069676544.db2.gz NTHRUCJVWUVFSW-UHFFFAOYSA-N 0 0 481.515 0.773 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522538623 1069676407 /nfs/dbraw/zinc/67/64/07/1069676407.db2.gz OEFTWILHDPPSOZ-UHFFFAOYSA-N 0 0 490.513 0.133 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522538662 1069676513 /nfs/dbraw/zinc/67/65/13/1069676513.db2.gz PKPPOGWSGRUXQT-UHFFFAOYSA-N 0 0 476.558 0.962 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522538672 1069676535 /nfs/dbraw/zinc/67/65/35/1069676535.db2.gz PRWVYDWBSUVZFK-UHFFFAOYSA-N 0 0 488.978 0.508 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522538705 1069676434 /nfs/dbraw/zinc/67/64/34/1069676434.db2.gz REOYNKMFHNYPHI-UHFFFAOYSA-N 0 0 462.531 0.572 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000522538774 1069676481 /nfs/dbraw/zinc/67/64/81/1069676481.db2.gz VJJPFCDNYYOOPA-UHFFFAOYSA-N 0 0 494.598 0.696 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522538955 1069676564 /nfs/dbraw/zinc/67/65/64/1069676564.db2.gz XQHAYLBRDIUBRT-UHFFFAOYSA-N 0 0 499.618 0.847 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522538986 1069676330 /nfs/dbraw/zinc/67/63/30/1069676330.db2.gz YHVUKOJTSTXUAE-UHFFFAOYSA-N 0 0 481.515 0.749 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522539092 1069676299 /nfs/dbraw/zinc/67/62/99/1069676299.db2.gz ZFRLNKKSDULDSP-UHFFFAOYSA-N 0 0 498.586 0.760 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000522539843 1069676499 /nfs/dbraw/zinc/67/64/99/1069676499.db2.gz BKAIPEMZAVGSTQ-UHFFFAOYSA-N 0 0 471.502 0.268 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 ZINC000522539863 1069676383 /nfs/dbraw/zinc/67/63/83/1069676383.db2.gz CDIMTTGHPQRJJC-UHFFFAOYSA-N 0 0 498.586 0.253 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522540459 1069676344 /nfs/dbraw/zinc/67/63/44/1069676344.db2.gz QQOCQKDEEOUAKK-UHFFFAOYSA-N 0 0 497.602 0.276 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522540519 1069676988 /nfs/dbraw/zinc/67/69/88/1069676988.db2.gz SJQKUEKOGHKLJI-UHFFFAOYSA-N 0 0 486.600 0.472 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522540562 1069677095 /nfs/dbraw/zinc/67/70/95/1069677095.db2.gz USFTYQMOAXKLLS-UHFFFAOYSA-N 0 0 478.505 0.499 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 ZINC000522540583 1069677030 /nfs/dbraw/zinc/67/70/30/1069677030.db2.gz VVMYHUCBKBUERC-UHFFFAOYSA-N 0 0 465.560 0.798 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 ZINC000522540654 1069677088 /nfs/dbraw/zinc/67/70/88/1069677088.db2.gz YMDKNXDNEOOLHC-UHFFFAOYSA-N 0 0 483.575 0.282 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522540678 1069677122 /nfs/dbraw/zinc/67/71/22/1069677122.db2.gz ZVFSWMXOXHZDCV-UHFFFAOYSA-N 0 0 480.571 0.873 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522541425 1069676362 /nfs/dbraw/zinc/67/63/62/1069676362.db2.gz IUEMMUDFAHQTMK-UHFFFAOYSA-N 0 0 478.530 0.272 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000522541437 1069676554 /nfs/dbraw/zinc/67/65/54/1069676554.db2.gz JBEXKMCOSHYTKI-UHFFFAOYSA-N 0 0 482.953 0.813 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522541604 1069677076 /nfs/dbraw/zinc/67/70/76/1069677076.db2.gz OTQOBVPKRSNKCI-UHFFFAOYSA-N 0 0 472.526 0.738 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000522541709 1069677140 /nfs/dbraw/zinc/67/71/40/1069677140.db2.gz SPMPOORQOBUBLH-UHFFFAOYSA-N 0 0 497.602 0.420 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000522541784 1069677146 /nfs/dbraw/zinc/67/71/46/1069677146.db2.gz WAENIOMGFNXHQQ-CYBMUJFWSA-N 0 0 482.953 0.812 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000522541785 1069677165 /nfs/dbraw/zinc/67/71/65/1069677165.db2.gz WAENIOMGFNXHQQ-ZDUSSCGKSA-N 0 0 482.953 0.812 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522541788 1069677112 /nfs/dbraw/zinc/67/71/12/1069677112.db2.gz WGCIHEGVBHQOES-HNNXBMFYSA-N 0 0 492.557 0.661 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522541789 1069677068 /nfs/dbraw/zinc/67/70/68/1069677068.db2.gz WGCIHEGVBHQOES-OAHLLOKOSA-N 0 0 492.557 0.661 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522541871 1069677132 /nfs/dbraw/zinc/67/71/32/1069677132.db2.gz ZHAFHYFCSCXEBU-UHFFFAOYSA-N 0 0 472.526 0.714 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522542382 1067856389 /nfs/dbraw/zinc/85/63/89/1067856389.db2.gz CLWKSFACNFDAJT-UHFFFAOYSA-N 0 0 492.513 0.491 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522542713 1069677102 /nfs/dbraw/zinc/67/71/02/1069677102.db2.gz PUZJTOHJLFLPPB-UHFFFAOYSA-N 0 0 498.511 0.932 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522542769 1069677047 /nfs/dbraw/zinc/67/70/47/1069677047.db2.gz SHUXVKYTOBCOKY-UHFFFAOYSA-N 0 0 494.529 0.715 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000522551070 1069679865 /nfs/dbraw/zinc/67/98/65/1069679865.db2.gz MSLZTWDJGOIWHV-UHFFFAOYSA-N 0 0 456.528 0.118 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000522563756 1069680580 /nfs/dbraw/zinc/68/05/80/1069680580.db2.gz IMUCQRGKRBVNNS-UHFFFAOYSA-N 0 0 471.543 0.137 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000522619057 1069683514 /nfs/dbraw/zinc/68/35/14/1069683514.db2.gz YXGBUJBMDHQVLO-UHFFFAOYSA-N 0 0 458.544 0.410 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000522624229 1069684050 /nfs/dbraw/zinc/68/40/50/1069684050.db2.gz IRODTLYLGQFDEH-UHFFFAOYSA-N 0 0 460.512 0.769 20 30 JCEDRN C[C@@H](c1cccs1)n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000522625033 1069684100 /nfs/dbraw/zinc/68/41/00/1069684100.db2.gz HVNKFMQGQFCWSQ-AWEZNQCLSA-N 0 0 455.565 0.676 20 30 JCEDRN C[C@H](c1cccs1)n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000522625034 1069684184 /nfs/dbraw/zinc/68/41/84/1069684184.db2.gz HVNKFMQGQFCWSQ-CQSZACIVSA-N 0 0 455.565 0.676 20 30 JCEDRN N#Cc1nccnc1N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000522625202 1069684296 /nfs/dbraw/zinc/68/42/96/1069684296.db2.gz QMPNGCKAKJTDNQ-UHFFFAOYSA-N 0 0 459.488 0.604 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1cccs1 ZINC000522625316 1069684240 /nfs/dbraw/zinc/68/42/40/1069684240.db2.gz YCXPFHFQUYPQGP-AWEZNQCLSA-N 0 0 457.581 0.970 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1cccs1 ZINC000522625317 1069684293 /nfs/dbraw/zinc/68/42/93/1069684293.db2.gz YCXPFHFQUYPQGP-CQSZACIVSA-N 0 0 457.581 0.970 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)N2CCOCC2)cc1F ZINC000522626171 1069684312 /nfs/dbraw/zinc/68/43/12/1069684312.db2.gz SGMVAPKGSRCLGZ-UHFFFAOYSA-N 0 0 466.494 0.804 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCCNS(=O)(=O)CC)n2c2ccccc2c1=O ZINC000522670901 1069685022 /nfs/dbraw/zinc/68/50/22/1069685022.db2.gz PQVSPCFWADVYAA-UHFFFAOYSA-N 0 0 464.573 0.768 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)cc2c1OCO2 ZINC000522673385 1069684991 /nfs/dbraw/zinc/68/49/91/1069684991.db2.gz MLOAJKDQAJZEEE-UHFFFAOYSA-N 0 0 497.573 0.852 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000522674053 1069685756 /nfs/dbraw/zinc/68/57/56/1069685756.db2.gz NCZSBRHSYNGGBW-UHFFFAOYSA-N 0 0 481.574 0.901 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1=O ZINC000522720468 1069687172 /nfs/dbraw/zinc/68/71/72/1069687172.db2.gz RVUBLPUVCOSLGW-UHFFFAOYSA-N 0 0 452.389 0.967 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O ZINC000522721147 1069687619 /nfs/dbraw/zinc/68/76/19/1069687619.db2.gz JYFYQRRYRPXBTH-AWEZNQCLSA-N 0 0 450.517 0.871 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O ZINC000522721148 1069687469 /nfs/dbraw/zinc/68/74/69/1069687469.db2.gz JYFYQRRYRPXBTH-CQSZACIVSA-N 0 0 450.517 0.871 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)C1=O ZINC000522726603 1069687262 /nfs/dbraw/zinc/68/72/62/1069687262.db2.gz VVMKZVKYAORIJW-UHFFFAOYSA-N 0 0 498.565 0.897 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000522897781 1069692706 /nfs/dbraw/zinc/69/27/06/1069692706.db2.gz MUYQNQQRJGYCCL-UHFFFAOYSA-N 0 0 454.552 0.934 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1=O ZINC000522975437 1069696106 /nfs/dbraw/zinc/69/61/06/1069696106.db2.gz OQPQCRKOPKRYQT-UHFFFAOYSA-N 0 0 491.508 0.283 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(S(=O)(=O)N(CC)CC)ccc32)C1=O ZINC000523003633 1069698795 /nfs/dbraw/zinc/69/87/95/1069698795.db2.gz SQFSKZLXKRILTR-UHFFFAOYSA-N 0 0 462.528 0.973 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1=C(C#N)C(=O)NC ZINC000523079466 1069719135 /nfs/dbraw/zinc/71/91/35/1069719135.db2.gz LVAPUGNOKUBJCR-UHFFFAOYSA-N 0 0 468.438 0.705 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523079511 1069718808 /nfs/dbraw/zinc/71/88/08/1069718808.db2.gz XQJHRJNUNKZSLH-UHFFFAOYSA-N 0 0 455.536 0.243 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCC(C)C ZINC000523080111 1069718896 /nfs/dbraw/zinc/71/88/96/1069718896.db2.gz ANXYTNYARQWXBM-UHFFFAOYSA-N 0 0 477.608 0.625 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523080173 1069719014 /nfs/dbraw/zinc/71/90/14/1069719014.db2.gz PPXNPHJAFRLHRJ-UHFFFAOYSA-N 0 0 464.525 0.278 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)cc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523080182 1069718970 /nfs/dbraw/zinc/71/89/70/1069718970.db2.gz RBLGVAMTFFPRJV-UHFFFAOYSA-N 0 0 484.622 0.515 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000523080206 1069719031 /nfs/dbraw/zinc/71/90/31/1069719031.db2.gz XJVJWYCVSBNLBB-UHFFFAOYSA-N 0 0 459.524 0.331 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000523081435 1069719718 /nfs/dbraw/zinc/71/97/18/1069719718.db2.gz KYCQLAICBKAQRY-UHFFFAOYSA-N 0 0 473.551 0.373 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523081445 1069719548 /nfs/dbraw/zinc/71/95/48/1069719548.db2.gz PXILUHKVOHJIIW-UHFFFAOYSA-N 0 0 471.535 0.079 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000523081450 1069719602 /nfs/dbraw/zinc/71/96/02/1069719602.db2.gz SQEDSQCRTDOQCM-UHFFFAOYSA-N 0 0 455.536 0.889 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000523081526 1069719860 /nfs/dbraw/zinc/71/98/60/1069719860.db2.gz UWPHCQPMOKLMHK-UHFFFAOYSA-N 0 0 481.534 0.593 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523081527 1069719673 /nfs/dbraw/zinc/71/96/73/1069719673.db2.gz UYZVDBFUNXIEOK-UHFFFAOYSA-N 0 0 461.515 0.456 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523081537 1069719513 /nfs/dbraw/zinc/71/95/13/1069719513.db2.gz YXCWGLDFKWMZMC-UHFFFAOYSA-N 0 0 485.566 0.522 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523088243 1069719820 /nfs/dbraw/zinc/71/98/20/1069719820.db2.gz FXFMIEBTIWYJBY-UHFFFAOYSA-N 0 0 498.540 0.028 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOCC ZINC000523088249 1069719769 /nfs/dbraw/zinc/71/97/69/1069719769.db2.gz HSYGEXNGBARUAM-UHFFFAOYSA-N 0 0 468.514 0.471 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523088312 1069720403 /nfs/dbraw/zinc/72/04/03/1069720403.db2.gz YBWLVBYWYTXVMB-UHFFFAOYSA-N 0 0 454.596 0.922 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000523088785 1069719566 /nfs/dbraw/zinc/71/95/66/1069719566.db2.gz BQXWQECCKRCSCG-UHFFFAOYSA-N 0 0 459.524 0.760 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)NC1CC1 ZINC000523088798 1069719735 /nfs/dbraw/zinc/71/97/35/1069719735.db2.gz CVHJWOTVSPKBJU-UHFFFAOYSA-N 0 0 473.551 0.754 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2sccc2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523088818 1069719844 /nfs/dbraw/zinc/71/98/44/1069719844.db2.gz GDZXZGRPSHNJHA-UHFFFAOYSA-N 0 0 460.625 0.983 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523088862 1069719619 /nfs/dbraw/zinc/71/96/19/1069719619.db2.gz NMCXNCMPMDEYQV-UHFFFAOYSA-N 0 0 484.622 0.931 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523088946 1069719750 /nfs/dbraw/zinc/71/97/50/1069719750.db2.gz WOPYRNQSYOHUDC-UHFFFAOYSA-N 0 0 497.042 0.613 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2OCC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523088954 1069719791 /nfs/dbraw/zinc/71/97/91/1069719791.db2.gz XRONWFVTDMNPRF-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523088958 1069719831 /nfs/dbraw/zinc/71/98/31/1069719831.db2.gz YBMJGNACTRBCDO-UHFFFAOYSA-N 0 0 474.558 0.037 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523089497 1069718461 /nfs/dbraw/zinc/71/84/61/1069718461.db2.gz HVQKUMZRVGUBJG-UHFFFAOYSA-N 0 0 476.624 0.268 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000523089504 1069718235 /nfs/dbraw/zinc/71/82/35/1069718235.db2.gz IYVJAGZCIJBUBZ-UHFFFAOYSA-N 0 0 480.384 0.974 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OCC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523089523 1069718217 /nfs/dbraw/zinc/71/82/17/1069718217.db2.gz KCUGLJGLMNNSLC-UHFFFAOYSA-N 0 0 487.578 0.715 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523089533 1069719077 /nfs/dbraw/zinc/71/90/77/1069719077.db2.gz LGDMOXHJEJFFRC-UHFFFAOYSA-N 0 0 476.549 0.892 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523089534 1069719019 /nfs/dbraw/zinc/71/90/19/1069719019.db2.gz LGQQIYXVLDSMGC-UHFFFAOYSA-N 0 0 491.013 0.551 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)cc2Cl)sc1=C(C#N)C(=O)NCCOC ZINC000523089579 1069718123 /nfs/dbraw/zinc/71/81/23/1069718123.db2.gz PKNBXMVQNDQXAY-UHFFFAOYSA-N 0 0 465.959 0.874 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523089612 1069718254 /nfs/dbraw/zinc/71/82/54/1069718254.db2.gz RRYCLPKYTMCLND-UHFFFAOYSA-N 0 0 458.496 0.216 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)ccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523089613 1069718384 /nfs/dbraw/zinc/71/83/84/1069718384.db2.gz RTRQNFVKNUYTJH-UHFFFAOYSA-N 0 0 484.622 0.515 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@H](C)O3)sc1=C(C#N)C(=O)NCCOC ZINC000523090163 1069719120 /nfs/dbraw/zinc/71/91/20/1069719120.db2.gz CWXPAWCNKJUGSB-HNNXBMFYSA-N 0 0 487.578 0.544 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@@H](C)O3)sc1=C(C#N)C(=O)NCCOC ZINC000523090164 1069718920 /nfs/dbraw/zinc/71/89/20/1069718920.db2.gz CWXPAWCNKJUGSB-OAHLLOKOSA-N 0 0 487.578 0.544 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(Br)ccc2OC)sc1=C(C#N)C(=O)NC ZINC000523090213 1069719009 /nfs/dbraw/zinc/71/90/09/1069719009.db2.gz LEZBHOFKPHQIDD-UHFFFAOYSA-N 0 0 466.357 0.966 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523090219 1069718863 /nfs/dbraw/zinc/71/88/63/1069718863.db2.gz MUWGLBBWTZPPDK-UHFFFAOYSA-N 0 0 464.547 0.856 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@H](C)O3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523090220 1069718981 /nfs/dbraw/zinc/71/89/81/1069718981.db2.gz MXKMTDZXESVEMR-INIZCTEOSA-N 0 0 499.589 0.640 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@@H](C)O3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523090221 1069718998 /nfs/dbraw/zinc/71/89/98/1069718998.db2.gz MXKMTDZXESVEMR-MRXNPFEDSA-N 0 0 499.589 0.640 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)cc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523090250 1069718933 /nfs/dbraw/zinc/71/89/33/1069718933.db2.gz ROUFLBKJYDECIV-UHFFFAOYSA-N 0 0 473.551 0.325 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000523090260 1069719109 /nfs/dbraw/zinc/71/91/09/1069719109.db2.gz SZQMOTIWVPCBIV-UHFFFAOYSA-N 0 0 493.969 0.637 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000523090288 1069718786 /nfs/dbraw/zinc/71/87/86/1069718786.db2.gz WZEALKLUFRKJQY-UHFFFAOYSA-N 0 0 471.535 0.809 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1ccccn1 ZINC000523178248 1069737502 /nfs/dbraw/zinc/73/75/02/1069737502.db2.gz JQAOCGCTMBBBGH-UHFFFAOYSA-N 0 0 491.529 0.818 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 ZINC000523178551 1069737748 /nfs/dbraw/zinc/73/77/48/1069737748.db2.gz YGJIVNVPCYIUPZ-UHFFFAOYSA-N 0 0 497.558 0.879 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(F)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523178679 1069737615 /nfs/dbraw/zinc/73/76/15/1069737615.db2.gz FJHHYTLSHWCDMA-UHFFFAOYSA-N 0 0 483.525 0.625 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 ZINC000523178972 1069741170 /nfs/dbraw/zinc/74/11/70/1069741170.db2.gz TVDPIZDFTODASD-UHFFFAOYSA-N 0 0 480.594 0.715 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C)cc3C)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523179376 1069738360 /nfs/dbraw/zinc/73/83/60/1069738360.db2.gz NROVFWKBBRPCNM-UHFFFAOYSA-N 0 0 451.552 0.998 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1cnn(CC)c1 ZINC000523179494 1069738244 /nfs/dbraw/zinc/73/82/44/1069738244.db2.gz SPNVEAOIVNMLGK-UHFFFAOYSA-N 0 0 450.480 0.829 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523179569 1069738187 /nfs/dbraw/zinc/73/81/87/1069738187.db2.gz XGGFIISNFVVCFS-UHFFFAOYSA-N 0 0 482.522 0.679 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3sccc3C)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523179597 1069738218 /nfs/dbraw/zinc/73/82/18/1069738218.db2.gz YHBYIMUZULKNBS-UHFFFAOYSA-N 0 0 455.565 0.847 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C)ccc3C)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523179674 1069738161 /nfs/dbraw/zinc/73/81/61/1069738161.db2.gz DPPLJZUSPPCGSQ-UHFFFAOYSA-N 0 0 451.552 0.998 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523179678 1069738293 /nfs/dbraw/zinc/73/82/93/1069738293.db2.gz FBAPAFSVWWVVAM-UHFFFAOYSA-N 0 0 455.515 0.910 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000523179790 1069738228 /nfs/dbraw/zinc/73/82/28/1069738228.db2.gz KDSAQUFDEBLVMB-UHFFFAOYSA-N 0 0 462.579 0.783 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccs3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000523179954 1069737651 /nfs/dbraw/zinc/73/76/51/1069737651.db2.gz ROMBMLIASMOWDG-UHFFFAOYSA-N 0 0 484.607 0.128 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1CCc1ccccn1 ZINC000523179998 1069737544 /nfs/dbraw/zinc/73/75/44/1069737544.db2.gz ULBFGOWESHZYIA-UHFFFAOYSA-N 0 0 453.549 0.366 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523180174 1069738844 /nfs/dbraw/zinc/73/88/44/1069738844.db2.gz CRKRZYPQHSXDRS-HNNXBMFYSA-N 0 0 467.551 0.778 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523180175 1069738876 /nfs/dbraw/zinc/73/88/76/1069738876.db2.gz CRKRZYPQHSXDRS-OAHLLOKOSA-N 0 0 467.551 0.778 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCCOC(C)C)cn1 ZINC000523180306 1069738904 /nfs/dbraw/zinc/73/89/04/1069738904.db2.gz JIQMMQNRIBJQTF-UHFFFAOYSA-N 0 0 466.567 0.945 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1CCc1ccccn1 ZINC000523180537 1069738345 /nfs/dbraw/zinc/73/83/45/1069738345.db2.gz VMVLRRCGGLCBMP-UHFFFAOYSA-N 0 0 452.561 0.971 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCc1ccccn1 ZINC000523180554 1069738350 /nfs/dbraw/zinc/73/83/50/1069738350.db2.gz WNSUVJZPVQGPLK-UHFFFAOYSA-N 0 0 494.573 0.830 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(OC)c3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523180607 1069738867 /nfs/dbraw/zinc/73/88/67/1069738867.db2.gz ZBZCYRQVCYXKNT-UHFFFAOYSA-N 0 0 497.577 0.788 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCCOC(C)C)cn1 ZINC000523180640 1069738684 /nfs/dbraw/zinc/73/86/84/1069738684.db2.gz AKLMLBSXJITKGY-UHFFFAOYSA-N 0 0 469.571 0.283 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2ccccn2)c1=O ZINC000523180646 1069738322 /nfs/dbraw/zinc/73/83/22/1069738322.db2.gz APPZFOMAZKFTDJ-UHFFFAOYSA-N 0 0 476.558 0.918 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000523180657 1069738151 /nfs/dbraw/zinc/73/81/51/1069738151.db2.gz BAXVZVUYRJLTQP-UHFFFAOYSA-N 0 0 461.555 0.718 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)c1 ZINC000523180658 1069738309 /nfs/dbraw/zinc/73/83/09/1069738309.db2.gz BEUGJMFDOCSWAY-UHFFFAOYSA-N 0 0 467.551 0.780 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)c2ccc3c(c2)OCO3)cn1 ZINC000523180712 1069738268 /nfs/dbraw/zinc/73/82/68/1069738268.db2.gz CZAGTGIEMPJPIU-UHFFFAOYSA-N 0 0 474.502 0.964 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1ccccn1 ZINC000523180774 1069738280 /nfs/dbraw/zinc/73/82/80/1069738280.db2.gz HAYAXZVXQGPHSB-UHFFFAOYSA-N 0 0 491.529 0.818 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc4c(c(OC)c3)OCO4)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000523180848 1069738257 /nfs/dbraw/zinc/73/82/57/1069738257.db2.gz KFLBPJARERDACL-UHFFFAOYSA-N 0 0 481.534 0.880 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523180851 1069738334 /nfs/dbraw/zinc/73/83/34/1069738334.db2.gz KIEJHLJJNQAOBX-UHFFFAOYSA-N 0 0 465.535 0.486 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1ccccn1 ZINC000523180964 1069738340 /nfs/dbraw/zinc/73/83/40/1069738340.db2.gz PDUBQSVPAUAMHD-UHFFFAOYSA-N 0 0 479.518 0.721 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(F)c3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523180987 1069738206 /nfs/dbraw/zinc/73/82/06/1069738206.db2.gz PXGYJOSOOBCZMV-AWEZNQCLSA-N 0 0 455.515 0.909 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(F)c3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523180988 1069738174 /nfs/dbraw/zinc/73/81/74/1069738174.db2.gz PXGYJOSOOBCZMV-CQSZACIVSA-N 0 0 455.515 0.909 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4ncccc4c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523181069 1069738198 /nfs/dbraw/zinc/73/81/98/1069738198.db2.gz VFULYKVHEDMPIJ-UHFFFAOYSA-N 0 0 474.546 0.929 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1ccccn1 ZINC000523181223 1069738856 /nfs/dbraw/zinc/73/88/56/1069738856.db2.gz CCUPTGLGMRJNPN-UHFFFAOYSA-N 0 0 479.562 0.092 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCc1ccccn1 ZINC000523181256 1069739301 /nfs/dbraw/zinc/73/93/01/1069739301.db2.gz DQFBYKYCDZAANP-UHFFFAOYSA-N 0 0 492.557 0.584 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cc1OC ZINC000523181297 1069739582 /nfs/dbraw/zinc/73/95/82/1069739582.db2.gz GMQVKJCOIRMFBX-UHFFFAOYSA-N 0 0 497.577 0.788 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(F)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523181442 1069739316 /nfs/dbraw/zinc/73/93/16/1069739316.db2.gz MVXGURGKZXAZBF-UHFFFAOYSA-N 0 0 471.514 0.529 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 ZINC000523181453 1069739521 /nfs/dbraw/zinc/73/95/21/1069739521.db2.gz NHGMRINFEIVHHW-UHFFFAOYSA-N 0 0 466.567 0.327 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCc1ccccn1 ZINC000523181635 1069739481 /nfs/dbraw/zinc/73/94/81/1069739481.db2.gz WTQFCKOOHHQFLR-UHFFFAOYSA-N 0 0 491.573 0.772 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1ccccn1 ZINC000523181739 1069738726 /nfs/dbraw/zinc/73/87/26/1069738726.db2.gz BWYWZHWAYGAMIW-UHFFFAOYSA-N 0 0 494.598 0.756 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(OC)c4c(c3)OCCO4)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000523181813 1069738763 /nfs/dbraw/zinc/73/87/63/1069738763.db2.gz HIWBAHKWFLSJLK-UHFFFAOYSA-N 0 0 495.561 0.923 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3F)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523181822 1069738738 /nfs/dbraw/zinc/73/87/38/1069738738.db2.gz HOFJKEHQDVZGHV-AWEZNQCLSA-N 0 0 455.515 0.909 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3F)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523181823 1069738772 /nfs/dbraw/zinc/73/87/72/1069738772.db2.gz HOFJKEHQDVZGHV-CQSZACIVSA-N 0 0 455.515 0.909 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3F)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523181840 1069738833 /nfs/dbraw/zinc/73/88/33/1069738833.db2.gz ICKAQQROOXUWNZ-UHFFFAOYSA-N 0 0 471.489 0.755 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1ccccn1 ZINC000523181899 1069738792 /nfs/dbraw/zinc/73/87/92/1069738792.db2.gz KZOZZWDUDVXPOB-UHFFFAOYSA-N 0 0 468.560 0.200 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3F)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000523181931 1069738746 /nfs/dbraw/zinc/73/87/46/1069738746.db2.gz MTBCEVWKNNAWIX-UHFFFAOYSA-N 0 0 480.569 0.922 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C)s3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523181933 1069738811 /nfs/dbraw/zinc/73/88/11/1069738811.db2.gz MWEOWXHQDMEAAU-UHFFFAOYSA-N 0 0 455.565 0.847 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)o1 ZINC000523181988 1069738823 /nfs/dbraw/zinc/73/88/23/1069738823.db2.gz PNSXTBHJAZENEM-UHFFFAOYSA-N 0 0 450.520 0.811 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)c1 ZINC000523182019 1069738803 /nfs/dbraw/zinc/73/88/03/1069738803.db2.gz QYPKWRFGIONWFG-UHFFFAOYSA-N 0 0 476.558 0.918 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1cnn(CC)c1 ZINC000523182029 1069738780 /nfs/dbraw/zinc/73/87/80/1069738780.db2.gz RIEJVVGJVDXYAB-UHFFFAOYSA-N 0 0 490.524 0.640 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCc1ccccn1 ZINC000523182032 1069738700 /nfs/dbraw/zinc/73/87/00/1069738700.db2.gz RQTLUOUPCLETPT-UHFFFAOYSA-N 0 0 496.545 0.501 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(-n4cncn4)c(F)c3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523182058 1069738713 /nfs/dbraw/zinc/73/87/13/1069738713.db2.gz SSMLKCXSMGVRSP-UHFFFAOYSA-N 0 0 490.524 0.617 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cnn(CC)c1 ZINC000523182071 1069738887 /nfs/dbraw/zinc/73/88/87/1069738887.db2.gz UHNAMMVLQCPMQO-UHFFFAOYSA-N 0 0 463.519 0.707 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1cnn(CC)c1 ZINC000523182219 1069739329 /nfs/dbraw/zinc/73/93/29/1069739329.db2.gz AQZNQWVURIYXOU-UHFFFAOYSA-N 0 0 472.596 0.926 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3csc(C)n3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523182242 1069739557 /nfs/dbraw/zinc/73/95/57/1069739557.db2.gz BUEFUPVXABRGDZ-UHFFFAOYSA-N 0 0 456.553 0.242 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(OC)c3OC)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523182256 1069739879 /nfs/dbraw/zinc/73/98/79/1069739879.db2.gz CGAXNFJTXHZGSR-UHFFFAOYSA-N 0 0 495.561 0.923 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523182266 1069739970 /nfs/dbraw/zinc/73/99/70/1069739970.db2.gz CPECOVIZVYXPAQ-UHFFFAOYSA-N 0 0 482.522 0.679 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523182291 1069740144 /nfs/dbraw/zinc/74/01/44/1069740144.db2.gz DTZWTHVGDLPXMS-UHFFFAOYSA-N 0 0 467.507 0.110 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1cnn(CC)c1 ZINC000523182338 1069740061 /nfs/dbraw/zinc/74/00/61/1069740061.db2.gz HEGVVLVOEWGBOK-UHFFFAOYSA-N 0 0 462.535 0.879 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523182443 1069740046 /nfs/dbraw/zinc/74/00/46/1069740046.db2.gz MENYTWHOAKPQRO-UHFFFAOYSA-N 0 0 453.524 0.390 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cc1 ZINC000523182460 1069739918 /nfs/dbraw/zinc/73/99/18/1069739918.db2.gz NCXXBKZJPVHIID-UHFFFAOYSA-N 0 0 467.551 0.780 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cnn(CC)c3)c2=O)cc1 ZINC000523182482 1069739934 /nfs/dbraw/zinc/73/99/34/1069739934.db2.gz NXXWCQSHVMSWFD-UHFFFAOYSA-N 0 0 479.562 0.876 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCCO4)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523182490 1069740162 /nfs/dbraw/zinc/74/01/62/1069740162.db2.gz OMWBAFCLVJYKLZ-UHFFFAOYSA-N 0 0 495.561 0.542 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523182512 1069739856 /nfs/dbraw/zinc/73/98/56/1069739856.db2.gz PJCKXCJVCYSHGG-AWEZNQCLSA-N 0 0 482.522 0.678 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523182513 1069740093 /nfs/dbraw/zinc/74/00/93/1069740093.db2.gz PJCKXCJVCYSHGG-CQSZACIVSA-N 0 0 482.522 0.678 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523182537 1069740130 /nfs/dbraw/zinc/74/01/30/1069740130.db2.gz QJNFBCFNVSTIGP-AWEZNQCLSA-N 0 0 455.515 0.909 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523182538 1069739981 /nfs/dbraw/zinc/73/99/81/1069739981.db2.gz QJNFBCFNVSTIGP-CQSZACIVSA-N 0 0 455.515 0.909 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1CCc1ccccn1 ZINC000523182572 1069739545 /nfs/dbraw/zinc/73/95/45/1069739545.db2.gz RTVFVUGQGFRZIF-UHFFFAOYSA-N 0 0 495.630 0.560 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523182573 1069739273 /nfs/dbraw/zinc/73/92/73/1069739273.db2.gz RVKOKYPMCAHLHU-UHFFFAOYSA-N 0 0 463.519 0.692 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523182576 1069739506 /nfs/dbraw/zinc/73/95/06/1069739506.db2.gz RZKSBQSFQOTALS-UHFFFAOYSA-N 0 0 480.506 0.385 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC(F)F)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523182604 1069739867 /nfs/dbraw/zinc/73/98/67/1069739867.db2.gz TXXCGFZVSMAVRS-UHFFFAOYSA-N 0 0 489.504 0.982 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523182607 1069740179 /nfs/dbraw/zinc/74/01/79/1069740179.db2.gz UBZAZDBTFCURQR-AWEZNQCLSA-N 0 0 482.522 0.678 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523182608 1069740074 /nfs/dbraw/zinc/74/00/74/1069740074.db2.gz UBZAZDBTFCURQR-CQSZACIVSA-N 0 0 482.522 0.678 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523182614 1069740015 /nfs/dbraw/zinc/74/00/15/1069740015.db2.gz UHRMUDJLBUIAQI-UHFFFAOYSA-N 0 0 493.545 0.248 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1cnn(CC)c1 ZINC000523182728 1069739418 /nfs/dbraw/zinc/73/94/18/1069739418.db2.gz YWXCRPJFAFBXFJ-UHFFFAOYSA-N 0 0 479.562 0.946 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(NC(C)=O)cc3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523182731 1069739465 /nfs/dbraw/zinc/73/94/65/1069739465.db2.gz YZTGIWVETIYLCH-UHFFFAOYSA-N 0 0 494.577 0.730 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523182898 1069739358 /nfs/dbraw/zinc/73/93/58/1069739358.db2.gz HLMXTOKYDQIKMA-UHFFFAOYSA-N 0 0 453.524 0.390 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3csc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523182954 1069739439 /nfs/dbraw/zinc/73/94/39/1069739439.db2.gz JZPHBUYFOBDCCF-UHFFFAOYSA-N 0 0 456.509 0.867 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C(=O)OC)c(C)o3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523182966 1069739532 /nfs/dbraw/zinc/73/95/32/1069739532.db2.gz KHDSALMNGPBOTH-UHFFFAOYSA-N 0 0 499.549 0.459 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000523182989 1069739387 /nfs/dbraw/zinc/73/93/87/1069739387.db2.gz LIDANXQCNLXSKG-UHFFFAOYSA-N 0 0 463.567 0.178 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1-c1cnn(CC)c1 ZINC000523183005 1069739450 /nfs/dbraw/zinc/73/94/50/1069739450.db2.gz MGJWHMLIJKGHFQ-UHFFFAOYSA-N 0 0 465.535 0.938 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1cnn(CC)c1 ZINC000523183089 1069739571 /nfs/dbraw/zinc/73/95/71/1069739571.db2.gz QFCAEJQSTFZKGW-UHFFFAOYSA-N 0 0 456.509 0.890 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(S(C)(=O)=O)cc3)sc2=C(C#N)C(=O)N2CCCC2)cn1 ZINC000523183094 1069739377 /nfs/dbraw/zinc/73/93/77/1069739377.db2.gz QNAIETOHOBNNFA-UHFFFAOYSA-N 0 0 497.602 0.644 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cnn(CC)c1 ZINC000523183117 1069739489 /nfs/dbraw/zinc/73/94/89/1069739489.db2.gz RRVBJNVARLKHMF-UHFFFAOYSA-N 0 0 458.569 0.618 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cnn(CC)c1 ZINC000523183171 1069739999 /nfs/dbraw/zinc/73/99/99/1069739999.db2.gz VQTGQPMVTKMOHO-UHFFFAOYSA-N 0 0 483.575 0.324 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1OCC(N)=O ZINC000523233135 1069750254 /nfs/dbraw/zinc/75/02/54/1069750254.db2.gz KIHFWIKOGLHKDB-UHFFFAOYSA-N 0 0 455.446 0.857 20 30 JCEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc2O1 ZINC000523233952 1069751512 /nfs/dbraw/zinc/75/15/12/1069751512.db2.gz QMIWHVTVPKVEKN-FQEVSTJZSA-N 0 0 451.458 0.886 20 30 JCEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc2O1 ZINC000523233953 1069751496 /nfs/dbraw/zinc/75/14/96/1069751496.db2.gz QMIWHVTVPKVEKN-HXUWFJFHSA-N 0 0 451.458 0.886 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)c(F)c1 ZINC000523236069 1069751546 /nfs/dbraw/zinc/75/15/46/1069751546.db2.gz AVUACKVQUSEJLE-UHFFFAOYSA-N 0 0 452.446 0.200 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000523238801 1069753555 /nfs/dbraw/zinc/75/35/55/1069753555.db2.gz APUQHKCXAPUFMO-UHFFFAOYSA-N 0 0 481.484 0.816 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 ZINC000523239204 1069753078 /nfs/dbraw/zinc/75/30/78/1069753078.db2.gz UNBJULKKPBXKSX-UHFFFAOYSA-N 0 0 453.484 0.828 20 30 JCEDRN N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000523244484 1069749851 /nfs/dbraw/zinc/74/98/51/1069749851.db2.gz SRWUEIIGXQYTNL-UHFFFAOYSA-N 0 0 483.550 0.866 20 30 JCEDRN N#Cc1ccccc1N1CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000523244611 1069748881 /nfs/dbraw/zinc/74/88/81/1069748881.db2.gz YZCUVFDRRWCZCC-HSZRJFAPSA-N 0 0 489.532 0.860 20 30 JCEDRN N#Cc1ccccc1N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000523244612 1069749736 /nfs/dbraw/zinc/74/97/36/1069749736.db2.gz YZCUVFDRRWCZCC-QHCPKHFHSA-N 0 0 489.532 0.860 20 30 JCEDRN N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000523251062 1069753748 /nfs/dbraw/zinc/75/37/48/1069753748.db2.gz GKNWGPBLFVEADC-UHFFFAOYSA-N 0 0 490.564 0.908 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)o1 ZINC000523251595 1069754221 /nfs/dbraw/zinc/75/42/21/1069754221.db2.gz BOKZXGDAOPSHAE-UHFFFAOYSA-N 0 0 464.503 0.261 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523251631 1069754450 /nfs/dbraw/zinc/75/44/50/1069754450.db2.gz DCJMVOTXPVWYMC-UHFFFAOYSA-N 0 0 466.544 0.421 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523251657 1069754392 /nfs/dbraw/zinc/75/43/92/1069754392.db2.gz FCLSTQSUWOJNCK-UHFFFAOYSA-N 0 0 483.575 0.500 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523251755 1069754235 /nfs/dbraw/zinc/75/42/35/1069754235.db2.gz IOUQEQCKVAXPGC-UHFFFAOYSA-N 0 0 469.548 0.110 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523251852 1069754347 /nfs/dbraw/zinc/75/43/47/1069754347.db2.gz NCKUECKXUOUYJL-UHFFFAOYSA-N 0 0 480.571 0.977 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523251940 1069754327 /nfs/dbraw/zinc/75/43/27/1069754327.db2.gz QGQIBDXVSBSMBA-UHFFFAOYSA-N 0 0 451.533 0.580 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523251941 1069754543 /nfs/dbraw/zinc/75/45/43/1069754543.db2.gz QIILJKQRAZMMAU-UHFFFAOYSA-N 0 0 459.531 0.955 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 ZINC000523252326 1069499490 /nfs/dbraw/zinc/49/94/90/1069499490.db2.gz HMGFFRRCSSCBAQ-UHFFFAOYSA-N 0 0 481.559 0.125 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000523252367 1069755042 /nfs/dbraw/zinc/75/50/42/1069755042.db2.gz JBEPIFBXKGDLGV-UHFFFAOYSA-N 0 0 476.558 0.826 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000523252661 1069755150 /nfs/dbraw/zinc/75/51/50/1069755150.db2.gz VDTWLPDAQULRHB-UHFFFAOYSA-N 0 0 474.542 0.668 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523252663 1069755009 /nfs/dbraw/zinc/75/50/09/1069755009.db2.gz VEQOGPCNSJNNJY-UHFFFAOYSA-N 0 0 469.548 0.029 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC ZINC000523253967 1069755023 /nfs/dbraw/zinc/75/50/23/1069755023.db2.gz GYRFNRAWYDSRJT-UHFFFAOYSA-N 0 0 480.546 0.967 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1OC ZINC000523254376 1069755253 /nfs/dbraw/zinc/75/52/53/1069755253.db2.gz AFOZYPJBXMZCSG-UHFFFAOYSA-N 0 0 490.541 0.797 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523254543 1069755213 /nfs/dbraw/zinc/75/52/13/1069755213.db2.gz HSGRYMZECBECRL-UHFFFAOYSA-N 0 0 493.501 0.172 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000523254590 1069755170 /nfs/dbraw/zinc/75/51/70/1069755170.db2.gz JFOBGGBAYPPBLT-UHFFFAOYSA-N 0 0 487.585 0.665 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000523254600 1069755184 /nfs/dbraw/zinc/75/51/84/1069755184.db2.gz JUGFRXSGWHVAKL-UHFFFAOYSA-N 0 0 467.503 0.871 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1cc(OC)ccc1OC ZINC000523254714 1069755202 /nfs/dbraw/zinc/75/52/02/1069755202.db2.gz NVSVVQJPCPEQSX-UHFFFAOYSA-N 0 0 486.575 0.947 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000523254757 1069755033 /nfs/dbraw/zinc/75/50/33/1069755033.db2.gz PUZBAVYBOCFYFR-UHFFFAOYSA-N 0 0 481.534 0.012 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523254778 1069755160 /nfs/dbraw/zinc/75/51/60/1069755160.db2.gz QRDLJWKJQUPYGY-UHFFFAOYSA-N 0 0 480.521 0.793 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000523254823 1069755269 /nfs/dbraw/zinc/75/52/69/1069755269.db2.gz SEVPAYKIDHLPLS-UHFFFAOYSA-N 0 0 451.508 0.455 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523254833 1069755116 /nfs/dbraw/zinc/75/51/16/1069755116.db2.gz SLHTWELBTREUFC-UHFFFAOYSA-N 0 0 466.494 0.403 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000523254870 1069755086 /nfs/dbraw/zinc/75/50/86/1069755086.db2.gz VCZBAILQKMRICG-UHFFFAOYSA-N 0 0 453.524 0.679 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)o1 ZINC000523254912 1069755108 /nfs/dbraw/zinc/75/51/08/1069755108.db2.gz XLECKTPWWRBUGY-UHFFFAOYSA-N 0 0 484.559 0.289 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523255022 1069755191 /nfs/dbraw/zinc/75/51/91/1069755191.db2.gz BRYUXNUVLVMZJI-UHFFFAOYSA-N 0 0 468.560 0.634 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523255107 1069755235 /nfs/dbraw/zinc/75/52/35/1069755235.db2.gz FXAVEVSBTDVTAD-UHFFFAOYSA-N 0 0 494.598 0.985 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523255536 1069755766 /nfs/dbraw/zinc/75/57/66/1069755766.db2.gz WZCMTSORDQGQDF-UHFFFAOYSA-N 0 0 482.949 0.917 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523255623 1069755769 /nfs/dbraw/zinc/75/57/69/1069755769.db2.gz ACEMJBUOUOHRBF-UHFFFAOYSA-N 0 0 493.501 0.172 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000523255679 1069755801 /nfs/dbraw/zinc/75/58/01/1069755801.db2.gz BUERUBIFFHNHHD-UHFFFAOYSA-N 0 0 470.514 0.873 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523255680 1069755718 /nfs/dbraw/zinc/75/57/18/1069755718.db2.gz BULGKQQLBAJHPE-UHFFFAOYSA-N 0 0 490.513 0.133 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523255736 1069755787 /nfs/dbraw/zinc/75/57/87/1069755787.db2.gz DUFSGZJFUOMHAB-UHFFFAOYSA-N 0 0 476.514 0.754 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523255738 1069755780 /nfs/dbraw/zinc/75/57/80/1069755780.db2.gz DZCSHXKGKDVNBD-UHFFFAOYSA-N 0 0 450.524 0.007 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523255764 1069755753 /nfs/dbraw/zinc/75/57/53/1069755753.db2.gz FZGXAQPVUWIQPE-UHFFFAOYSA-N 0 0 475.486 0.688 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523255897 1069755757 /nfs/dbraw/zinc/75/57/57/1069755757.db2.gz LRJOOMXVQIIXJY-UHFFFAOYSA-N 0 0 477.502 0.935 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256039 1069755773 /nfs/dbraw/zinc/75/57/73/1069755773.db2.gz RHJCHVSUNPKBGC-UHFFFAOYSA-N 0 0 450.524 0.151 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256054 1069755748 /nfs/dbraw/zinc/75/57/48/1069755748.db2.gz RUQUCHLEEHCBAH-UHFFFAOYSA-N 0 0 488.525 0.574 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256102 1069755751 /nfs/dbraw/zinc/75/57/51/1069755751.db2.gz UCKXRJPYQHZILF-UHFFFAOYSA-N 0 0 496.932 0.672 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000523256138 1069755051 /nfs/dbraw/zinc/75/50/51/1069755051.db2.gz VGOANXXKNVGEOA-UHFFFAOYSA-N 0 0 477.546 0.258 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256167 1069755073 /nfs/dbraw/zinc/75/50/73/1069755073.db2.gz WPGJXCCIXLWVJF-UHFFFAOYSA-N 0 0 480.521 0.711 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256253 1069755710 /nfs/dbraw/zinc/75/57/10/1069755710.db2.gz ZRLWBSVUDHSPCC-UHFFFAOYSA-N 0 0 475.486 0.688 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256258 1069755729 /nfs/dbraw/zinc/75/57/29/1069755729.db2.gz ZVWQBXIXHSZCPF-UHFFFAOYSA-N 0 0 498.561 0.526 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256281 1069756342 /nfs/dbraw/zinc/75/63/42/1069756342.db2.gz ANRMIDMQIOXKTG-UHFFFAOYSA-N 0 0 476.558 0.880 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256324 1069756406 /nfs/dbraw/zinc/75/64/06/1069756406.db2.gz CFSRFNIAUGRNOO-UHFFFAOYSA-N 0 0 499.530 0.233 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256345 1069756223 /nfs/dbraw/zinc/75/62/23/1069756223.db2.gz DOIUIWTWURTSHU-UHFFFAOYSA-N 0 0 455.499 0.795 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256477 1069756267 /nfs/dbraw/zinc/75/62/67/1069756267.db2.gz JOUOAPFLKSGZSE-UHFFFAOYSA-N 0 0 496.614 0.943 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000523256501 1069756284 /nfs/dbraw/zinc/75/62/84/1069756284.db2.gz KCINEKVVCBXTCN-UHFFFAOYSA-N 0 0 488.573 0.060 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256583 1069756234 /nfs/dbraw/zinc/75/62/34/1069756234.db2.gz NGGOMDQREOWFJO-UHFFFAOYSA-N 0 0 498.586 0.172 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256637 1069756374 /nfs/dbraw/zinc/75/63/74/1069756374.db2.gz PGWNRCBNWNARDL-UHFFFAOYSA-N 0 0 486.600 0.449 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 ZINC000523256646 1069756139 /nfs/dbraw/zinc/75/61/39/1069756139.db2.gz PMKLJEXVRKSPPI-UHFFFAOYSA-N 0 0 496.614 0.942 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256662 1069756308 /nfs/dbraw/zinc/75/63/08/1069756308.db2.gz PYJAIMOIPILYAF-UHFFFAOYSA-N 0 0 476.514 0.756 20 30 JCEDRN N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256664 1069756196 /nfs/dbraw/zinc/75/61/96/1069756196.db2.gz PZWVTKBLUPNYMZ-UHFFFAOYSA-N 0 0 468.498 0.930 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256665 1069756184 /nfs/dbraw/zinc/75/61/84/1069756184.db2.gz PZYUYWBNLNKGJX-UHFFFAOYSA-N 0 0 496.614 0.943 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256678 1069756359 /nfs/dbraw/zinc/75/63/59/1069756359.db2.gz QMBBKIITDNUMRZ-UHFFFAOYSA-N 0 0 472.548 0.228 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256725 1069756101 /nfs/dbraw/zinc/75/61/01/1069756101.db2.gz RZWXCGJOOMGPDJ-UHFFFAOYSA-N 0 0 494.598 0.719 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256775 1069756153 /nfs/dbraw/zinc/75/61/53/1069756153.db2.gz VDYGAFJNQVSGIC-UHFFFAOYSA-N 0 0 490.541 0.798 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256802 1069756123 /nfs/dbraw/zinc/75/61/23/1069756123.db2.gz WOOAYJNMMDFLAZ-AWEZNQCLSA-N 0 0 485.591 0.457 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256803 1069756390 /nfs/dbraw/zinc/75/63/90/1069756390.db2.gz WOOAYJNMMDFLAZ-CQSZACIVSA-N 0 0 485.591 0.457 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256848 1069756327 /nfs/dbraw/zinc/75/63/27/1069756327.db2.gz XTOXGEKSJHLKSS-UHFFFAOYSA-N 0 0 452.492 0.247 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000523256879 1069756249 /nfs/dbraw/zinc/75/62/49/1069756249.db2.gz YRDBATONXOPIFY-UHFFFAOYSA-N 0 0 489.557 0.984 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523256959 1069756211 /nfs/dbraw/zinc/75/62/11/1069756211.db2.gz BZHKYBQYAXLPLS-UHFFFAOYSA-N 0 0 497.602 0.276 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523257009 1069755796 /nfs/dbraw/zinc/75/57/96/1069755796.db2.gz DXXCACPKXVKHSO-UHFFFAOYSA-N 0 0 480.521 0.793 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523257029 1069755791 /nfs/dbraw/zinc/75/57/91/1069755791.db2.gz FZCWIJXFRRJWSS-UHFFFAOYSA-N 0 0 466.494 0.403 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523257069 1069755725 /nfs/dbraw/zinc/75/57/25/1069755725.db2.gz HEFXPVXOPXQLOE-UHFFFAOYSA-N 0 0 468.560 0.729 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523257116 1069756167 /nfs/dbraw/zinc/75/61/67/1069756167.db2.gz IMPPURDZWCTJBN-UHFFFAOYSA-N 0 0 483.575 0.028 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523257164 1069755740 /nfs/dbraw/zinc/75/57/40/1069755740.db2.gz KCNJPOPVZMLWTI-UHFFFAOYSA-N 0 0 470.457 0.848 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523257182 1069755732 /nfs/dbraw/zinc/75/57/32/1069755732.db2.gz KQRZUALPIXDXMJ-UHFFFAOYSA-N 0 0 495.586 0.126 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000523257194 1069755743 /nfs/dbraw/zinc/75/57/43/1069755743.db2.gz LAPXRXTUGICMIE-UHFFFAOYSA-N 0 0 486.600 0.449 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523257210 1069755760 /nfs/dbraw/zinc/75/57/60/1069755760.db2.gz LTSGJJVQWLJBSM-UHFFFAOYSA-N 0 0 478.530 0.272 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000523257281 1069756816 /nfs/dbraw/zinc/75/68/16/1069756816.db2.gz PICVZDJZPKMECM-UHFFFAOYSA-N 0 0 460.515 0.788 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523257964 1069756844 /nfs/dbraw/zinc/75/68/44/1069756844.db2.gz RGSXOVCANYXSFK-UHFFFAOYSA-N 0 0 462.531 0.872 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523257975 1069756945 /nfs/dbraw/zinc/75/69/45/1069756945.db2.gz RLJDJFWSYRKHRN-UHFFFAOYSA-N 0 0 476.558 0.880 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cc(OC)ccc1OC ZINC000523258014 1069757136 /nfs/dbraw/zinc/75/71/36/1069757136.db2.gz SQSUAIKNFOTAAZ-UHFFFAOYSA-N 0 0 480.546 0.967 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000523258022 1069757036 /nfs/dbraw/zinc/75/70/36/1069757036.db2.gz TULVRMFBFZXXSF-UHFFFAOYSA-N 0 0 450.911 0.963 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 ZINC000523258071 1069756871 /nfs/dbraw/zinc/75/68/71/1069756871.db2.gz VROUORBQPJYGES-UHFFFAOYSA-N 0 0 495.586 0.379 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523258216 1069756975 /nfs/dbraw/zinc/75/69/75/1069756975.db2.gz BKMUKILYQHLCBY-UHFFFAOYSA-N 0 0 460.515 0.812 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)oc1C ZINC000523258223 1069756884 /nfs/dbraw/zinc/75/68/84/1069756884.db2.gz BSZBHQHGHSJEKW-UHFFFAOYSA-N 0 0 494.529 0.714 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523258328 1069757100 /nfs/dbraw/zinc/75/71/00/1069757100.db2.gz GHWPNAJZDAFMON-UHFFFAOYSA-N 0 0 453.549 0.792 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523258329 1069756894 /nfs/dbraw/zinc/75/68/94/1069756894.db2.gz GIBTVPFFYJMPAR-UHFFFAOYSA-N 0 0 482.905 0.629 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccc(C(F)(F)F)c1 ZINC000523258406 1069757049 /nfs/dbraw/zinc/75/70/49/1069757049.db2.gz JJYXQZDQTUXUOH-UHFFFAOYSA-N 0 0 491.495 0.976 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)CC1 ZINC000523288597 1069760473 /nfs/dbraw/zinc/76/04/73/1069760473.db2.gz BGQZBUKRTAGYSO-UHFFFAOYSA-N 0 0 473.555 0.980 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)N2CCOCC2)cc1F ZINC000523298319 1069761976 /nfs/dbraw/zinc/76/19/76/1069761976.db2.gz BXKXNWMVDQHPPB-UHFFFAOYSA-N 0 0 472.523 0.865 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1F ZINC000523298554 1069761956 /nfs/dbraw/zinc/76/19/56/1069761956.db2.gz QBJYOWFVOILJNY-UHFFFAOYSA-N 0 0 498.536 0.591 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)N2CCOCC2)cc1F ZINC000523299340 1069762202 /nfs/dbraw/zinc/76/22/02/1069762202.db2.gz LVJQWFSRKISHLO-UHFFFAOYSA-N 0 0 466.494 0.804 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000523299445 1069762085 /nfs/dbraw/zinc/76/20/85/1069762085.db2.gz OURNZZMULBVUDT-UHFFFAOYSA-N 0 0 471.514 0.436 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000523299449 1069762130 /nfs/dbraw/zinc/76/21/30/1069762130.db2.gz OYZNHYGYSXYQIB-UHFFFAOYSA-N 0 0 454.483 0.707 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000523299469 1069762556 /nfs/dbraw/zinc/76/25/56/1069762556.db2.gz QDSSWBGXQJLSTJ-UHFFFAOYSA-N 0 0 485.541 0.826 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCCC2)cc1F ZINC000523299602 1069762102 /nfs/dbraw/zinc/76/21/02/1069762102.db2.gz WEVASUJAQUKUOX-UHFFFAOYSA-N 0 0 453.499 0.906 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000523299673 1069762018 /nfs/dbraw/zinc/76/20/18/1069762018.db2.gz YUTFPTZTWYZLIW-UHFFFAOYSA-N 0 0 457.487 0.046 20 30 JCEDRN C=CCc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc(OC)c1OC ZINC000523308935 1069764458 /nfs/dbraw/zinc/76/44/58/1069764458.db2.gz CTYPPZJFYHVIBU-UHFFFAOYSA-N 0 0 481.619 0.752 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OCC)sc1=C(C#N)C(=O)NC ZINC000523322240 1069766615 /nfs/dbraw/zinc/76/66/15/1069766615.db2.gz NOTCNLIMEMSVRB-UHFFFAOYSA-N 0 0 460.512 0.892 20 30 JCEDRN Cn1c(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000523326611 1069766827 /nfs/dbraw/zinc/76/68/27/1069766827.db2.gz DBGKHLRCBTZPHV-UHFFFAOYSA-N 0 0 457.494 0.958 20 30 JCEDRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(CCC#N)CCN2CCOCC2)CC1 ZINC000523347752 1069769194 /nfs/dbraw/zinc/76/91/94/1069769194.db2.gz WFXYHNHZBINIKX-UHFFFAOYSA-N 0 0 452.581 0.502 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000523352109 1069768383 /nfs/dbraw/zinc/76/83/83/1069768383.db2.gz IEYHBTGASUMSKK-UHFFFAOYSA-N 0 0 496.593 0.923 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1=O ZINC000523378468 1069770625 /nfs/dbraw/zinc/77/06/25/1069770625.db2.gz RMOVMKMTSZATOJ-UHFFFAOYSA-N 0 0 482.497 0.545 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1=O ZINC000523379235 1069770808 /nfs/dbraw/zinc/77/08/08/1069770808.db2.gz MDBFOAUTFMXABA-UHFFFAOYSA-N 0 0 496.524 0.935 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2csc(C(C)(C)C)n2)sc1=C(C#N)C(=O)NCCOC ZINC000523461997 1069772809 /nfs/dbraw/zinc/77/28/09/1069772809.db2.gz HJYACHJQDITAIQ-UHFFFAOYSA-N 0 0 464.613 0.966 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000523463106 1069773053 /nfs/dbraw/zinc/77/30/53/1069773053.db2.gz LYLRSYRSRQXVQO-UHFFFAOYSA-N 0 0 453.524 0.830 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000523463929 1069773076 /nfs/dbraw/zinc/77/30/76/1069773076.db2.gz AAHVOSFSVUPGQD-UHFFFAOYSA-N 0 0 479.942 0.594 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)c(OC)c(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523464604 1069773620 /nfs/dbraw/zinc/77/36/20/1069773620.db2.gz HNQYLFOWNKVZNB-UHFFFAOYSA-N 0 0 471.579 0.934 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC(C)C ZINC000523464615 1069772985 /nfs/dbraw/zinc/77/29/85/1069772985.db2.gz MFLOQDGJATUSGS-UHFFFAOYSA-N 0 0 463.581 0.377 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOCC ZINC000523464628 1069773838 /nfs/dbraw/zinc/77/38/38/1069773838.db2.gz PXEFWXSOUCHSPR-UHFFFAOYSA-N 0 0 463.581 0.379 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2csc(CC)n2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523464654 1069773748 /nfs/dbraw/zinc/77/37/48/1069773748.db2.gz XZFHVQMYBATVEO-UHFFFAOYSA-N 0 0 475.640 0.632 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCOC ZINC000523465410 1069772970 /nfs/dbraw/zinc/77/29/70/1069772970.db2.gz QIDOHZPTGMKEPH-UHFFFAOYSA-N 0 0 452.514 0.182 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523465416 1069772692 /nfs/dbraw/zinc/77/26/92/1069772692.db2.gz SFRFSIBIEMRDIJ-UHFFFAOYSA-N 0 0 491.595 0.583 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523466498 1069773763 /nfs/dbraw/zinc/77/37/63/1069773763.db2.gz FLVKJXXZZFEVRZ-UHFFFAOYSA-N 0 0 485.562 0.469 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000523466515 1069773588 /nfs/dbraw/zinc/77/35/88/1069773588.db2.gz LTMXOLNHXVCLGP-UHFFFAOYSA-N 0 0 492.605 0.532 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NCC(C)C ZINC000523466532 1069773633 /nfs/dbraw/zinc/77/36/33/1069773633.db2.gz NQRUCOPCLLJIIU-UHFFFAOYSA-N 0 0 457.552 0.993 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523466743 1069773806 /nfs/dbraw/zinc/77/38/06/1069773806.db2.gz DOQAIJDQCJVRMC-UHFFFAOYSA-N 0 0 461.613 0.378 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523466793 1069773646 /nfs/dbraw/zinc/77/36/46/1069773646.db2.gz PNUBWQMKTGKHHG-UHFFFAOYSA-N 0 0 491.013 0.551 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523476330 1069773735 /nfs/dbraw/zinc/77/37/35/1069773735.db2.gz ADLDCUVEOMMWKQ-UHFFFAOYSA-N 0 0 470.595 0.206 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NC(C)C ZINC000523476333 1069773833 /nfs/dbraw/zinc/77/38/33/1069773833.db2.gz AOBSZRBMIYITDH-UHFFFAOYSA-N 0 0 473.551 0.754 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000523476335 1069773825 /nfs/dbraw/zinc/77/38/25/1069773825.db2.gz AQKQFZDYFVXMRF-UHFFFAOYSA-N 0 0 470.530 0.694 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000523476369 1069773786 /nfs/dbraw/zinc/77/37/86/1069773786.db2.gz GITQKFQUXHKSPQ-AWEZNQCLSA-N 0 0 460.512 0.509 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000523476370 1069773712 /nfs/dbraw/zinc/77/37/12/1069773712.db2.gz GITQKFQUXHKSPQ-CQSZACIVSA-N 0 0 460.512 0.509 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523476373 1069773685 /nfs/dbraw/zinc/77/36/85/1069773685.db2.gz GSOZFGVBXJAEON-UHFFFAOYSA-N 0 0 470.595 0.622 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)NCC(C)C ZINC000523476701 1069774257 /nfs/dbraw/zinc/77/42/57/1069774257.db2.gz CANICKHXUZBLJM-UHFFFAOYSA-N 0 0 461.540 0.910 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(CC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523476703 1069774516 /nfs/dbraw/zinc/77/45/16/1069774516.db2.gz CHWMXFXCUYKEFJ-UHFFFAOYSA-N 0 0 484.622 0.460 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)cc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523476728 1069774335 /nfs/dbraw/zinc/77/43/35/1069774335.db2.gz GGPSZQNHCNPANX-UHFFFAOYSA-N 0 0 477.970 0.970 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523476749 1069773662 /nfs/dbraw/zinc/77/36/62/1069773662.db2.gz HMKAPOHOHWCYNV-UHFFFAOYSA-N 0 0 485.566 0.522 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523476766 1069773575 /nfs/dbraw/zinc/77/35/75/1069773575.db2.gz JSFKXFZVSJRGPM-UHFFFAOYSA-N 0 0 479.505 0.910 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523476781 1069773797 /nfs/dbraw/zinc/77/37/97/1069773797.db2.gz LIULDSKZKDGZKM-UHFFFAOYSA-N 0 0 457.552 0.625 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523476788 1069773772 /nfs/dbraw/zinc/77/37/72/1069773772.db2.gz LYJTWAHIANHAKA-UHFFFAOYSA-N 0 0 476.549 0.892 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000523476789 1069773725 /nfs/dbraw/zinc/77/37/25/1069773725.db2.gz MABLOKWGZUEQDM-INIZCTEOSA-N 0 0 459.568 0.918 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000523476790 1069773555 /nfs/dbraw/zinc/77/35/55/1069773555.db2.gz MABLOKWGZUEQDM-MRXNPFEDSA-N 0 0 459.568 0.918 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)NCCOC ZINC000523476806 1069774174 /nfs/dbraw/zinc/77/41/74/1069774174.db2.gz NXBFKDJKXQJZJS-UHFFFAOYSA-N 0 0 480.384 0.974 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523476807 1069774422 /nfs/dbraw/zinc/77/44/22/1069774422.db2.gz NZCVFYMETBFRKR-UHFFFAOYSA-N 0 0 458.559 0.753 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523476808 1069774276 /nfs/dbraw/zinc/77/42/76/1069774276.db2.gz OAHJLZIJWMWLME-UHFFFAOYSA-N 0 0 491.013 0.551 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2sccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523476817 1069774562 /nfs/dbraw/zinc/77/45/62/1069774562.db2.gz ONXCADXMKXWHBM-UHFFFAOYSA-N 0 0 476.624 0.268 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523476828 1069774373 /nfs/dbraw/zinc/77/43/73/1069774373.db2.gz QDNJVBQCEMDIFF-UHFFFAOYSA-N 0 0 471.535 0.095 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCOCC ZINC000523476829 1069774145 /nfs/dbraw/zinc/77/41/45/1069774145.db2.gz QEQTZGXECWFMGR-UHFFFAOYSA-N 0 0 473.551 0.755 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(OCC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523477585 1069775118 /nfs/dbraw/zinc/77/51/18/1069775118.db2.gz FSGNHSPIPPELGK-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)c(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523477626 1069775082 /nfs/dbraw/zinc/77/50/82/1069775082.db2.gz JYNXFAYSBWVCCS-UHFFFAOYSA-N 0 0 498.649 0.823 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523477662 1069775188 /nfs/dbraw/zinc/77/51/88/1069775188.db2.gz NTMVKVCZUVHOCZ-UHFFFAOYSA-N 0 0 470.595 0.622 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523477707 1069775251 /nfs/dbraw/zinc/77/52/51/1069775251.db2.gz SYKFECSCBFIMMN-UHFFFAOYSA-N 0 0 458.559 0.753 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000523477734 1069775229 /nfs/dbraw/zinc/77/52/29/1069775229.db2.gz VQNJYIIWDYOYLR-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523477883 1069774989 /nfs/dbraw/zinc/77/49/89/1069774989.db2.gz DUJZAUPKYSSHNX-UHFFFAOYSA-N 0 0 497.621 0.572 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NC(C)C ZINC000523477909 1069774497 /nfs/dbraw/zinc/77/44/97/1069774497.db2.gz KRMTYFADHRNTBC-UHFFFAOYSA-N 0 0 459.524 0.711 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523477920 1069774352 /nfs/dbraw/zinc/77/43/52/1069774352.db2.gz MKRXYSIYNNEIBB-UHFFFAOYSA-N 0 0 470.595 0.206 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NCC(C)C ZINC000523477944 1069774551 /nfs/dbraw/zinc/77/45/51/1069774551.db2.gz RDHFIBRXBXTPIF-UHFFFAOYSA-N 0 0 473.551 0.959 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)NCCOC ZINC000523477956 1069774537 /nfs/dbraw/zinc/77/45/37/1069774537.db2.gz UHSRFDPJOUCUDJ-UHFFFAOYSA-N 0 0 452.536 0.760 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000523477960 1069774238 /nfs/dbraw/zinc/77/42/38/1069774238.db2.gz UYCMWVNIEZQTHN-UHFFFAOYSA-N 0 0 458.540 0.170 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523478093 1069775010 /nfs/dbraw/zinc/77/50/10/1069775010.db2.gz ZIAAUCHBCOOSMH-UHFFFAOYSA-N 0 0 484.622 0.515 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523478593 1069775207 /nfs/dbraw/zinc/77/52/07/1069775207.db2.gz JZHWVNJGFPVINM-UHFFFAOYSA-N 0 0 498.605 0.385 20 30 JCEDRN CN(CC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000523564989 1069776799 /nfs/dbraw/zinc/77/67/99/1069776799.db2.gz WQKUVDPZQHOQBO-NRFANRHFSA-N 0 0 455.496 0.550 20 30 JCEDRN CN(CC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000523564991 1069776624 /nfs/dbraw/zinc/77/66/24/1069776624.db2.gz WQKUVDPZQHOQBO-OAQYLSRUSA-N 0 0 455.496 0.550 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cs1 ZINC000523572195 1069776539 /nfs/dbraw/zinc/77/65/39/1069776539.db2.gz HEFCPXKVWLJJCJ-UHFFFAOYSA-N 0 0 458.569 0.400 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(-c3cnn(CC)c3)c2=O)cs1 ZINC000523572256 1069776738 /nfs/dbraw/zinc/77/67/38/1069776738.db2.gz JEJNUDGBXSSJCX-UHFFFAOYSA-N 0 0 497.650 0.801 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1ccccn1 ZINC000523572304 1069776769 /nfs/dbraw/zinc/77/67/69/1069776769.db2.gz KAHSKHFFBKTMGO-UHFFFAOYSA-N 0 0 479.518 0.721 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(Cl)c4c(c3)OCCO4)sc2=C(C#N)C(=O)NC)cn1 ZINC000523573151 1069776341 /nfs/dbraw/zinc/77/63/41/1069776341.db2.gz FZGUDAIOAHEGNC-UHFFFAOYSA-N 0 0 471.926 0.789 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523573694 1069777278 /nfs/dbraw/zinc/77/72/78/1069777278.db2.gz YAPZAEUJIGKFEF-UHFFFAOYSA-N 0 0 481.534 0.168 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(OC)c(OC)c(OC)c3)sc2=C(C#N)C(=O)NC)cn1 ZINC000523573936 1069777258 /nfs/dbraw/zinc/77/72/58/1069777258.db2.gz AGMVBKFUZKKHOF-UHFFFAOYSA-N 0 0 469.523 0.390 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCc1ccccn1 ZINC000523574266 1069777465 /nfs/dbraw/zinc/77/74/65/1069777465.db2.gz GYEVJBLIVCFSFG-UHFFFAOYSA-N 0 0 452.511 0.952 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523574307 1069777171 /nfs/dbraw/zinc/77/71/71/1069777171.db2.gz IYPSNUCVMMPHIS-UHFFFAOYSA-N 0 0 468.495 0.289 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523574546 1069777358 /nfs/dbraw/zinc/77/73/58/1069777358.db2.gz RPWBQHCFDKNVBZ-UHFFFAOYSA-N 0 0 479.562 0.794 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523574637 1069777118 /nfs/dbraw/zinc/77/71/18/1069777118.db2.gz XBUFUMTUZGMIIW-UHFFFAOYSA-N 0 0 468.495 0.289 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCc1ccccn1 ZINC000523574811 1069777432 /nfs/dbraw/zinc/77/74/32/1069777432.db2.gz DJBMCORASPUGPZ-UHFFFAOYSA-N 0 0 455.565 0.660 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCc1ccccn1 ZINC000523575266 1069777238 /nfs/dbraw/zinc/77/72/38/1069777238.db2.gz OLZLAGIGSLKIKY-UHFFFAOYSA-N 0 0 495.630 0.560 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000523575285 1069777295 /nfs/dbraw/zinc/77/72/95/1069777295.db2.gz OXGZWMHTLCIWRP-UHFFFAOYSA-N 0 0 478.578 0.067 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3sccc3C)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000523575723 1069778154 /nfs/dbraw/zinc/77/81/54/1069778154.db2.gz AYXQOXDGYBMDEC-UHFFFAOYSA-N 0 0 498.634 0.437 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccsc3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000523575755 1069778055 /nfs/dbraw/zinc/77/80/55/1069778055.db2.gz CRXUHCKECRMGOI-UHFFFAOYSA-N 0 0 468.608 0.844 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCc1ccccn1 ZINC000523575851 1069777994 /nfs/dbraw/zinc/77/79/94/1069777994.db2.gz JEHZCBARONHXIQ-UHFFFAOYSA-N 0 0 494.573 0.830 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 ZINC000523576824 1069777788 /nfs/dbraw/zinc/77/77/88/1069777788.db2.gz GLCOGMYJFBNMIR-UHFFFAOYSA-N 0 0 479.518 0.721 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc4c(c(OC)c3)OCO4)sc2=C(C#N)C(=O)N2CCCC2)cn1 ZINC000523576858 1069777810 /nfs/dbraw/zinc/77/78/10/1069777810.db2.gz HRACYGZUSKLURH-UHFFFAOYSA-N 0 0 493.545 0.978 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3OC)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523576939 1069778098 /nfs/dbraw/zinc/77/80/98/1069778098.db2.gz LASAGLRXDUSPLN-UHFFFAOYSA-N 0 0 467.551 0.780 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523576977 1069777978 /nfs/dbraw/zinc/77/79/78/1069777978.db2.gz MUOUDCLKCDVFAS-UHFFFAOYSA-N 0 0 467.551 0.780 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cnn(CC)c3)c2=O)c1 ZINC000523576995 1069778036 /nfs/dbraw/zinc/77/80/36/1069778036.db2.gz NSBWCMTYLNTWTG-UHFFFAOYSA-N 0 0 479.562 0.876 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 ZINC000523577110 1069778183 /nfs/dbraw/zinc/77/81/83/1069778183.db2.gz RXJOWQKFUDFJBR-UHFFFAOYSA-N 0 0 491.529 0.818 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3OC)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523577111 1069778022 /nfs/dbraw/zinc/77/80/22/1069778022.db2.gz RZARALPGCZSWCU-UHFFFAOYSA-N 0 0 465.535 0.486 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523577144 1069778141 /nfs/dbraw/zinc/77/81/41/1069778141.db2.gz SJOPJEFUTSFUCR-UHFFFAOYSA-N 0 0 481.534 0.882 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3OC)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523577322 1069777893 /nfs/dbraw/zinc/77/78/93/1069777893.db2.gz WLURMEYJSGTSRR-UHFFFAOYSA-N 0 0 453.524 0.390 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(CCc2ccccn2)c1=O ZINC000523577405 1069778166 /nfs/dbraw/zinc/77/81/66/1069778166.db2.gz YOWNUVBEGXGJCD-UHFFFAOYSA-N 0 0 457.519 0.818 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(F)c3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523577740 1069778795 /nfs/dbraw/zinc/77/87/95/1069778795.db2.gz DTLKRSMYLZYIJL-UHFFFAOYSA-N 0 0 485.541 0.919 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)CCO4)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523577804 1069778588 /nfs/dbraw/zinc/77/85/88/1069778588.db2.gz HNXMQPDRFBLILW-UHFFFAOYSA-N 0 0 479.562 0.706 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(CCc2ccccn2)c1=O ZINC000523577994 1069777941 /nfs/dbraw/zinc/77/79/41/1069777941.db2.gz PFLDNTRQTBNLBD-UHFFFAOYSA-N 0 0 460.519 0.693 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)cs1 ZINC000523578018 1069778676 /nfs/dbraw/zinc/77/86/76/1069778676.db2.gz QLKJHCGBLWLPCF-UHFFFAOYSA-N 0 0 467.576 0.674 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCc1ccccn1 ZINC000523578068 1069777917 /nfs/dbraw/zinc/77/79/17/1069777917.db2.gz SZAJSNLXGFFUFJ-UHFFFAOYSA-N 0 0 480.546 0.822 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCc1ccccn1 ZINC000523578775 1069778562 /nfs/dbraw/zinc/77/85/62/1069778562.db2.gz DGCPXMBUMYNMPC-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1ccccn1 ZINC000523578810 1069778529 /nfs/dbraw/zinc/77/85/29/1069778529.db2.gz GISSSMDKTCFHMD-UHFFFAOYSA-N 0 0 488.569 0.844 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cnn(CC)c1 ZINC000523578827 1069778766 /nfs/dbraw/zinc/77/87/66/1069778766.db2.gz HBQAYQPGNFESOW-UHFFFAOYSA-N 0 0 465.535 0.931 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCc1ccccn1 ZINC000523578882 1069778545 /nfs/dbraw/zinc/77/85/45/1069778545.db2.gz KHMQDOREHRGFQR-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCc3ccccn3)c2=O)o1 ZINC000523578919 1069778627 /nfs/dbraw/zinc/77/86/27/1069778627.db2.gz MMTCRKJOHJHXLI-UHFFFAOYSA-N 0 0 493.589 0.400 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3F)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523578980 1069778701 /nfs/dbraw/zinc/77/87/01/1069778701.db2.gz OSBACQQNWJYORZ-UHFFFAOYSA-N 0 0 455.515 0.910 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523579179 1069778661 /nfs/dbraw/zinc/77/86/61/1069778661.db2.gz UYDLQPUUSDWBPL-UHFFFAOYSA-N 0 0 493.545 0.264 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1cnn(CC)c1 ZINC000523579305 1069778716 /nfs/dbraw/zinc/77/87/16/1069778716.db2.gz WJNRWTYTNIXOLL-UHFFFAOYSA-N 0 0 492.540 0.864 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3F)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523579357 1069778731 /nfs/dbraw/zinc/77/87/31/1069778731.db2.gz XYADFZOPIOGRRP-UHFFFAOYSA-N 0 0 453.499 0.616 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1ccccn1 ZINC000523579397 1069778569 /nfs/dbraw/zinc/77/85/69/1069778569.db2.gz ZBHYJKXQNMPEJB-UHFFFAOYSA-N 0 0 476.558 0.748 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3OC)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523579662 1069779425 /nfs/dbraw/zinc/77/94/25/1069779425.db2.gz ACSSIOASGQOVKW-UHFFFAOYSA-N 0 0 465.535 0.914 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3OC(F)F)sc2=C(C#N)C(=O)NC)cn1 ZINC000523579735 1069779302 /nfs/dbraw/zinc/77/93/02/1069779302.db2.gz DLGMOKFKCRHEBC-UHFFFAOYSA-N 0 0 490.448 0.874 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCCO4)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000523579749 1069779413 /nfs/dbraw/zinc/77/94/13/1069779413.db2.gz DXSIEIOGWIWUMT-UHFFFAOYSA-N 0 0 465.535 0.914 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523579750 1069779491 /nfs/dbraw/zinc/77/94/91/1069779491.db2.gz FBHKYMXKYFSKLZ-UHFFFAOYSA-N 0 0 495.561 0.924 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523579764 1069779439 /nfs/dbraw/zinc/77/94/39/1069779439.db2.gz GBHJSIWJGCULKS-UHFFFAOYSA-N 0 0 463.519 0.668 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523579765 1069779403 /nfs/dbraw/zinc/77/94/03/1069779403.db2.gz GBTNQQPRIBQQLI-UHFFFAOYSA-N 0 0 481.534 0.152 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3OC)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523579770 1069779325 /nfs/dbraw/zinc/77/93/25/1069779325.db2.gz GDTBSXAKRLAROZ-UHFFFAOYSA-N 0 0 483.550 0.398 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCc1ccccn1 ZINC000523579786 1069779392 /nfs/dbraw/zinc/77/93/92/1069779392.db2.gz GZRPJFGUCHRYDX-UHFFFAOYSA-N 0 0 452.511 0.952 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1ccccn1 ZINC000523579822 1069778778 /nfs/dbraw/zinc/77/87/78/1069778778.db2.gz IFMHGCCBYYOWJA-UHFFFAOYSA-N 0 0 496.614 0.980 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C)o3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000523579838 1069778740 /nfs/dbraw/zinc/77/87/40/1069778740.db2.gz IREJECZDUCIJJL-UHFFFAOYSA-N 0 0 466.567 0.684 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccs3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000523579840 1069778613 /nfs/dbraw/zinc/77/86/13/1069778613.db2.gz IUVMVXWJWODVGY-UHFFFAOYSA-N 0 0 468.608 0.844 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2cnn(CC)c2)c1=O ZINC000523579922 1069778811 /nfs/dbraw/zinc/77/88/11/1069778811.db2.gz MRXKJGUJOHYNKB-UHFFFAOYSA-N 0 0 479.562 0.876 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000523579944 1069778599 /nfs/dbraw/zinc/77/85/99/1069778599.db2.gz NWRPXGZOMNLZKW-UHFFFAOYSA-N 0 0 496.568 0.206 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3OC(F)F)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523580050 1069778689 /nfs/dbraw/zinc/77/86/89/1069778689.db2.gz PTUJHYJXNOBKNS-UHFFFAOYSA-N 0 0 489.504 0.982 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2CCc2ccccn2)CC1 ZINC000523580289 1069778635 /nfs/dbraw/zinc/77/86/35/1069778635.db2.gz VJPDSKDXVRQVTC-UHFFFAOYSA-N 0 0 474.590 0.610 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3csc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523580793 1069779906 /nfs/dbraw/zinc/77/99/06/1069779906.db2.gz HRFQPXJLVPHAHS-UHFFFAOYSA-N 0 0 488.551 0.741 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(S(C)(=O)=O)cc3)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000523580808 1069780102 /nfs/dbraw/zinc/78/01/02/1069780102.db2.gz IFZKMVLBDXLEMX-UHFFFAOYSA-N 0 0 485.591 0.547 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C(=O)OC)c(C)o3)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000523580814 1069779917 /nfs/dbraw/zinc/77/99/17/1069779917.db2.gz IJIOHHPKEOOWMR-UHFFFAOYSA-N 0 0 469.523 0.831 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C(=O)OC)c(C)o3)sc2=C(C#N)C(=O)N2CCCC2)cn1 ZINC000523580815 1069780118 /nfs/dbraw/zinc/78/01/18/1069780118.db2.gz IJWHYZIMYWKPEA-UHFFFAOYSA-N 0 0 481.534 0.929 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(S(C)(=O)=O)cc3)sc2=C(C#N)C(=O)NCC(C)C)cn1 ZINC000523580863 1069779291 /nfs/dbraw/zinc/77/92/91/1069779291.db2.gz KMSCSUFBONRMTF-UHFFFAOYSA-N 0 0 499.618 0.794 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1cnn(CC)c1 ZINC000523580998 1069779349 /nfs/dbraw/zinc/77/93/49/1069779349.db2.gz MVWCZSCUYFTKJV-UHFFFAOYSA-N 0 0 467.507 0.609 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCCCO4)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523581014 1069779313 /nfs/dbraw/zinc/77/93/13/1069779313.db2.gz NODCKPGOTSSREA-UHFFFAOYSA-N 0 0 495.561 0.542 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3csc(C)n3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000523581173 1069779361 /nfs/dbraw/zinc/77/93/61/1069779361.db2.gz QHIQVGLNVYBYJD-UHFFFAOYSA-N 0 0 483.623 0.548 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523581178 1069779534 /nfs/dbraw/zinc/77/95/34/1069779534.db2.gz QKUWTKPPBCGBSJ-HNNXBMFYSA-N 0 0 467.551 0.778 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523581180 1069779506 /nfs/dbraw/zinc/77/95/06/1069779506.db2.gz QKUWTKPPBCGBSJ-OAHLLOKOSA-N 0 0 467.551 0.778 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OCCOC)c3)sc2=C(C#N)C(=O)NC)cn1 ZINC000523581332 1069779462 /nfs/dbraw/zinc/77/94/62/1069779462.db2.gz SYIWIHSNDGBDLI-UHFFFAOYSA-N 0 0 453.524 0.390 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523581397 1069779479 /nfs/dbraw/zinc/77/94/79/1069779479.db2.gz UUNFLLWZXUYWCF-UHFFFAOYSA-N 0 0 481.534 0.500 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(F)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523581401 1069779338 /nfs/dbraw/zinc/77/93/38/1069779338.db2.gz VDZMQRCDTDAMOO-UHFFFAOYSA-N 0 0 453.499 0.616 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3OC)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523581412 1069779276 /nfs/dbraw/zinc/77/92/76/1069779276.db2.gz VOPKQSYGLJZCEN-UHFFFAOYSA-N 0 0 497.577 0.788 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccn1 ZINC000523581438 1069779448 /nfs/dbraw/zinc/77/94/48/1069779448.db2.gz WRDDSLWTHHARQZ-UHFFFAOYSA-N 0 0 489.601 0.499 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523581477 1069779518 /nfs/dbraw/zinc/77/95/18/1069779518.db2.gz XLSHLWKORLQSHL-UHFFFAOYSA-N 0 0 495.561 0.890 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)CC2)cc1 ZINC000523722922 1069788803 /nfs/dbraw/zinc/78/88/03/1069788803.db2.gz UYECTBQALZOBQQ-UHFFFAOYSA-N 0 0 482.566 0.802 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(OCCOC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523732842 1069789714 /nfs/dbraw/zinc/78/97/14/1069789714.db2.gz HXDZMANVYBZWFL-UHFFFAOYSA-N 0 0 487.578 0.333 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)c1ccc2c(c1)OCO2 ZINC000523732857 1069789729 /nfs/dbraw/zinc/78/97/29/1069789729.db2.gz NKPXVZBJXWCEBV-UHFFFAOYSA-N 0 0 452.492 0.794 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523733201 1069789630 /nfs/dbraw/zinc/78/96/30/1069789630.db2.gz CFQYZNOPSVIFOG-UHFFFAOYSA-N 0 0 488.585 0.345 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000523733224 1069789695 /nfs/dbraw/zinc/78/96/95/1069789695.db2.gz IXYIOQCGJIFWFV-AWEZNQCLSA-N 0 0 463.531 0.748 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000523733225 1069789465 /nfs/dbraw/zinc/78/94/65/1069789465.db2.gz IXYIOQCGJIFWFV-CQSZACIVSA-N 0 0 463.531 0.748 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523733431 1069789739 /nfs/dbraw/zinc/78/97/39/1069789739.db2.gz IPCKOIHBJHJBGQ-UHFFFAOYSA-N 0 0 491.953 0.690 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000523733442 1069789690 /nfs/dbraw/zinc/78/96/90/1069789690.db2.gz LVEDKPZRYLDNLP-CYBMUJFWSA-N 0 0 493.969 0.983 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000523733443 1069789555 /nfs/dbraw/zinc/78/95/55/1069789555.db2.gz LVEDKPZRYLDNLP-ZDUSSCGKSA-N 0 0 493.969 0.983 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OCc3noc(C)n3)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000523733449 1069789674 /nfs/dbraw/zinc/78/96/74/1069789674.db2.gz NWKOXAFIWRICFI-UHFFFAOYSA-N 0 0 495.561 0.998 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000523733992 1069789425 /nfs/dbraw/zinc/78/94/25/1069789425.db2.gz HMEQNNHYHBJAQT-UHFFFAOYSA-N 0 0 457.552 0.537 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523734002 1069789603 /nfs/dbraw/zinc/78/96/03/1069789603.db2.gz KJFDEWRULVKGCM-UHFFFAOYSA-N 0 0 484.578 0.342 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523734003 1069789648 /nfs/dbraw/zinc/78/96/48/1069789648.db2.gz KMCCWRZVLTXJPA-UHFFFAOYSA-N 0 0 482.606 0.548 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)Nc1ccccn1 ZINC000523734017 1069789485 /nfs/dbraw/zinc/78/94/85/1069789485.db2.gz NGRRMIJKDMLKJI-UHFFFAOYSA-N 0 0 498.586 0.887 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000523734019 1069789704 /nfs/dbraw/zinc/78/97/04/1069789704.db2.gz NYYRHTLZTYEQCU-HNNXBMFYSA-N 0 0 457.552 0.535 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000523734020 1069789569 /nfs/dbraw/zinc/78/95/69/1069789569.db2.gz NYYRHTLZTYEQCU-OAHLLOKOSA-N 0 0 457.552 0.535 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000523734035 1069789451 /nfs/dbraw/zinc/78/94/51/1069789451.db2.gz SRBHDAJEGSDUHE-UHFFFAOYSA-N 0 0 461.565 0.131 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000523734041 1069789500 /nfs/dbraw/zinc/78/95/00/1069789500.db2.gz VEUCOOCGXAFVMB-UHFFFAOYSA-N 0 0 489.619 0.912 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523735620 1069789949 /nfs/dbraw/zinc/78/99/49/1069789949.db2.gz FDSJDHHGTDQTHU-UHFFFAOYSA-N 0 0 498.605 0.385 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523735636 1069790312 /nfs/dbraw/zinc/79/03/12/1069790312.db2.gz LUEZDTCSWOQPGR-UHFFFAOYSA-N 0 0 458.496 0.216 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(OC)c2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523742987 1069790120 /nfs/dbraw/zinc/79/01/20/1069790120.db2.gz OXSROTILTDVKBN-UHFFFAOYSA-N 0 0 473.551 0.325 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523742992 1069789991 /nfs/dbraw/zinc/78/99/91/1069789991.db2.gz QMEUFUGVNNKDHN-UHFFFAOYSA-N 0 0 458.496 0.216 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000523743201 1069790327 /nfs/dbraw/zinc/79/03/27/1069790327.db2.gz BZQZCDBUJNMFAB-CYBMUJFWSA-N 0 0 451.495 0.879 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000523743206 1069790244 /nfs/dbraw/zinc/79/02/44/1069790244.db2.gz BZQZCDBUJNMFAB-ZDUSSCGKSA-N 0 0 451.495 0.879 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OCC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523743239 1069790138 /nfs/dbraw/zinc/79/01/38/1069790138.db2.gz DOFPJCRBABWLKJ-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCC(C)C ZINC000523743291 1069790048 /nfs/dbraw/zinc/79/00/48/1069790048.db2.gz OJXHLDPMZHWQQG-UHFFFAOYSA-N 0 0 484.557 0.941 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000523743430 1069790363 /nfs/dbraw/zinc/79/03/63/1069790363.db2.gz XMAQRMHMONUDTJ-UHFFFAOYSA-N 0 0 485.562 0.852 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000523743433 1069790257 /nfs/dbraw/zinc/79/02/57/1069790257.db2.gz XVSBNFYPMDNJFH-UHFFFAOYSA-N 0 0 482.541 0.792 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)NCCOC ZINC000523743661 1069790298 /nfs/dbraw/zinc/79/02/98/1069790298.db2.gz AGRYHXJHODRELX-UHFFFAOYSA-N 0 0 480.384 0.974 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000523743715 1069790169 /nfs/dbraw/zinc/79/01/69/1069790169.db2.gz GNSRLKLOOMLZHV-CYBMUJFWSA-N 0 0 451.495 0.879 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000523743716 1069790375 /nfs/dbraw/zinc/79/03/75/1069790375.db2.gz GNSRLKLOOMLZHV-ZDUSSCGKSA-N 0 0 451.495 0.879 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)NC(C)C ZINC000523743774 1069790194 /nfs/dbraw/zinc/79/01/94/1069790194.db2.gz LIAQJUHUCWPHRB-UHFFFAOYSA-N 0 0 475.567 1.000 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000523743803 1069791162 /nfs/dbraw/zinc/79/11/62/1069791162.db2.gz ORDRWXJSIPHAHP-AWEZNQCLSA-N 0 0 460.512 0.509 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000523743804 1069790890 /nfs/dbraw/zinc/79/08/90/1069790890.db2.gz ORDRWXJSIPHAHP-CQSZACIVSA-N 0 0 460.512 0.509 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000523743821 1069791055 /nfs/dbraw/zinc/79/10/55/1069791055.db2.gz QALVDDYGAYKUBF-UHFFFAOYSA-N 0 0 455.536 0.858 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523744008 1069790272 /nfs/dbraw/zinc/79/02/72/1069790272.db2.gz ZCCDTSRNRLBUQU-UHFFFAOYSA-N 0 0 470.595 0.622 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000523744432 1069790155 /nfs/dbraw/zinc/79/01/55/1069790155.db2.gz MDMAVDHSYCSUSL-UHFFFAOYSA-N 0 0 473.551 0.754 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(C)s2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523744521 1069790070 /nfs/dbraw/zinc/79/00/70/1069790070.db2.gz XJPDESFYMZDABO-UHFFFAOYSA-N 0 0 460.625 0.983 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523744536 1069790344 /nfs/dbraw/zinc/79/03/44/1069790344.db2.gz ZPLKNDOBAAGDOA-UHFFFAOYSA-N 0 0 479.505 0.910 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2c(F)cccc2F)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523745070 1069790785 /nfs/dbraw/zinc/79/07/85/1069790785.db2.gz GCUAFMYVSFJNLE-UHFFFAOYSA-N 0 0 476.549 0.892 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000523745080 1069791028 /nfs/dbraw/zinc/79/10/28/1069791028.db2.gz HXONNOLXYQHKQI-UHFFFAOYSA-N 0 0 487.534 0.045 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1CCOCC ZINC000523745103 1069790871 /nfs/dbraw/zinc/79/08/71/1069790871.db2.gz LXBMWQRSHRHVOH-UHFFFAOYSA-N 0 0 459.524 0.713 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000523745110 1069791087 /nfs/dbraw/zinc/79/10/87/1069791087.db2.gz MQXQJGKAZMKDRN-UHFFFAOYSA-N 0 0 473.551 0.373 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2c(F)cccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523745120 1069790975 /nfs/dbraw/zinc/79/09/75/1069790975.db2.gz OZGZEIBPCBHTKL-UHFFFAOYSA-N 0 0 492.548 0.176 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000523745126 1069790903 /nfs/dbraw/zinc/79/09/03/1069790903.db2.gz RDTZUCLDMOYJDL-UHFFFAOYSA-N 0 0 455.536 0.843 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1CCOCC ZINC000523745131 1069791175 /nfs/dbraw/zinc/79/11/75/1069791175.db2.gz ROTQJZMEHZXSHT-UHFFFAOYSA-N 0 0 457.508 0.489 20 30 JCEDRN C[C@@]1(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)NC(=O)NC1=O ZINC000523835932 1069792987 /nfs/dbraw/zinc/79/29/87/1069792987.db2.gz ARUMCPMSAOWDBJ-NRFANRHFSA-N 0 0 455.496 0.863 20 30 JCEDRN C[C@]1(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)NC(=O)NC1=O ZINC000523835933 1069793318 /nfs/dbraw/zinc/79/33/18/1069793318.db2.gz ARUMCPMSAOWDBJ-OAQYLSRUSA-N 0 0 455.496 0.863 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cnn(CC)c3)c2=O)cs1 ZINC000523855529 1069793018 /nfs/dbraw/zinc/79/30/18/1069793018.db2.gz NYDLGTQIIOLNKB-UHFFFAOYSA-N 0 0 470.580 0.496 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523856386 1069797932 /nfs/dbraw/zinc/79/79/32/1069797932.db2.gz MCANVEPBVIZYBF-UHFFFAOYSA-N 0 0 495.561 0.558 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)cs1 ZINC000523857197 1069797986 /nfs/dbraw/zinc/79/79/86/1069797986.db2.gz HZMACHVQHYVBBY-UHFFFAOYSA-N 0 0 481.603 0.928 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCc1ccccn1 ZINC000523857422 1069798004 /nfs/dbraw/zinc/79/80/04/1069798004.db2.gz MREPSAALDFURSI-UHFFFAOYSA-N 0 0 475.509 0.516 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCc3ccccn3)c2=O)cs1 ZINC000523857672 1069798020 /nfs/dbraw/zinc/79/80/20/1069798020.db2.gz SVDIFKZPPRWNBG-UHFFFAOYSA-N 0 0 469.592 0.832 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(OC)c(OC)c(OC)c3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523857801 1069798195 /nfs/dbraw/zinc/79/81/95/1069798195.db2.gz YHGNMEBFUMVMSR-UHFFFAOYSA-N 0 0 495.561 0.923 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCc2ccccn2)CC1 ZINC000523858123 1069795243 /nfs/dbraw/zinc/79/52/43/1069795243.db2.gz FMOULYAVBJMGFL-UHFFFAOYSA-N 0 0 474.590 0.610 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3OC)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523858248 1069795290 /nfs/dbraw/zinc/79/52/90/1069795290.db2.gz GSFCRYBFAWOTHW-HNNXBMFYSA-N 0 0 467.551 0.778 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3OC)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523858249 1069795409 /nfs/dbraw/zinc/79/54/09/1069795409.db2.gz GSFCRYBFAWOTHW-OAHLLOKOSA-N 0 0 467.551 0.778 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523858265 1069795278 /nfs/dbraw/zinc/79/52/78/1069795278.db2.gz HGXUOSMFFUUPOO-UHFFFAOYSA-N 0 0 453.499 0.616 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523858459 1069795299 /nfs/dbraw/zinc/79/52/99/1069795299.db2.gz LRZWTLPPIFVLQT-UHFFFAOYSA-N 0 0 480.506 0.385 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523858560 1069795586 /nfs/dbraw/zinc/79/55/86/1069795586.db2.gz QWSDNPIISIXDPG-AWEZNQCLSA-N 0 0 482.522 0.678 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523858561 1069795310 /nfs/dbraw/zinc/79/53/10/1069795310.db2.gz QWSDNPIISIXDPG-CQSZACIVSA-N 0 0 482.522 0.678 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1cnn(CC)c1 ZINC000523858672 1069794664 /nfs/dbraw/zinc/79/46/64/1069794664.db2.gz WTQBLJTUEMKYHY-UHFFFAOYSA-N 0 0 450.480 0.829 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 ZINC000523858737 1069794796 /nfs/dbraw/zinc/79/47/96/1069794796.db2.gz ZPKJSDTXLPVBQQ-UHFFFAOYSA-N 0 0 463.563 0.988 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2CCc2ccccn2)CC1 ZINC000523859094 1069795424 /nfs/dbraw/zinc/79/54/24/1069795424.db2.gz CRERNCMNLSGLSG-UHFFFAOYSA-N 0 0 480.619 0.671 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cnn(CC)c1 ZINC000523859388 1069795393 /nfs/dbraw/zinc/79/53/93/1069795393.db2.gz MJPGKAGNGMLVKB-UHFFFAOYSA-N 0 0 452.540 0.556 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccsc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000523859444 1069795474 /nfs/dbraw/zinc/79/54/74/1069795474.db2.gz PCFJNZHMVFWIRI-UHFFFAOYSA-N 0 0 484.607 0.128 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523859490 1069795344 /nfs/dbraw/zinc/79/53/44/1069795344.db2.gz RMCQMAJSCDRNGN-UHFFFAOYSA-N 0 0 463.519 0.692 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc4c(c(OC)c3)OCO4)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523859751 1069795520 /nfs/dbraw/zinc/79/55/20/1069795520.db2.gz DUYRQVZMHGKJEK-UHFFFAOYSA-N 0 0 479.518 0.634 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(OC)c3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523859804 1069795224 /nfs/dbraw/zinc/79/52/24/1069795224.db2.gz HHVPIXHMTNIKCU-UHFFFAOYSA-N 0 0 465.535 0.914 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(OC)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523859845 1069795490 /nfs/dbraw/zinc/79/54/90/1069795490.db2.gz JFANJVLAUBZPHY-UHFFFAOYSA-N 0 0 483.550 0.398 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523859923 1069795504 /nfs/dbraw/zinc/79/55/04/1069795504.db2.gz NUGHZSVFOUQEPE-UHFFFAOYSA-N 0 0 465.535 0.486 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523860159 1069795367 /nfs/dbraw/zinc/79/53/67/1069795367.db2.gz WVUHRRNAKMUTBY-UHFFFAOYSA-N 0 0 479.518 0.658 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)CCO4)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523860950 1069796130 /nfs/dbraw/zinc/79/61/30/1069796130.db2.gz NLJGRUHQXKVUFO-UHFFFAOYSA-N 0 0 477.546 0.412 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C)c(OCC(=O)OC)c(C)c3)sc2=C(C#N)C(=O)NC)cn1 ZINC000523861002 1069796308 /nfs/dbraw/zinc/79/63/08/1069796308.db2.gz QHABGMPGLNEOFE-UHFFFAOYSA-N 0 0 495.561 0.533 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(-c2cnn(CC)c2)c1=O ZINC000523861256 1069796048 /nfs/dbraw/zinc/79/60/48/1069796048.db2.gz XIJZEIHFMOUBEF-UHFFFAOYSA-N 0 0 468.495 0.671 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CCc1ccccn1 ZINC000523861746 1069795461 /nfs/dbraw/zinc/79/54/61/1069795461.db2.gz HTJRXAWATQMHEL-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(-n4cncn4)c(F)c3)sc2=C(C#N)C(=O)NC)cn1 ZINC000523861768 1069795539 /nfs/dbraw/zinc/79/55/39/1069795539.db2.gz INAGFZQRDIGAQV-UHFFFAOYSA-N 0 0 464.486 0.084 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)CCO4)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523861772 1069795962 /nfs/dbraw/zinc/79/59/62/1069795962.db2.gz IPARVOGWJNPVKY-HNNXBMFYSA-N 0 0 479.562 0.704 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)CCO4)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523861773 1069796023 /nfs/dbraw/zinc/79/60/23/1069796023.db2.gz IPARVOGWJNPVKY-OAHLLOKOSA-N 0 0 479.562 0.704 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCc1ccccn1 ZINC000523862132 1069795997 /nfs/dbraw/zinc/79/59/97/1069795997.db2.gz QANHMPWSFZVCDT-UHFFFAOYSA-N 0 0 492.557 0.584 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCc1ccccn1 ZINC000523862190 1069796229 /nfs/dbraw/zinc/79/62/29/1069796229.db2.gz SXTQKKQBYOOGPL-UHFFFAOYSA-N 0 0 469.592 0.968 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3F)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523862371 1069796263 /nfs/dbraw/zinc/79/62/63/1069796263.db2.gz WDGUTPMLPNZUND-UHFFFAOYSA-N 0 0 459.478 0.659 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cc1 ZINC000523862659 1069796072 /nfs/dbraw/zinc/79/60/72/1069796072.db2.gz BFZCFSMGTLKEGR-UHFFFAOYSA-N 0 0 451.552 0.943 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C)cc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000523862662 1069796147 /nfs/dbraw/zinc/79/61/47/1069796147.db2.gz BGYKLUZLTAJBAI-UHFFFAOYSA-N 0 0 492.605 0.375 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OC)c3OC)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523862707 1069796214 /nfs/dbraw/zinc/79/62/14/1069796214.db2.gz DIOXXRJMLVFZHV-UHFFFAOYSA-N 0 0 495.561 0.494 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1-c1cnn(CC)c1 ZINC000523862740 1069796163 /nfs/dbraw/zinc/79/61/63/1069796163.db2.gz FSYQEVKRLFTCPI-UHFFFAOYSA-N 0 0 495.561 0.946 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1ccccn1 ZINC000523862781 1069796247 /nfs/dbraw/zinc/79/62/47/1069796247.db2.gz IFFWHRFTAJTMLK-UHFFFAOYSA-N 0 0 496.614 0.979 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(OC)c4c(c3)OCCO4)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523862798 1069796180 /nfs/dbraw/zinc/79/61/80/1069796180.db2.gz JALCDQMESYMXHR-UHFFFAOYSA-N 0 0 493.545 0.677 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)c(C)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523862955 1069796756 /nfs/dbraw/zinc/79/67/56/1069796756.db2.gz KMEJNFXBXAMJEO-UHFFFAOYSA-N 0 0 467.551 0.698 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3F)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000523863068 1069796578 /nfs/dbraw/zinc/79/65/78/1069796578.db2.gz MMQMPJYERFUSIP-UHFFFAOYSA-N 0 0 496.568 0.206 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(NC(C)=O)cc3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523863099 1069796854 /nfs/dbraw/zinc/79/68/54/1069796854.db2.gz MZXFUTCFIPDNEL-UHFFFAOYSA-N 0 0 462.535 0.855 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1cnn(CC)c1 ZINC000523863108 1069796560 /nfs/dbraw/zinc/79/65/60/1069796560.db2.gz NIQZPGKFVYXVDC-UHFFFAOYSA-N 0 0 450.480 0.829 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC(F)F)c(OC)c3)sc2=C(C#N)C(=O)NC)cn1 ZINC000523863266 1069796675 /nfs/dbraw/zinc/79/66/75/1069796675.db2.gz QDEYXWSFRROYEE-UHFFFAOYSA-N 0 0 475.477 0.974 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3OC)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523863778 1069795941 /nfs/dbraw/zinc/79/59/41/1069795941.db2.gz ARJFZUWYYBFTSN-UHFFFAOYSA-N 0 0 483.550 0.398 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(OCCOC)c3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523863793 1069796196 /nfs/dbraw/zinc/79/61/96/1069796196.db2.gz BIWNULYKPMTOTO-UHFFFAOYSA-N 0 0 479.562 0.922 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(F)c3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523863813 1069796011 /nfs/dbraw/zinc/79/60/11/1069796011.db2.gz CDKVBSUOTBVFOO-UHFFFAOYSA-N 0 0 455.515 0.910 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)c(F)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523863816 1069796602 /nfs/dbraw/zinc/79/66/02/1069796602.db2.gz CGCAYORHEIDUIW-UHFFFAOYSA-N 0 0 471.489 0.755 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523863857 1069796819 /nfs/dbraw/zinc/79/68/19/1069796819.db2.gz DRQBGKKCHFEIHO-UHFFFAOYSA-N 0 0 451.508 0.873 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3OC)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523863860 1069796867 /nfs/dbraw/zinc/79/68/67/1069796867.db2.gz DVONUJJXBUQMQI-UHFFFAOYSA-N 0 0 465.535 0.914 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523864000 1069796772 /nfs/dbraw/zinc/79/67/72/1069796772.db2.gz GVFXSPSRHUOCAW-UHFFFAOYSA-N 0 0 465.535 0.916 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523864049 1069796651 /nfs/dbraw/zinc/79/66/51/1069796651.db2.gz IRHWXWJYRYBHSL-UHFFFAOYSA-N 0 0 482.522 0.679 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523864453 1069796630 /nfs/dbraw/zinc/79/66/30/1069796630.db2.gz STOLCLKRKDMGIF-UHFFFAOYSA-N 0 0 495.561 0.542 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCCO4)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523864465 1069796743 /nfs/dbraw/zinc/79/67/43/1069796743.db2.gz UOANFQQEGUQBBK-UHFFFAOYSA-N 0 0 493.545 0.248 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523864571 1069796835 /nfs/dbraw/zinc/79/68/35/1069796835.db2.gz VAXNCDHSNWQSQK-UHFFFAOYSA-N 0 0 479.518 0.206 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(F)c3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000523864625 1069796724 /nfs/dbraw/zinc/79/67/24/1069796724.db2.gz XNWDJADJVUKCAS-UHFFFAOYSA-N 0 0 480.569 0.922 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1cnn(CC)c1 ZINC000523864639 1069796790 /nfs/dbraw/zinc/79/67/90/1069796790.db2.gz YFLRUHGVZAKYAC-UHFFFAOYSA-N 0 0 465.535 0.916 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC(F)F)cc3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523864762 1069796589 /nfs/dbraw/zinc/79/65/89/1069796589.db2.gz AGEQQEJSTQNXPR-UHFFFAOYSA-N 0 0 489.504 0.982 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3c(F)cccc3F)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523864786 1069796617 /nfs/dbraw/zinc/79/66/17/1069796617.db2.gz CDIJQPVUZPNESE-UHFFFAOYSA-N 0 0 471.489 0.755 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3C)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523864829 1069796688 /nfs/dbraw/zinc/79/66/88/1069796688.db2.gz FDVOTLSYDXEUGA-UHFFFAOYSA-N 0 0 455.515 0.829 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C(=O)OC)c(C)o3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523864888 1069796886 /nfs/dbraw/zinc/79/68/86/1069796886.db2.gz HPAKIPHHBKKOFU-UHFFFAOYSA-N 0 0 497.533 0.165 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)cc1OC ZINC000523864904 1069797663 /nfs/dbraw/zinc/79/76/63/1069797663.db2.gz IEVOEHHPEWCCLD-UHFFFAOYSA-N 0 0 483.550 0.780 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(S(C)(=O)=O)cc3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000523865105 1069797501 /nfs/dbraw/zinc/79/75/01/1069797501.db2.gz OWVHMKLIPMHFLH-UHFFFAOYSA-N 0 0 483.575 0.301 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3C)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523865141 1069797370 /nfs/dbraw/zinc/79/73/70/1069797370.db2.gz QVJKKJCOHGFNFK-UHFFFAOYSA-N 0 0 467.526 0.925 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cnn(CC)c1 ZINC000523865324 1069797297 /nfs/dbraw/zinc/79/72/97/1069797297.db2.gz XHUMPHSPAUOLBF-UHFFFAOYSA-N 0 0 485.591 0.548 20 30 JCEDRN C[C@]1(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)NC(=O)NC1=O ZINC000523930142 1069801595 /nfs/dbraw/zinc/80/15/95/1069801595.db2.gz REMKQQHRLSWIHP-HSZRJFAPSA-N 0 0 496.549 0.829 20 30 JCEDRN C[C@@]1(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)NC(=O)NC1=O ZINC000523930143 1069801428 /nfs/dbraw/zinc/80/14/28/1069801428.db2.gz REMKQQHRLSWIHP-QHCPKHFHSA-N 0 0 496.549 0.829 20 30 JCEDRN C[C@]1(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)NC(=O)NC1=O ZINC000523930298 1069801170 /nfs/dbraw/zinc/80/11/70/1069801170.db2.gz UVNCDAZFWQUETN-HSZRJFAPSA-N 0 0 496.549 0.829 20 30 JCEDRN C[C@@]1(c2ccc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)NC(=O)NC1=O ZINC000523930299 1069801494 /nfs/dbraw/zinc/80/14/94/1069801494.db2.gz UVNCDAZFWQUETN-QHCPKHFHSA-N 0 0 496.549 0.829 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000523969099 1069807309 /nfs/dbraw/zinc/80/73/09/1069807309.db2.gz XPAXASDKCPJNRL-UHFFFAOYSA-N 0 0 467.457 0.887 20 30 JCEDRN CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC000523991804 1069810626 /nfs/dbraw/zinc/81/06/26/1069810626.db2.gz OQTLJQZGJKRBIT-UHFFFAOYSA-N 0 0 457.508 0.867 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000524023058 1069812779 /nfs/dbraw/zinc/81/27/79/1069812779.db2.gz KCJZDPLLYFZCKP-UHFFFAOYSA-N 0 0 454.483 0.707 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccc(F)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000524023223 1069812450 /nfs/dbraw/zinc/81/24/50/1069812450.db2.gz NNTCOEAHHJWLHQ-UHFFFAOYSA-N 0 0 466.494 0.804 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000524023260 1069812877 /nfs/dbraw/zinc/81/28/77/1069812877.db2.gz PPHOWDZKNIQGDA-UHFFFAOYSA-N 0 0 479.562 0.871 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000524023433 1069812802 /nfs/dbraw/zinc/81/28/02/1069812802.db2.gz STWAHFUSPKLFKQ-UHFFFAOYSA-N 0 0 450.520 0.877 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(C)cc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000524023517 1069812394 /nfs/dbraw/zinc/81/23/94/1069812394.db2.gz ZOEKWSQPFFEOGD-UHFFFAOYSA-N 0 0 462.531 0.973 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000524024260 1069812602 /nfs/dbraw/zinc/81/26/02/1069812602.db2.gz WTYGDPVGCXBDKV-UHFFFAOYSA-N 0 0 493.545 0.527 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CC1 ZINC000524035533 1069814570 /nfs/dbraw/zinc/81/45/70/1069814570.db2.gz UZNCZHJBEGBRJT-HXUWFJFHSA-N 0 0 468.535 0.819 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)cc1 ZINC000524035829 1069814794 /nfs/dbraw/zinc/81/47/94/1069814794.db2.gz FZWZQYRBLFKCEP-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1cccnc1 ZINC000524107430 1069818489 /nfs/dbraw/zinc/81/84/89/1069818489.db2.gz GHNFLYUSZNCWRJ-UHFFFAOYSA-N 0 0 488.569 0.844 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCc2cccs2)CC1 ZINC000524107764 1069818289 /nfs/dbraw/zinc/81/82/89/1069818289.db2.gz XWXJVVPZQVEDQY-UHFFFAOYSA-N 0 0 482.635 0.615 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCc1cccnc1 ZINC000524108610 1069818172 /nfs/dbraw/zinc/81/81/72/1069818172.db2.gz KKXKALYWCJAHSD-UHFFFAOYSA-N 0 0 497.558 0.879 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCc1cccnc1 ZINC000524108777 1069818436 /nfs/dbraw/zinc/81/84/36/1069818436.db2.gz UNIMDCWSSKRADA-UHFFFAOYSA-N 0 0 475.509 0.516 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCNS(C)(=O)=O)c1C ZINC000524108837 1069818228 /nfs/dbraw/zinc/81/82/28/1069818228.db2.gz YMFSZDYZEVWQOD-UHFFFAOYSA-N 0 0 482.587 0.857 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCc1cccnc1 ZINC000524109429 1069818201 /nfs/dbraw/zinc/81/82/01/1069818201.db2.gz ASMALKBCCBNYDN-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCc1cccnc1 ZINC000524109659 1069818188 /nfs/dbraw/zinc/81/81/88/1069818188.db2.gz NTLXWWZKMLHWLT-UHFFFAOYSA-N 0 0 494.573 0.830 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524121824 1069819098 /nfs/dbraw/zinc/81/90/98/1069819098.db2.gz IKNJJDCCJRHIMC-UHFFFAOYSA-N 0 0 473.498 0.604 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524121969 1069818750 /nfs/dbraw/zinc/81/87/50/1069818750.db2.gz VOBQXWOSHZCYPF-LLVKDONJSA-N 0 0 487.525 0.995 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524121970 1069818864 /nfs/dbraw/zinc/81/88/64/1069818864.db2.gz VOBQXWOSHZCYPF-NSHDSACASA-N 0 0 487.525 0.995 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000524122800 1069818950 /nfs/dbraw/zinc/81/89/50/1069818950.db2.gz SERZZESHCYZKLK-CYBMUJFWSA-N 0 0 467.469 0.772 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000524122801 1069819241 /nfs/dbraw/zinc/81/92/41/1069819241.db2.gz SERZZESHCYZKLK-ZDUSSCGKSA-N 0 0 467.469 0.772 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000524122807 1069818934 /nfs/dbraw/zinc/81/89/34/1069818934.db2.gz SJHVAXRDSGTGQX-UHFFFAOYSA-N 0 0 480.468 0.856 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000524122867 1069819068 /nfs/dbraw/zinc/81/90/68/1069819068.db2.gz XOJBWDVYKPNMAL-UHFFFAOYSA-N 0 0 494.539 0.935 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCCC(=O)OC ZINC000524123655 1069818885 /nfs/dbraw/zinc/81/88/85/1069818885.db2.gz UBJAGWTUJWHSCY-UHFFFAOYSA-N 0 0 483.468 0.546 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000524123723 1069818788 /nfs/dbraw/zinc/81/87/88/1069818788.db2.gz YTAGNGKAZFULRJ-UHFFFAOYSA-N 0 0 495.479 0.642 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O ZINC000524124517 1069819586 /nfs/dbraw/zinc/81/95/86/1069819586.db2.gz TVWKQULNOCOGHH-UHFFFAOYSA-N 0 0 450.442 0.374 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000524124591 1069820209 /nfs/dbraw/zinc/82/02/09/1069820209.db2.gz VPENZBCVRMAJID-UHFFFAOYSA-N 0 0 452.414 0.075 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000524124699 1069819207 /nfs/dbraw/zinc/81/92/07/1069819207.db2.gz BPLAGFLCENRBJS-AWEZNQCLSA-N 0 0 479.480 0.868 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000524124700 1069819514 /nfs/dbraw/zinc/81/95/14/1069819514.db2.gz BPLAGFLCENRBJS-CQSZACIVSA-N 0 0 479.480 0.868 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 ZINC000524164606 1069821769 /nfs/dbraw/zinc/82/17/69/1069821769.db2.gz KQNSPLFEHXLEGS-UHFFFAOYSA-N 0 0 458.496 0.881 20 30 JCEDRN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1S(=O)(=O)NCC#N ZINC000524230462 1069826035 /nfs/dbraw/zinc/82/60/35/1069826035.db2.gz VQTXSHAKYFZJSC-UHFFFAOYSA-N 0 0 491.551 0.170 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 ZINC000524232639 1069827029 /nfs/dbraw/zinc/82/70/29/1069827029.db2.gz AUTMTVURGCORPV-UHFFFAOYSA-N 0 0 465.535 0.743 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(C)o3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000524232869 1069826972 /nfs/dbraw/zinc/82/69/72/1069826972.db2.gz PQVRXEQWBIMQIT-UHFFFAOYSA-N 0 0 452.492 0.566 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000524233493 1069827736 /nfs/dbraw/zinc/82/77/36/1069827736.db2.gz DEAAWQGKQHLPCC-UHFFFAOYSA-N 0 0 494.529 0.687 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(OC)nc1 ZINC000524233540 1069827760 /nfs/dbraw/zinc/82/77/60/1069827760.db2.gz HKEJFHXDJBGLFK-UHFFFAOYSA-N 0 0 450.520 0.877 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccc3C)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000524233595 1069827804 /nfs/dbraw/zinc/82/78/04/1069827804.db2.gz LAQVYKTYJJRQES-UHFFFAOYSA-N 0 0 462.531 0.973 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000524233668 1069826696 /nfs/dbraw/zinc/82/66/96/1069826696.db2.gz PXMFXQAQAZSREM-UHFFFAOYSA-N 0 0 462.487 0.837 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccc(OC)nc1 ZINC000524234268 1069827853 /nfs/dbraw/zinc/82/78/53/1069827853.db2.gz DQUZTLVKCGLFOJ-UHFFFAOYSA-N 0 0 456.549 0.938 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000524234457 1069827487 /nfs/dbraw/zinc/82/74/87/1069827487.db2.gz QNMMAPLXGABOEZ-UHFFFAOYSA-N 0 0 465.535 0.563 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000524234575 1069827711 /nfs/dbraw/zinc/82/77/11/1069827711.db2.gz ZOLJRBFSDBWPOC-UHFFFAOYSA-N 0 0 476.514 0.894 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000524234935 1069827643 /nfs/dbraw/zinc/82/76/43/1069827643.db2.gz AKQRAHPUMOHWTE-UHFFFAOYSA-N 0 0 480.546 0.885 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(OC)nc2)c1=O ZINC000524234956 1069827558 /nfs/dbraw/zinc/82/75/58/1069827558.db2.gz BJQJWAKVKMGTHQ-UHFFFAOYSA-N 0 0 481.490 0.859 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1-c1ccc(OC)nc1 ZINC000524234972 1069827342 /nfs/dbraw/zinc/82/73/42/1069827342.db2.gz CSVRYULSQUEKJI-UHFFFAOYSA-N 0 0 496.545 0.585 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 ZINC000524235052 1069827380 /nfs/dbraw/zinc/82/73/80/1069827380.db2.gz IDSYVORRXBLPIS-UHFFFAOYSA-N 0 0 466.519 0.577 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000524235174 1069827584 /nfs/dbraw/zinc/82/75/84/1069827584.db2.gz PPCDRJWULYGUOZ-UHFFFAOYSA-N 0 0 484.921 0.976 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccsc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000524235236 1069827462 /nfs/dbraw/zinc/82/74/62/1069827462.db2.gz TWAHMVOQAPHCSY-UHFFFAOYSA-N 0 0 497.602 0.316 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)cc1 ZINC000524259519 1069828199 /nfs/dbraw/zinc/82/81/99/1069828199.db2.gz WOUXDPIJOQUAHZ-UHFFFAOYSA-N 0 0 459.459 0.268 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCc2ccc3c(c2)OCCO3)c1=O ZINC000524266581 1069829161 /nfs/dbraw/zinc/82/91/61/1069829161.db2.gz LJEPFDWSIYXLLR-UHFFFAOYSA-N 0 0 491.573 0.783 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000524266614 1069829190 /nfs/dbraw/zinc/82/91/90/1069829190.db2.gz NAUBVKNMZBNVMD-UHFFFAOYSA-N 0 0 477.546 0.462 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccc3c(c2)OCCO3)c1=O ZINC000524266833 1069829341 /nfs/dbraw/zinc/82/93/41/1069829341.db2.gz XSHFWWIBPSVUNL-UHFFFAOYSA-N 0 0 477.546 0.439 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000524268099 1069829084 /nfs/dbraw/zinc/82/90/84/1069829084.db2.gz SELFJDQIJGLDOF-UHFFFAOYSA-N 0 0 487.541 0.930 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000524274823 1069831633 /nfs/dbraw/zinc/83/16/33/1069831633.db2.gz AKJMOISTAPJWEM-UHFFFAOYSA-N 0 0 473.942 0.560 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000524274861 1069831540 /nfs/dbraw/zinc/83/15/40/1069831540.db2.gz CPBKNBOZCZGXOF-UHFFFAOYSA-N 0 0 476.514 0.879 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000524274892 1069831592 /nfs/dbraw/zinc/83/15/92/1069831592.db2.gz DMCMKSWDEORNBX-UHFFFAOYSA-N 0 0 476.514 0.855 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3csc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000524274898 1069831393 /nfs/dbraw/zinc/83/13/93/1069831393.db2.gz DYUANLBOUORJOQ-UHFFFAOYSA-N 0 0 499.530 0.634 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(S(C)(=O)=O)cc3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000524274907 1069831265 /nfs/dbraw/zinc/83/12/65/1069831265.db2.gz FPMSFNXHFHRBHO-UHFFFAOYSA-N 0 0 496.570 0.488 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccc(OC)nc2)c1=O ZINC000524275050 1069831570 /nfs/dbraw/zinc/83/15/70/1069831570.db2.gz IDARYMGECJAFLO-UHFFFAOYSA-N 0 0 480.546 0.967 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 ZINC000524275069 1069830800 /nfs/dbraw/zinc/83/08/00/1069830800.db2.gz IUYNIEVUBFTGCJ-UHFFFAOYSA-N 0 0 481.490 0.476 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(OC)nc3)c2=O)c1 ZINC000524275073 1069830312 /nfs/dbraw/zinc/83/03/12/1069830312.db2.gz IYIMXUNMTKUMJW-UHFFFAOYSA-N 0 0 478.530 0.673 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(OC)nc1 ZINC000524275082 1069831513 /nfs/dbraw/zinc/83/15/13/1069831513.db2.gz JKSDIFZLLXCNSB-UHFFFAOYSA-N 0 0 498.517 0.256 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000524275100 1069831657 /nfs/dbraw/zinc/83/16/57/1069831657.db2.gz KLQVFNQLMJZTSC-UHFFFAOYSA-N 0 0 496.618 0.735 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000524275112 1069831319 /nfs/dbraw/zinc/83/13/19/1069831319.db2.gz KVZIDHKDVDJXET-UHFFFAOYSA-N 0 0 466.519 0.577 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000524275140 1069831744 /nfs/dbraw/zinc/83/17/44/1069831744.db2.gz MTWDKWUHJUOLAY-UHFFFAOYSA-N 0 0 463.475 0.992 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000524275143 1069831423 /nfs/dbraw/zinc/83/14/23/1069831423.db2.gz MWJBUQKAPNXVEB-UHFFFAOYSA-N 0 0 495.517 0.867 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(F)cc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000524275162 1069831724 /nfs/dbraw/zinc/83/17/24/1069831724.db2.gz NZOHZSFIZFCRNE-UHFFFAOYSA-N 0 0 466.494 0.804 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000524275171 1069831612 /nfs/dbraw/zinc/83/16/12/1069831612.db2.gz OTUJVMPXKIEOFR-UHFFFAOYSA-N 0 0 492.557 0.893 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 ZINC000524275193 1069831701 /nfs/dbraw/zinc/83/17/01/1069831701.db2.gz QAQJUOUFOATAFV-UHFFFAOYSA-N 0 0 487.519 0.538 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)nc1 ZINC000524275292 1069831241 /nfs/dbraw/zinc/83/12/41/1069831241.db2.gz WJXJFUFESBXVQE-UHFFFAOYSA-N 0 0 450.520 0.958 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(OC)nc3)c2=O)cc1 ZINC000524275293 1069831366 /nfs/dbraw/zinc/83/13/66/1069831366.db2.gz WKYOCBMENXGWFJ-UHFFFAOYSA-N 0 0 478.530 0.673 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccc(OC)nc1 ZINC000524275294 1069832164 /nfs/dbraw/zinc/83/21/64/1069832164.db2.gz WNMLEHYFEKSZQN-UHFFFAOYSA-N 0 0 456.549 0.938 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(OC)nc1 ZINC000524275300 1069832187 /nfs/dbraw/zinc/83/21/87/1069832187.db2.gz WYFUGJHKVVNYJE-UHFFFAOYSA-N 0 0 457.537 0.333 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000524275302 1069831953 /nfs/dbraw/zinc/83/19/53/1069831953.db2.gz XBPJPCPFSMEMCX-UHFFFAOYSA-N 0 0 466.519 0.577 20 30 JCEDRN CCOc1ccc(OCC)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000524275729 1069832026 /nfs/dbraw/zinc/83/20/26/1069832026.db2.gz UZFLBKWDRDMFCV-UHFFFAOYSA-N 0 0 497.577 0.696 20 30 JCEDRN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000524276064 1069832355 /nfs/dbraw/zinc/83/23/55/1069832355.db2.gz PPLNIORULFPWIU-UHFFFAOYSA-N 0 0 488.522 0.818 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000524276093 1069832002 /nfs/dbraw/zinc/83/20/02/1069832002.db2.gz STKWILLEYKIMHL-UHFFFAOYSA-N 0 0 484.509 0.716 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)C1CCC1 ZINC000524281009 1069833552 /nfs/dbraw/zinc/83/35/52/1069833552.db2.gz ARYNFIITSXDQDX-UHFFFAOYSA-N 0 0 465.984 0.985 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281025 1069833673 /nfs/dbraw/zinc/83/36/73/1069833673.db2.gz BNRHLKXYIOUDGV-UHFFFAOYSA-N 0 0 485.534 0.789 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1 ZINC000524281026 1069833289 /nfs/dbraw/zinc/83/32/89/1069833289.db2.gz BPJGLGQPXWCEMF-UHFFFAOYSA-N 0 0 490.541 0.925 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000524281032 1069833724 /nfs/dbraw/zinc/83/37/24/1069833724.db2.gz CEAYVGGYBOETMF-UHFFFAOYSA-N 0 0 496.932 0.961 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O ZINC000524281041 1069833430 /nfs/dbraw/zinc/83/34/30/1069833430.db2.gz CQBGBRHDPJYLGI-AWEZNQCLSA-N 0 0 475.592 0.512 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O ZINC000524281042 1069833488 /nfs/dbraw/zinc/83/34/88/1069833488.db2.gz CQBGBRHDPJYLGI-CQSZACIVSA-N 0 0 475.592 0.512 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCNS(C)(=O)=O)c1=O ZINC000524281044 1069832767 /nfs/dbraw/zinc/83/27/67/1069832767.db2.gz CQYZGDYSFPRJAF-UHFFFAOYSA-N 0 0 490.607 0.029 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OCc3ccccc3F)c2)c(=O)n1CC(N)=O ZINC000524281046 1069832966 /nfs/dbraw/zinc/83/29/66/1069832966.db2.gz CSOJOOBTJSADBF-UHFFFAOYSA-N 0 0 492.532 0.895 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000524281047 1069832672 /nfs/dbraw/zinc/83/26/72/1069832672.db2.gz CSRSUGNLFZABCV-UHFFFAOYSA-N 0 0 483.015 0.388 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O ZINC000524281048 1069833132 /nfs/dbraw/zinc/83/31/32/1069833132.db2.gz CWMXCPVTQCLEPK-UHFFFAOYSA-N 0 0 479.331 0.422 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)cc1 ZINC000524281050 1069832940 /nfs/dbraw/zinc/83/29/40/1069832940.db2.gz DBGPPEBVMWNTEF-UHFFFAOYSA-N 0 0 490.541 0.870 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1CC(N)=O ZINC000524281055 1069832602 /nfs/dbraw/zinc/83/26/02/1069832602.db2.gz DKAQDQHXICTCBV-UHFFFAOYSA-N 0 0 464.494 0.643 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000524281081 1069832911 /nfs/dbraw/zinc/83/29/11/1069832911.db2.gz FOFAXAQAHMTPKQ-UHFFFAOYSA-N 0 0 490.632 0.703 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O ZINC000524281083 1069832702 /nfs/dbraw/zinc/83/27/02/1069832702.db2.gz FSFGWSUNRLWVKT-UHFFFAOYSA-N 0 0 489.619 0.902 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)cc1 ZINC000524281090 1069832864 /nfs/dbraw/zinc/83/28/64/1069832864.db2.gz FYELGVIIXQPOKT-UHFFFAOYSA-N 0 0 476.514 0.617 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc(OC)c1OC ZINC000524281112 1069833069 /nfs/dbraw/zinc/83/30/69/1069833069.db2.gz HBXPKRAZKUXGJB-UHFFFAOYSA-N 0 0 459.524 0.539 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000524281127 1069833748 /nfs/dbraw/zinc/83/37/48/1069833748.db2.gz HYFITHFYZSDUNL-UHFFFAOYSA-N 0 0 463.581 0.586 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O ZINC000524281138 1069833777 /nfs/dbraw/zinc/83/37/77/1069833777.db2.gz IHGYYKYLQGPVGS-UHFFFAOYSA-N 0 0 467.334 0.064 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O ZINC000524281141 1069833803 /nfs/dbraw/zinc/83/38/03/1069833803.db2.gz INBSVGQYRVUGEO-UHFFFAOYSA-N 0 0 454.430 0.321 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(F)(F)F)cc3)c(=O)n2CC(N)=O)CC1 ZINC000524281146 1069833629 /nfs/dbraw/zinc/83/36/29/1069833629.db2.gz ISVRGDMDFHYSAY-UHFFFAOYSA-N 0 0 493.511 0.081 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)cc1F ZINC000524281148 1069833323 /nfs/dbraw/zinc/83/33/23/1069833323.db2.gz ITOZBYLCIHKZDB-UHFFFAOYSA-N 0 0 467.478 0.937 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O ZINC000524281149 1069833347 /nfs/dbraw/zinc/83/33/47/1069833347.db2.gz IXYMILTUYBANFA-UHFFFAOYSA-N 0 0 462.478 0.558 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O ZINC000524281163 1069833372 /nfs/dbraw/zinc/83/33/72/1069833372.db2.gz JODBMQVPTSNJKS-UHFFFAOYSA-N 0 0 480.477 0.447 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O ZINC000524281167 1069833529 /nfs/dbraw/zinc/83/35/29/1069833529.db2.gz JXNAUDQRGPFTOS-UHFFFAOYSA-N 0 0 451.545 0.716 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2c(Cl)cccc2Cl)n(CC(N)=O)c1=O ZINC000524281170 1069833701 /nfs/dbraw/zinc/83/37/01/1069833701.db2.gz KAAPVCHQXZWTPK-UHFFFAOYSA-N 0 0 462.318 0.821 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1 ZINC000524281173 1069833578 /nfs/dbraw/zinc/83/35/78/1069833578.db2.gz KDKATCIQELAVGW-UHFFFAOYSA-N 0 0 490.541 0.925 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O ZINC000524281174 1069833462 /nfs/dbraw/zinc/83/34/62/1069833462.db2.gz KDSBLDVUYAGDMU-UHFFFAOYSA-N 0 0 454.552 0.744 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc(OC)c1OC ZINC000524281178 1069833396 /nfs/dbraw/zinc/83/33/96/1069833396.db2.gz KEOVXZGAPPYXBJ-UHFFFAOYSA-N 0 0 459.524 0.539 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(N)=O ZINC000524281184 1069833601 /nfs/dbraw/zinc/83/36/01/1069833601.db2.gz KPZHKUFOHKFTDV-UHFFFAOYSA-N 0 0 460.581 0.163 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCNS(C)(=O)=O ZINC000524281192 1069832137 /nfs/dbraw/zinc/83/21/37/1069832137.db2.gz LGRBFFIVAOXJRR-UHFFFAOYSA-N 0 0 490.651 0.804 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524281202 1069831894 /nfs/dbraw/zinc/83/18/94/1069831894.db2.gz LQNGJVFBBZTSKE-UHFFFAOYSA-N 0 0 482.587 0.909 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCNS(C)(=O)=O ZINC000524281203 1069832285 /nfs/dbraw/zinc/83/22/85/1069832285.db2.gz LQWUXPWYJZEBPE-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)ccc1OC(F)F ZINC000524281205 1069832264 /nfs/dbraw/zinc/83/22/64/1069832264.db2.gz LWOCNAZQSWSAJZ-UHFFFAOYSA-N 0 0 480.493 0.280 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O ZINC000524281218 1069832307 /nfs/dbraw/zinc/83/23/07/1069832307.db2.gz MIPIMPSBSXVMCH-UHFFFAOYSA-N 0 0 475.592 0.512 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc(Br)c1O ZINC000524281220 1069832622 /nfs/dbraw/zinc/83/26/22/1069832622.db2.gz MKVNJDLSLXRRDS-UHFFFAOYSA-N 0 0 480.340 0.600 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCNS(C)(=O)=O ZINC000524281229 1069832890 /nfs/dbraw/zinc/83/28/90/1069832890.db2.gz MQGRRKMYTOHGGR-UHFFFAOYSA-N 0 0 462.597 0.105 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000524281234 1069832577 /nfs/dbraw/zinc/83/25/77/1069832577.db2.gz MSBSFSNCUIIRTD-UHFFFAOYSA-N 0 0 455.359 0.248 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000524281237 1069832994 /nfs/dbraw/zinc/83/29/94/1069832994.db2.gz MWGVIGVEBUYVGG-UHFFFAOYSA-N 0 0 462.597 0.104 20 30 JCEDRN N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000524281238 1069833045 /nfs/dbraw/zinc/83/30/45/1069833045.db2.gz MWQJTUMYUAXSRY-UHFFFAOYSA-N 0 0 452.423 0.828 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)C1CCC1 ZINC000524281240 1069833016 /nfs/dbraw/zinc/83/30/16/1069833016.db2.gz MXUNRTVKOWSQAW-UHFFFAOYSA-N 0 0 476.536 0.239 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000524281243 1069832836 /nfs/dbraw/zinc/83/28/36/1069832836.db2.gz NAIJMXFXWDGKSN-UHFFFAOYSA-N 0 0 459.593 0.948 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281249 1069833097 /nfs/dbraw/zinc/83/30/97/1069833097.db2.gz NENFPOLHQNSUPB-UHFFFAOYSA-N 0 0 484.550 0.012 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O ZINC000524281262 1069834256 /nfs/dbraw/zinc/83/42/56/1069834256.db2.gz NXGYOEGVORQKSZ-UHFFFAOYSA-N 0 0 492.579 0.876 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000524281264 1069834393 /nfs/dbraw/zinc/83/43/93/1069834393.db2.gz OBYDJJWPCFNILT-UHFFFAOYSA-N 0 0 452.458 0.833 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281265 1069834189 /nfs/dbraw/zinc/83/41/89/1069834189.db2.gz OCDLKOYZUGHSCC-UHFFFAOYSA-N 0 0 462.597 0.105 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O ZINC000524281275 1069834134 /nfs/dbraw/zinc/83/41/34/1069834134.db2.gz ONGMTVVDRUGLJC-UHFFFAOYSA-N 0 0 483.377 0.748 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000524281282 1069834234 /nfs/dbraw/zinc/83/42/34/1069834234.db2.gz OVXSBEYTZHFEBK-UHFFFAOYSA-N 0 0 476.942 0.095 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000524281286 1069834280 /nfs/dbraw/zinc/83/42/80/1069834280.db2.gz PEENPFIIAGVJGZ-UHFFFAOYSA-N 0 0 488.635 0.638 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000524281287 1069834213 /nfs/dbraw/zinc/83/42/13/1069834213.db2.gz PFBSSHZMQRSHQB-UHFFFAOYSA-N 0 0 451.545 0.716 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000524281293 1069834440 /nfs/dbraw/zinc/83/44/40/1069834440.db2.gz PKHYATXBFGIQST-UHFFFAOYSA-N 0 0 464.459 0.698 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O ZINC000524281298 1069834347 /nfs/dbraw/zinc/83/43/47/1069834347.db2.gz PQLRLHYAOHKQNH-CYBMUJFWSA-N 0 0 478.552 0.485 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O ZINC000524281299 1069834049 /nfs/dbraw/zinc/83/40/49/1069834049.db2.gz PQLRLHYAOHKQNH-ZDUSSCGKSA-N 0 0 478.552 0.485 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)c1ccc(F)cc1 ZINC000524281301 1069834162 /nfs/dbraw/zinc/83/41/62/1069834162.db2.gz PSTAXQCABUHSLH-UHFFFAOYSA-N 0 0 472.523 0.379 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O ZINC000524281303 1069833515 /nfs/dbraw/zinc/83/35/15/1069833515.db2.gz PTPKSPNIJXGHLN-UHFFFAOYSA-N 0 0 465.304 0.102 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O ZINC000524281308 1069834366 /nfs/dbraw/zinc/83/43/66/1069834366.db2.gz QADZWWVJLIZVMX-UHFFFAOYSA-N 0 0 450.545 0.905 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O ZINC000524281311 1069834419 /nfs/dbraw/zinc/83/44/19/1069834419.db2.gz QDJWVLNPUQQACM-UHFFFAOYSA-N 0 0 463.357 0.433 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O ZINC000524281315 1069834088 /nfs/dbraw/zinc/83/40/88/1069834088.db2.gz QEVITTXCAWZTLW-UHFFFAOYSA-N 0 0 467.320 0.324 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O ZINC000524281319 1069834312 /nfs/dbraw/zinc/83/43/12/1069834312.db2.gz QIRXUIBYVKAFIK-UHFFFAOYSA-N 0 0 481.347 0.572 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1F ZINC000524281329 1069834108 /nfs/dbraw/zinc/83/41/08/1069834108.db2.gz QTJRAXVEDUZVOW-UHFFFAOYSA-N 0 0 481.461 0.657 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524281337 1069837057 /nfs/dbraw/zinc/83/70/57/1069837057.db2.gz RFZUYRRLIGPCRD-UHFFFAOYSA-N 0 0 463.581 0.586 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O ZINC000524281350 1069836775 /nfs/dbraw/zinc/83/67/75/1069836775.db2.gz ROUZTTVJRCIJHZ-UHFFFAOYSA-N 0 0 469.350 0.358 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1C ZINC000524281351 1069836712 /nfs/dbraw/zinc/83/67/12/1069836712.db2.gz ROYYOCDXMRMTRR-UHFFFAOYSA-N 0 0 477.498 0.827 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000524281359 1069836833 /nfs/dbraw/zinc/83/68/33/1069836833.db2.gz SBKCZCYOGIUNTO-UHFFFAOYSA-N 0 0 453.611 0.947 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000524281372 1069836978 /nfs/dbraw/zinc/83/69/78/1069836978.db2.gz SSRDJBVJVKGKJO-UHFFFAOYSA-N 0 0 492.623 0.051 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000524281375 1069836681 /nfs/dbraw/zinc/83/66/81/1069836681.db2.gz SVDHLDXTXLSWHS-UHFFFAOYSA-N 0 0 463.581 0.586 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2CC(N)=O)CC1 ZINC000524281385 1069836552 /nfs/dbraw/zinc/83/65/52/1069836552.db2.gz UBSJRUPOGVPDNE-UHFFFAOYSA-N 0 0 494.404 0.369 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000524281390 1069837004 /nfs/dbraw/zinc/83/70/04/1069837004.db2.gz UNZNKHYLRDVDDB-UHFFFAOYSA-N 0 0 494.664 0.600 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O ZINC000524281395 1069836601 /nfs/dbraw/zinc/83/66/01/1069836601.db2.gz UYKRIRJYRILFRQ-UHFFFAOYSA-N 0 0 461.499 0.725 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)c1 ZINC000524281397 1069837028 /nfs/dbraw/zinc/83/70/28/1069837028.db2.gz VCUOMSHOHYVOLI-UHFFFAOYSA-N 0 0 457.552 0.929 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCNS(C)(=O)=O ZINC000524281405 1069836738 /nfs/dbraw/zinc/83/67/38/1069836738.db2.gz VITQLEUBYLNQKQ-UHFFFAOYSA-N 0 0 468.626 0.248 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000524281417 1069836858 /nfs/dbraw/zinc/83/68/58/1069836858.db2.gz WAAWXFBHQYLFFL-UHFFFAOYSA-N 0 0 462.597 0.187 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000524281431 1069836882 /nfs/dbraw/zinc/83/68/82/1069836882.db2.gz WSRCPFKXDXWBPL-UHFFFAOYSA-N 0 0 480.637 0.210 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000524281445 1069836654 /nfs/dbraw/zinc/83/66/54/1069836654.db2.gz XOWDZFBSHPCDIT-UHFFFAOYSA-N 0 0 453.343 0.001 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)N1CCCC1 ZINC000524281452 1069836630 /nfs/dbraw/zinc/83/66/30/1069836630.db2.gz YCACFWLKTOJQFB-UHFFFAOYSA-N 0 0 480.999 0.238 20 30 JCEDRN CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCNS(C)(=O)=O)cc1 ZINC000524281453 1069836906 /nfs/dbraw/zinc/83/69/06/1069836906.db2.gz YCTATXAWKHWSPB-UHFFFAOYSA-N 0 0 499.618 0.531 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O ZINC000524281464 1069837092 /nfs/dbraw/zinc/83/70/92/1069837092.db2.gz YOZHPQQWIHVCFA-UHFFFAOYSA-N 0 0 466.441 0.419 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CC(N)=O)c1=O ZINC000524281465 1069837623 /nfs/dbraw/zinc/83/76/23/1069837623.db2.gz YQOJHUJQGGDHHC-UHFFFAOYSA-N 0 0 465.462 0.957 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281467 1069837668 /nfs/dbraw/zinc/83/76/68/1069837668.db2.gz YWCMURDIDOFVFV-UHFFFAOYSA-N 0 0 476.624 0.495 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000524281468 1069837479 /nfs/dbraw/zinc/83/74/79/1069837479.db2.gz YXGKGCPQLFOAHD-UHFFFAOYSA-N 0 0 486.550 0.740 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000524281476 1069836955 /nfs/dbraw/zinc/83/69/55/1069836955.db2.gz ZMOXFFHEOYVDSO-UHFFFAOYSA-N 0 0 484.962 0.057 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000524281477 1069836928 /nfs/dbraw/zinc/83/69/28/1069836928.db2.gz ZMZPWDWURANGGG-UHFFFAOYSA-N 0 0 488.616 0.479 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O ZINC000524281492 1069836328 /nfs/dbraw/zinc/83/63/28/1069836328.db2.gz ZYCCXPLWCJTOJK-UHFFFAOYSA-N 0 0 493.501 0.844 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O ZINC000524281804 1069836012 /nfs/dbraw/zinc/83/60/12/1069836012.db2.gz ACOGLKGIIAPCRZ-UHFFFAOYSA-N 0 0 461.927 0.938 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000524281806 1069835992 /nfs/dbraw/zinc/83/59/92/1069835992.db2.gz AFYYCQFSTKXSMD-UHFFFAOYSA-N 0 0 495.026 0.674 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281815 1069836293 /nfs/dbraw/zinc/83/62/93/1069836293.db2.gz ASOFDTAXPAATSV-UHFFFAOYSA-N 0 0 462.597 0.187 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O ZINC000524281831 1069836309 /nfs/dbraw/zinc/83/63/09/1069836309.db2.gz BZXFMNBUPLHXCE-UHFFFAOYSA-N 0 0 469.350 0.358 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(CC(N)=O)c2=O)cc1 ZINC000524281845 1069835942 /nfs/dbraw/zinc/83/59/42/1069835942.db2.gz CQJQVNRRVGLYFR-UHFFFAOYSA-N 0 0 467.528 0.938 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)C1CCC1 ZINC000524281849 1069836249 /nfs/dbraw/zinc/83/62/49/1069836249.db2.gz CTXFLTKRAVIZRS-UHFFFAOYSA-N 0 0 497.545 0.933 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(N)=O ZINC000524281852 1069836035 /nfs/dbraw/zinc/83/60/35/1069836035.db2.gz CXBQRDGDTGYPCE-UHFFFAOYSA-N 0 0 474.926 0.339 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O ZINC000524281867 1069836147 /nfs/dbraw/zinc/83/61/47/1069836147.db2.gz DNTANWFNWVKNNU-UHFFFAOYSA-N 0 0 476.942 0.237 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281882 1069836175 /nfs/dbraw/zinc/83/61/75/1069836175.db2.gz FBQVCZMVLHBHNH-UHFFFAOYSA-N 0 0 468.988 0.142 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000524281883 1069835914 /nfs/dbraw/zinc/83/59/14/1069835914.db2.gz FCGIDHORVLODAX-UHFFFAOYSA-N 0 0 490.651 0.660 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000524281888 1069835881 /nfs/dbraw/zinc/83/58/81/1069835881.db2.gz FHQIQMYBTJUOAC-UHFFFAOYSA-N 0 0 466.441 0.419 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000524281889 1069836119 /nfs/dbraw/zinc/83/61/19/1069836119.db2.gz FITUSKUTQNNMQF-UHFFFAOYSA-N 0 0 464.469 0.976 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O ZINC000524281892 1069836227 /nfs/dbraw/zinc/83/62/27/1069836227.db2.gz FNYQDOMNSLTKLV-UHFFFAOYSA-N 0 0 489.044 0.449 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000524281894 1069836271 /nfs/dbraw/zinc/83/62/71/1069836271.db2.gz FQZYMIFVGUATDM-UHFFFAOYSA-N 0 0 451.545 0.716 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)ccc1OC(F)F ZINC000524281895 1069836063 /nfs/dbraw/zinc/83/60/63/1069836063.db2.gz FSKIZRMHMBSDGT-UHFFFAOYSA-N 0 0 478.477 0.131 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1OC ZINC000524281900 1069836347 /nfs/dbraw/zinc/83/63/47/1069836347.db2.gz GBPWGTOLSQATNG-UHFFFAOYSA-N 0 0 473.551 0.929 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281905 1069836197 /nfs/dbraw/zinc/83/61/97/1069836197.db2.gz GEIUJJLAVALJLY-UHFFFAOYSA-N 0 0 483.015 0.532 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000524281915 1069835702 /nfs/dbraw/zinc/83/57/02/1069835702.db2.gz GVVGJSFMESFIOX-UHFFFAOYSA-N 0 0 452.414 0.099 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O ZINC000524281918 1069835968 /nfs/dbraw/zinc/83/59/68/1069835968.db2.gz GYPIGLBWBBMWDG-UHFFFAOYSA-N 0 0 483.377 0.748 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524281920 1069834896 /nfs/dbraw/zinc/83/48/96/1069834896.db2.gz GZQLCDBVAIOXPR-UHFFFAOYSA-N 0 0 474.608 0.329 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CCNS(C)(=O)=O ZINC000524281924 1069834945 /nfs/dbraw/zinc/83/49/45/1069834945.db2.gz HDLVGMZOYGNJTK-UHFFFAOYSA-N 0 0 498.586 0.524 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O ZINC000524281925 1069834993 /nfs/dbraw/zinc/83/49/93/1069834993.db2.gz HENRRGIMVJMUNC-UHFFFAOYSA-N 0 0 482.562 0.078 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O ZINC000524281939 1069835294 /nfs/dbraw/zinc/83/52/94/1069835294.db2.gz HVUUXIBIXVNFQQ-UHFFFAOYSA-N 0 0 484.550 0.012 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000524281944 1069835654 /nfs/dbraw/zinc/83/56/54/1069835654.db2.gz HZEGUTGEORCPSF-UHFFFAOYSA-N 0 0 490.651 0.858 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O ZINC000524281973 1069835676 /nfs/dbraw/zinc/83/56/76/1069835676.db2.gz JJHBGFXPUSJTTC-UHFFFAOYSA-N 0 0 450.467 0.416 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CC(N)=O)c1=O ZINC000524281981 1069835593 /nfs/dbraw/zinc/83/55/93/1069835593.db2.gz JXBOTQYCTAUQSK-UHFFFAOYSA-N 0 0 453.501 0.880 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524281986 1069835484 /nfs/dbraw/zinc/83/54/84/1069835484.db2.gz KIHWJRVPLJNCRC-UHFFFAOYSA-N 0 0 474.608 0.147 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281992 1069835143 /nfs/dbraw/zinc/83/51/43/1069835143.db2.gz KSJBQOYLRNMFQQ-UHFFFAOYSA-N 0 0 484.962 0.057 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524281993 1069835628 /nfs/dbraw/zinc/83/56/28/1069835628.db2.gz KSJQMYSDXYAWKR-UHFFFAOYSA-N 0 0 469.535 0.855 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(N)=O ZINC000524281995 1069835330 /nfs/dbraw/zinc/83/53/30/1069835330.db2.gz KVHBYSGELGPSNB-UHFFFAOYSA-N 0 0 480.493 0.424 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000524282000 1069835724 /nfs/dbraw/zinc/83/57/24/1069835724.db2.gz LBFPGXYZEJKOEQ-UHFFFAOYSA-N 0 0 498.989 0.377 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282001 1069835508 /nfs/dbraw/zinc/83/55/08/1069835508.db2.gz LCCLPMTWNLNYON-UHFFFAOYSA-N 0 0 492.579 0.876 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C(F)(F)F)c3)c(=O)n2CC(N)=O)CC1 ZINC000524282007 1069835437 /nfs/dbraw/zinc/83/54/37/1069835437.db2.gz LKIBAURBNFOUDS-UHFFFAOYSA-N 0 0 493.511 0.081 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524282011 1069835275 /nfs/dbraw/zinc/83/52/75/1069835275.db2.gz LNVFNAKVQNNARB-UHFFFAOYSA-N 0 0 461.565 0.340 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1OC ZINC000524282014 1069835389 /nfs/dbraw/zinc/83/53/89/1069835389.db2.gz LXPMXQZMKZJZPU-UHFFFAOYSA-N 0 0 459.524 0.539 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O ZINC000524282015 1069835312 /nfs/dbraw/zinc/83/53/12/1069835312.db2.gz LZVNCTWGVDNGEK-UHFFFAOYSA-N 0 0 496.932 0.961 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282020 1069835564 /nfs/dbraw/zinc/83/55/64/1069835564.db2.gz MFMXKOXYZWOMLU-UHFFFAOYSA-N 0 0 478.552 0.485 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282025 1069835614 /nfs/dbraw/zinc/83/56/14/1069835614.db2.gz MMXCYJWRSNJYRA-UHFFFAOYSA-N 0 0 484.550 0.157 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524282028 1069835376 /nfs/dbraw/zinc/83/53/76/1069835376.db2.gz MQVATZJAPPOZNA-UHFFFAOYSA-N 0 0 462.597 0.049 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000524282053 1069835351 /nfs/dbraw/zinc/83/53/51/1069835351.db2.gz OEEWKSRRIMXWIN-UHFFFAOYSA-N 0 0 468.988 0.140 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000524282058 1069835407 /nfs/dbraw/zinc/83/54/07/1069835407.db2.gz OGHCPTMWAGGHHE-UHFFFAOYSA-N 0 0 490.607 0.028 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cc1F ZINC000524282059 1069835540 /nfs/dbraw/zinc/83/55/40/1069835540.db2.gz OHCBUKNDROIGOT-UHFFFAOYSA-N 0 0 479.555 0.479 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O ZINC000524282069 1069834837 /nfs/dbraw/zinc/83/48/37/1069834837.db2.gz OOVRTILNQWDQLD-UHFFFAOYSA-N 0 0 469.535 0.855 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282074 1069835081 /nfs/dbraw/zinc/83/50/81/1069835081.db2.gz ORUTXDLBHBNXKU-UHFFFAOYSA-N 0 0 490.607 0.053 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000524282079 1069835050 /nfs/dbraw/zinc/83/50/50/1069835050.db2.gz OVWVYYZZALMFES-UHFFFAOYSA-N 0 0 453.343 0.001 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c(Cl)c1 ZINC000524282081 1069835113 /nfs/dbraw/zinc/83/51/13/1069835113.db2.gz OYYBISFHBFWMAC-UHFFFAOYSA-N 0 0 496.010 0.993 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O ZINC000524282091 1069834783 /nfs/dbraw/zinc/83/47/83/1069834783.db2.gz PGXYCXPWIXIVBE-UHFFFAOYSA-N 0 0 478.552 0.485 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CCNS(C)(=O)=O)c1=O ZINC000524282111 1069834716 /nfs/dbraw/zinc/83/47/16/1069834716.db2.gz QIQGBCIMIMEOFA-UHFFFAOYSA-N 0 0 483.571 0.854 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc1 ZINC000524282114 1069834696 /nfs/dbraw/zinc/83/46/96/1069834696.db2.gz QMUSKDWSBFIWQH-UHFFFAOYSA-N 0 0 465.462 0.707 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000524282127 1069834614 /nfs/dbraw/zinc/83/46/14/1069834614.db2.gz RETWYHGRXGXUNY-UHFFFAOYSA-N 0 0 452.458 0.833 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000524282188 1069835019 /nfs/dbraw/zinc/83/50/19/1069835019.db2.gz VBEIAARJRQBILL-UHFFFAOYSA-N 0 0 474.608 0.329 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000524282198 1069834925 /nfs/dbraw/zinc/83/49/25/1069834925.db2.gz VPUXXPXTROVFOV-UHFFFAOYSA-N 0 0 454.552 0.746 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524282208 1069834865 /nfs/dbraw/zinc/83/48/65/1069834865.db2.gz WFLPXRDHQKLVKS-UHFFFAOYSA-N 0 0 483.571 0.854 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282209 1069834643 /nfs/dbraw/zinc/83/46/43/1069834643.db2.gz WFOIADNFGMMJRA-CYBMUJFWSA-N 0 0 451.545 0.716 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282210 1069834672 /nfs/dbraw/zinc/83/46/72/1069834672.db2.gz WFOIADNFGMMJRA-ZDUSSCGKSA-N 0 0 451.545 0.716 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000524282213 1069833964 /nfs/dbraw/zinc/83/39/64/1069833964.db2.gz WIZYYJHAVBJMOU-UHFFFAOYSA-N 0 0 475.592 0.648 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000524282215 1069834068 /nfs/dbraw/zinc/83/40/68/1069834068.db2.gz WMNCOLGZHCWHII-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O ZINC000524282232 1069834000 /nfs/dbraw/zinc/83/40/00/1069834000.db2.gz XNHWRICUYCEZQU-UHFFFAOYSA-N 0 0 450.467 0.272 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O ZINC000524282235 1069834027 /nfs/dbraw/zinc/83/40/27/1069834027.db2.gz XPMDGUVZOVZEAX-UHFFFAOYSA-N 0 0 454.961 0.156 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282241 1069834812 /nfs/dbraw/zinc/83/48/12/1069834812.db2.gz XWHPIOWMCNIEBE-CYBMUJFWSA-N 0 0 481.571 0.725 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282242 1069834966 /nfs/dbraw/zinc/83/49/66/1069834966.db2.gz XWHPIOWMCNIEBE-ZDUSSCGKSA-N 0 0 481.571 0.725 20 30 JCEDRN COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O ZINC000524282265 1069837295 /nfs/dbraw/zinc/83/72/95/1069837295.db2.gz ZKMMXHXJIBQJSC-UHFFFAOYSA-N 0 0 483.377 0.986 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O ZINC000524282620 1069829709 /nfs/dbraw/zinc/82/97/09/1069829709.db2.gz AAFNBVPYTKJFOR-UHFFFAOYSA-N 0 0 450.520 0.829 20 30 JCEDRN Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccc(S(C)(=O)=O)cc3)c(=O)n2CC(N)=O)c1 ZINC000524282623 1069830155 /nfs/dbraw/zinc/83/01/55/1069830155.db2.gz AJIFDUCLGFTVLH-UHFFFAOYSA-N 0 0 495.582 0.801 20 30 JCEDRN N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000524282642 1069829919 /nfs/dbraw/zinc/82/99/19/1069829919.db2.gz BJSNTTTYGQPVBW-UHFFFAOYSA-N 0 0 492.467 0.640 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(CC)oc3ccccc32)c(=O)n1CC(N)=O ZINC000524282646 1069829683 /nfs/dbraw/zinc/82/96/83/1069829683.db2.gz BTHXTHIVNNXRCT-UHFFFAOYSA-N 0 0 482.562 0.750 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000524282653 1069837904 /nfs/dbraw/zinc/83/79/04/1069837904.db2.gz COALMMLFMIRVNS-UHFFFAOYSA-N 0 0 466.441 0.141 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O ZINC000524282661 1069837995 /nfs/dbraw/zinc/83/79/95/1069837995.db2.gz CYHXCYCMBDQWEM-UHFFFAOYSA-N 0 0 461.341 0.283 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282676 1069838389 /nfs/dbraw/zinc/83/83/89/1069838389.db2.gz DYSHOPOUXCRJOZ-UHFFFAOYSA-N 0 0 499.618 0.282 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000524282677 1069838040 /nfs/dbraw/zinc/83/80/40/1069838040.db2.gz DYXKDFUHVJQQHY-UHFFFAOYSA-N 0 0 454.487 0.233 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000524282678 1069838349 /nfs/dbraw/zinc/83/83/49/1069838349.db2.gz DZAXECARFYJUIB-UHFFFAOYSA-N 0 0 468.514 0.623 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O ZINC000524282684 1069838244 /nfs/dbraw/zinc/83/82/44/1069838244.db2.gz FJGMHZAJLLPIEI-UHFFFAOYSA-N 0 0 467.334 0.064 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000524282723 1069838271 /nfs/dbraw/zinc/83/82/71/1069838271.db2.gz HLESCTPFAXYBOL-UHFFFAOYSA-N 0 0 480.468 0.462 20 30 JCEDRN N#CCCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000524282726 1069838304 /nfs/dbraw/zinc/83/83/04/1069838304.db2.gz HPEMMCHIQZWRDB-UHFFFAOYSA-N 0 0 465.535 0.203 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O ZINC000524282728 1069838189 /nfs/dbraw/zinc/83/81/89/1069838189.db2.gz HZBROFLRUWKRPL-UHFFFAOYSA-N 0 0 450.545 0.929 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000524282729 1069838152 /nfs/dbraw/zinc/83/81/52/1069838152.db2.gz HZTILEQDXFXELY-UHFFFAOYSA-N 0 0 468.457 0.365 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)c(C)c1 ZINC000524282781 1069838123 /nfs/dbraw/zinc/83/81/23/1069838123.db2.gz KOYTUJFZGWKKLX-UHFFFAOYSA-N 0 0 474.608 0.201 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1C ZINC000524282782 1069838325 /nfs/dbraw/zinc/83/83/25/1069838325.db2.gz KPMSOBIWEADWPJ-UHFFFAOYSA-N 0 0 454.552 0.582 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)s1 ZINC000524282792 1069838094 /nfs/dbraw/zinc/83/80/94/1069838094.db2.gz LCULTMJTSLWGCM-UHFFFAOYSA-N 0 0 453.501 0.880 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O ZINC000524282793 1069838017 /nfs/dbraw/zinc/83/80/17/1069838017.db2.gz LGXOUUBUCUVDBP-UHFFFAOYSA-N 0 0 480.477 0.447 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(N)=O ZINC000524282806 1069837600 /nfs/dbraw/zinc/83/76/00/1069837600.db2.gz MBGFEHCBVLLTSF-UHFFFAOYSA-N 0 0 472.567 0.066 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O ZINC000524282815 1069837333 /nfs/dbraw/zinc/83/73/33/1069837333.db2.gz MNBSITXPXKPPFK-UHFFFAOYSA-N 0 0 480.546 0.701 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c(C)c1 ZINC000524282838 1069837715 /nfs/dbraw/zinc/83/77/15/1069837715.db2.gz NVFKCAXKDDIJCT-UHFFFAOYSA-N 0 0 462.597 0.104 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000524282845 1069837277 /nfs/dbraw/zinc/83/72/77/1069837277.db2.gz OBFICYWTUWLUTP-UHFFFAOYSA-N 0 0 489.492 0.257 20 30 JCEDRN COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O ZINC000524282853 1069837546 /nfs/dbraw/zinc/83/75/46/1069837546.db2.gz OQXPJJDEIRKDDN-UHFFFAOYSA-N 0 0 464.341 0.894 20 30 JCEDRN Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O ZINC000524282873 1069837693 /nfs/dbraw/zinc/83/76/93/1069837693.db2.gz PPUKMYDLCRTLAY-UHFFFAOYSA-N 0 0 474.589 0.610 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OCCC)c(OC)c2)c(=O)n1CC(N)=O ZINC000524282889 1069837515 /nfs/dbraw/zinc/83/75/15/1069837515.db2.gz QKEPQUOCMOHHRK-UHFFFAOYSA-N 0 0 490.969 0.651 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000524282891 1069838066 /nfs/dbraw/zinc/83/80/66/1069838066.db2.gz QMACTQQLMLSRKN-UHFFFAOYSA-N 0 0 497.602 0.133 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c(C)c1 ZINC000524282895 1069837968 /nfs/dbraw/zinc/83/79/68/1069837968.db2.gz QYYRHADSTWVJNU-UHFFFAOYSA-N 0 0 490.541 0.925 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524282898 1069837939 /nfs/dbraw/zinc/83/79/39/1069837939.db2.gz RBUHPUFYWSRTAN-UHFFFAOYSA-N 0 0 489.575 0.118 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000524282899 1069838369 /nfs/dbraw/zinc/83/83/69/1069838369.db2.gz RDUINFZYSQJHEY-UHFFFAOYSA-N 0 0 491.591 0.364 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O ZINC000524282934 1069838218 /nfs/dbraw/zinc/83/82/18/1069838218.db2.gz TURWKXFHHRKJLC-UHFFFAOYSA-N 0 0 466.519 0.311 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC(N)=O)c1=O ZINC000524282953 1069837423 /nfs/dbraw/zinc/83/74/23/1069837423.db2.gz VELYJRHCSILLDV-UHFFFAOYSA-N 0 0 468.535 0.359 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O ZINC000524282963 1069837316 /nfs/dbraw/zinc/83/73/16/1069837316.db2.gz WBAZEXJRWITMRO-UHFFFAOYSA-N 0 0 482.587 0.779 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000524282974 1069837738 /nfs/dbraw/zinc/83/77/38/1069837738.db2.gz WIRRIYFSEYQWKD-UHFFFAOYSA-N 0 0 488.616 0.971 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(N)=O ZINC000524282997 1069837349 /nfs/dbraw/zinc/83/73/49/1069837349.db2.gz XWDBUWDNGGUWCR-UHFFFAOYSA-N 0 0 453.524 0.105 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000524283025 1069837574 /nfs/dbraw/zinc/83/75/74/1069837574.db2.gz ZTBMKYPDCLFLAD-UHFFFAOYSA-N 0 0 453.611 0.947 20 30 JCEDRN CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)CC1 ZINC000524289251 1069830431 /nfs/dbraw/zinc/83/04/31/1069830431.db2.gz ITIFGJQWJIOXTM-UHFFFAOYSA-N 0 0 452.515 0.247 20 30 JCEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)cc2)c1N ZINC000524296951 1069838564 /nfs/dbraw/zinc/83/85/64/1069838564.db2.gz XFZFXPCYMPVAAC-UHFFFAOYSA-N 0 0 451.512 0.936 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCc1cccnc1 ZINC000524334125 1069842605 /nfs/dbraw/zinc/84/26/05/1069842605.db2.gz IRPPGADCIRLOER-UHFFFAOYSA-N 0 0 455.565 0.578 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccnc3)c2=O)cc1 ZINC000524334620 1069840431 /nfs/dbraw/zinc/84/04/31/1069840431.db2.gz FANPRZIWYKVLMU-UHFFFAOYSA-N 0 0 494.598 0.733 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCc1cccnc1 ZINC000524335441 1069841064 /nfs/dbraw/zinc/84/10/64/1069841064.db2.gz RGLAAJXKAMZHPU-UHFFFAOYSA-N 0 0 492.557 0.584 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 ZINC000524335807 1069840105 /nfs/dbraw/zinc/84/01/05/1069840105.db2.gz KTOBTILTPWAYAX-UHFFFAOYSA-N 0 0 457.581 0.603 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 ZINC000524336247 1069840374 /nfs/dbraw/zinc/84/03/74/1069840374.db2.gz KMGKVFLLJAKNFB-AWEZNQCLSA-N 0 0 457.581 0.602 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 ZINC000524336248 1069840177 /nfs/dbraw/zinc/84/01/77/1069840177.db2.gz KMGKVFLLJAKNFB-CQSZACIVSA-N 0 0 457.581 0.602 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccs1 ZINC000524336733 1069841011 /nfs/dbraw/zinc/84/10/11/1069841011.db2.gz DQLUDSDHFJDOPD-UHFFFAOYSA-N 0 0 452.561 0.971 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccs1 ZINC000524336793 1069840651 /nfs/dbraw/zinc/84/06/51/1069840651.db2.gz IGMZAUNZPLUCJI-UHFFFAOYSA-N 0 0 495.630 0.560 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccs1 ZINC000524337105 1069841083 /nfs/dbraw/zinc/84/10/83/1069841083.db2.gz WGPILWYGNNCMFT-UHFFFAOYSA-N 0 0 473.601 0.867 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccs1 ZINC000524337309 1069840852 /nfs/dbraw/zinc/84/08/52/1069840852.db2.gz BXWWOVJDRQMWET-UHFFFAOYSA-N 0 0 495.630 0.560 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCc1cccnc1 ZINC000524337327 1069840900 /nfs/dbraw/zinc/84/09/00/1069840900.db2.gz DASOJDHLEJSMNZ-UHFFFAOYSA-N 0 0 452.511 0.952 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)cs1 ZINC000524337355 1069840985 /nfs/dbraw/zinc/84/09/85/1069840985.db2.gz FMAIRPOLDHQOCI-UHFFFAOYSA-N 0 0 467.576 0.674 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2CCc2cccnc2)CC1 ZINC000524337387 1069841155 /nfs/dbraw/zinc/84/11/55/1069841155.db2.gz IEIGGFQTTRMMCS-UHFFFAOYSA-N 0 0 480.619 0.671 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccs1 ZINC000524337744 1069840734 /nfs/dbraw/zinc/84/07/34/1069840734.db2.gz SVKAQGWDNAKPQI-UHFFFAOYSA-N 0 0 484.603 0.758 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 ZINC000524341996 1069841038 /nfs/dbraw/zinc/84/10/38/1069841038.db2.gz HTVOTSZBKJEXSH-UHFFFAOYSA-N 0 0 463.563 0.988 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1cccnc1 ZINC000524343112 1069841195 /nfs/dbraw/zinc/84/11/95/1069841195.db2.gz PWZOQMXTUJQYKU-UHFFFAOYSA-N 0 0 491.529 0.818 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCc1cccnc1 ZINC000524343155 1069841131 /nfs/dbraw/zinc/84/11/31/1069841131.db2.gz URUQXLGGDYOUOE-UHFFFAOYSA-N 0 0 496.545 0.501 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1CCc1cccnc1 ZINC000524343168 1069840779 /nfs/dbraw/zinc/84/07/79/1069840779.db2.gz WIMKVRVFWNQMTL-UHFFFAOYSA-N 0 0 495.630 0.560 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(CCc2cccnc2)c1=O ZINC000524344292 1069841795 /nfs/dbraw/zinc/84/17/95/1069841795.db2.gz JOIKNZQLOULETC-UHFFFAOYSA-N 0 0 460.519 0.693 20 30 JCEDRN CC(C)C(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000524366273 1069843591 /nfs/dbraw/zinc/84/35/91/1069843591.db2.gz XYBLZUNEFDLMHI-UHFFFAOYSA-N 0 0 461.588 0.581 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524410643 1069851268 /nfs/dbraw/zinc/85/12/68/1069851268.db2.gz KKGUPBCLRBXOTA-UHFFFAOYSA-N 0 0 487.525 0.995 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000524411065 1069851022 /nfs/dbraw/zinc/85/10/22/1069851022.db2.gz ISLHLOHRUBRQHW-UHFFFAOYSA-N 0 0 490.463 0.986 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000524411202 1069851102 /nfs/dbraw/zinc/85/11/02/1069851102.db2.gz RGQCLEHJJCUQCH-UHFFFAOYSA-N 0 0 478.496 0.465 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NCCOC ZINC000524411520 1069852154 /nfs/dbraw/zinc/85/21/54/1069852154.db2.gz FLAFCAUBJFVIEE-UHFFFAOYSA-N 0 0 455.458 0.629 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000524412026 1069851482 /nfs/dbraw/zinc/85/14/82/1069851482.db2.gz CNWZACGOHULFQO-UHFFFAOYSA-N 0 0 478.496 0.465 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000524412198 1069851443 /nfs/dbraw/zinc/85/14/43/1069851443.db2.gz QSWAWCBGUBYBAP-UHFFFAOYSA-N 0 0 468.457 0.713 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000524412272 1069851314 /nfs/dbraw/zinc/85/13/14/1069851314.db2.gz WXLWZKKXSIWRNH-UHFFFAOYSA-N 0 0 478.496 0.441 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000524412287 1069851139 /nfs/dbraw/zinc/85/11/39/1069851139.db2.gz YFESLUYALOMZHP-UHFFFAOYSA-N 0 0 494.539 0.935 20 30 JCEDRN COCCOc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000524427147 1069854054 /nfs/dbraw/zinc/85/40/54/1069854054.db2.gz GDAJWLHUSSNBAY-UHFFFAOYSA-N 0 0 473.511 0.450 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COCC(=O)NCc3cccnc3)CC2)cc1 ZINC000524442447 1069853015 /nfs/dbraw/zinc/85/30/15/1069853015.db2.gz KOBICNOXZNZPHM-UHFFFAOYSA-N 0 0 457.512 0.119 20 30 JCEDRN Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)NCC#N ZINC000524443213 1069853194 /nfs/dbraw/zinc/85/31/94/1069853194.db2.gz DMJWLVFGPMHDCS-UHFFFAOYSA-N 0 0 455.540 0.876 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000524536104 1069862263 /nfs/dbraw/zinc/86/22/63/1069862263.db2.gz ZPPIAYNOCSCEOF-IBGZPJMESA-N 0 0 453.524 0.920 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000524536105 1069862045 /nfs/dbraw/zinc/86/20/45/1069862045.db2.gz ZPPIAYNOCSCEOF-LJQANCHMSA-N 0 0 453.524 0.920 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1C ZINC000524574253 1069863726 /nfs/dbraw/zinc/86/37/26/1069863726.db2.gz HKYODKFCQFOLPT-UHFFFAOYSA-N 0 0 488.569 0.977 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCNS(C)(=O)=O ZINC000524574286 1069864053 /nfs/dbraw/zinc/86/40/53/1069864053.db2.gz IBXFRYCOQRJJFI-UHFFFAOYSA-N 0 0 462.597 0.105 20 30 JCEDRN Cc1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1S(=O)(=O)NCC#N ZINC000524577739 1069864367 /nfs/dbraw/zinc/86/43/67/1069864367.db2.gz UBNLCOBFSVBTPW-UHFFFAOYSA-N 0 0 470.555 0.661 20 30 JCEDRN Cc1ccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1S(=O)(=O)NCC#N ZINC000524579526 1069864747 /nfs/dbraw/zinc/86/47/47/1069864747.db2.gz QXBSDRNYGNZXAS-UHFFFAOYSA-N 0 0 458.544 0.813 20 30 JCEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000524676547 1069870685 /nfs/dbraw/zinc/87/06/85/1069870685.db2.gz ZQWFENDNUBHARW-INIZCTEOSA-N 0 0 473.555 0.406 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000524676548 1069871204 /nfs/dbraw/zinc/87/12/04/1069871204.db2.gz ZQWFENDNUBHARW-MRXNPFEDSA-N 0 0 473.555 0.406 20 30 JCEDRN C=CCN(C(=O)CSCC(=O)N(CC=C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000533811249 1070015191 /nfs/dbraw/zinc/01/51/91/1070015191.db2.gz ACGNJSLJYXROPU-HOTGVXAUSA-N 0 0 464.631 0.123 20 30 JCEDRN C=CCN(C(=O)CSCC(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000533811258 1070015571 /nfs/dbraw/zinc/01/55/71/1070015571.db2.gz ACGNJSLJYXROPU-HZPDHXFCSA-N 0 0 464.631 0.123 20 30 JCEDRN C=CCN(C(=O)CSCC(=O)N(CC=C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000533811260 1070015557 /nfs/dbraw/zinc/01/55/57/1070015557.db2.gz ACGNJSLJYXROPU-IYBDPMFKSA-N 0 0 464.631 0.123 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)CSCC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000533812068 1070014676 /nfs/dbraw/zinc/01/46/76/1070014676.db2.gz NGJSYNGFZRBANH-UHFFFAOYSA-N 0 0 490.593 0.951 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)CSCC(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)c1 ZINC000535259844 1067786029 /nfs/dbraw/zinc/78/60/29/1067786029.db2.gz CXCSPLAHWBVVFM-UHFFFAOYSA-N 0 0 490.593 0.951 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)C2CCC2)c1 ZINC000548806686 1067851141 /nfs/dbraw/zinc/85/11/41/1067851141.db2.gz KKZQPXMDWVAUAW-UHFFFAOYSA-N 0 0 497.602 0.755 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCc1ccccn1 ZINC000548945511 1067892039 /nfs/dbraw/zinc/89/20/39/1067892039.db2.gz CDAXANQJEGLPLD-UHFFFAOYSA-N 0 0 452.561 0.971 20 30 JCEDRN N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000549033062 1067915915 /nfs/dbraw/zinc/91/59/15/1067915915.db2.gz CTPNZTNLRVDAFI-UHFFFAOYSA-N 0 0 483.550 0.866 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000549147367 1067940631 /nfs/dbraw/zinc/94/06/31/1067940631.db2.gz GIFWGEHNHMZJQZ-UHFFFAOYSA-N 0 0 480.546 0.945 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000549150039 1067940594 /nfs/dbraw/zinc/94/05/94/1067940594.db2.gz LAWPLCXSKJJDQJ-UHFFFAOYSA-N 0 0 494.598 0.731 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000549150041 1067940643 /nfs/dbraw/zinc/94/06/43/1067940643.db2.gz LCURMHLLZFRNSL-UHFFFAOYSA-N 0 0 471.564 0.067 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000549150426 1067940949 /nfs/dbraw/zinc/94/09/49/1067940949.db2.gz PMWQHQNWQYVLNX-UHFFFAOYSA-N 0 0 494.598 0.719 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1ccccn1 ZINC000549195325 1067942290 /nfs/dbraw/zinc/94/22/90/1067942290.db2.gz VBLLIJCVSDMVMC-UHFFFAOYSA-N 0 0 492.557 0.932 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000549529732 1068030884 /nfs/dbraw/zinc/03/08/84/1068030884.db2.gz UHYKKBQGSPDSQX-UHFFFAOYSA-N 0 0 459.531 0.955 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000549529794 1068030400 /nfs/dbraw/zinc/03/04/00/1068030400.db2.gz RHABZISAUKDQJF-UHFFFAOYSA-N 0 0 477.502 0.934 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000549746598 1068132375 /nfs/dbraw/zinc/13/23/75/1068132375.db2.gz ZXLHUDYTMWRXGZ-UHFFFAOYSA-N 0 0 494.529 0.355 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C ZINC000549844620 1068139187 /nfs/dbraw/zinc/13/91/87/1068139187.db2.gz DJIRWHNJPSQGFJ-UHFFFAOYSA-N 0 0 476.580 0.987 20 30 JCEDRN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000549845345 1067796552 /nfs/dbraw/zinc/79/65/52/1067796552.db2.gz UMSBAAYUJLNJMQ-UHFFFAOYSA-N 0 0 476.580 0.987 20 30 JCEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000549951779 1068341278 /nfs/dbraw/zinc/34/12/78/1068341278.db2.gz LFGMCPNWBJAZQR-UHFFFAOYSA-N 0 0 460.478 0.961 20 30 JCEDRN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000549957745 1067806051 /nfs/dbraw/zinc/80/60/51/1067806051.db2.gz HKRSEKOPFISTLZ-UHFFFAOYSA-N 0 0 490.563 0.572 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1CC(N)=O ZINC000550103889 1069358640 /nfs/dbraw/zinc/35/86/40/1069358640.db2.gz GZYJONXAJXXVKT-UHFFFAOYSA-N 0 0 474.542 0.756 20 30 JCEDRN N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000550104398 1069359095 /nfs/dbraw/zinc/35/90/95/1069359095.db2.gz SMGYDVJQPLOVAT-UHFFFAOYSA-N 0 0 452.423 0.828 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)ccc1SC ZINC000550106083 1069358858 /nfs/dbraw/zinc/35/88/58/1069358858.db2.gz BBPXSQGRCNFZJB-UHFFFAOYSA-N 0 0 495.648 0.918 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1 ZINC000550106088 1069359025 /nfs/dbraw/zinc/35/90/25/1069359025.db2.gz BBTVQUFKVWBJJI-UHFFFAOYSA-N 0 0 462.487 0.323 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O ZINC000550106492 1069359597 /nfs/dbraw/zinc/35/95/97/1069359597.db2.gz GONXJRMLDRMILE-UHFFFAOYSA-N 0 0 489.600 0.915 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000550106561 1069359110 /nfs/dbraw/zinc/35/91/10/1069359110.db2.gz HLKQSPUXYRVSQS-UHFFFAOYSA-N 0 0 469.386 0.638 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc(OC)c1OC ZINC000550106796 1069358984 /nfs/dbraw/zinc/35/89/84/1069358984.db2.gz IDEOPYQSBCGXKD-UHFFFAOYSA-N 0 0 497.504 0.946 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(N)=O ZINC000550107918 1069359483 /nfs/dbraw/zinc/35/94/83/1069359483.db2.gz SJTRBQWEPSFPCW-UHFFFAOYSA-N 0 0 456.568 0.564 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(OC)nc1 ZINC000550121874 1069360807 /nfs/dbraw/zinc/36/08/07/1069360807.db2.gz AKOPUVHUHOJIDC-UHFFFAOYSA-N 0 0 471.564 0.723 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000550137693 1069362431 /nfs/dbraw/zinc/36/24/31/1069362431.db2.gz KDDDPZDMQNXASQ-UHFFFAOYSA-N 0 0 480.546 0.967 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 ZINC000550240170 1069366443 /nfs/dbraw/zinc/36/64/43/1069366443.db2.gz OGLHNKGZCLQBFO-UHFFFAOYSA-N 0 0 466.516 0.509 20 30 JCEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000550247859 1069597245 /nfs/dbraw/zinc/59/72/45/1069597245.db2.gz HDCKMYBCZLMGHB-UHFFFAOYSA-N 0 0 455.338 0.996 20 30 JCEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000550248706 1069366601 /nfs/dbraw/zinc/36/66/01/1069366601.db2.gz QQKXUBCCWBAFDZ-UHFFFAOYSA-N 0 0 455.338 0.996 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3cccc(F)c3)s2)c(=O)n1CC(N)=O ZINC000550462643 1069597453 /nfs/dbraw/zinc/59/74/53/1069597453.db2.gz AUGWJXIITXKSQY-UHFFFAOYSA-N 0 0 498.561 0.625 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000550463134 1069594808 /nfs/dbraw/zinc/59/48/08/1069594808.db2.gz KLTDISYEKMJSAO-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(-c3cccs3)c2)c(=O)n1CC(N)=O ZINC000550463216 1069595503 /nfs/dbraw/zinc/59/55/03/1069595503.db2.gz MJHIGYYOSCLJGW-UHFFFAOYSA-N 0 0 486.550 0.528 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000550463866 1069612760 /nfs/dbraw/zinc/61/27/60/1069612760.db2.gz XZEPUACGWCDWAQ-UHFFFAOYSA-N 0 0 492.623 0.112 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)N1CCCC1 ZINC000550466313 1069615183 /nfs/dbraw/zinc/61/51/83/1069615183.db2.gz KBMZZZSVXSPMOC-UHFFFAOYSA-N 0 0 498.989 0.377 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O ZINC000550466865 1069616548 /nfs/dbraw/zinc/61/65/48/1069616548.db2.gz QULZRGMOUSMQCK-UHFFFAOYSA-N 0 0 484.559 0.249 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000551257009 1070070574 /nfs/dbraw/zinc/07/05/74/1070070574.db2.gz PBCCZTHYYNADJN-UHFFFAOYSA-N 0 0 490.532 0.649 20 30 JCEDRN N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 ZINC000551274360 1070071420 /nfs/dbraw/zinc/07/14/20/1070071420.db2.gz PFDBXIXRGFODJQ-UHFFFAOYSA-N 0 0 470.576 0.716 20 30 JCEDRN COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000551386132 1067809009 /nfs/dbraw/zinc/80/90/09/1067809009.db2.gz QKMDEOYJYKOFOW-UHFFFAOYSA-N 0 0 486.506 0.582 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CCN1CCOCC1 ZINC000551684079 1070080909 /nfs/dbraw/zinc/08/09/09/1070080909.db2.gz WOFOXQLNLRUTMV-UHFFFAOYSA-N 0 0 482.484 0.390 20 30 JCEDRN COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000551687145 1067810066 /nfs/dbraw/zinc/81/00/66/1067810066.db2.gz HEKSLCVXANKJCY-UHFFFAOYSA-N 0 0 486.506 0.582 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000551876640 1070083194 /nfs/dbraw/zinc/08/31/94/1070083194.db2.gz XCGXOVXYCXTVCP-UHFFFAOYSA-N 0 0 475.958 0.955 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C ZINC000552010335 1070085579 /nfs/dbraw/zinc/08/55/79/1070085579.db2.gz PGYJHLPXXWSARS-UHFFFAOYSA-N 0 0 476.580 0.987 20 30 JCEDRN Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)c(C#N)c2N)cc1 ZINC000552143990 1070090523 /nfs/dbraw/zinc/09/05/23/1070090523.db2.gz PZRMUJWSKSUAEG-IBGZPJMESA-N 0 0 479.585 0.864 20 30 JCEDRN Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)c(C#N)c2N)cc1 ZINC000552143992 1070090382 /nfs/dbraw/zinc/09/03/82/1070090382.db2.gz PZRMUJWSKSUAEG-LJQANCHMSA-N 0 0 479.585 0.864 20 30 JCEDRN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000552170392 1069263920 /nfs/dbraw/zinc/26/39/20/1069263920.db2.gz FHHYLJURNVKWAJ-UHFFFAOYSA-N 0 0 476.580 0.987 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000552507762 1070096806 /nfs/dbraw/zinc/09/68/06/1070096806.db2.gz HLXJLXZVYFMWOT-UHFFFAOYSA-N 0 0 482.563 0.140 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000552508259 1070096902 /nfs/dbraw/zinc/09/69/02/1070096902.db2.gz XHNGVSNNJPBFBY-UHFFFAOYSA-N 0 0 459.366 0.174 20 30 JCEDRN COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000552734764 1069421517 /nfs/dbraw/zinc/42/15/17/1069421517.db2.gz RMKBBZCFOKXUAI-GOSISDBHSA-N 0 0 455.496 0.600 20 30 JCEDRN COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000552734781 1070099658 /nfs/dbraw/zinc/09/96/58/1070099658.db2.gz RMKBBZCFOKXUAI-SFHVURJKSA-N 0 0 455.496 0.600 20 30 JCEDRN CS(=O)(=O)N1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000552828008 1070101214 /nfs/dbraw/zinc/10/12/14/1070101214.db2.gz BMLPNMQKTCSWKZ-UHFFFAOYSA-N 0 0 462.532 0.422 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C[C@@H]1CCCO1 ZINC000552871970 1070102233 /nfs/dbraw/zinc/10/22/33/1070102233.db2.gz YKRRDGMYHODMFJ-AWEZNQCLSA-N 0 0 457.508 0.582 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C[C@H]1CCCO1 ZINC000552871971 1070102124 /nfs/dbraw/zinc/10/21/24/1070102124.db2.gz YKRRDGMYHODMFJ-CQSZACIVSA-N 0 0 457.508 0.582 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000552936094 1070106869 /nfs/dbraw/zinc/10/68/69/1070106869.db2.gz MVTIISAVLLXIES-UHFFFAOYSA-N 0 0 484.581 0.235 20 30 JCEDRN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000552979645 1070107932 /nfs/dbraw/zinc/10/79/32/1070107932.db2.gz NLQADLZMTMISFZ-UHFFFAOYSA-N 0 0 464.569 0.981 20 30 JCEDRN COC(=O)[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(OC)cc1 ZINC000553021882 1069440494 /nfs/dbraw/zinc/44/04/94/1069440494.db2.gz GWZYXPYPLGGSKA-JOCHJYFZSA-N 0 0 486.550 0.904 20 30 JCEDRN COC(=O)[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(OC)cc1 ZINC000553021883 1069440558 /nfs/dbraw/zinc/44/05/58/1069440558.db2.gz GWZYXPYPLGGSKA-QFIPXVFZSA-N 0 0 486.550 0.904 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000553157952 1070111252 /nfs/dbraw/zinc/11/12/52/1070111252.db2.gz GLJJYHCLAAJPLU-IBGZPJMESA-N 0 0 450.561 0.832 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000553157953 1070111389 /nfs/dbraw/zinc/11/13/89/1070111389.db2.gz GLJJYHCLAAJPLU-LJQANCHMSA-N 0 0 450.561 0.832 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CCN1CCOCC1 ZINC000553181562 1070111358 /nfs/dbraw/zinc/11/13/58/1070111358.db2.gz PBZTXJBNCIZFIE-UHFFFAOYSA-N 0 0 492.985 0.162 20 30 JCEDRN CCCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000553208775 1069451960 /nfs/dbraw/zinc/45/19/60/1069451960.db2.gz BONSLERSGUKPLV-UHFFFAOYSA-N 0 0 476.549 0.940 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)CC1 ZINC000553212066 1070112962 /nfs/dbraw/zinc/11/29/62/1070112962.db2.gz OLRDKLCSQCXWJC-DEOSSOPVSA-N 0 0 453.543 0.822 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)CC1 ZINC000553212067 1070112819 /nfs/dbraw/zinc/11/28/19/1070112819.db2.gz OLRDKLCSQCXWJC-XMMPIXPASA-N 0 0 453.543 0.822 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc(C)cc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000553273093 1070117896 /nfs/dbraw/zinc/11/78/96/1070117896.db2.gz ABYIENPSPKMNMX-UHFFFAOYSA-N 0 0 498.649 0.905 20 30 JCEDRN CCn1c(=O)c(=Cc2cccc(OC(C)C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000553276129 1069453314 /nfs/dbraw/zinc/45/33/14/1069453314.db2.gz JQHSDDFONYDESF-UHFFFAOYSA-N 0 0 470.595 0.668 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000553282260 1069453368 /nfs/dbraw/zinc/45/33/68/1069453368.db2.gz WCZNGUMFRWLUKJ-UHFFFAOYSA-N 0 0 493.589 0.056 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCCOCC ZINC000553325226 1070124487 /nfs/dbraw/zinc/12/44/87/1070124487.db2.gz GGFYTZPRZFJTTN-UHFFFAOYSA-N 0 0 485.562 0.921 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 ZINC000553357070 1070127206 /nfs/dbraw/zinc/12/72/06/1070127206.db2.gz HTBGKKYISMKTOM-UHFFFAOYSA-N 0 0 454.552 0.205 20 30 JCEDRN N#Cc1cccc(CNC(=O)CS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 ZINC000553393138 1070128160 /nfs/dbraw/zinc/12/81/60/1070128160.db2.gz IPYTUIDADMKZFH-UHFFFAOYSA-N 0 0 464.525 0.064 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(-n4cncn4)c(F)c3)c(=O)n2C2CC2)CC1 ZINC000553595114 1070132082 /nfs/dbraw/zinc/13/20/82/1070132082.db2.gz DWTLTJBIJYSKLR-UHFFFAOYSA-N 0 0 493.568 0.632 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000553660121 1070133667 /nfs/dbraw/zinc/13/36/67/1070133667.db2.gz LUBPDUIECKLPEY-HNNXBMFYSA-N 0 0 492.548 0.174 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000553660122 1070133732 /nfs/dbraw/zinc/13/37/32/1070133732.db2.gz LUBPDUIECKLPEY-OAHLLOKOSA-N 0 0 492.548 0.174 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000553669684 1070133624 /nfs/dbraw/zinc/13/36/24/1070133624.db2.gz ZPWZARDOICRZQD-UHFFFAOYSA-N 0 0 465.000 0.762 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000553901623 1069466839 /nfs/dbraw/zinc/46/68/39/1069466839.db2.gz PNIXWOZYYFUHMR-UHFFFAOYSA-N 0 0 465.557 0.792 20 30 JCEDRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 ZINC000553901853 1070137041 /nfs/dbraw/zinc/13/70/41/1070137041.db2.gz MZWNFYAGWHMCMM-UHFFFAOYSA-N 0 0 491.595 0.801 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCc1ccccn1 ZINC000554869797 1070164802 /nfs/dbraw/zinc/16/48/02/1070164802.db2.gz VYOCXFOIHCLAGA-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3OC)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000554871539 1070164670 /nfs/dbraw/zinc/16/46/70/1070164670.db2.gz VIWQSWOTALOGDU-UHFFFAOYSA-N 0 0 495.561 0.494 20 30 JCEDRN CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000555379166 1070181008 /nfs/dbraw/zinc/18/10/08/1070181008.db2.gz QONQNWKFLDGAJB-UHFFFAOYSA-N 0 0 476.580 0.584 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000555544061 1070188950 /nfs/dbraw/zinc/18/89/50/1070188950.db2.gz MAMMULWYLSDZQL-UHFFFAOYSA-N 0 0 463.475 0.992 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000555735396 1070196300 /nfs/dbraw/zinc/19/63/00/1070196300.db2.gz JXUVXLSMKCOFSC-UHFFFAOYSA-N 0 0 482.484 0.756 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)c1 ZINC000555735777 1070197380 /nfs/dbraw/zinc/19/73/80/1070197380.db2.gz WSRXXFJYBAVKCG-UHFFFAOYSA-N 0 0 478.530 0.562 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000555735859 1070196344 /nfs/dbraw/zinc/19/63/44/1070196344.db2.gz OSLQRASWJLYZQR-UHFFFAOYSA-N 0 0 452.458 0.689 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1C ZINC000555736167 1069541507 /nfs/dbraw/zinc/54/15/07/1069541507.db2.gz QOEMMOHKOGOUOT-UHFFFAOYSA-N 0 0 471.535 0.292 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000556240224 1068497991 /nfs/dbraw/zinc/49/79/91/1068497991.db2.gz WWPFCYMRKVWHLH-UHFFFAOYSA-N 0 0 456.568 0.278 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000556482350 1068627790 /nfs/dbraw/zinc/62/77/90/1068627790.db2.gz MYQHJDYXHMBLSK-UHFFFAOYSA-N 0 0 481.534 0.922 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000556556960 1068674880 /nfs/dbraw/zinc/67/48/80/1068674880.db2.gz FNEOPBOZNSAHFU-DLBZAZTESA-N 0 0 455.558 0.687 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000556556961 1068675002 /nfs/dbraw/zinc/67/50/02/1068675002.db2.gz FNEOPBOZNSAHFU-IAGOWNOFSA-N 0 0 455.558 0.687 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000556556962 1068674778 /nfs/dbraw/zinc/67/47/78/1068674778.db2.gz FNEOPBOZNSAHFU-IRXDYDNUSA-N 0 0 455.558 0.687 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000556556963 1068675021 /nfs/dbraw/zinc/67/50/21/1068675021.db2.gz FNEOPBOZNSAHFU-SJORKVTESA-N 0 0 455.558 0.687 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1=O ZINC000556940625 1068796837 /nfs/dbraw/zinc/79/68/37/1068796837.db2.gz AIXSPUWFPSWLLL-UHFFFAOYSA-N 0 0 457.443 0.678 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OC)cc3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000556963844 1068801731 /nfs/dbraw/zinc/80/17/31/1068801731.db2.gz MBSVMUFSSZBSCW-UHFFFAOYSA-N 0 0 467.551 0.780 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)C1=O ZINC000556981394 1068804998 /nfs/dbraw/zinc/80/49/98/1068804998.db2.gz DILFZLPJMABEBK-UHFFFAOYSA-N 0 0 452.471 0.666 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000557457365 1070415140 /nfs/dbraw/zinc/41/51/40/1070415140.db2.gz OAUMFBYHYDOMSX-UHFFFAOYSA-N 0 0 474.533 0.646 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000557577167 1070416739 /nfs/dbraw/zinc/41/67/39/1070416739.db2.gz RYZLOJAFWLEQCE-UHFFFAOYSA-N 0 0 468.582 0.868 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000557624495 1070416721 /nfs/dbraw/zinc/41/67/21/1070416721.db2.gz OLALRMRXHBRSRB-UHFFFAOYSA-N 0 0 495.583 0.939 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3nccs3)CC2)CC1 ZINC000557646918 1070418635 /nfs/dbraw/zinc/41/86/35/1070418635.db2.gz WYHSDZGFNQKSIZ-UHFFFAOYSA-N 0 0 460.585 0.670 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000557702079 1070419471 /nfs/dbraw/zinc/41/94/71/1070419471.db2.gz PESKAAYXDBMCKM-UHFFFAOYSA-N 0 0 484.622 0.515 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCCC(=O)OC ZINC000557704424 1070419235 /nfs/dbraw/zinc/41/92/35/1070419235.db2.gz XTBHSDZZGUTMHA-UHFFFAOYSA-N 0 0 481.933 0.921 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ccc1F ZINC000557731950 1070420357 /nfs/dbraw/zinc/42/03/57/1070420357.db2.gz YYNDADNJJSUGIQ-UHFFFAOYSA-N 0 0 487.469 0.500 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCSC)c2=O)cc1 ZINC000557746593 1070420324 /nfs/dbraw/zinc/42/03/24/1070420324.db2.gz LOLNUPQQNAXWLE-UHFFFAOYSA-N 0 0 487.603 0.811 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000558217665 1070425762 /nfs/dbraw/zinc/42/57/62/1070425762.db2.gz QNDQZHGNEXFTCU-UHFFFAOYSA-N 0 0 464.525 0.118 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1 ZINC000558610877 1070429453 /nfs/dbraw/zinc/42/94/53/1070429453.db2.gz LVCBGFSJXAQEHS-UHFFFAOYSA-N 0 0 463.515 0.806 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000558647513 1070429349 /nfs/dbraw/zinc/42/93/49/1070429349.db2.gz PZGIBOFMDSPGDM-UHFFFAOYSA-N 0 0 458.559 0.753 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000558647563 1070429496 /nfs/dbraw/zinc/42/94/96/1070429496.db2.gz YJRWWIFKFPKZTD-UHFFFAOYSA-N 0 0 454.596 0.922 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000558750683 1070430572 /nfs/dbraw/zinc/43/05/72/1070430572.db2.gz NSSBKMRXXOFZSK-UHFFFAOYSA-N 0 0 468.495 0.289 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000558923376 1070433651 /nfs/dbraw/zinc/43/36/51/1070433651.db2.gz ZRWWANLBCLPBIB-UHFFFAOYSA-N 0 0 484.484 0.542 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000559254869 1070441843 /nfs/dbraw/zinc/44/18/43/1070441843.db2.gz SMSRZZVSVWNPTQ-UHFFFAOYSA-N 0 0 482.518 0.577 20 30 JCEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000559255702 1070441824 /nfs/dbraw/zinc/44/18/24/1070441824.db2.gz WVXJWQRMZMYBNX-UHFFFAOYSA-N 0 0 476.515 0.841 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000559313600 1070443419 /nfs/dbraw/zinc/44/34/19/1070443419.db2.gz ZBVMJQFFNZZPGF-UHFFFAOYSA-N 0 0 462.553 0.678 20 30 JCEDRN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000559314784 1070443315 /nfs/dbraw/zinc/44/33/15/1070443315.db2.gz XMRJXFTXNKPNOO-UHFFFAOYSA-N 0 0 490.563 0.572 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc(C)c1OC(F)F ZINC000559445213 1070447820 /nfs/dbraw/zinc/44/78/20/1070447820.db2.gz VCXLMSPIUHXIMU-UHFFFAOYSA-N 0 0 476.505 0.739 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O ZINC000559447284 1070447806 /nfs/dbraw/zinc/44/78/06/1070447806.db2.gz LGPHPIHEHIHEPN-UHFFFAOYSA-N 0 0 464.525 0.095 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000559447876 1070447881 /nfs/dbraw/zinc/44/78/81/1070447881.db2.gz STSJCPLBNXNEGC-UHFFFAOYSA-N 0 0 461.565 0.307 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000559448596 1070447872 /nfs/dbraw/zinc/44/78/72/1070447872.db2.gz ZMEWIAMFSYFRFP-UHFFFAOYSA-N 0 0 451.545 0.716 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1cccnc1 ZINC000559972387 1070451832 /nfs/dbraw/zinc/45/18/32/1070451832.db2.gz CRDANKBCRQOXPI-UHFFFAOYSA-N 0 0 476.558 0.748 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000560085011 1070452444 /nfs/dbraw/zinc/45/24/44/1070452444.db2.gz VBIYKPCXYRAVDO-UHFFFAOYSA-N 0 0 488.591 0.858 20 30 JCEDRN CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000560147080 1070453546 /nfs/dbraw/zinc/45/35/46/1070453546.db2.gz KIRRKCDYEAGTAW-UHFFFAOYSA-N 0 0 469.523 0.732 20 30 JCEDRN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000560158530 1070453637 /nfs/dbraw/zinc/45/36/37/1070453637.db2.gz WGQSWFQNPFOFAN-UHFFFAOYSA-N 0 0 455.496 0.988 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC000560276446 1070455121 /nfs/dbraw/zinc/45/51/21/1070455121.db2.gz DXHGPIOKYGPFPU-UHFFFAOYSA-N 0 0 459.553 0.715 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)CC1 ZINC000560552264 1070464594 /nfs/dbraw/zinc/46/45/94/1070464594.db2.gz MXIKDRYGHMGGQE-UHFFFAOYSA-N 0 0 497.581 0.177 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000560641400 1070466313 /nfs/dbraw/zinc/46/63/13/1070466313.db2.gz YTKUOWWTJSEPRC-UHFFFAOYSA-N 0 0 464.525 0.925 20 30 JCEDRN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000560857420 1070467883 /nfs/dbraw/zinc/46/78/83/1070467883.db2.gz FVJGWZUYTJHWNO-UHFFFAOYSA-N 0 0 464.569 0.981 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 ZINC000560894917 1070468728 /nfs/dbraw/zinc/46/87/28/1070468728.db2.gz ZDCHUXSQWYISRR-UHFFFAOYSA-N 0 0 492.579 0.315 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CC1 ZINC000561105607 1070469511 /nfs/dbraw/zinc/46/95/11/1070469511.db2.gz DDTSPNWYVDAADA-UHFFFAOYSA-N 0 0 451.593 0.644 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000561105950 1070469408 /nfs/dbraw/zinc/46/94/08/1070469408.db2.gz GAKBLNJNWMEDER-UHFFFAOYSA-N 0 0 451.593 0.847 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000561107106 1070469541 /nfs/dbraw/zinc/46/95/41/1070469541.db2.gz PBZYNFMYYYBXKC-UHFFFAOYSA-N 0 0 463.604 0.991 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000561127489 1070469606 /nfs/dbraw/zinc/46/96/06/1070469606.db2.gz LRLWOUXDXITNJG-UHFFFAOYSA-N 0 0 451.549 0.695 20 30 JCEDRN N#Cc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000561198250 1070470340 /nfs/dbraw/zinc/47/03/40/1070470340.db2.gz ZZQYIBHTHVMWMT-UHFFFAOYSA-N 0 0 477.568 0.541 20 30 JCEDRN Cc1ccc(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1S(=O)(=O)NCC#N ZINC000561273276 1070471182 /nfs/dbraw/zinc/47/11/82/1070471182.db2.gz YBVBDOGJWBPRFH-NRFANRHFSA-N 0 0 455.496 0.782 20 30 JCEDRN Cc1ccc(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1S(=O)(=O)NCC#N ZINC000561273279 1070471216 /nfs/dbraw/zinc/47/12/16/1070471216.db2.gz YBVBDOGJWBPRFH-OAQYLSRUSA-N 0 0 455.496 0.782 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cs1 ZINC000561403743 1070472643 /nfs/dbraw/zinc/47/26/43/1070472643.db2.gz IEHHSJNVRXEZKY-UHFFFAOYSA-N 0 0 459.597 0.132 20 30 JCEDRN Cc1ccc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)cc1S(=O)(=O)NCC#N ZINC000563465989 1070481844 /nfs/dbraw/zinc/48/18/44/1070481844.db2.gz FOVZMYMAYABOLC-UHFFFAOYSA-N 0 0 467.511 0.957 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000563644055 1070483515 /nfs/dbraw/zinc/48/35/15/1070483515.db2.gz FLAFHZNYFXWIFY-UHFFFAOYSA-N 0 0 456.528 0.929 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc4c(c3)CCO4)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000563890317 1070484175 /nfs/dbraw/zinc/48/41/75/1070484175.db2.gz PNDAAXNCXKXIAS-UHFFFAOYSA-N 0 0 465.535 0.316 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)cc1 ZINC000563903680 1069712930 /nfs/dbraw/zinc/71/29/30/1069712930.db2.gz YHMLQZOGKIOELW-UHFFFAOYSA-N 0 0 475.914 0.782 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3cccc(C)c3)c2=O)cs1 ZINC000565439156 1070488758 /nfs/dbraw/zinc/48/87/58/1070488758.db2.gz DTJXKSGTSMFAIN-UHFFFAOYSA-N 0 0 495.630 0.924 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCN1CCOCC1 ZINC000565966247 1070489733 /nfs/dbraw/zinc/48/97/33/1070489733.db2.gz CUKNIEBRLJXFAU-UHFFFAOYSA-N 0 0 496.633 0.985 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 ZINC000567452557 1070494389 /nfs/dbraw/zinc/49/43/89/1070494389.db2.gz AUNOMDSPCXOJNV-UHFFFAOYSA-N 0 0 480.546 0.967 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2cccnc2)c1=O ZINC000568968335 1068061500 /nfs/dbraw/zinc/06/15/00/1068061500.db2.gz AWGAIBROWPXVOF-UHFFFAOYSA-N 0 0 476.558 0.918 20 30 JCEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)CC2)cc1 ZINC000569046996 1070497273 /nfs/dbraw/zinc/49/72/73/1070497273.db2.gz IEVLYOCFNRVMCG-GOSISDBHSA-N 0 0 454.443 0.273 20 30 JCEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)CC2)cc1 ZINC000569047010 1070498099 /nfs/dbraw/zinc/49/80/99/1070498099.db2.gz IEVLYOCFNRVMCG-SFHVURJKSA-N 0 0 454.443 0.273 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)C1=O ZINC000569754916 1067880347 /nfs/dbraw/zinc/88/03/47/1067880347.db2.gz WECRHNLVLCVRGJ-UHFFFAOYSA-N 0 0 460.487 0.333 20 30 JCEDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)c1 ZINC000570120283 1070500678 /nfs/dbraw/zinc/50/06/78/1070500678.db2.gz QTCHWLFUJMTSGZ-IBGZPJMESA-N 0 0 469.454 0.961 20 30 JCEDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)c1 ZINC000570120285 1067891137 /nfs/dbraw/zinc/89/11/37/1067891137.db2.gz QTCHWLFUJMTSGZ-LJQANCHMSA-N 0 0 469.454 0.961 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 ZINC000573703443 1070505492 /nfs/dbraw/zinc/50/54/92/1070505492.db2.gz KZMKJFKLDHJERI-INIZCTEOSA-N 0 0 461.490 0.729 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 ZINC000573703451 1070505545 /nfs/dbraw/zinc/50/55/45/1070505545.db2.gz KZMKJFKLDHJERI-MRXNPFEDSA-N 0 0 461.490 0.729 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000573820357 1070505335 /nfs/dbraw/zinc/50/53/35/1070505335.db2.gz RYJPFAVUMSUEHO-UHFFFAOYSA-N 0 0 466.610 0.082 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000573943729 1070505477 /nfs/dbraw/zinc/50/54/77/1070505477.db2.gz MKMPFMXJDARNOZ-FQEVSTJZSA-N 0 0 475.958 0.861 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000573943732 1070506246 /nfs/dbraw/zinc/50/62/46/1070506246.db2.gz MKMPFMXJDARNOZ-HXUWFJFHSA-N 0 0 475.958 0.861 20 30 JCEDRN COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O ZINC000576056327 1070508368 /nfs/dbraw/zinc/50/83/68/1070508368.db2.gz AHIVJGVNIQTZJW-UHFFFAOYSA-N 0 0 479.356 0.194 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000576059299 1069984598 /nfs/dbraw/zinc/98/45/98/1069984598.db2.gz ZVJASJKELKGAMP-UHFFFAOYSA-N 0 0 462.553 0.678 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC000577127196 1070510640 /nfs/dbraw/zinc/51/06/40/1070510640.db2.gz CYWQBTMXPJNYDG-UHFFFAOYSA-N 0 0 466.516 0.509 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000577303451 1070511247 /nfs/dbraw/zinc/51/12/47/1070511247.db2.gz NWWAQRPNPBUBBE-UHFFFAOYSA-N 0 0 459.553 0.715 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000577782000 1070513400 /nfs/dbraw/zinc/51/34/00/1070513400.db2.gz PQLFGZKELYEIDF-GOSISDBHSA-N 0 0 450.561 0.204 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000577782007 1070513308 /nfs/dbraw/zinc/51/33/08/1070513308.db2.gz PQLFGZKELYEIDF-SFHVURJKSA-N 0 0 450.561 0.204 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000578492516 1070514520 /nfs/dbraw/zinc/51/45/20/1070514520.db2.gz YSVBMFLOPKXYEY-UHFFFAOYSA-N 0 0 466.516 0.509 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O ZINC000578649209 1070514740 /nfs/dbraw/zinc/51/47/40/1070514740.db2.gz IBCNWJQOWITJBD-UHFFFAOYSA-N 0 0 450.467 0.272 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000579149766 1070515936 /nfs/dbraw/zinc/51/59/36/1070515936.db2.gz LBMICVAHEHQRGM-UHFFFAOYSA-N 0 0 466.516 0.509 20 30 JCEDRN C[C@@H](c1cccs1)n1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000579499074 1070515913 /nfs/dbraw/zinc/51/59/13/1070515913.db2.gz YVJSJKHEJVLYJT-KRWDZBQOSA-N 0 0 495.630 0.927 20 30 JCEDRN C[C@H](c1cccs1)n1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000579499075 1070516003 /nfs/dbraw/zinc/51/60/03/1070516003.db2.gz YVJSJKHEJVLYJT-QGZVFWFLSA-N 0 0 495.630 0.927 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)C1=O ZINC000581564365 1067770368 /nfs/dbraw/zinc/77/03/68/1067770368.db2.gz LSBHHMMKPCAFRQ-INIZCTEOSA-N 0 0 460.487 0.170 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)C1=O ZINC000581564366 1067770348 /nfs/dbraw/zinc/77/03/48/1067770348.db2.gz LSBHHMMKPCAFRQ-MRXNPFEDSA-N 0 0 460.487 0.170 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000581959434 1067909556 /nfs/dbraw/zinc/90/95/56/1067909556.db2.gz ORYMUAYLPQFQNT-UHFFFAOYSA-N 0 0 473.536 0.241 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CC(C(=O)N3CC(C)(C)c4cc(N5CCOCC5)ccc43)C2)n(C)c1=O ZINC000582133917 1067910192 /nfs/dbraw/zinc/91/01/92/1067910192.db2.gz UREQWMSEMKETTR-UHFFFAOYSA-N 0 0 478.553 0.553 20 30 JCEDRN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000583278843 1067845576 /nfs/dbraw/zinc/84/55/76/1067845576.db2.gz LXDVDZVMXZESFA-UHFFFAOYSA-N 0 0 490.563 0.572 20 30 JCEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3cc(S(=O)(=O)N(C)C)ccc3=O)CC2)cc1 ZINC000583284235 1067845567 /nfs/dbraw/zinc/84/55/67/1067845567.db2.gz UEJKLUZOKSNZBV-FQEVSTJZSA-N 0 0 473.555 0.516 20 30 JCEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cc(S(=O)(=O)N(C)C)ccc3=O)CC2)cc1 ZINC000583284236 1067845583 /nfs/dbraw/zinc/84/55/83/1067845583.db2.gz UEJKLUZOKSNZBV-HXUWFJFHSA-N 0 0 473.555 0.516 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(F)cc3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000583334375 1067845951 /nfs/dbraw/zinc/84/59/51/1067845951.db2.gz LLGUXIIGPLKQNA-UHFFFAOYSA-N 0 0 480.569 0.922 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(CCC#N)CCN2CCOCC2)cc1 ZINC000584366416 1067856674 /nfs/dbraw/zinc/85/66/74/1067856674.db2.gz JQCJEZGSQLQASP-UHFFFAOYSA-N 0 0 451.549 0.388 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCCN3CCCS3(=O)=O)n2c2ccccc2c1=O ZINC000585736268 1068068696 /nfs/dbraw/zinc/06/86/96/1068068696.db2.gz IPGWURALPAQKKD-UHFFFAOYSA-N 0 0 476.584 0.864 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C ZINC000586828039 1070435210 /nfs/dbraw/zinc/43/52/10/1070435210.db2.gz MLENZCZXHIBIHO-UHFFFAOYSA-N 0 0 489.619 0.910 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C ZINC000586828067 1070435231 /nfs/dbraw/zinc/43/52/31/1070435231.db2.gz QJIVFOGCZBUEEM-UHFFFAOYSA-N 0 0 475.592 0.520 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000586828076 1070435182 /nfs/dbraw/zinc/43/51/82/1070435182.db2.gz RJSODAPHXLSMTQ-UHFFFAOYSA-N 0 0 482.541 0.836 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1=O ZINC000588049200 1070453300 /nfs/dbraw/zinc/45/33/00/1070453300.db2.gz FBDMOABMVTWGMW-UHFFFAOYSA-N 0 0 451.277 0.662 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCNC(=O)c3cnccn3)n2c2ccccc2c1=O ZINC000588114892 1070456434 /nfs/dbraw/zinc/45/64/34/1070456434.db2.gz KUNKRXVZYLZWRP-UHFFFAOYSA-N 0 0 464.511 0.659 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000588116265 1070457842 /nfs/dbraw/zinc/45/78/42/1070457842.db2.gz PLHMHYCHERCDEP-UHFFFAOYSA-N 0 0 458.544 0.410 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000588156537 1070461726 /nfs/dbraw/zinc/46/17/26/1070461726.db2.gz AYRNZKLUGAPMFL-UHFFFAOYSA-N 0 0 485.591 0.457 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000588156571 1070461793 /nfs/dbraw/zinc/46/17/93/1070461793.db2.gz FGQHNQGCCJVDOY-UHFFFAOYSA-N 0 0 483.575 0.211 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000588156600 1070461741 /nfs/dbraw/zinc/46/17/41/1070461741.db2.gz IIEFRKXLRDRCED-UHFFFAOYSA-N 0 0 499.618 0.847 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000588156657 1070461704 /nfs/dbraw/zinc/46/17/04/1070461704.db2.gz MYYWALALRUXIST-UHFFFAOYSA-N 0 0 485.591 0.457 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000588156673 1070461781 /nfs/dbraw/zinc/46/17/81/1070461781.db2.gz OVGAMCLODKZLCK-UHFFFAOYSA-N 0 0 480.571 0.873 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000588156714 1070461721 /nfs/dbraw/zinc/46/17/21/1070461721.db2.gz SZCLMPKIWHMZIN-UHFFFAOYSA-N 0 0 474.589 0.790 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000588156783 1070461746 /nfs/dbraw/zinc/46/17/46/1070461746.db2.gz ZVUZLNVJLXJTOK-UHFFFAOYSA-N 0 0 468.560 0.729 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000588327554 1070481715 /nfs/dbraw/zinc/48/17/15/1070481715.db2.gz BUGBPLQCLYDOKW-UHFFFAOYSA-N 0 0 476.515 0.400 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1=O ZINC000588784268 1070498967 /nfs/dbraw/zinc/49/89/67/1070498967.db2.gz GWVCUFIRQRBGEG-UHFFFAOYSA-N 0 0 459.547 0.185 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)C1=O ZINC000588818082 1070501970 /nfs/dbraw/zinc/50/19/70/1070501970.db2.gz KNQMXXKXNXMWLK-UHFFFAOYSA-N 0 0 450.455 0.996 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)c1 ZINC000589156819 1070513584 /nfs/dbraw/zinc/51/35/84/1070513584.db2.gz AJSKFZXGPPEDCV-UHFFFAOYSA-N 0 0 493.541 0.815 20 30 JCEDRN N#CCCCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c1 ZINC000589156872 1070513783 /nfs/dbraw/zinc/51/37/83/1070513783.db2.gz CGTYKMDPHCJEEU-UHFFFAOYSA-N 0 0 450.520 0.950 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)c1 ZINC000589156935 1070513643 /nfs/dbraw/zinc/51/36/43/1070513643.db2.gz FASWMTHPGQNBTB-UHFFFAOYSA-N 0 0 463.515 0.806 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(N)=O)c2=O)cc1OC ZINC000589156959 1070514177 /nfs/dbraw/zinc/51/41/77/1070514177.db2.gz FTDHBUCFAQEQCR-CYBMUJFWSA-N 0 0 473.551 0.929 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(N)=O)c2=O)cc1OC ZINC000589156960 1070514260 /nfs/dbraw/zinc/51/42/60/1070514260.db2.gz FTDHBUCFAQEQCR-ZDUSSCGKSA-N 0 0 473.551 0.929 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1OC ZINC000589156963 1070514270 /nfs/dbraw/zinc/51/42/70/1070514270.db2.gz FYXTXLNYDJFQOV-UHFFFAOYSA-N 0 0 471.535 0.683 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)c1 ZINC000589156969 1070514288 /nfs/dbraw/zinc/51/42/88/1070514288.db2.gz GCUMBLYGAIUULG-UHFFFAOYSA-N 0 0 481.505 0.945 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)c1 ZINC000589156993 1070514278 /nfs/dbraw/zinc/51/42/78/1070514278.db2.gz HXRDCESFIVNPGZ-UHFFFAOYSA-N 0 0 481.505 0.945 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O ZINC000589157017 1070514223 /nfs/dbraw/zinc/51/42/23/1070514223.db2.gz BLBNPPDLPSBZTA-UHFFFAOYSA-N 0 0 475.482 0.445 20 30 JCEDRN N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000589157019 1070514166 /nfs/dbraw/zinc/51/41/66/1070514166.db2.gz BQXOAKLIIKLWJM-UHFFFAOYSA-N 0 0 492.467 0.640 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000589157036 1070514243 /nfs/dbraw/zinc/51/42/43/1070514243.db2.gz DXQAYTRROINPPH-UHFFFAOYSA-N 0 0 497.554 0.193 20 30 JCEDRN Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000589157038 1070514207 /nfs/dbraw/zinc/51/42/07/1070514207.db2.gz FEGGCHDITRYDCQ-UHFFFAOYSA-N 0 0 494.533 0.871 20 30 JCEDRN Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000589157039 1070514253 /nfs/dbraw/zinc/51/42/53/1070514253.db2.gz FLDSQNXFKFSJHE-UHFFFAOYSA-N 0 0 487.584 0.555 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc1 ZINC000589157043 1070514214 /nfs/dbraw/zinc/51/42/14/1070514214.db2.gz GBBGPHRDHHVRTG-UHFFFAOYSA-N 0 0 485.518 0.324 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1OC ZINC000589157122 1070514303 /nfs/dbraw/zinc/51/43/03/1070514303.db2.gz KRCWBRORRRSKNC-UHFFFAOYSA-N 0 0 473.551 0.929 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cc(Cl)cc(Cl)c2)n(CC(N)=O)c1=O ZINC000589157171 1070514186 /nfs/dbraw/zinc/51/41/86/1070514186.db2.gz OWQXVMJIRJYFNA-UHFFFAOYSA-N 0 0 462.318 0.821 20 30 JCEDRN N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000589157204 1070514231 /nfs/dbraw/zinc/51/42/31/1070514231.db2.gz LZBJOCFEPMRVIS-UHFFFAOYSA-N 0 0 474.477 0.501 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000589157226 1070514314 /nfs/dbraw/zinc/51/43/14/1070514314.db2.gz NWVFAISODKNTDD-UHFFFAOYSA-N 0 0 468.514 0.623 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000589157257 1070514333 /nfs/dbraw/zinc/51/43/33/1070514333.db2.gz RHKWFCRAHNLZFI-UHFFFAOYSA-N 0 0 461.565 0.307 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000589157269 1070514295 /nfs/dbraw/zinc/51/42/95/1070514295.db2.gz UPPXCUHMYKLQAE-UHFFFAOYSA-N 0 0 454.487 0.233 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000589157274 1070514239 /nfs/dbraw/zinc/51/42/39/1070514239.db2.gz UXZXOOCPDSTBPE-GFCCVEGCSA-N 0 0 454.487 0.233 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000589157275 1070514197 /nfs/dbraw/zinc/51/41/97/1070514197.db2.gz UXZXOOCPDSTBPE-LBPRGKRZSA-N 0 0 454.487 0.233 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1 ZINC000589157501 1070513675 /nfs/dbraw/zinc/51/36/75/1070513675.db2.gz YXRPPVFHPXEIDP-UHFFFAOYSA-N 0 0 467.528 0.185 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc1 ZINC000589157509 1070514321 /nfs/dbraw/zinc/51/43/21/1070514321.db2.gz ZOOONPMFNGECRB-UHFFFAOYSA-N 0 0 485.518 0.324 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000589157612 1070513671 /nfs/dbraw/zinc/51/36/71/1070513671.db2.gz HLLDBLQYZUWRGN-UHFFFAOYSA-N 0 0 461.927 0.938 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000589157641 1070513724 /nfs/dbraw/zinc/51/37/24/1070513724.db2.gz JAHNKHWCNNCVIF-LLVKDONJSA-N 0 0 461.927 0.938 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000589157643 1070513553 /nfs/dbraw/zinc/51/35/53/1070513553.db2.gz JAHNKHWCNNCVIF-NSHDSACASA-N 0 0 461.927 0.938 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000589157710 1070513691 /nfs/dbraw/zinc/51/36/91/1070513691.db2.gz LQAAQHWQALGXCB-UHFFFAOYSA-N 0 0 461.927 0.938 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O ZINC000589157966 1070514829 /nfs/dbraw/zinc/51/48/29/1070514829.db2.gz OHHQMAYPUWWMMQ-UHFFFAOYSA-N 0 0 469.425 0.788 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000589158096 1070514759 /nfs/dbraw/zinc/51/47/59/1070514759.db2.gz YLFHVUPZKPQNDR-UHFFFAOYSA-N 0 0 459.911 0.692 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)ccc1OC(F)F ZINC000589158670 1070514869 /nfs/dbraw/zinc/51/48/69/1070514869.db2.gz IUSSLZLGZCWPAT-UHFFFAOYSA-N 0 0 463.462 0.877 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc(OC)c1OC ZINC000589158797 1070514686 /nfs/dbraw/zinc/51/46/86/1070514686.db2.gz ACXUEVAXXRNIJR-UHFFFAOYSA-N 0 0 497.504 0.946 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(N)=O ZINC000589158878 1070514844 /nfs/dbraw/zinc/51/48/44/1070514844.db2.gz FPZUULCQVSVELB-GFCCVEGCSA-N 0 0 459.524 0.539 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(N)=O ZINC000589158880 1070514812 /nfs/dbraw/zinc/51/48/12/1070514812.db2.gz FPZUULCQVSVELB-LBPRGKRZSA-N 0 0 459.524 0.539 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CC(N)=O ZINC000589158900 1070514991 /nfs/dbraw/zinc/51/49/91/1070514991.db2.gz BJAFLXVTAOIPAJ-JTQLQIEISA-N 0 0 494.367 0.990 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CC(N)=O ZINC000589158902 1070515503 /nfs/dbraw/zinc/51/55/03/1070515503.db2.gz BJAFLXVTAOIPAJ-SNVBAGLBSA-N 0 0 494.367 0.990 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cc(OC)c1OC ZINC000589158972 1070515418 /nfs/dbraw/zinc/51/54/18/1070515418.db2.gz ICDRMPXJWWSEIS-UHFFFAOYSA-N 0 0 473.551 0.929 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc(OC)c1OC ZINC000589158977 1070515562 /nfs/dbraw/zinc/51/55/62/1070515562.db2.gz IDPPFOWLRIIIOV-UHFFFAOYSA-N 0 0 479.514 0.807 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc(Br)c1O ZINC000589159004 1070514936 /nfs/dbraw/zinc/51/49/36/1070514936.db2.gz FFMHJCIYBXBKDR-UHFFFAOYSA-N 0 0 492.351 0.744 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O ZINC000589159016 1070514980 /nfs/dbraw/zinc/51/49/80/1070514980.db2.gz UUKIOBUBOWFKMR-UHFFFAOYSA-N 0 0 469.425 0.788 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CC(N)=O)c1=O ZINC000589159034 1070514967 /nfs/dbraw/zinc/51/49/67/1070514967.db2.gz GAIVJZFWYLSYTR-UHFFFAOYSA-N 0 0 463.471 0.518 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)ccc1OC(F)F ZINC000589159082 1070314603 /nfs/dbraw/zinc/31/46/03/1070314603.db2.gz XDMMNFAAJCPRME-UHFFFAOYSA-N 0 0 451.451 0.733 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)c1 ZINC000589159114 1070514854 /nfs/dbraw/zinc/51/48/54/1070514854.db2.gz YMCBHDJXZQQFRA-UHFFFAOYSA-N 0 0 477.498 0.908 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)c1 ZINC000589159222 1070514733 /nfs/dbraw/zinc/51/47/33/1070514733.db2.gz JVQLSWYKODYXRM-UHFFFAOYSA-N 0 0 463.471 0.518 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O ZINC000589159225 1070514901 /nfs/dbraw/zinc/51/49/01/1070514901.db2.gz JYVUCROWERYLMW-UHFFFAOYSA-N 0 0 451.435 0.649 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc(Br)c1O ZINC000589159259 1070514911 /nfs/dbraw/zinc/51/49/11/1070514911.db2.gz KORSTHJSGFXNQM-UHFFFAOYSA-N 0 0 494.367 0.990 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc(OC)c1OC ZINC000589159304 1070514888 /nfs/dbraw/zinc/51/48/88/1070514888.db2.gz NHNRMSGBKYICKF-UHFFFAOYSA-N 0 0 457.508 0.293 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O ZINC000589159316 1070514721 /nfs/dbraw/zinc/51/47/21/1070514721.db2.gz NPOPXEMCFJUACB-UHFFFAOYSA-N 0 0 451.435 0.649 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc(Br)c1O ZINC000589159322 1070514784 /nfs/dbraw/zinc/51/47/84/1070514784.db2.gz NPXZKIBHSHVMLX-UHFFFAOYSA-N 0 0 494.367 0.990 20 30 JCEDRN Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCNS(C)(=O)=O)c1 ZINC000589159491 1070514747 /nfs/dbraw/zinc/51/47/47/1070514747.db2.gz CBNGRIZNYQPEDJ-UHFFFAOYSA-N 0 0 485.591 0.195 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000589159538 1070514707 /nfs/dbraw/zinc/51/47/07/1070514707.db2.gz DNJIPJXPVYKARC-UHFFFAOYSA-N 0 0 489.619 0.957 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O ZINC000589159603 1070514771 /nfs/dbraw/zinc/51/47/71/1070514771.db2.gz WCXJXVJOBJBAKP-UHFFFAOYSA-N 0 0 451.435 0.649 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(N)=O ZINC000589159853 1070515534 /nfs/dbraw/zinc/51/55/34/1070515534.db2.gz WCNLPVQEHFKHHA-UHFFFAOYSA-N 0 0 473.551 0.929 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000589159858 1070515438 /nfs/dbraw/zinc/51/54/38/1070515438.db2.gz JOWDKIWMHLDUPR-UHFFFAOYSA-N 0 0 477.608 0.813 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1 ZINC000589159987 1070517136 /nfs/dbraw/zinc/51/71/36/1070517136.db2.gz WNGJJLGXAJYDSL-UHFFFAOYSA-N 0 0 463.471 0.518 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000589160082 1070516429 /nfs/dbraw/zinc/51/64/29/1070516429.db2.gz AFMZHVPZRLHIMM-UHFFFAOYSA-N 0 0 477.608 0.894 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)C1CCC1 ZINC000589160107 1070516551 /nfs/dbraw/zinc/51/65/51/1070516551.db2.gz AXZLSGSAORVSOU-UHFFFAOYSA-N 0 0 465.984 0.985 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O ZINC000589160117 1070516523 /nfs/dbraw/zinc/51/65/23/1070516523.db2.gz BKJBQHFTYSBDGC-GFCCVEGCSA-N 0 0 469.535 0.855 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O ZINC000589160121 1070516465 /nfs/dbraw/zinc/51/64/65/1070516465.db2.gz BKJBQHFTYSBDGC-LBPRGKRZSA-N 0 0 469.535 0.855 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O ZINC000589160128 1070516533 /nfs/dbraw/zinc/51/65/33/1070516533.db2.gz BXJLKKZBOMQTCY-CYBMUJFWSA-N 0 0 451.545 0.716 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O ZINC000589160131 1070516965 /nfs/dbraw/zinc/51/69/65/1070516965.db2.gz BXJLKKZBOMQTCY-ZDUSSCGKSA-N 0 0 451.545 0.716 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O ZINC000589160138 1070517004 /nfs/dbraw/zinc/51/70/04/1070517004.db2.gz CMQGCBLTPUMCIB-UHFFFAOYSA-N 0 0 460.002 0.902 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O ZINC000589160143 1070516873 /nfs/dbraw/zinc/51/68/73/1070516873.db2.gz CUSVIBLHTHMLIZ-UHFFFAOYSA-N 0 0 469.535 0.855 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589160144 1070517041 /nfs/dbraw/zinc/51/70/41/1070517041.db2.gz DEGXMGNVLFQZNB-UHFFFAOYSA-N 0 0 453.973 0.841 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O ZINC000589160177 1070516375 /nfs/dbraw/zinc/51/63/75/1070516375.db2.gz GBDOMUHKAGXCEP-UHFFFAOYSA-N 0 0 470.576 0.735 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c(C)c1 ZINC000589160199 1070516502 /nfs/dbraw/zinc/51/65/02/1070516502.db2.gz HEQWOCNOIJCKNS-UHFFFAOYSA-N 0 0 459.593 0.948 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O ZINC000589160208 1070516419 /nfs/dbraw/zinc/51/64/19/1070516419.db2.gz HKZPSKFOHVWMBF-UHFFFAOYSA-N 0 0 451.545 0.716 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)C1CCC1 ZINC000589160211 1070516358 /nfs/dbraw/zinc/51/63/58/1070516358.db2.gz BJRCMAWLQNSSOY-UHFFFAOYSA-N 0 0 465.984 0.985 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)C1CCC1 ZINC000589160215 1070516510 /nfs/dbraw/zinc/51/65/10/1070516510.db2.gz HUTMZPOATJIXBE-UHFFFAOYSA-N 0 0 467.519 0.609 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000589160224 1070516491 /nfs/dbraw/zinc/51/64/91/1070516491.db2.gz CBCDVXMLGVDFEK-UHFFFAOYSA-N 0 0 471.535 0.984 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589160235 1070516560 /nfs/dbraw/zinc/51/65/60/1070516560.db2.gz CHNXIKZZEMGQFA-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589160242 1070516444 /nfs/dbraw/zinc/51/64/44/1070516444.db2.gz IMGPIVYNJMTRML-AWEZNQCLSA-N 0 0 477.608 0.894 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589160245 1070516579 /nfs/dbraw/zinc/51/65/79/1070516579.db2.gz IMGPIVYNJMTRML-CQSZACIVSA-N 0 0 477.608 0.894 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589160247 1070516567 /nfs/dbraw/zinc/51/65/67/1070516567.db2.gz INLAFXZRVNEJJI-HNNXBMFYSA-N 0 0 477.608 0.976 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589160249 1070516478 /nfs/dbraw/zinc/51/64/78/1070516478.db2.gz INLAFXZRVNEJJI-OAHLLOKOSA-N 0 0 477.608 0.976 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000589160279 1070516546 /nfs/dbraw/zinc/51/65/46/1070516546.db2.gz DZYWRFCVLFWAAG-UHFFFAOYSA-N 0 0 485.534 0.789 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1F ZINC000589160280 1070516392 /nfs/dbraw/zinc/51/63/92/1070516392.db2.gz PAQMTUPOUUEXTP-UHFFFAOYSA-N 0 0 481.571 0.725 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)C1CCC1 ZINC000589160286 1070516572 /nfs/dbraw/zinc/51/65/72/1070516572.db2.gz FGIGAQDMZUHBDK-UHFFFAOYSA-N 0 0 497.545 0.933 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)c1ccccc1F ZINC000589160297 1070516452 /nfs/dbraw/zinc/51/64/52/1070516452.db2.gz FZBPJYBLRFQSLO-UHFFFAOYSA-N 0 0 472.523 0.379 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589160316 1070515865 /nfs/dbraw/zinc/51/58/65/1070515865.db2.gz GTINWKKOBIFADK-AWEZNQCLSA-N 0 0 463.581 0.586 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589160317 1070516019 /nfs/dbraw/zinc/51/60/19/1070516019.db2.gz GTINWKKOBIFADK-CQSZACIVSA-N 0 0 463.581 0.586 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589160322 1070516060 /nfs/dbraw/zinc/51/60/60/1070516060.db2.gz GZYGTYYXBCZRDH-UHFFFAOYSA-N 0 0 483.571 0.854 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000589160333 1070516039 /nfs/dbraw/zinc/51/60/39/1070516039.db2.gz HEWPQXINFHFMKD-UHFFFAOYSA-N 0 0 465.622 0.909 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)c1cccc(Cl)c1 ZINC000589160349 1070515932 /nfs/dbraw/zinc/51/59/32/1070515932.db2.gz HUJOMVHHHLWNGX-UHFFFAOYSA-N 0 0 488.978 0.893 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589160356 1070516110 /nfs/dbraw/zinc/51/61/10/1070516110.db2.gz QUHJOQRXGNBPTL-UHFFFAOYSA-N 0 0 477.608 0.974 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(Cl)c2)n(CCNS(C)(=O)=O)c1=O ZINC000589160360 1070515886 /nfs/dbraw/zinc/51/58/86/1070515886.db2.gz RAZKCSDARHHMAX-UHFFFAOYSA-N 0 0 491.982 0.232 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1F ZINC000589160376 1070516031 /nfs/dbraw/zinc/51/60/31/1070516031.db2.gz RUMWWRYMWWIMLB-UHFFFAOYSA-N 0 0 481.571 0.725 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000589160530 1070515955 /nfs/dbraw/zinc/51/59/55/1070515955.db2.gz IHPNLFCNVADTKN-UHFFFAOYSA-N 0 0 453.973 0.841 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589160547 1070515945 /nfs/dbraw/zinc/51/59/45/1070515945.db2.gz WDORUGPMZURTQD-UHFFFAOYSA-N 0 0 493.607 0.212 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O ZINC000589160570 1070515917 /nfs/dbraw/zinc/51/59/17/1070515917.db2.gz JEJGAEIZWNNYOI-UHFFFAOYSA-N 0 0 475.592 0.512 20 30 JCEDRN Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCNS(C)(=O)=O)c1 ZINC000589160582 1070515992 /nfs/dbraw/zinc/51/59/92/1070515992.db2.gz JURLZBPPBHWEHJ-UHFFFAOYSA-N 0 0 482.587 0.857 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)c1ccccc1F ZINC000589160596 1070515525 /nfs/dbraw/zinc/51/55/25/1070515525.db2.gz JYZQDISPAJVXFF-UHFFFAOYSA-N 0 0 471.535 0.984 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCNS(C)(=O)=O ZINC000589160599 1070515554 /nfs/dbraw/zinc/51/55/54/1070515554.db2.gz JZAOFCHSUIAWLN-UHFFFAOYSA-N 0 0 485.534 0.789 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c(Cl)c1 ZINC000589160612 1070515413 /nfs/dbraw/zinc/51/54/13/1070515413.db2.gz JTIOEGLYAWNHAX-UHFFFAOYSA-N 0 0 483.999 0.849 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCNS(C)(=O)=O)c1=O ZINC000589160629 1070515544 /nfs/dbraw/zinc/51/55/44/1070515544.db2.gz KCUPCRNZEFKOBS-UHFFFAOYSA-N 0 0 461.565 0.340 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1F ZINC000589160633 1070515486 /nfs/dbraw/zinc/51/54/86/1070515486.db2.gz ZOWHMPOQTINSLA-UHFFFAOYSA-N 0 0 467.544 0.335 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCNS(C)(=O)=O ZINC000589160645 1070515450 /nfs/dbraw/zinc/51/54/50/1070515450.db2.gz KIHPIYSEFCAFPP-UHFFFAOYSA-N 0 0 498.424 0.950 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589160665 1070515904 /nfs/dbraw/zinc/51/59/04/1070515904.db2.gz LTSQRGXIBURJAR-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCNS(C)(=O)=O ZINC000589160676 1070516084 /nfs/dbraw/zinc/51/60/84/1070516084.db2.gz LPKCMCTYYCOCCL-GFCCVEGCSA-N 0 0 453.611 0.947 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCNS(C)(=O)=O ZINC000589160682 1070516074 /nfs/dbraw/zinc/51/60/74/1070516074.db2.gz LPKCMCTYYCOCCL-LBPRGKRZSA-N 0 0 453.611 0.947 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589160708 1070516050 /nfs/dbraw/zinc/51/60/50/1070516050.db2.gz LZYZQFXNVKRFPQ-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000589160714 1070516097 /nfs/dbraw/zinc/51/60/97/1070516097.db2.gz MCWRRTTVKORXTH-UHFFFAOYSA-N 0 0 471.963 0.980 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCNS(C)(=O)=O ZINC000589160717 1070516006 /nfs/dbraw/zinc/51/60/06/1070516006.db2.gz MJRVYDQFWLHLLH-AWEZNQCLSA-N 0 0 463.581 0.586 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCNS(C)(=O)=O ZINC000589160720 1070515880 /nfs/dbraw/zinc/51/58/80/1070515880.db2.gz MJRVYDQFWLHLLH-CQSZACIVSA-N 0 0 463.581 0.586 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCNS(C)(=O)=O)c1=O ZINC000589160751 1070515493 /nfs/dbraw/zinc/51/54/93/1070515493.db2.gz MYQQGYNGXXZOFT-UHFFFAOYSA-N 0 0 463.556 0.779 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000589160755 1070515400 /nfs/dbraw/zinc/51/54/00/1070515400.db2.gz NBNVLBUKGGSPOM-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)c1ccccc1 ZINC000589160757 1070515468 /nfs/dbraw/zinc/51/54/68/1070515468.db2.gz NFDNJKTVRCYGDA-UHFFFAOYSA-N 0 0 471.535 0.984 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000589160759 1070515461 /nfs/dbraw/zinc/51/54/61/1070515461.db2.gz NHCZXERFLJRVOF-UHFFFAOYSA-N 0 0 453.611 0.947 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000589160774 1070515478 /nfs/dbraw/zinc/51/54/78/1070515478.db2.gz NZUSXWBDYWJKSB-CYBMUJFWSA-N 0 0 451.545 0.716 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCNS(C)(=O)=O)c1=O ZINC000589160775 1070515435 /nfs/dbraw/zinc/51/54/35/1070515435.db2.gz NRFMIHCBEGOFGC-UHFFFAOYSA-N 0 0 451.595 0.701 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000589160777 1070515427 /nfs/dbraw/zinc/51/54/27/1070515427.db2.gz NZUSXWBDYWJKSB-ZDUSSCGKSA-N 0 0 451.545 0.716 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)c1ccccc1 ZINC000589160791 1070515515 /nfs/dbraw/zinc/51/55/15/1070515515.db2.gz OCMMJACHAFMZCK-UHFFFAOYSA-N 0 0 495.582 0.780 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000589160794 1070515389 /nfs/dbraw/zinc/51/53/89/1070515389.db2.gz OFNAZBFZTLMDPC-UHFFFAOYSA-N 0 0 463.581 0.586 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000589160818 1070516987 /nfs/dbraw/zinc/51/69/87/1070516987.db2.gz OKKCWARINYJUAB-UHFFFAOYSA-N 0 0 459.574 0.906 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000589160880 1070516896 /nfs/dbraw/zinc/51/68/96/1070516896.db2.gz PHSBLNVMPPKGLJ-UHFFFAOYSA-N 0 0 471.535 0.984 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000589160892 1070518029 /nfs/dbraw/zinc/51/80/29/1070518029.db2.gz PJXZNUDIGJYHSH-UHFFFAOYSA-N 0 0 463.581 0.586 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589160901 1070517972 /nfs/dbraw/zinc/51/79/72/1070517972.db2.gz PNKQQVSGOCSHQO-UHFFFAOYSA-N 0 0 459.593 0.948 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)C1CCC1 ZINC000589160917 1070518000 /nfs/dbraw/zinc/51/80/00/1070518000.db2.gz PTFAUBZJUHNLKS-UHFFFAOYSA-N 0 0 473.576 0.266 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000589161121 1070517505 /nfs/dbraw/zinc/51/75/05/1070517505.db2.gz PAXAGJJEKDYGAL-UHFFFAOYSA-N 0 0 459.574 0.906 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589161150 1070517871 /nfs/dbraw/zinc/51/78/71/1070517871.db2.gz PLFQYYTYFHMRMG-UHFFFAOYSA-N 0 0 498.424 0.950 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O ZINC000589161162 1070517943 /nfs/dbraw/zinc/51/79/43/1070517943.db2.gz QBBVIZCHJMVHQU-UHFFFAOYSA-N 0 0 483.571 0.854 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000589161183 1070517412 /nfs/dbraw/zinc/51/74/12/1070517412.db2.gz QLQYYQRCGAVYKU-UHFFFAOYSA-N 0 0 453.973 0.841 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000589161191 1070517380 /nfs/dbraw/zinc/51/73/80/1070517380.db2.gz QYFYBPRXJCGAII-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000589161245 1070517627 /nfs/dbraw/zinc/51/76/27/1070517627.db2.gz RZKSYDBLPXPEQO-UHFFFAOYSA-N 0 0 454.533 0.240 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O ZINC000589161262 1070517592 /nfs/dbraw/zinc/51/75/92/1070517592.db2.gz SFNVTILPLOMXDQ-UHFFFAOYSA-N 0 0 489.600 0.915 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000589161276 1070517576 /nfs/dbraw/zinc/51/75/76/1070517576.db2.gz SRMXBNKTQSXISV-UHFFFAOYSA-N 0 0 453.545 0.845 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000589161284 1070517494 /nfs/dbraw/zinc/51/74/94/1070517494.db2.gz SZRKIIXZQXVIJC-AWEZNQCLSA-N 0 0 463.581 0.586 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000589161285 1070517609 /nfs/dbraw/zinc/51/76/09/1070517609.db2.gz SZRKIIXZQXVIJC-CQSZACIVSA-N 0 0 463.581 0.586 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)c1ccc2c(c1)OCO2 ZINC000589161295 1070517526 /nfs/dbraw/zinc/51/75/26/1070517526.db2.gz UCALJQFVYFRUMP-UHFFFAOYSA-N 0 0 497.554 0.574 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000589161299 1070517477 /nfs/dbraw/zinc/51/74/77/1070517477.db2.gz PXDXNXZIMXKDND-UHFFFAOYSA-N 0 0 451.545 0.635 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589161318 1070517658 /nfs/dbraw/zinc/51/76/58/1070517658.db2.gz QMSGEFQIBZAKIW-UHFFFAOYSA-N 0 0 455.508 0.465 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589161328 1070517072 /nfs/dbraw/zinc/51/70/72/1070517072.db2.gz RAQYQWOUGURHFZ-UHFFFAOYSA-N 0 0 471.963 0.980 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000589161343 1070517100 /nfs/dbraw/zinc/51/71/00/1070517100.db2.gz RPFACGDSSUSWKT-UHFFFAOYSA-N 0 0 459.593 0.894 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589161361 1070517023 /nfs/dbraw/zinc/51/70/23/1070517023.db2.gz RSLFCXCIYXBVBG-GFCCVEGCSA-N 0 0 469.535 0.855 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589161363 1070517124 /nfs/dbraw/zinc/51/71/24/1070517124.db2.gz RSLFCXCIYXBVBG-LBPRGKRZSA-N 0 0 469.535 0.855 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589161365 1070516838 /nfs/dbraw/zinc/51/68/38/1070516838.db2.gz RSQBRYIDWQWPBM-UHFFFAOYSA-N 0 0 463.581 0.586 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589161370 1070516859 /nfs/dbraw/zinc/51/68/59/1070516859.db2.gz RTBXCWRBWFHQOY-UHFFFAOYSA-N 0 0 469.535 0.855 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000589161383 1070516946 /nfs/dbraw/zinc/51/69/46/1070516946.db2.gz SBXVVDNGJXQDAM-UHFFFAOYSA-N 0 0 451.545 0.716 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000589161385 1070517543 /nfs/dbraw/zinc/51/75/43/1070517543.db2.gz SCFWUEPAWPTCIL-UHFFFAOYSA-N 0 0 451.595 0.701 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589161411 1070517354 /nfs/dbraw/zinc/51/73/54/1070517354.db2.gz SKKQWJYLEWWSRW-UHFFFAOYSA-N 0 0 475.592 0.730 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O ZINC000589161417 1070517368 /nfs/dbraw/zinc/51/73/68/1070517368.db2.gz SRHKYSPUXYNVGE-UHFFFAOYSA-N 0 0 455.508 0.465 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)C1CCC1 ZINC000589161423 1070517430 /nfs/dbraw/zinc/51/74/30/1070517430.db2.gz TUSFYGBKWKWQRK-UHFFFAOYSA-N 0 0 467.519 0.609 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O ZINC000589161425 1070517641 /nfs/dbraw/zinc/51/76/41/1070517641.db2.gz TYJILOJKNNDUID-UHFFFAOYSA-N 0 0 489.619 0.902 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCNS(C)(=O)=O ZINC000589161434 1070517393 /nfs/dbraw/zinc/51/73/93/1070517393.db2.gz UMNWHGWJTYFZAI-UHFFFAOYSA-N 0 0 461.565 0.122 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)C1CCC1 ZINC000589161435 1070517560 /nfs/dbraw/zinc/51/75/60/1070517560.db2.gz UPJZOKWYPWDNIY-UHFFFAOYSA-N 0 0 497.545 0.933 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000589161458 1070517460 /nfs/dbraw/zinc/51/74/60/1070517460.db2.gz WKXVETRUZOUZLJ-UHFFFAOYSA-N 0 0 477.608 0.894 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CCNS(C)(=O)=O ZINC000589161461 1070517445 /nfs/dbraw/zinc/51/74/45/1070517445.db2.gz WNKAKHWEMOMQOT-UHFFFAOYSA-N 0 0 497.982 0.569 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)C1CCC1 ZINC000589161476 1070516884 /nfs/dbraw/zinc/51/68/84/1070516884.db2.gz WRTRRHRHGKEBDS-UHFFFAOYSA-N 0 0 482.587 0.879 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)c1ccc(F)cc1 ZINC000589161625 1070516929 /nfs/dbraw/zinc/51/69/29/1070516929.db2.gz VYLDOHLUNWZTFK-UHFFFAOYSA-N 0 0 471.535 0.984 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000589161653 1070517084 /nfs/dbraw/zinc/51/70/84/1070517084.db2.gz WPEWIKIERFGBMU-UHFFFAOYSA-N 0 0 477.608 0.976 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000589161767 1070517053 /nfs/dbraw/zinc/51/70/53/1070517053.db2.gz YSXCXGMDYPMPTH-UHFFFAOYSA-N 0 0 498.424 0.950 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000589161801 1070516913 /nfs/dbraw/zinc/51/69/13/1070516913.db2.gz XOUFTUMKHRZSFN-UHFFFAOYSA-N 0 0 453.611 0.947 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000589161810 1070517153 /nfs/dbraw/zinc/51/71/53/1070517153.db2.gz ZTKNOQKTOUTDSW-UHFFFAOYSA-N 0 0 461.565 0.340 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000589161836 1070517930 /nfs/dbraw/zinc/51/79/30/1070517930.db2.gz YCWKNTLGRRIMKN-UHFFFAOYSA-N 0 0 463.581 0.586 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000589161883 1070517908 /nfs/dbraw/zinc/51/79/08/1070517908.db2.gz ZBYZXOKLFABFGF-UHFFFAOYSA-N 0 0 463.581 0.504 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCNS(C)(=O)=O ZINC000589161910 1070518016 /nfs/dbraw/zinc/51/80/16/1070518016.db2.gz ZVUNIUVDENPIBD-GFCCVEGCSA-N 0 0 453.611 0.947 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCNS(C)(=O)=O ZINC000589161912 1070517920 /nfs/dbraw/zinc/51/79/20/1070517920.db2.gz ZVUNIUVDENPIBD-LBPRGKRZSA-N 0 0 453.611 0.947 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000589755757 1070541513 /nfs/dbraw/zinc/54/15/13/1070541513.db2.gz AZTPYOIYXAMGNA-UHFFFAOYSA-N 0 0 470.595 0.588 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000589756669 1070541411 /nfs/dbraw/zinc/54/14/11/1070541411.db2.gz UAMZRPNVGLSYNH-UHFFFAOYSA-N 0 0 468.579 0.364 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1C ZINC000589758666 1070541579 /nfs/dbraw/zinc/54/15/79/1070541579.db2.gz DAKHVAQYXGJXTN-GOSISDBHSA-N 0 0 469.563 0.768 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1C ZINC000589758667 1070541332 /nfs/dbraw/zinc/54/13/32/1070541332.db2.gz DAKHVAQYXGJXTN-SFHVURJKSA-N 0 0 469.563 0.768 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1C ZINC000589759447 1070541916 /nfs/dbraw/zinc/54/19/16/1070541916.db2.gz PLPXANSEZPZZQY-UHFFFAOYSA-N 0 0 484.622 0.834 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000589759709 1070542031 /nfs/dbraw/zinc/54/20/31/1070542031.db2.gz ZPTXYBCSJHVBHH-KRWDZBQOSA-N 0 0 457.552 0.672 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000589759710 1070541939 /nfs/dbraw/zinc/54/19/39/1070541939.db2.gz ZPTXYBCSJHVBHH-QGZVFWFLSA-N 0 0 457.552 0.672 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000589760465 1070542187 /nfs/dbraw/zinc/54/21/87/1070542187.db2.gz ATGJYQZLADXWNX-UHFFFAOYSA-N 0 0 498.630 0.722 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1C ZINC000589760536 1070542039 /nfs/dbraw/zinc/54/20/39/1070542039.db2.gz NLAGSKWYSFMLLA-UHFFFAOYSA-N 0 0 468.579 0.341 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1C ZINC000589760581 1070541977 /nfs/dbraw/zinc/54/19/77/1070541977.db2.gz SNTBPLBQPATYEQ-UHFFFAOYSA-N 0 0 482.606 0.685 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000589760605 1070542011 /nfs/dbraw/zinc/54/20/11/1070542011.db2.gz WEZRQOBQUIYHJY-UHFFFAOYSA-N 0 0 468.579 0.364 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000589760613 1070542060 /nfs/dbraw/zinc/54/20/60/1070542060.db2.gz WROQMSVBGWZRJF-UHFFFAOYSA-N 0 0 454.577 0.706 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000589760615 1070541884 /nfs/dbraw/zinc/54/18/84/1070541884.db2.gz WVNHZYVAHXOQTL-UHFFFAOYSA-N 0 0 484.622 0.978 20 30 JCEDRN Cn1c(=O)c(=Cc2csc3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000589774716 1070541486 /nfs/dbraw/zinc/54/14/86/1070541486.db2.gz SDEQIZPGDKHOEH-UHFFFAOYSA-N 0 0 454.577 0.613 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000589775051 1070541388 /nfs/dbraw/zinc/54/13/88/1070541388.db2.gz XTACOOIVXURFOU-UHFFFAOYSA-N 0 0 484.622 0.978 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000589776221 1070541424 /nfs/dbraw/zinc/54/14/24/1070541424.db2.gz PJSWKXRMYAGDAQ-UHFFFAOYSA-N 0 0 456.568 0.198 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCCC(=O)OC ZINC000589776477 1070541354 /nfs/dbraw/zinc/54/13/54/1070541354.db2.gz AGDYFSIQMXOIOV-UHFFFAOYSA-N 0 0 455.536 0.985 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(OC)c(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000589776524 1070541498 /nfs/dbraw/zinc/54/14/98/1070541498.db2.gz IZVPEJNLYFSGSJ-UHFFFAOYSA-N 0 0 485.562 0.542 20 30 JCEDRN Cn1c(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C#N)c(=O)n(C)c1=O ZINC000589784993 1070546739 /nfs/dbraw/zinc/54/67/39/1070546739.db2.gz DQVIUULVPWXZLS-UHFFFAOYSA-N 0 0 458.327 0.773 20 30 JCEDRN Cn1c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000589785207 1070546764 /nfs/dbraw/zinc/54/67/64/1070546764.db2.gz RMHXSYJLJHFGMQ-UHFFFAOYSA-N 0 0 468.333 0.229 20 30 JCEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000589801992 1070545221 /nfs/dbraw/zinc/54/52/21/1070545221.db2.gz YGKOJSQLLCKIHJ-UHFFFAOYSA-N 0 0 452.533 0.301 20 30 JCEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 ZINC000589802088 1070545010 /nfs/dbraw/zinc/54/50/10/1070545010.db2.gz LWPYEMAFEMAAER-UHFFFAOYSA-N 0 0 465.576 0.216 20 30 JCEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000589802254 1070545207 /nfs/dbraw/zinc/54/52/07/1070545207.db2.gz VZMWSLBQAMTBHB-UHFFFAOYSA-N 0 0 476.511 0.805 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCN2CCOCC2)c1C ZINC000590051741 1070559066 /nfs/dbraw/zinc/55/90/66/1070559066.db2.gz KZIKJMIMKXRBLD-UHFFFAOYSA-N 0 0 477.590 0.978 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccc(S(C)(=O)=O)cc3)c(=O)n2CC(N)=O)c1C ZINC000590052237 1070559213 /nfs/dbraw/zinc/55/92/13/1070559213.db2.gz REVJAKSPMVHSON-UHFFFAOYSA-N 0 0 495.582 0.801 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCNS(C)(=O)=O)c1C ZINC000590052585 1070559172 /nfs/dbraw/zinc/55/91/72/1070559172.db2.gz YEDHWZCSPWCWSF-UHFFFAOYSA-N 0 0 485.591 0.195 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)C1CCC1 ZINC000590292633 1070573885 /nfs/dbraw/zinc/57/38/85/1070573885.db2.gz BUIHDSXMAZXCDF-UHFFFAOYSA-N 0 0 485.509 0.749 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O ZINC000590292658 1070574829 /nfs/dbraw/zinc/57/48/29/1070574829.db2.gz GCPUWQMRTLPCND-UHFFFAOYSA-N 0 0 487.415 0.927 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000590292826 1070573736 /nfs/dbraw/zinc/57/37/36/1070573736.db2.gz ZYLVWVYYIYBHPO-UHFFFAOYSA-N 0 0 487.525 0.995 20 30 JCEDRN CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000590612329 1070591434 /nfs/dbraw/zinc/59/14/34/1070591434.db2.gz SXSYNNXNCPKWCL-UHFFFAOYSA-N 0 0 453.502 0.153 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnnn2Cc2ccco2)CC1 ZINC000590615124 1070591331 /nfs/dbraw/zinc/59/13/31/1070591331.db2.gz TZFGSWXNUXRQOT-UHFFFAOYSA-N 0 0 473.540 0.811 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000590663683 1070606062 /nfs/dbraw/zinc/60/60/62/1070606062.db2.gz SYQFQNPEMZPYOP-UHFFFAOYSA-N 0 0 465.539 0.706 20 30 JCEDRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O ZINC000590666181 1070606160 /nfs/dbraw/zinc/60/61/60/1070606160.db2.gz FVOXSCGOWKUZMX-UHFFFAOYSA-N 0 0 461.500 0.789 20 30 JCEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1=O ZINC000590709299 1070610098 /nfs/dbraw/zinc/61/00/98/1070610098.db2.gz FFYZSEHEVIHMAT-UHFFFAOYSA-N 0 0 457.512 0.183 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 ZINC000590709567 1070610801 /nfs/dbraw/zinc/61/08/01/1070610801.db2.gz IVEPXMBXOCHXML-UHFFFAOYSA-N 0 0 477.543 0.875 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000590709570 1070610755 /nfs/dbraw/zinc/61/07/55/1070610755.db2.gz LEIWRFLLLVDIDE-UHFFFAOYSA-N 0 0 475.527 0.631 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@H](C)O3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590897230 1070621468 /nfs/dbraw/zinc/62/14/68/1070621468.db2.gz DWGUVLHSHOBNCF-HNNXBMFYSA-N 0 0 467.547 0.790 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@@H](C)O3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590897231 1070621437 /nfs/dbraw/zinc/62/14/37/1070621437.db2.gz DWGUVLHSHOBNCF-OAHLLOKOSA-N 0 0 467.547 0.790 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)c(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590897377 1070621316 /nfs/dbraw/zinc/62/13/16/1070621316.db2.gz OZRPYVRDVIYYGO-UHFFFAOYSA-N 0 0 466.607 0.973 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NCCCOCC ZINC000590897403 1070621392 /nfs/dbraw/zinc/62/13/92/1070621392.db2.gz QUTIUINUXDVQEC-UHFFFAOYSA-N 0 0 471.535 0.879 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000590897410 1070621405 /nfs/dbraw/zinc/62/14/05/1070621405.db2.gz RILCSDDLHUSOCU-UHFFFAOYSA-N 0 0 457.508 0.489 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590897433 1070621360 /nfs/dbraw/zinc/62/13/60/1070621360.db2.gz SRCBUXLMQZUEOX-UHFFFAOYSA-N 0 0 473.938 0.882 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590897446 1070621223 /nfs/dbraw/zinc/62/12/23/1070621223.db2.gz UOAMUHCYSRPPPC-UHFFFAOYSA-N 0 0 455.492 0.195 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000590897473 1070621279 /nfs/dbraw/zinc/62/12/79/1070621279.db2.gz VVICSBKCYXFXLD-UHFFFAOYSA-N 0 0 496.589 0.543 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@H](C)O3)sc1=C(C#N)C(=O)NCCOC ZINC000590897475 1070621415 /nfs/dbraw/zinc/62/14/15/1070621415.db2.gz VZSWOIIMIGCIFR-AWEZNQCLSA-N 0 0 455.536 0.693 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@@H](C)O3)sc1=C(C#N)C(=O)NCCOC ZINC000590897476 1070621457 /nfs/dbraw/zinc/62/14/57/1070621457.db2.gz VZSWOIIMIGCIFR-CQSZACIVSA-N 0 0 455.536 0.693 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590897481 1070621461 /nfs/dbraw/zinc/62/14/61/1070621461.db2.gz WLTISEDNLFZNPT-UHFFFAOYSA-N 0 0 469.519 0.237 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(OC(F)F)c2)sc1=C(C#N)C(=O)NCCOC ZINC000590897502 1070621373 /nfs/dbraw/zinc/62/13/73/1070621373.db2.gz YAUDNMBMBPAGPU-UHFFFAOYSA-N 0 0 465.478 0.971 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000590897516 1070621424 /nfs/dbraw/zinc/62/14/24/1070621424.db2.gz YSZVLDXWNJMRFH-UHFFFAOYSA-N 0 0 457.508 0.141 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000590897589 1070621298 /nfs/dbraw/zinc/62/12/98/1070621298.db2.gz DNVHHSKDLOIWCQ-AWEZNQCLSA-N 0 0 473.551 0.776 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000590897590 1070621431 /nfs/dbraw/zinc/62/14/31/1070621431.db2.gz DNVHHSKDLOIWCQ-CQSZACIVSA-N 0 0 473.551 0.776 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC[C@@H]3CCCO3)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000590898098 1070621448 /nfs/dbraw/zinc/62/14/48/1070621448.db2.gz LFSKVZHEHTZBQB-IBGZPJMESA-N 0 0 469.563 0.919 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC[C@H]3CCCO3)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000590898099 1070621340 /nfs/dbraw/zinc/62/13/40/1070621340.db2.gz LFSKVZHEHTZBQB-LJQANCHMSA-N 0 0 469.563 0.919 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000590903493 1070622151 /nfs/dbraw/zinc/62/21/51/1070622151.db2.gz CUKSGGFWXOCLNI-UHFFFAOYSA-N 0 0 475.640 0.769 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1CCCOCC ZINC000590903797 1070622122 /nfs/dbraw/zinc/62/21/22/1070622122.db2.gz AINKKCBEVFKYNV-UHFFFAOYSA-N 0 0 471.535 0.879 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCCOCC ZINC000590903878 1070622090 /nfs/dbraw/zinc/62/20/90/1070622090.db2.gz GPGLJZUZDJBFGD-UHFFFAOYSA-N 0 0 485.562 0.921 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000590903886 1070622036 /nfs/dbraw/zinc/62/20/36/1070622036.db2.gz RSFPGTVUGWMNSD-UHFFFAOYSA-N 0 0 471.535 0.855 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000590904017 1070622051 /nfs/dbraw/zinc/62/20/51/1070622051.db2.gz NFKQNFOTTAXQMC-UHFFFAOYSA-N 0 0 493.969 0.984 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000590908928 1070615554 /nfs/dbraw/zinc/61/55/54/1070615554.db2.gz UTPATZBAEHJVTD-AWEZNQCLSA-N 0 0 475.567 1.000 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000590908929 1070615658 /nfs/dbraw/zinc/61/56/58/1070615658.db2.gz UTPATZBAEHJVTD-CQSZACIVSA-N 0 0 475.567 1.000 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000590909191 1070615547 /nfs/dbraw/zinc/61/55/47/1070615547.db2.gz HNZHYKNRNFXZLH-UHFFFAOYSA-N 0 0 459.524 0.365 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590909204 1070615447 /nfs/dbraw/zinc/61/54/47/1070615447.db2.gz LELBWQZFOKRIRL-UHFFFAOYSA-N 0 0 471.535 0.461 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000590909426 1070615666 /nfs/dbraw/zinc/61/56/66/1070615666.db2.gz NMWKNJMFLWLZIO-UHFFFAOYSA-N 0 0 459.524 0.713 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590909431 1070615423 /nfs/dbraw/zinc/61/54/23/1070615423.db2.gz OUHZKFPVTMNJLT-UHFFFAOYSA-N 0 0 457.508 0.419 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000590909454 1070615521 /nfs/dbraw/zinc/61/55/21/1070615521.db2.gz SOIWOQDASGHUHW-UHFFFAOYSA-N 0 0 484.578 0.724 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@H](C)O3)sc1=C(C#N)C(=O)NCCOC ZINC000590910272 1070615566 /nfs/dbraw/zinc/61/55/66/1070615566.db2.gz UKXQBPKOKDQXQE-AWEZNQCLSA-N 0 0 457.552 0.917 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2OC)C[C@@H](C)O3)sc1=C(C#N)C(=O)NCCOC ZINC000590910273 1070615483 /nfs/dbraw/zinc/61/54/83/1070615483.db2.gz UKXQBPKOKDQXQE-CQSZACIVSA-N 0 0 457.552 0.917 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cs1 ZINC000590912745 1070615634 /nfs/dbraw/zinc/61/56/34/1070615634.db2.gz YWDDIMKJVVSRSR-UHFFFAOYSA-N 0 0 461.613 0.282 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CC(C)C ZINC000590913572 1070615497 /nfs/dbraw/zinc/61/54/97/1070615497.db2.gz DTYPOKCSZIFNFK-UHFFFAOYSA-N 0 0 473.551 0.611 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc2c1OCO2 ZINC000590913575 1070615537 /nfs/dbraw/zinc/61/55/37/1070615537.db2.gz HUSULLHBWLJKRT-UHFFFAOYSA-N 0 0 471.535 0.665 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1CC(C)C ZINC000590913576 1070616397 /nfs/dbraw/zinc/61/63/97/1070616397.db2.gz HZWVGIQDNPUGCE-UHFFFAOYSA-N 0 0 459.524 0.569 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1CC(C)C ZINC000590913578 1070616389 /nfs/dbraw/zinc/61/63/89/1070616389.db2.gz IFWWRVDQSQBSTJ-UHFFFAOYSA-N 0 0 473.551 0.959 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc4c(c(OC)c3)OCO4)c(=O)n2CC(C)C)CC1 ZINC000590913583 1070616462 /nfs/dbraw/zinc/61/64/62/1070616462.db2.gz IPJJXAWOUQLACV-UHFFFAOYSA-N 0 0 498.605 0.970 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000590914159 1070616488 /nfs/dbraw/zinc/61/64/88/1070616488.db2.gz RKDDCKLVYCDGTL-PBHICJAKSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000590914160 1070616383 /nfs/dbraw/zinc/61/63/83/1070616383.db2.gz RKDDCKLVYCDGTL-RHSMWYFYSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000590914161 1070616341 /nfs/dbraw/zinc/61/63/41/1070616341.db2.gz RKDDCKLVYCDGTL-WMLDXEAASA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000590914162 1070616479 /nfs/dbraw/zinc/61/64/79/1070616479.db2.gz RKDDCKLVYCDGTL-YOEHRIQHSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000590914202 1070616447 /nfs/dbraw/zinc/61/64/47/1070616447.db2.gz ZOVNPXWBKBZRFO-CRAIPNDOSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000590914203 1070616416 /nfs/dbraw/zinc/61/64/16/1070616416.db2.gz ZOVNPXWBKBZRFO-MAUKXSAKSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000590914204 1070616323 /nfs/dbraw/zinc/61/63/23/1070616323.db2.gz ZOVNPXWBKBZRFO-QAPCUYQASA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000590914205 1070616407 /nfs/dbraw/zinc/61/64/07/1070616407.db2.gz ZOVNPXWBKBZRFO-YJBOKZPZSA-N 0 0 457.552 0.752 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 ZINC000590914324 1070616453 /nfs/dbraw/zinc/61/64/53/1070616453.db2.gz HZQHPVCDPHLBJW-GDBMZVCRSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 ZINC000590914325 1070616424 /nfs/dbraw/zinc/61/64/24/1070616424.db2.gz HZQHPVCDPHLBJW-GOEBONIOSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 ZINC000590914326 1070616348 /nfs/dbraw/zinc/61/63/48/1070616348.db2.gz HZQHPVCDPHLBJW-HOCLYGCPSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 ZINC000590914327 1070616486 /nfs/dbraw/zinc/61/64/86/1070616486.db2.gz HZQHPVCDPHLBJW-ZBFHGGJFSA-N 0 0 472.523 0.651 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000590914660 1070616983 /nfs/dbraw/zinc/61/69/83/1070616983.db2.gz LOUPSGYMBMILNQ-CRAIPNDOSA-N 0 0 485.562 0.530 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000590914661 1070617843 /nfs/dbraw/zinc/61/78/43/1070617843.db2.gz LOUPSGYMBMILNQ-MAUKXSAKSA-N 0 0 485.562 0.530 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000590914662 1070617722 /nfs/dbraw/zinc/61/77/22/1070617722.db2.gz LOUPSGYMBMILNQ-QAPCUYQASA-N 0 0 485.562 0.530 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000590914663 1070617693 /nfs/dbraw/zinc/61/76/93/1070617693.db2.gz LOUPSGYMBMILNQ-YJBOKZPZSA-N 0 0 485.562 0.530 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000590914670 1070617739 /nfs/dbraw/zinc/61/77/39/1070617739.db2.gz NOTWBKMSUJLDIW-KRWDZBQOSA-N 0 0 455.536 0.905 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000590914671 1070617750 /nfs/dbraw/zinc/61/77/50/1070617750.db2.gz NOTWBKMSUJLDIW-QGZVFWFLSA-N 0 0 455.536 0.905 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc2c1OCO2 ZINC000590915142 1070616885 /nfs/dbraw/zinc/61/68/85/1070616885.db2.gz IYCSGGNZHONJIS-HNNXBMFYSA-N 0 0 471.535 0.854 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc2c1OCO2 ZINC000590915143 1070616917 /nfs/dbraw/zinc/61/69/17/1070616917.db2.gz IYCSGGNZHONJIS-OAHLLOKOSA-N 0 0 471.535 0.854 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc2c1OCO2 ZINC000590915150 1070616976 /nfs/dbraw/zinc/61/69/76/1070616976.db2.gz LJXNWAPLLAOJAW-INIZCTEOSA-N 0 0 499.545 0.188 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc2c1OCO2 ZINC000590915151 1070616944 /nfs/dbraw/zinc/61/69/44/1070616944.db2.gz LJXNWAPLLAOJAW-MRXNPFEDSA-N 0 0 499.545 0.188 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc2c1OCO2 ZINC000590915190 1070616958 /nfs/dbraw/zinc/61/69/58/1070616958.db2.gz WEZNXUHVQKUMMT-INIZCTEOSA-N 0 0 483.546 0.952 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cc2c1OCO2 ZINC000590915191 1070616998 /nfs/dbraw/zinc/61/69/98/1070616998.db2.gz WEZNXUHVQKUMMT-MRXNPFEDSA-N 0 0 483.546 0.952 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc2c1OCO2 ZINC000590915196 1070617010 /nfs/dbraw/zinc/61/70/10/1070617010.db2.gz YBLCJQLNQAKTBE-HNNXBMFYSA-N 0 0 469.519 0.608 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc2c1OCO2 ZINC000590915197 1070617000 /nfs/dbraw/zinc/61/70/00/1070617000.db2.gz YBLCJQLNQAKTBE-OAHLLOKOSA-N 0 0 469.519 0.608 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc2c1OCCO2 ZINC000590915238 1070616964 /nfs/dbraw/zinc/61/69/64/1070616964.db2.gz AXSXUGCFXBKYOM-KRWDZBQOSA-N 0 0 497.573 0.994 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cc2c1OCCO2 ZINC000590915243 1070616970 /nfs/dbraw/zinc/61/69/70/1070616970.db2.gz AXSXUGCFXBKYOM-QGZVFWFLSA-N 0 0 497.573 0.994 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc2c1OCCO2 ZINC000590915245 1070617003 /nfs/dbraw/zinc/61/70/03/1070617003.db2.gz BFFVVNRBFGSOPF-INIZCTEOSA-N 0 0 483.546 0.650 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc2c1OCCO2 ZINC000590915246 1070616950 /nfs/dbraw/zinc/61/69/50/1070616950.db2.gz BFFVVNRBFGSOPF-MRXNPFEDSA-N 0 0 483.546 0.650 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000590915251 1070617020 /nfs/dbraw/zinc/61/70/20/1070617020.db2.gz CYAMZXZSROQVIO-HNNXBMFYSA-N 0 0 471.535 0.855 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000590915252 1070616990 /nfs/dbraw/zinc/61/69/90/1070616990.db2.gz CYAMZXZSROQVIO-OAHLLOKOSA-N 0 0 471.535 0.855 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1C[C@H]1CCCO1 ZINC000590915430 1070616433 /nfs/dbraw/zinc/61/64/33/1070616433.db2.gz QWMWKMGNWHTRNP-CRAIPNDOSA-N 0 0 499.589 0.686 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1C[C@H]1CCCO1 ZINC000590915431 1070616441 /nfs/dbraw/zinc/61/64/41/1070616441.db2.gz QWMWKMGNWHTRNP-MAUKXSAKSA-N 0 0 499.589 0.686 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1C[C@@H]1CCCO1 ZINC000590915432 1070616473 /nfs/dbraw/zinc/61/64/73/1070616473.db2.gz QWMWKMGNWHTRNP-QAPCUYQASA-N 0 0 499.589 0.686 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1C[C@@H]1CCCO1 ZINC000590915433 1070616913 /nfs/dbraw/zinc/61/69/13/1070616913.db2.gz QWMWKMGNWHTRNP-YJBOKZPZSA-N 0 0 499.589 0.686 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000590915587 1070617834 /nfs/dbraw/zinc/61/78/34/1070617834.db2.gz HCRQXGBFIJEKCF-AWEZNQCLSA-N 0 0 491.953 0.737 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000590915588 1070617840 /nfs/dbraw/zinc/61/78/40/1070617840.db2.gz HCRQXGBFIJEKCF-CQSZACIVSA-N 0 0 491.953 0.737 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000590915593 1070617708 /nfs/dbraw/zinc/61/77/08/1070617708.db2.gz IDSXDUIKXIFREL-HNNXBMFYSA-N 0 0 461.515 0.502 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000590915594 1070617793 /nfs/dbraw/zinc/61/77/93/1070617793.db2.gz IDSXDUIKXIFREL-OAHLLOKOSA-N 0 0 461.515 0.502 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000590915609 1070617783 /nfs/dbraw/zinc/61/77/83/1070617783.db2.gz MTARNYNQNSDYRQ-INIZCTEOSA-N 0 0 475.542 0.892 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000590915610 1070617700 /nfs/dbraw/zinc/61/77/00/1070617700.db2.gz MTARNYNQNSDYRQ-MRXNPFEDSA-N 0 0 475.542 0.892 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000590915618 1070617675 /nfs/dbraw/zinc/61/76/75/1070617675.db2.gz OFDYKIUMQJHNCW-GDBMZVCRSA-N 0 0 475.542 0.891 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000590915619 1070617829 /nfs/dbraw/zinc/61/78/29/1070617829.db2.gz OFDYKIUMQJHNCW-GOEBONIOSA-N 0 0 475.542 0.891 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000590915620 1070617838 /nfs/dbraw/zinc/61/78/38/1070617838.db2.gz OFDYKIUMQJHNCW-HOCLYGCPSA-N 0 0 475.542 0.891 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000590915621 1070617689 /nfs/dbraw/zinc/61/76/89/1070617689.db2.gz OFDYKIUMQJHNCW-ZBFHGGJFSA-N 0 0 475.542 0.891 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)n(CC(N)=O)c1=O ZINC000590922793 1070618462 /nfs/dbraw/zinc/61/84/62/1070618462.db2.gz SIEOXCWAIMGSTH-UHFFFAOYSA-N 0 0 461.425 0.533 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000590927419 1070618451 /nfs/dbraw/zinc/61/84/51/1070618451.db2.gz BKOGOMNUACJYCI-UHFFFAOYSA-N 0 0 497.621 0.476 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 ZINC000590927608 1070618476 /nfs/dbraw/zinc/61/84/76/1070618476.db2.gz BYBIJHSFDNEXDN-GOSISDBHSA-N 0 0 470.595 0.205 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 ZINC000590927609 1070618414 /nfs/dbraw/zinc/61/84/14/1070618414.db2.gz BYBIJHSFDNEXDN-SFHVURJKSA-N 0 0 470.595 0.205 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCN2CCOCC2)c1=O ZINC000590927611 1070618542 /nfs/dbraw/zinc/61/85/42/1070618542.db2.gz CZWZYKJCNHLEAL-UHFFFAOYSA-N 0 0 454.596 0.826 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCN1CCOCC1 ZINC000590927616 1070618487 /nfs/dbraw/zinc/61/84/87/1070618487.db2.gz FEGXTECBVOWLNW-UHFFFAOYSA-N 0 0 492.548 0.873 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000590927631 1070619929 /nfs/dbraw/zinc/61/99/29/1070619929.db2.gz KMGCCEHGBHHEBD-UHFFFAOYSA-N 0 0 498.649 0.985 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000590927638 1070619868 /nfs/dbraw/zinc/61/98/68/1070619868.db2.gz METNPZBRPAJIFV-INIZCTEOSA-N 0 0 491.013 0.550 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000590927639 1070619962 /nfs/dbraw/zinc/61/99/62/1070619962.db2.gz METNPZBRPAJIFV-MRXNPFEDSA-N 0 0 491.013 0.550 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000590927644 1070620013 /nfs/dbraw/zinc/62/00/13/1070620013.db2.gz MTDUPWWSVKAZFM-UHFFFAOYSA-N 0 0 460.987 0.925 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000590927645 1070619921 /nfs/dbraw/zinc/61/99/21/1070619921.db2.gz MUCDOPDUFBKQIG-UHFFFAOYSA-N 0 0 453.568 0.199 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCN1CCOCC1 ZINC000590927661 1070620007 /nfs/dbraw/zinc/62/00/07/1070620007.db2.gz BJSJFSOOUZMVON-UHFFFAOYSA-N 0 0 492.548 0.873 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000590927691 1070619938 /nfs/dbraw/zinc/61/99/38/1070619938.db2.gz SGLATLHGVMIKKZ-UHFFFAOYSA-N 0 0 470.595 0.526 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000590927692 1070619911 /nfs/dbraw/zinc/61/99/11/1070619911.db2.gz FKCZZACARCKLFP-UHFFFAOYSA-N 0 0 458.559 0.656 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000590927699 1070620021 /nfs/dbraw/zinc/62/00/21/1070620021.db2.gz SKBHNKNMUSBXBP-UHFFFAOYSA-N 0 0 454.596 0.826 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000590927700 1070619984 /nfs/dbraw/zinc/61/99/84/1070619984.db2.gz SOZVIASBEALUFS-UHFFFAOYSA-N 0 0 482.606 0.812 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCN1CCOCC1 ZINC000590927707 1070619970 /nfs/dbraw/zinc/61/99/70/1070619970.db2.gz GFLRRBHNOLMBFI-UHFFFAOYSA-N 0 0 497.577 0.712 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000590927711 1070619956 /nfs/dbraw/zinc/61/99/56/1070619956.db2.gz GPAZSPPAGPWRLB-INIZCTEOSA-N 0 0 474.558 0.035 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000590927716 1070619991 /nfs/dbraw/zinc/61/99/91/1070619991.db2.gz GPAZSPPAGPWRLB-MRXNPFEDSA-N 0 0 474.558 0.035 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCCCOC(C)C)n(CCN2CCOCC2)c1=O ZINC000590927720 1070619889 /nfs/dbraw/zinc/61/98/89/1070619889.db2.gz VTMWWYAWZARGAE-UHFFFAOYSA-N 0 0 498.649 0.985 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCN1CCOCC1 ZINC000590927763 1070619997 /nfs/dbraw/zinc/61/99/97/1070619997.db2.gz IWAIXFJCRWLMJZ-UHFFFAOYSA-N 0 0 486.594 0.288 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000590927768 1070619902 /nfs/dbraw/zinc/61/99/02/1070619902.db2.gz JAHCICRXQJOJDR-UHFFFAOYSA-N 0 0 470.570 0.943 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 ZINC000590927780 1070619228 /nfs/dbraw/zinc/61/92/28/1070619228.db2.gz JZNCJYNCDVPRQH-UHFFFAOYSA-N 0 0 497.577 0.712 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 ZINC000590927781 1070619260 /nfs/dbraw/zinc/61/92/60/1070619260.db2.gz KIMVFJJWWTZABS-UHFFFAOYSA-N 0 0 471.539 0.179 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000590927805 1070619218 /nfs/dbraw/zinc/61/92/18/1070619218.db2.gz MSJKKTNCFCRPRW-UHFFFAOYSA-N 0 0 497.577 0.712 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000590927822 1070619245 /nfs/dbraw/zinc/61/92/45/1070619245.db2.gz NYKGXLRHCJWSSY-UHFFFAOYSA-N 0 0 485.566 0.425 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000590927825 1070619266 /nfs/dbraw/zinc/61/92/66/1070619266.db2.gz QEGSXFUNNIWMJQ-UHFFFAOYSA-N 0 0 482.606 0.812 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCN1CCOCC1 ZINC000590927836 1070619268 /nfs/dbraw/zinc/61/92/68/1070619268.db2.gz UOJGDBYARCHOFN-UHFFFAOYSA-N 0 0 471.539 0.179 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000590927843 1070619232 /nfs/dbraw/zinc/61/92/32/1070619232.db2.gz VGDZQKAEOFIJEX-UHFFFAOYSA-N 0 0 460.987 0.925 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCN1CCOCC1 ZINC000590927849 1070619978 /nfs/dbraw/zinc/61/99/78/1070619978.db2.gz WIJQUBRZYSMPQH-UHFFFAOYSA-N 0 0 498.605 0.288 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCN1CCOCC1 ZINC000590927863 1070619880 /nfs/dbraw/zinc/61/98/80/1070619880.db2.gz WVIMEAUZPMCHCR-UHFFFAOYSA-N 0 0 484.578 0.042 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCN1CCOCC1 ZINC000590927870 1070619946 /nfs/dbraw/zinc/61/99/46/1070619946.db2.gz XXOIVTAUBDRTGM-UHFFFAOYSA-N 0 0 486.594 0.288 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 ZINC000590927954 1070619256 /nfs/dbraw/zinc/61/92/56/1070619256.db2.gz LTDCWFWQPSNNND-UHFFFAOYSA-N 0 0 452.580 0.804 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000590927984 1070619238 /nfs/dbraw/zinc/61/92/38/1070619238.db2.gz NFRZSSYDWKCLNE-UHFFFAOYSA-N 0 0 485.610 0.071 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 ZINC000590928006 1070619221 /nfs/dbraw/zinc/61/92/21/1070619221.db2.gz CDPBCLJKVHWENO-UHFFFAOYSA-N 0 0 458.609 0.865 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)cc2)c(=O)n1CCN1CCOCC1 ZINC000590928009 1070619252 /nfs/dbraw/zinc/61/92/52/1070619252.db2.gz CJGJFHVGRZHOEL-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000590928013 1070619264 /nfs/dbraw/zinc/61/92/64/1070619264.db2.gz DRLFJJSAGMPDJK-INIZCTEOSA-N 0 0 474.558 0.035 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000590928014 1070619215 /nfs/dbraw/zinc/61/92/15/1070619215.db2.gz DRLFJJSAGMPDJK-MRXNPFEDSA-N 0 0 474.558 0.035 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000590928017 1070619211 /nfs/dbraw/zinc/61/92/11/1070619211.db2.gz GIKCXLMFURAPHO-INIZCTEOSA-N 0 0 474.558 0.035 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000590928018 1070619272 /nfs/dbraw/zinc/61/92/72/1070619272.db2.gz GIKCXLMFURAPHO-MRXNPFEDSA-N 0 0 474.558 0.035 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000590928019 1070619225 /nfs/dbraw/zinc/61/92/25/1070619225.db2.gz GRZICKKNRUODFT-UHFFFAOYSA-N 0 0 458.559 0.656 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000590928034 1070619241 /nfs/dbraw/zinc/61/92/41/1070619241.db2.gz JVMNZCOMVPDFRM-UHFFFAOYSA-N 0 0 454.596 0.826 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCN2CCOCC2)c1=O ZINC000590928046 1070619270 /nfs/dbraw/zinc/61/92/70/1070619270.db2.gz NNRRUZHZIGRWSW-UHFFFAOYSA-N 0 0 470.595 0.526 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCN1CCOCC1 ZINC000590928047 1070619249 /nfs/dbraw/zinc/61/92/49/1070619249.db2.gz ODYWRHQLAJTSEB-INIZCTEOSA-N 0 0 476.624 0.266 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCN1CCOCC1 ZINC000590928048 1070619262 /nfs/dbraw/zinc/61/92/62/1070619262.db2.gz ODYWRHQLAJTSEB-MRXNPFEDSA-N 0 0 476.624 0.266 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000590928075 1070618552 /nfs/dbraw/zinc/61/85/52/1070618552.db2.gz QCIUEISZRRDNOT-GOSISDBHSA-N 0 0 470.595 0.205 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000590928077 1070618432 /nfs/dbraw/zinc/61/84/32/1070618432.db2.gz QCIUEISZRRDNOT-SFHVURJKSA-N 0 0 470.595 0.205 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCN2CCOCC2)c1=O ZINC000590928083 1070618562 /nfs/dbraw/zinc/61/85/62/1070618562.db2.gz RJVZQFSALSONTC-UHFFFAOYSA-N 0 0 482.606 0.812 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCN1CCOCC1 ZINC000590928085 1070618546 /nfs/dbraw/zinc/61/85/46/1070618546.db2.gz RMICHWHGNIZYJH-UHFFFAOYSA-N 0 0 456.568 0.280 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000590928088 1070618444 /nfs/dbraw/zinc/61/84/44/1070618444.db2.gz OZJKVTVEAMJGGE-UHFFFAOYSA-N 0 0 453.568 0.199 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000590928097 1070618565 /nfs/dbraw/zinc/61/85/65/1070618565.db2.gz YGYQREBARQSWJU-UHFFFAOYSA-N 0 0 458.559 0.656 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCN1CCOCC1 ZINC000590928388 1070618502 /nfs/dbraw/zinc/61/85/02/1070618502.db2.gz AKLQFGWVDPYIIO-UHFFFAOYSA-N 0 0 484.578 0.058 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCN1CCOCC1 ZINC000590928471 1070618394 /nfs/dbraw/zinc/61/83/94/1070618394.db2.gz ZTYPRWANKXLVTG-UHFFFAOYSA-N 0 0 456.568 0.280 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)s1 ZINC000590928481 1070618472 /nfs/dbraw/zinc/61/84/72/1070618472.db2.gz DCYMULMXFJYCSW-UHFFFAOYSA-N 0 0 460.625 0.887 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCN1CCOCC1 ZINC000590928520 1070618479 /nfs/dbraw/zinc/61/84/79/1070618479.db2.gz GBBPHBSVCALSAN-UHFFFAOYSA-N 0 0 477.590 0.819 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000590928552 1070618519 /nfs/dbraw/zinc/61/85/19/1070618519.db2.gz IMGYJJFAVPYVQA-UHFFFAOYSA-N 0 0 454.596 0.888 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000590928568 1070618492 /nfs/dbraw/zinc/61/84/92/1070618492.db2.gz JSXJQXIAWOHPGA-UHFFFAOYSA-N 0 0 498.605 0.304 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCN1CCOCC1 ZINC000590928599 1070620029 /nfs/dbraw/zinc/62/00/29/1070620029.db2.gz LDZODCSTBJKTRW-UHFFFAOYSA-N 0 0 454.596 0.834 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCN3CCOCC3)c2=O)cc1 ZINC000590928896 1070620676 /nfs/dbraw/zinc/62/06/76/1070620676.db2.gz SRYOZPAYWICTHF-GOSISDBHSA-N 0 0 484.622 0.459 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCN3CCOCC3)c2=O)cc1 ZINC000590928897 1070620667 /nfs/dbraw/zinc/62/06/67/1070620667.db2.gz SRYOZPAYWICTHF-SFHVURJKSA-N 0 0 484.622 0.459 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCN1CCOCC1 ZINC000590928951 1070620634 /nfs/dbraw/zinc/62/06/34/1070620634.db2.gz YAJOQJKALROJGJ-UHFFFAOYSA-N 0 0 454.596 0.888 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 ZINC000590929400 1070620678 /nfs/dbraw/zinc/62/06/78/1070620678.db2.gz KALNFUFFMWGEIF-UHFFFAOYSA-N 0 0 462.522 0.549 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000590929582 1070620640 /nfs/dbraw/zinc/62/06/40/1070620640.db2.gz NTMPGAXGMSCCBD-UHFFFAOYSA-N 0 0 462.522 0.549 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CCN1CCOCC1 ZINC000590929764 1070620627 /nfs/dbraw/zinc/62/06/27/1070620627.db2.gz UDHHJMZKZZGXQX-UHFFFAOYSA-N 0 0 495.374 0.393 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 ZINC000590930089 1070620673 /nfs/dbraw/zinc/62/06/73/1070620673.db2.gz XUSGCVDQZKYIIJ-UHFFFAOYSA-N 0 0 476.549 0.795 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000590931928 1070620645 /nfs/dbraw/zinc/62/06/45/1070620645.db2.gz BROQDGCSSHSKEW-UHFFFAOYSA-N 0 0 484.622 0.433 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)cc1C ZINC000590931947 1070620681 /nfs/dbraw/zinc/62/06/81/1070620681.db2.gz JKGSXDAMNUVTQC-UHFFFAOYSA-N 0 0 496.633 0.529 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000590932022 1070620670 /nfs/dbraw/zinc/62/06/70/1070620670.db2.gz QYVKBTINAKQFIY-FQEVSTJZSA-N 0 0 498.649 0.821 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000590932023 1070620659 /nfs/dbraw/zinc/62/06/59/1070620659.db2.gz QYVKBTINAKQFIY-HXUWFJFHSA-N 0 0 498.649 0.821 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000590932038 1070620647 /nfs/dbraw/zinc/62/06/47/1070620647.db2.gz VGOMJVUKQCURNC-UHFFFAOYSA-N 0 0 498.649 0.823 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000590932693 1070620654 /nfs/dbraw/zinc/62/06/54/1070620654.db2.gz MPPZGJYLNSPXPF-UHFFFAOYSA-N 0 0 492.548 0.709 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cs1 ZINC000590932778 1070620663 /nfs/dbraw/zinc/62/06/63/1070620663.db2.gz QTJNFDRFEYHDKT-UHFFFAOYSA-N 0 0 461.613 0.282 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000590932800 1070620652 /nfs/dbraw/zinc/62/06/52/1070620652.db2.gz AETYWNYTNDSJRT-UHFFFAOYSA-N 0 0 488.585 0.809 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1F ZINC000590932810 1070620658 /nfs/dbraw/zinc/62/06/58/1070620658.db2.gz GNKFKPBXNUOCJP-UHFFFAOYSA-N 0 0 472.542 0.171 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000590932875 1070620638 /nfs/dbraw/zinc/62/06/38/1070620638.db2.gz XIPWYIJBLDMFOI-UHFFFAOYSA-N 0 0 476.549 0.795 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1F ZINC000590932876 1070620665 /nfs/dbraw/zinc/62/06/65/1070620665.db2.gz XJYSEBUJGAUFLZ-UHFFFAOYSA-N 0 0 474.558 0.417 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000590932880 1070620617 /nfs/dbraw/zinc/62/06/17/1070620617.db2.gz XNGUXLNQAWQXFV-HNNXBMFYSA-N 0 0 492.548 0.174 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000590932887 1070620650 /nfs/dbraw/zinc/62/06/50/1070620650.db2.gz XNGUXLNQAWQXFV-OAHLLOKOSA-N 0 0 492.548 0.174 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)cc1F ZINC000590935390 1070621258 /nfs/dbraw/zinc/62/12/58/1070621258.db2.gz CENGVEVVKPSBMC-UHFFFAOYSA-N 0 0 488.585 0.665 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000590935415 1070621380 /nfs/dbraw/zinc/62/13/80/1070621380.db2.gz JFGQSSFIAKBZLI-UHFFFAOYSA-N 0 0 474.558 0.419 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000590935432 1070621328 /nfs/dbraw/zinc/62/13/28/1070621328.db2.gz RJKYYKVAXMVOGG-UHFFFAOYSA-N 0 0 472.542 0.195 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000590936168 1070623019 /nfs/dbraw/zinc/62/30/19/1070623019.db2.gz QRZHJDFEEVCUDA-AEFFLSMTSA-N 0 0 470.595 0.988 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000590936169 1070623785 /nfs/dbraw/zinc/62/37/85/1070623785.db2.gz QRZHJDFEEVCUDA-FUHWJXTLSA-N 0 0 470.595 0.988 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000590936170 1070623880 /nfs/dbraw/zinc/62/38/80/1070623880.db2.gz QRZHJDFEEVCUDA-SJLPKXTDSA-N 0 0 470.595 0.988 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000590936171 1070623872 /nfs/dbraw/zinc/62/38/72/1070623872.db2.gz QRZHJDFEEVCUDA-WMZOPIPTSA-N 0 0 470.595 0.988 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000590936505 1070618525 /nfs/dbraw/zinc/61/85/25/1070618525.db2.gz APJUAHICMYHECE-UHFFFAOYSA-N 0 0 470.595 0.588 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCN1CCOCC1 ZINC000590936593 1070623755 /nfs/dbraw/zinc/62/37/55/1070623755.db2.gz IDQSTCLHJZHJPG-UHFFFAOYSA-N 0 0 491.013 0.933 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000590936886 1070623804 /nfs/dbraw/zinc/62/38/04/1070623804.db2.gz BUJJWDKBIBXAIF-UHFFFAOYSA-N 0 0 483.015 0.223 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000590936903 1070623674 /nfs/dbraw/zinc/62/36/74/1070623674.db2.gz HKHVQUPROZOZAR-UHFFFAOYSA-N 0 0 467.016 0.985 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000590936912 1070623867 /nfs/dbraw/zinc/62/38/67/1070623867.db2.gz KPJYSNFNZWXZQE-UHFFFAOYSA-N 0 0 495.026 0.319 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000590936915 1070623823 /nfs/dbraw/zinc/62/38/23/1070623823.db2.gz LCXFWUJAQWVVEQ-UHFFFAOYSA-N 0 0 497.042 0.613 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000590936917 1070623659 /nfs/dbraw/zinc/62/36/59/1070623659.db2.gz PSXSDRVPHJJGPI-AWEZNQCLSA-N 0 0 497.042 0.611 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 ZINC000590936918 1070623903 /nfs/dbraw/zinc/62/39/03/1070623903.db2.gz PSXSDRVPHJJGPI-CQSZACIVSA-N 0 0 497.042 0.611 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)cs1 ZINC000590964634 1070622964 /nfs/dbraw/zinc/62/29/64/1070622964.db2.gz MZRISLDHGAOZBK-UHFFFAOYSA-N 0 0 481.603 0.615 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)cc2c1OCO2 ZINC000590964700 1070622828 /nfs/dbraw/zinc/62/28/28/1070622828.db2.gz YSSYIMBEJPOLSC-UHFFFAOYSA-N 0 0 491.525 0.998 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1-c1ccccc1 ZINC000590964758 1070622980 /nfs/dbraw/zinc/62/29/80/1070622980.db2.gz OLVGQQBCNUXDPR-UHFFFAOYSA-N 0 0 479.514 0.902 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1-c1ccccc1 ZINC000590965727 1070622997 /nfs/dbraw/zinc/62/29/97/1070622997.db2.gz TVGYAYRCQYTBBY-UHFFFAOYSA-N 0 0 493.541 0.944 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccc(F)cc3)c2=O)cs1 ZINC000590973435 1070622886 /nfs/dbraw/zinc/62/28/86/1070622886.db2.gz OBFYLEJOSAXGQR-UHFFFAOYSA-N 0 0 499.593 0.755 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(Cc3ccccc3)c2=O)cs1 ZINC000590975606 1070622812 /nfs/dbraw/zinc/62/28/12/1070622812.db2.gz SCMOLXKLAGUTCE-UHFFFAOYSA-N 0 0 495.630 0.675 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1Cc1ccccc1 ZINC000590975841 1070622947 /nfs/dbraw/zinc/62/29/47/1070622947.db2.gz YUAMMHCKLJTTTO-UHFFFAOYSA-N 0 0 493.541 0.961 20 30 JCEDRN Cc1nc(CN2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)cs1 ZINC000590980808 1070623853 /nfs/dbraw/zinc/62/38/53/1070623853.db2.gz AKQUIQGTWFPGQY-UHFFFAOYSA-N 0 0 488.639 0.974 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000590981891 1070623793 /nfs/dbraw/zinc/62/37/93/1070623793.db2.gz JXLHONPKPXGMJP-UHFFFAOYSA-N 0 0 498.608 0.891 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C ZINC000590982291 1070623707 /nfs/dbraw/zinc/62/37/07/1070623707.db2.gz FNFPNTCHHGSRER-UHFFFAOYSA-N 0 0 452.330 0.953 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C ZINC000590983165 1070623686 /nfs/dbraw/zinc/62/36/86/1070623686.db2.gz FMPIVKLLUJUCAQ-UHFFFAOYSA-N 0 0 463.943 0.917 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)c4c(c3)OCCO4)c(=O)n2C)CC1 ZINC000590983179 1070623811 /nfs/dbraw/zinc/62/38/11/1070623811.db2.gz HVCDHRCDXRYJEG-UHFFFAOYSA-N 0 0 474.970 0.539 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)c4c(c3)OCCCO4)c(=O)n2C)CC1 ZINC000590983239 1070623886 /nfs/dbraw/zinc/62/38/86/1070623886.db2.gz UJJSSXUWXMMISC-UHFFFAOYSA-N 0 0 488.997 0.929 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590983596 1070623830 /nfs/dbraw/zinc/62/38/30/1070623830.db2.gz RJHZTUCQFPNCDY-UHFFFAOYSA-N 0 0 488.585 0.809 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Br)s3)c(=O)n2C)CC1 ZINC000590983813 1070624605 /nfs/dbraw/zinc/62/46/05/1070624605.db2.gz HPRBELDVOFCJHO-UHFFFAOYSA-N 0 0 467.414 0.938 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(Br)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590984058 1070624651 /nfs/dbraw/zinc/62/46/51/1070624651.db2.gz QNTOWGDCZSSFHN-UHFFFAOYSA-N 0 0 483.413 0.222 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(F)c(Br)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590984101 1070624505 /nfs/dbraw/zinc/62/45/05/1070624505.db2.gz UHPFRCNYHJKICO-UHFFFAOYSA-N 0 0 452.305 0.710 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(C)c(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590985348 1070624537 /nfs/dbraw/zinc/62/45/37/1070624537.db2.gz ISUZTOYYASWTFP-UHFFFAOYSA-N 0 0 454.596 0.806 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(Br)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590985798 1070624616 /nfs/dbraw/zinc/62/46/16/1070624616.db2.gz WKNYLTCDKOWCTC-UHFFFAOYSA-N 0 0 497.440 0.705 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590986557 1070624566 /nfs/dbraw/zinc/62/45/66/1070624566.db2.gz VBICYTWPMHYHSY-UHFFFAOYSA-N 0 0 452.989 0.596 20 30 JCEDRN CCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590986624 1070624632 /nfs/dbraw/zinc/62/46/32/1070624632.db2.gz JSSZYQCYDRKKNE-UHFFFAOYSA-N 0 0 490.969 0.263 20 30 JCEDRN CCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000590986634 1070624662 /nfs/dbraw/zinc/62/46/62/1070624662.db2.gz LXWIGZNYWXRPKS-UHFFFAOYSA-N 0 0 474.970 0.979 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590986640 1070624680 /nfs/dbraw/zinc/62/46/80/1070624680.db2.gz MUZISDATOMVZQN-UHFFFAOYSA-N 0 0 460.531 0.029 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(OC)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590990465 1070625327 /nfs/dbraw/zinc/62/53/27/1070625327.db2.gz LQNOUQJEEYGNFY-UHFFFAOYSA-N 0 0 489.525 0.373 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCCC(=O)OC ZINC000590990490 1070624578 /nfs/dbraw/zinc/62/45/78/1070624578.db2.gz UOOQSNVBXMXCDX-UHFFFAOYSA-N 0 0 459.499 0.816 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590990526 1070625487 /nfs/dbraw/zinc/62/54/87/1070625487.db2.gz BCMYOYQDNQWKHQ-UHFFFAOYSA-N 0 0 481.983 0.940 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000590994648 1070625407 /nfs/dbraw/zinc/62/54/07/1070625407.db2.gz GCOXZFCAKKPMRI-UHFFFAOYSA-N 0 0 484.559 0.701 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000590994692 1070626030 /nfs/dbraw/zinc/62/60/30/1070626030.db2.gz OUFSIDMLEAOMGH-HNNXBMFYSA-N 0 0 478.530 0.719 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000590994693 1070626178 /nfs/dbraw/zinc/62/61/78/1070626178.db2.gz OUFSIDMLEAOMGH-OAHLLOKOSA-N 0 0 478.530 0.719 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590994962 1070626124 /nfs/dbraw/zinc/62/61/24/1070626124.db2.gz AMJUDAWFKJEZHG-UHFFFAOYSA-N 0 0 486.663 0.923 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590995179 1070625385 /nfs/dbraw/zinc/62/53/85/1070625385.db2.gz RKJPRVOSYAAIGJ-UHFFFAOYSA-N 0 0 486.663 0.923 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCCSC)CC1 ZINC000590995473 1070625449 /nfs/dbraw/zinc/62/54/49/1070625449.db2.gz BJEDEIICSKQIJU-UHFFFAOYSA-N 0 0 457.625 0.725 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590995618 1070625281 /nfs/dbraw/zinc/62/52/81/1070625281.db2.gz MWGATQZOIQSOJL-UHFFFAOYSA-N 0 0 473.624 0.009 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCCSC ZINC000590995640 1070625496 /nfs/dbraw/zinc/62/54/96/1070625496.db2.gz NVXSCWKRVUQLLJ-UHFFFAOYSA-N 0 0 462.553 0.837 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCCSC ZINC000590995671 1070626115 /nfs/dbraw/zinc/62/61/15/1070626115.db2.gz QJOCJYPLVJBQHF-UHFFFAOYSA-N 0 0 474.608 0.887 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590995722 1070626020 /nfs/dbraw/zinc/62/60/20/1070626020.db2.gz URDXXNXOITXUIN-UHFFFAOYSA-N 0 0 487.603 0.796 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000590995725 1070626159 /nfs/dbraw/zinc/62/61/59/1070626159.db2.gz VDPPXRFCZBHEPE-UHFFFAOYSA-N 0 0 486.619 0.983 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590995733 1070626168 /nfs/dbraw/zinc/62/61/68/1070626168.db2.gz WGLUUKWGCFJOCA-UHFFFAOYSA-N 0 0 478.665 0.676 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCCSC ZINC000590995742 1070626217 /nfs/dbraw/zinc/62/62/17/1070626217.db2.gz WWVKMAMVNUKOAS-UHFFFAOYSA-N 0 0 462.553 0.837 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccco2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590995764 1070626206 /nfs/dbraw/zinc/62/62/06/1070626206.db2.gz YWUISNACWKLICN-UHFFFAOYSA-N 0 0 462.597 0.207 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590995965 1070626146 /nfs/dbraw/zinc/62/61/46/1070626146.db2.gz CPYIVUJYDDOGPW-UHFFFAOYSA-N 0 0 478.665 0.676 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2CCCSC)CC1 ZINC000590996079 1070626099 /nfs/dbraw/zinc/62/60/99/1070626099.db2.gz PBCXDDOBUNLHQJ-UHFFFAOYSA-N 0 0 457.625 0.725 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590996119 1070626080 /nfs/dbraw/zinc/62/60/80/1070626080.db2.gz UHMCDGCQEIFANI-UHFFFAOYSA-N 0 0 476.624 0.516 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590996363 1070626222 /nfs/dbraw/zinc/62/62/22/1070626222.db2.gz ZHVJTMZWOGUJAE-UHFFFAOYSA-N 0 0 490.626 0.753 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccc(C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590996594 1070626043 /nfs/dbraw/zinc/62/60/43/1070626043.db2.gz IDSLQQKRGPVUHA-UHFFFAOYSA-N 0 0 492.692 0.984 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C2CC2)CC1 ZINC000590996864 1070626922 /nfs/dbraw/zinc/62/69/22/1070626922.db2.gz AQBDKUXWMDECMI-UHFFFAOYSA-N 0 0 468.579 0.929 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1C1CC1 ZINC000590996922 1070626908 /nfs/dbraw/zinc/62/69/08/1070626908.db2.gz GVVBAAPYGMSNKL-UHFFFAOYSA-N 0 0 458.971 0.850 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(NC(C)=O)cc3)c(=O)n2C2CC2)CC1 ZINC000590996973 1070626886 /nfs/dbraw/zinc/62/68/86/1070626886.db2.gz KKNAJQVPODIPHB-UHFFFAOYSA-N 0 0 465.579 0.870 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 ZINC000590997053 1070626872 /nfs/dbraw/zinc/62/68/72/1070626872.db2.gz RNXJVHAUMTZPOD-UHFFFAOYSA-N 0 0 481.578 0.155 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2C2CC2)CC1 ZINC000590997078 1070626748 /nfs/dbraw/zinc/62/67/48/1070626748.db2.gz TXWZVWITBYLBMO-UHFFFAOYSA-N 0 0 453.524 0.820 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1OC ZINC000590997281 1070626229 /nfs/dbraw/zinc/62/62/29/1070626229.db2.gz ASKHBRXZSOXIEQ-UHFFFAOYSA-N 0 0 484.578 0.213 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 ZINC000590997349 1070626134 /nfs/dbraw/zinc/62/61/34/1070626134.db2.gz IIPVLNGETIBWFR-UHFFFAOYSA-N 0 0 454.552 0.205 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1OC ZINC000590997376 1070626188 /nfs/dbraw/zinc/62/61/88/1070626188.db2.gz KENVQBLNLYTNQG-UHFFFAOYSA-N 0 0 484.578 0.213 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1OC ZINC000590997489 1070626088 /nfs/dbraw/zinc/62/60/88/1070626088.db2.gz WCYOUWGFOTYZNB-UHFFFAOYSA-N 0 0 498.605 0.603 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C1CC1 ZINC000590997604 1070626193 /nfs/dbraw/zinc/62/61/93/1070626193.db2.gz BTLQLYIDYWZCNU-UHFFFAOYSA-N 0 0 450.314 0.970 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1C1CC1 ZINC000590997631 1070626055 /nfs/dbraw/zinc/62/60/55/1070626055.db2.gz GOHHBIWBUWNBDX-UHFFFAOYSA-N 0 0 494.367 0.987 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O ZINC000590997715 1070626975 /nfs/dbraw/zinc/62/69/75/1070626975.db2.gz XFPCTLJFMUSZEL-UHFFFAOYSA-N 0 0 454.552 0.205 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1CCCSC ZINC000590997780 1070626990 /nfs/dbraw/zinc/62/69/90/1070626990.db2.gz DAUJUAHNEXYNET-UHFFFAOYSA-N 0 0 491.591 0.666 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 ZINC000590998071 1070626837 /nfs/dbraw/zinc/62/68/37/1070626837.db2.gz BZPLXLCJLDQTAD-UHFFFAOYSA-N 0 0 473.551 0.926 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C1CC1 ZINC000590998079 1070626962 /nfs/dbraw/zinc/62/69/62/1070626962.db2.gz CSXWNSHOCRDUKW-UHFFFAOYSA-N 0 0 490.532 0.798 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C2CC2)CC1 ZINC000590998082 1070626811 /nfs/dbraw/zinc/62/68/11/1070626811.db2.gz CXISYOONPQRLOC-UHFFFAOYSA-N 0 0 498.605 0.938 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2C2CC2)CC1 ZINC000590998192 1070626787 /nfs/dbraw/zinc/62/67/87/1070626787.db2.gz IXBNQBUVUAVEFK-UHFFFAOYSA-N 0 0 453.524 0.820 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C1CC1 ZINC000590998424 1070626765 /nfs/dbraw/zinc/62/67/65/1070626765.db2.gz VESKDDCEKZOCAL-UHFFFAOYSA-N 0 0 460.506 0.474 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CC1 ZINC000590998483 1070627006 /nfs/dbraw/zinc/62/70/06/1070627006.db2.gz KCKKNWAHPMORKX-UHFFFAOYSA-N 0 0 469.523 0.104 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 ZINC000590998492 1070626945 /nfs/dbraw/zinc/62/69/45/1070626945.db2.gz LACSOIDUZMKQKG-UHFFFAOYSA-N 0 0 459.524 0.536 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OC)c3OC)c(=O)n2C2CC2)CC1 ZINC000590998613 1070627027 /nfs/dbraw/zinc/62/70/27/1070627027.db2.gz DIWJFTWLNVEFHR-UHFFFAOYSA-N 0 0 498.605 0.938 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1C1CC1 ZINC000590998681 1070626702 /nfs/dbraw/zinc/62/67/02/1070626702.db2.gz IRQOGDAEJHGYQO-UHFFFAOYSA-N 0 0 459.524 0.536 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1C1CC1 ZINC000590998719 1070626779 /nfs/dbraw/zinc/62/67/79/1070626779.db2.gz LLMXWTXUIPJSHI-UHFFFAOYSA-N 0 0 457.508 0.638 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc2c1OCO2 ZINC000590998721 1070627051 /nfs/dbraw/zinc/62/70/51/1070627051.db2.gz LWJIFIIEFNODNE-UHFFFAOYSA-N 0 0 455.492 0.344 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c4c(c3)OCCO4)c(=O)n2C2CC2)CC1 ZINC000590998756 1070627678 /nfs/dbraw/zinc/62/76/78/1070627678.db2.gz WMOSMIAIVXYPOQ-UHFFFAOYSA-N 0 0 496.589 0.692 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc2c1OCCO2 ZINC000590998772 1070627712 /nfs/dbraw/zinc/62/77/12/1070627712.db2.gz ZZRNKMBYQXYXLT-UHFFFAOYSA-N 0 0 469.519 0.386 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 ZINC000590998806 1070627759 /nfs/dbraw/zinc/62/77/59/1070627759.db2.gz YGVCCRSMFRHSIG-CYBMUJFWSA-N 0 0 473.551 0.925 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 ZINC000590998807 1070627726 /nfs/dbraw/zinc/62/77/26/1070627726.db2.gz YGVCCRSMFRHSIG-ZDUSSCGKSA-N 0 0 473.551 0.925 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CC1 ZINC000590998827 1070627671 /nfs/dbraw/zinc/62/76/71/1070627671.db2.gz ZSXWYJGCQZIKGQ-UHFFFAOYSA-N 0 0 469.523 0.104 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O ZINC000590998832 1070627648 /nfs/dbraw/zinc/62/76/48/1070627648.db2.gz LNJICLOGBXBKFA-UHFFFAOYSA-N 0 0 468.579 0.595 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c(OC)c1OC ZINC000590998886 1070627843 /nfs/dbraw/zinc/62/78/43/1070627843.db2.gz RUWYZRANHWQMSX-UHFFFAOYSA-N 0 0 471.535 0.632 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1C1CC1 ZINC000590998915 1070627799 /nfs/dbraw/zinc/62/77/99/1070627799.db2.gz VNPHOCCFMPOIEP-UHFFFAOYSA-N 0 0 473.551 0.926 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 ZINC000590998937 1070627629 /nfs/dbraw/zinc/62/76/29/1070627629.db2.gz WYPZPNKJGRFSDP-UHFFFAOYSA-N 0 0 468.579 0.595 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C1CC1 ZINC000590999157 1070627660 /nfs/dbraw/zinc/62/76/60/1070627660.db2.gz PBCGURGXCCXOAI-UHFFFAOYSA-N 0 0 475.574 0.744 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 ZINC000590999171 1070627642 /nfs/dbraw/zinc/62/76/42/1070627642.db2.gz PVYAMYJQFBNIOK-UHFFFAOYSA-N 0 0 452.580 0.813 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C1CC1 ZINC000590999550 1070627751 /nfs/dbraw/zinc/62/77/51/1070627751.db2.gz NMNMJOVRYRUUKE-UHFFFAOYSA-N 0 0 460.506 0.474 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1F ZINC000590999567 1070627827 /nfs/dbraw/zinc/62/78/27/1070627827.db2.gz RELNJEKAUFTMLL-UHFFFAOYSA-N 0 0 472.542 0.344 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1C ZINC000591000016 1070628604 /nfs/dbraw/zinc/62/86/04/1070628604.db2.gz ASGSDZVBBBBPNR-UHFFFAOYSA-N 0 0 468.579 0.513 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C1CC1 ZINC000591000097 1070627786 /nfs/dbraw/zinc/62/77/86/1070627786.db2.gz JBJMOFAPTFGQRW-UHFFFAOYSA-N 0 0 461.927 0.935 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1C1CC1 ZINC000591000099 1070627699 /nfs/dbraw/zinc/62/76/99/1070627699.db2.gz JHDCIRPUSNZLGA-CYBMUJFWSA-N 0 0 455.536 0.842 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1C1CC1 ZINC000591000100 1070627796 /nfs/dbraw/zinc/62/77/96/1070627796.db2.gz JHDCIRPUSNZLGA-ZDUSSCGKSA-N 0 0 455.536 0.842 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CC1 ZINC000591000123 1070628483 /nfs/dbraw/zinc/62/84/83/1070628483.db2.gz DBWOPISSEBCPGJ-UHFFFAOYSA-N 0 0 459.524 0.979 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C1CC1 ZINC000591000288 1070627767 /nfs/dbraw/zinc/62/77/67/1070627767.db2.gz XQRYQEQVLOXCNA-UHFFFAOYSA-N 0 0 465.000 0.911 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C(=O)OC)c(C)o3)c(=O)n2C2CC2)CC1 ZINC000591000316 1070627817 /nfs/dbraw/zinc/62/78/17/1070627817.db2.gz ZRAYHSZFAQTZPI-UHFFFAOYSA-N 0 0 470.551 0.600 20 30 JCEDRN COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c1=O)O[C@@H](C)C2 ZINC000591000383 1070627810 /nfs/dbraw/zinc/62/78/10/1070627810.db2.gz LWLOMWFGDVKPRU-AWEZNQCLSA-N 0 0 467.547 0.939 20 30 JCEDRN COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c1=O)O[C@H](C)C2 ZINC000591000384 1070627740 /nfs/dbraw/zinc/62/77/40/1070627740.db2.gz LWLOMWFGDVKPRU-CQSZACIVSA-N 0 0 467.547 0.939 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCC(=O)N3CCC[C@H]3C(=O)NC)n2c2ccccc2c1=O ZINC000591089721 1070636801 /nfs/dbraw/zinc/63/68/01/1070636801.db2.gz AQJVFUMPOMNRIQ-INIZCTEOSA-N 0 0 483.554 0.176 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCC(=O)N3CCC[C@@H]3C(=O)NC)n2c2ccccc2c1=O ZINC000591089722 1070636677 /nfs/dbraw/zinc/63/66/77/1070636677.db2.gz AQJVFUMPOMNRIQ-MRXNPFEDSA-N 0 0 483.554 0.176 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 ZINC000591114101 1070644873 /nfs/dbraw/zinc/64/48/73/1070644873.db2.gz AZINGGJDXFQYFF-UHFFFAOYSA-N 0 0 473.393 0.759 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC000591206063 1070650172 /nfs/dbraw/zinc/65/01/72/1070650172.db2.gz ZYLGIEXFTWMZMW-UHFFFAOYSA-N 0 0 488.614 0.615 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)C1=O ZINC000591221012 1070650208 /nfs/dbraw/zinc/65/02/08/1070650208.db2.gz SJKSXQVZLZUEAJ-UHFFFAOYSA-N 0 0 456.546 0.414 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 ZINC000591260386 1070654255 /nfs/dbraw/zinc/65/42/55/1070654255.db2.gz XOQQDXFSAIYOSB-UHFFFAOYSA-N 0 0 466.541 0.428 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1=O ZINC000591297561 1070659947 /nfs/dbraw/zinc/65/99/47/1070659947.db2.gz YNHSSVNUUUTOOQ-AWEZNQCLSA-N 0 0 452.464 0.072 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1=O ZINC000591297562 1070659736 /nfs/dbraw/zinc/65/97/36/1070659736.db2.gz YNHSSVNUUUTOOQ-CQSZACIVSA-N 0 0 452.464 0.072 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 ZINC000591393908 1070668441 /nfs/dbraw/zinc/66/84/41/1070668441.db2.gz BUAZIPLBEROUSA-UHFFFAOYSA-N 0 0 466.541 0.428 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000591555629 1070679075 /nfs/dbraw/zinc/67/90/75/1070679075.db2.gz PIBVBQKCMKRODU-UHFFFAOYSA-N 0 0 474.587 0.225 20 30 JCEDRN C=CCc1cc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(OC)c1OC ZINC000591583540 1070682340 /nfs/dbraw/zinc/68/23/40/1070682340.db2.gz RWZFRYMMQJXSAP-UHFFFAOYSA-N 0 0 458.515 0.935 20 30 JCEDRN CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000591587326 1070683852 /nfs/dbraw/zinc/68/38/52/1070683852.db2.gz MBTWLNVWMKVAKC-UHFFFAOYSA-N 0 0 453.502 0.153 20 30 JCEDRN CS(=O)(=O)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000591652033 1070687070 /nfs/dbraw/zinc/68/70/70/1070687070.db2.gz AFZJVLUOOQIVQY-UHFFFAOYSA-N 0 0 462.553 0.857 20 30 JCEDRN CS(=O)(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(C#N)c1 ZINC000591652058 1070687183 /nfs/dbraw/zinc/68/71/83/1070687183.db2.gz FUFVWQODMSODOH-UHFFFAOYSA-N 0 0 478.552 0.984 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)ccc1F ZINC000591684539 1070687191 /nfs/dbraw/zinc/68/71/91/1070687191.db2.gz JMTZMNDJTHCWED-UHFFFAOYSA-N 0 0 463.556 0.779 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)ccc1F ZINC000591684543 1070687028 /nfs/dbraw/zinc/68/70/28/1070687028.db2.gz JSBFWIFHZGWENQ-UHFFFAOYSA-N 0 0 451.545 0.635 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCNS(C)(=O)=O ZINC000591684697 1070687002 /nfs/dbraw/zinc/68/70/02/1070687002.db2.gz UBTOKAQTMBDXIZ-UHFFFAOYSA-N 0 0 489.619 0.901 20 30 JCEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000592225419 1070703692 /nfs/dbraw/zinc/70/36/92/1070703692.db2.gz WGMRYSKQVYCGFJ-DYVFJYSZSA-N 0 0 450.496 0.218 20 30 JCEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000592225429 1069597288 /nfs/dbraw/zinc/59/72/88/1069597288.db2.gz WGMRYSKQVYCGFJ-GUYCJALGSA-N 0 0 450.496 0.218 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCCOC ZINC000592988067 1070706391 /nfs/dbraw/zinc/70/63/91/1070706391.db2.gz JJBCHWWGKYVUCK-UHFFFAOYSA-N 0 0 454.487 0.081 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000592988097 1070706695 /nfs/dbraw/zinc/70/66/95/1070706695.db2.gz LQHQTYXFNAHLBK-UHFFFAOYSA-N 0 0 450.499 0.941 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000592988122 1070706348 /nfs/dbraw/zinc/70/63/48/1070706348.db2.gz MHIHNVWCPGRJBY-UHFFFAOYSA-N 0 0 493.568 0.483 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000592988135 1070706469 /nfs/dbraw/zinc/70/64/69/1070706469.db2.gz NTQXRSYQZLRPCW-UHFFFAOYSA-N 0 0 466.498 0.177 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCCCOCC ZINC000592988206 1070706707 /nfs/dbraw/zinc/70/67/07/1070706707.db2.gz WENYJWOLBOHZQH-UHFFFAOYSA-N 0 0 482.541 0.861 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000592988250 1070706412 /nfs/dbraw/zinc/70/64/12/1070706412.db2.gz YTYAMHMDGKLUOU-UHFFFAOYSA-N 0 0 468.514 0.471 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCCOCC ZINC000592992203 1070707136 /nfs/dbraw/zinc/70/71/36/1070707136.db2.gz QCOYIEVQBLKNPT-UHFFFAOYSA-N 0 0 482.541 0.861 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC ZINC000592992531 1070706504 /nfs/dbraw/zinc/70/65/04/1070706504.db2.gz HTVJQRVQGNCSKB-UHFFFAOYSA-N 0 0 456.503 0.305 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccccc1 ZINC000592992714 1070707741 /nfs/dbraw/zinc/70/77/41/1070707741.db2.gz LAVCSWRNCRSEMD-UHFFFAOYSA-N 0 0 490.520 0.884 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000592992816 1070707656 /nfs/dbraw/zinc/70/76/56/1070707656.db2.gz DCBVXMMMEBIWDZ-UHFFFAOYSA-N 0 0 468.514 0.401 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCCOC ZINC000592992843 1070707551 /nfs/dbraw/zinc/70/75/51/1070707551.db2.gz IJFZISZFIJOZCV-UHFFFAOYSA-N 0 0 456.503 0.305 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000592992875 1070707607 /nfs/dbraw/zinc/70/76/07/1070707607.db2.gz MSAWGQUFVREJHL-UHFFFAOYSA-N 0 0 495.584 0.707 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000592993146 1070707113 /nfs/dbraw/zinc/70/71/13/1070707113.db2.gz DTSCPKXULNEIAI-INIZCTEOSA-N 0 0 498.540 0.074 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000592993150 1070707228 /nfs/dbraw/zinc/70/72/28/1070707228.db2.gz DTSCPKXULNEIAI-MRXNPFEDSA-N 0 0 498.540 0.074 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000592993163 1070707202 /nfs/dbraw/zinc/70/72/02/1070707202.db2.gz GMWQSAAUSQNFHC-INIZCTEOSA-N 0 0 480.525 0.614 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000592993167 1070707059 /nfs/dbraw/zinc/70/70/59/1070707059.db2.gz GMWQSAAUSQNFHC-MRXNPFEDSA-N 0 0 480.525 0.614 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000592993185 1070707091 /nfs/dbraw/zinc/70/70/91/1070707091.db2.gz IYKWUAPUTJOHLR-AWEZNQCLSA-N 0 0 454.487 0.058 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000592993186 1070707046 /nfs/dbraw/zinc/70/70/46/1070707046.db2.gz IYKWUAPUTJOHLR-CQSZACIVSA-N 0 0 454.487 0.058 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C ZINC000592993196 1070707188 /nfs/dbraw/zinc/70/71/88/1070707188.db2.gz KYRUJXOZTGRSIQ-UHFFFAOYSA-N 0 0 470.530 0.551 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000592993210 1070707167 /nfs/dbraw/zinc/70/71/67/1070707167.db2.gz MZTSTHZIHRDCFA-KRWDZBQOSA-N 0 0 494.552 0.934 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000592993211 1070707102 /nfs/dbraw/zinc/70/71/02/1070707102.db2.gz MZTSTHZIHRDCFA-QGZVFWFLSA-N 0 0 494.552 0.934 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C ZINC000592993215 1070707289 /nfs/dbraw/zinc/70/72/89/1070707289.db2.gz NIUQVTZJYMZNGW-HNNXBMFYSA-N 0 0 484.557 0.940 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C ZINC000592993216 1070707255 /nfs/dbraw/zinc/70/72/55/1070707255.db2.gz NIUQVTZJYMZNGW-OAHLLOKOSA-N 0 0 484.557 0.940 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C ZINC000592993222 1070707245 /nfs/dbraw/zinc/70/72/45/1070707245.db2.gz OQDOKSZQGJFTMV-UHFFFAOYSA-N 0 0 484.557 0.941 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000592993229 1070707127 /nfs/dbraw/zinc/70/71/27/1070707127.db2.gz SSVQODBKLYIHJG-INIZCTEOSA-N 0 0 482.541 0.836 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000592993230 1070707212 /nfs/dbraw/zinc/70/72/12/1070707212.db2.gz SSVQODBKLYIHJG-MRXNPFEDSA-N 0 0 482.541 0.836 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000592993236 1070707152 /nfs/dbraw/zinc/70/71/52/1070707152.db2.gz WAAWVXNPCVDKQJ-INIZCTEOSA-N 0 0 482.541 0.838 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000592993237 1070707305 /nfs/dbraw/zinc/70/73/05/1070707305.db2.gz WAAWVXNPCVDKQJ-MRXNPFEDSA-N 0 0 482.541 0.838 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000592993251 1070707031 /nfs/dbraw/zinc/70/70/31/1070707031.db2.gz ZCTYCRXIBLZOHE-UHFFFAOYSA-N 0 0 482.541 0.647 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000592993253 1070707275 /nfs/dbraw/zinc/70/72/75/1070707275.db2.gz ZJDIPDABJRUSKE-INIZCTEOSA-N 0 0 480.525 0.590 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000592993254 1070707077 /nfs/dbraw/zinc/70/70/77/1070707077.db2.gz ZJDIPDABJRUSKE-MRXNPFEDSA-N 0 0 480.525 0.590 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 ZINC000592993704 1070707781 /nfs/dbraw/zinc/70/77/81/1070707781.db2.gz DDDYQLXZVLDWTN-UHFFFAOYSA-N 0 0 468.514 0.620 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 ZINC000592993729 1070707632 /nfs/dbraw/zinc/70/76/32/1070707632.db2.gz USTBCSBMDNUQQU-UHFFFAOYSA-N 0 0 454.487 0.230 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 ZINC000592993731 1070707697 /nfs/dbraw/zinc/70/76/97/1070707697.db2.gz VOBVGIDCOGLGTQ-UHFFFAOYSA-N 0 0 466.498 0.326 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 ZINC000592993739 1070707687 /nfs/dbraw/zinc/70/76/87/1070707687.db2.gz YDVDGWVQTAGFMT-CYBMUJFWSA-N 0 0 468.514 0.619 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 ZINC000592993740 1070707534 /nfs/dbraw/zinc/70/75/34/1070707534.db2.gz YDVDGWVQTAGFMT-ZDUSSCGKSA-N 0 0 468.514 0.619 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000592993891 1070707710 /nfs/dbraw/zinc/70/77/10/1070707710.db2.gz ACXSYEMRNLWFPY-UHFFFAOYSA-N 0 0 498.540 0.610 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000592993910 1070707770 /nfs/dbraw/zinc/70/77/70/1070707770.db2.gz CGZUADXVHGZORH-UHFFFAOYSA-N 0 0 454.487 0.011 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC ZINC000592993913 1070707527 /nfs/dbraw/zinc/70/75/27/1070707527.db2.gz CYTCHHQWVCRZEZ-UHFFFAOYSA-N 0 0 470.530 0.695 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C ZINC000592993933 1070707664 /nfs/dbraw/zinc/70/76/64/1070707664.db2.gz HKUGXURFAHPDFN-UHFFFAOYSA-N 0 0 456.503 0.212 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000592993969 1070707644 /nfs/dbraw/zinc/70/76/44/1070707644.db2.gz NGFLTVCQKBGATF-UHFFFAOYSA-N 0 0 456.503 0.305 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000592993978 1070707565 /nfs/dbraw/zinc/70/75/65/1070707565.db2.gz PNLJSKSDEHKDJW-UHFFFAOYSA-N 0 0 481.557 0.317 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCCC(=O)OC ZINC000592993987 1070707588 /nfs/dbraw/zinc/70/75/88/1070707588.db2.gz RTFSVZFUVYOPOK-UHFFFAOYSA-N 0 0 496.524 0.388 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1Cc1ccccc1 ZINC000592994021 1070707598 /nfs/dbraw/zinc/70/75/98/1070707598.db2.gz UPDBBJRAJBRACJ-UHFFFAOYSA-N 0 0 460.494 0.927 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCCC(=O)OC ZINC000592994026 1070707726 /nfs/dbraw/zinc/70/77/26/1070707726.db2.gz VFFMQPJKPAKZFY-UHFFFAOYSA-N 0 0 498.540 0.612 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCCOC ZINC000592994043 1070707677 /nfs/dbraw/zinc/70/76/77/1070707677.db2.gz WVRSFKLPSNZVNG-UHFFFAOYSA-N 0 0 470.530 0.695 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000593279105 1067658323 /nfs/dbraw/zinc/65/83/23/1067658323.db2.gz RUTJOPYLLIICHD-UHFFFAOYSA-N 0 0 469.563 0.895 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1 ZINC000593279233 1067658232 /nfs/dbraw/zinc/65/82/32/1067658232.db2.gz VVTKHCHWRNBXGA-UHFFFAOYSA-N 0 0 457.552 0.751 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc1 ZINC000593279258 1067658215 /nfs/dbraw/zinc/65/82/15/1067658215.db2.gz XVHBPJNVWHKXIJ-UHFFFAOYSA-N 0 0 481.505 0.945 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)cc1 ZINC000593565297 1070710749 /nfs/dbraw/zinc/71/07/49/1070710749.db2.gz OBEXUCFSKJIABM-UHFFFAOYSA-N 0 0 455.500 0.724 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCC(=O)N3CCN(C(C)=O)CC3)n2c2ccccc2c1=O ZINC000593852037 1070713759 /nfs/dbraw/zinc/71/37/59/1070713759.db2.gz GZSKXMXBYLBNCA-UHFFFAOYSA-N 0 0 497.581 0.519 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O ZINC000593991600 1070717370 /nfs/dbraw/zinc/71/73/70/1070717370.db2.gz HHPBUXFGFMPVGY-UHFFFAOYSA-N 0 0 469.535 0.855 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O ZINC000593991837 1067752043 /nfs/dbraw/zinc/75/20/43/1067752043.db2.gz UWCFHJFRULIPFD-UHFFFAOYSA-N 0 0 469.425 0.788 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O ZINC000593991861 1067751952 /nfs/dbraw/zinc/75/19/52/1067751952.db2.gz WCHGTWHPFJVXSW-GFCCVEGCSA-N 0 0 469.535 0.855 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCNS(C)(=O)=O ZINC000593991862 1067751992 /nfs/dbraw/zinc/75/19/92/1067751992.db2.gz WCHGTWHPFJVXSW-LBPRGKRZSA-N 0 0 469.535 0.855 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000594346581 1070724757 /nfs/dbraw/zinc/72/47/57/1070724757.db2.gz DDOVUGKHPDQSOQ-UHFFFAOYSA-N 0 0 469.542 0.636 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCCN3C(=O)CNC3=O)n2c2ccccc2c1=O ZINC000594605141 1070727365 /nfs/dbraw/zinc/72/73/65/1070727365.db2.gz INHAIXSESCHHKK-UHFFFAOYSA-N 0 0 455.500 0.380 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1=O ZINC000596059712 1067642362 /nfs/dbraw/zinc/64/23/62/1067642362.db2.gz ZWAQJEZWATWGHQ-UHFFFAOYSA-N 0 0 453.499 0.087 20 30 JCEDRN C=CCN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596103649 1067642448 /nfs/dbraw/zinc/64/24/48/1067642448.db2.gz HHWCSDGEHBOILC-AWEZNQCLSA-N 0 0 483.510 0.993 20 30 JCEDRN C=CCN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596103654 1067642397 /nfs/dbraw/zinc/64/23/97/1067642397.db2.gz HHWCSDGEHBOILC-CQSZACIVSA-N 0 0 483.510 0.993 20 30 JCEDRN C=CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213544 1067646707 /nfs/dbraw/zinc/64/67/07/1067646707.db2.gz VISOMVPVZFRHTG-GHTZIAJQSA-N 0 0 473.603 0.543 20 30 JCEDRN C=CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213545 1067646429 /nfs/dbraw/zinc/64/64/29/1067646429.db2.gz VISOMVPVZFRHTG-NQIIRXRSSA-N 0 0 473.603 0.543 20 30 JCEDRN C=CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213546 1067646608 /nfs/dbraw/zinc/64/66/08/1067646608.db2.gz VISOMVPVZFRHTG-RXVVDRJESA-N 0 0 473.603 0.543 20 30 JCEDRN C=CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213547 1067646719 /nfs/dbraw/zinc/64/67/19/1067646719.db2.gz VISOMVPVZFRHTG-WIYYLYMNSA-N 0 0 473.603 0.543 20 30 JCEDRN C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000596229872 1067646500 /nfs/dbraw/zinc/64/65/00/1067646500.db2.gz SEKSYSVVYMHSIG-CYBMUJFWSA-N 0 0 468.499 0.948 20 30 JCEDRN C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000596229973 1067646599 /nfs/dbraw/zinc/64/65/99/1067646599.db2.gz SEKSYSVVYMHSIG-ZDUSSCGKSA-N 0 0 468.499 0.948 20 30 JCEDRN C=CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596337741 1067650287 /nfs/dbraw/zinc/65/02/87/1067650287.db2.gz OHBDSSYHSGBBJI-FQEVSTJZSA-N 0 0 482.589 0.214 20 30 JCEDRN C=CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596337742 1067650361 /nfs/dbraw/zinc/65/03/61/1067650361.db2.gz OHBDSSYHSGBBJI-HXUWFJFHSA-N 0 0 482.589 0.214 20 30 JCEDRN C=CCN(C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596508395 1067653346 /nfs/dbraw/zinc/65/33/46/1067653346.db2.gz MFGDALKXEYELFU-INIZCTEOSA-N 0 0 475.513 0.708 20 30 JCEDRN C=CCN(C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596508397 1067653283 /nfs/dbraw/zinc/65/32/83/1067653283.db2.gz MFGDALKXEYELFU-MRXNPFEDSA-N 0 0 475.513 0.708 20 30 JCEDRN C=CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596510906 1067653299 /nfs/dbraw/zinc/65/32/99/1067653299.db2.gz PIRJJHPUUFZVTM-HNNXBMFYSA-N 0 0 476.497 0.592 20 30 JCEDRN C=CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596510907 1067653375 /nfs/dbraw/zinc/65/33/75/1067653375.db2.gz PIRJJHPUUFZVTM-OAHLLOKOSA-N 0 0 476.497 0.592 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000596525251 1067654375 /nfs/dbraw/zinc/65/43/75/1067654375.db2.gz WYUOAXNEAOFNRS-UHFFFAOYSA-N 0 0 455.559 0.944 20 30 JCEDRN N#Cc1cc(C#N)c(SCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)nc1N ZINC000598659486 1067663215 /nfs/dbraw/zinc/66/32/15/1067663215.db2.gz UCHUZHJKZAILBW-UHFFFAOYSA-N 0 0 472.552 0.837 20 30 JCEDRN CN1C(=O)c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1=O ZINC000599952099 1067735190 /nfs/dbraw/zinc/73/51/90/1067735190.db2.gz LJAMQBWVELDLKB-UHFFFAOYSA-N 0 0 474.520 0.479 20 30 JCEDRN CN1C(=O)c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1=O ZINC000599998692 1067737039 /nfs/dbraw/zinc/73/70/39/1067737039.db2.gz NFHVUUVRQKEGNM-UHFFFAOYSA-N 0 0 474.520 0.479 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000600810959 1070511956 /nfs/dbraw/zinc/51/19/56/1070511956.db2.gz DGAQEGKFTQIRPL-KBAYOESNSA-N 0 0 458.540 0.955 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000600810967 1070511792 /nfs/dbraw/zinc/51/17/92/1070511792.db2.gz DGAQEGKFTQIRPL-NJAFHUGGSA-N 0 0 458.540 0.955 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000600810968 1070511487 /nfs/dbraw/zinc/51/14/87/1070511487.db2.gz DGAQEGKFTQIRPL-NXHRZFHOSA-N 0 0 458.540 0.955 20 30 JCEDRN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000600810969 1070511376 /nfs/dbraw/zinc/51/13/76/1070511376.db2.gz DGAQEGKFTQIRPL-RYQLBKOJSA-N 0 0 458.540 0.955 20 30 JCEDRN Cc1ccccc1[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000600842810 1070512020 /nfs/dbraw/zinc/51/20/20/1070512020.db2.gz RSWOTMXFDXFNGZ-HSZRJFAPSA-N 0 0 481.578 0.873 20 30 JCEDRN Cc1ccccc1[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000600842813 1070512051 /nfs/dbraw/zinc/51/20/51/1070512051.db2.gz RSWOTMXFDXFNGZ-QHCPKHFHSA-N 0 0 481.578 0.873 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000600877971 1070512601 /nfs/dbraw/zinc/51/26/01/1070512601.db2.gz MXBGWBUKMTUEAI-CEXWTWQISA-N 0 0 459.572 0.712 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000600877978 1070512697 /nfs/dbraw/zinc/51/26/97/1070512697.db2.gz MXBGWBUKMTUEAI-GBESFXJTSA-N 0 0 459.572 0.712 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000600877982 1070512559 /nfs/dbraw/zinc/51/25/59/1070512559.db2.gz MXBGWBUKMTUEAI-GUDVDZBRSA-N 0 0 459.572 0.712 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000600877986 1070512620 /nfs/dbraw/zinc/51/26/20/1070512620.db2.gz MXBGWBUKMTUEAI-IPMKNSEASA-N 0 0 459.572 0.712 20 30 JCEDRN N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000600878108 1070512760 /nfs/dbraw/zinc/51/27/60/1070512760.db2.gz OGJFXWSGYKBUBF-CEXWTWQISA-N 0 0 459.572 0.712 20 30 JCEDRN N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000600878110 1070512590 /nfs/dbraw/zinc/51/25/90/1070512590.db2.gz OGJFXWSGYKBUBF-GBESFXJTSA-N 0 0 459.572 0.712 20 30 JCEDRN N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000600878115 1070512610 /nfs/dbraw/zinc/51/26/10/1070512610.db2.gz OGJFXWSGYKBUBF-GUDVDZBRSA-N 0 0 459.572 0.712 20 30 JCEDRN N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000600878119 1070512718 /nfs/dbraw/zinc/51/27/18/1070512718.db2.gz OGJFXWSGYKBUBF-IPMKNSEASA-N 0 0 459.572 0.712 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000602246409 1067661459 /nfs/dbraw/zinc/66/14/59/1067661459.db2.gz NZARXGHJSJLSJE-UHFFFAOYSA-N 0 0 458.496 0.736 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000602251581 1067661380 /nfs/dbraw/zinc/66/13/80/1067661380.db2.gz DHPVZHSXSGNLBL-GASCZTMLSA-N 0 0 488.522 0.943 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000602251584 1067661283 /nfs/dbraw/zinc/66/12/83/1067661283.db2.gz DHPVZHSXSGNLBL-GJZGRUSLSA-N 0 0 488.522 0.943 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000602251585 1067661386 /nfs/dbraw/zinc/66/13/86/1067661386.db2.gz DHPVZHSXSGNLBL-HUUCEWRRSA-N 0 0 488.522 0.943 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 ZINC000602252133 1067661373 /nfs/dbraw/zinc/66/13/73/1067661373.db2.gz FHEJUBJCBZSUFO-IBGZPJMESA-N 0 0 466.450 0.017 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 ZINC000602252134 1067661261 /nfs/dbraw/zinc/66/12/61/1067661261.db2.gz FHEJUBJCBZSUFO-LJQANCHMSA-N 0 0 466.450 0.017 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 ZINC000602252173 1067661346 /nfs/dbraw/zinc/66/13/46/1067661346.db2.gz GGIWGWHURCNXRI-UHFFFAOYSA-N 0 0 496.904 0.832 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000602252197 1067661412 /nfs/dbraw/zinc/66/14/12/1067661412.db2.gz HDUNZWKQOOINHK-UHFFFAOYSA-N 0 0 498.561 0.918 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 ZINC000602252470 1067661876 /nfs/dbraw/zinc/66/18/76/1067661876.db2.gz JSYLNNMEXBPDFB-UHFFFAOYSA-N 0 0 490.494 0.175 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000602253018 1067662013 /nfs/dbraw/zinc/66/20/13/1067662013.db2.gz MAZJPTHIYKSKCE-UHFFFAOYSA-N 0 0 494.913 0.820 20 30 JCEDRN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C(=O)OC)cc(C#N)c3=O)CC2)cc1 ZINC000602253026 1067662042 /nfs/dbraw/zinc/66/20/42/1067662042.db2.gz MNMKYTRXPQQZFV-UHFFFAOYSA-N 0 0 488.522 0.438 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 ZINC000602253031 1067661953 /nfs/dbraw/zinc/66/19/53/1067661953.db2.gz MPUANVIUBQFDKR-UHFFFAOYSA-N 0 0 480.449 0.318 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000602253119 1067661863 /nfs/dbraw/zinc/66/18/63/1067661863.db2.gz PNZURGYXYPAQBL-UHFFFAOYSA-N 0 0 458.496 0.181 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000602253121 1067661919 /nfs/dbraw/zinc/66/19/19/1067661919.db2.gz PSDQPHIVFSEUAQ-UHFFFAOYSA-N 0 0 462.459 0.179 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000603093760 1067663230 /nfs/dbraw/zinc/66/32/30/1067663230.db2.gz PXOASOGXAWVANA-HNNXBMFYSA-N 0 0 456.528 0.927 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000603101928 1067663372 /nfs/dbraw/zinc/66/33/72/1067663372.db2.gz QTOJGNFLFYXLIQ-UHFFFAOYSA-N 0 0 458.544 0.494 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000603112065 1067663364 /nfs/dbraw/zinc/66/33/64/1067663364.db2.gz ISUKQMZSMUMQHN-UHFFFAOYSA-N 0 0 471.539 0.945 20 30 JCEDRN COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000603262895 1067664576 /nfs/dbraw/zinc/66/45/76/1067664576.db2.gz LDIFEZNTIKUBOI-PXNSSMCTSA-N 0 0 471.539 0.435 20 30 JCEDRN COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000603262896 1067664397 /nfs/dbraw/zinc/66/43/97/1067664397.db2.gz LDIFEZNTIKUBOI-XLIONFOSSA-N 0 0 471.539 0.435 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000603263821 1067664494 /nfs/dbraw/zinc/66/44/94/1067664494.db2.gz NUQACVAOPCSIET-UHFFFAOYSA-N 0 0 457.512 0.742 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000603263909 1067664574 /nfs/dbraw/zinc/66/45/74/1067664574.db2.gz ROXPVTRTWBHVGM-HKUYNNGSSA-N 0 0 459.503 0.565 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000603263913 1067664549 /nfs/dbraw/zinc/66/45/49/1067664549.db2.gz ROXPVTRTWBHVGM-MJGOQNOKSA-N 0 0 459.503 0.565 20 30 JCEDRN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000603436342 1067665648 /nfs/dbraw/zinc/66/56/48/1067665648.db2.gz BFHMLXJFSJPLGQ-UHFFFAOYSA-N 0 0 469.566 0.657 20 30 JCEDRN Cn1c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2oc1=O ZINC000603436386 1067665652 /nfs/dbraw/zinc/66/56/52/1067665652.db2.gz FVFXSXITDVVSTC-UHFFFAOYSA-N 0 0 462.509 0.698 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000603436520 1067665596 /nfs/dbraw/zinc/66/55/96/1067665596.db2.gz WLAJPIYULCPJBQ-UHFFFAOYSA-N 0 0 475.508 0.608 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000603438946 1067665668 /nfs/dbraw/zinc/66/56/68/1067665668.db2.gz XNILEMVDPNPKMX-UHFFFAOYSA-N 0 0 498.608 0.504 20 30 JCEDRN CN(CC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603440969 1067665602 /nfs/dbraw/zinc/66/56/02/1067665602.db2.gz QVDINEIDWVHSGP-UHFFFAOYSA-N 0 0 496.542 0.977 20 30 JCEDRN CN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603441047 1067665606 /nfs/dbraw/zinc/66/56/06/1067665606.db2.gz SBVWRAMFQJMLSD-DLBZAZTESA-N 0 0 455.558 0.373 20 30 JCEDRN CN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603441048 1067665655 /nfs/dbraw/zinc/66/56/55/1067665655.db2.gz SBVWRAMFQJMLSD-IAGOWNOFSA-N 0 0 455.558 0.373 20 30 JCEDRN CN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603441049 1067665646 /nfs/dbraw/zinc/66/56/46/1067665646.db2.gz SBVWRAMFQJMLSD-IRXDYDNUSA-N 0 0 455.558 0.373 20 30 JCEDRN CN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603441050 1067665658 /nfs/dbraw/zinc/66/56/58/1067665658.db2.gz SBVWRAMFQJMLSD-SJORKVTESA-N 0 0 455.558 0.373 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000603442266 1067665661 /nfs/dbraw/zinc/66/56/61/1067665661.db2.gz PTKYERFQRNULQR-GFCCVEGCSA-N 0 0 485.950 0.378 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000603442267 1067665666 /nfs/dbraw/zinc/66/56/66/1067665666.db2.gz PTKYERFQRNULQR-LBPRGKRZSA-N 0 0 485.950 0.378 20 30 JCEDRN CN(C)S(=O)(=O)c1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603444727 1067666163 /nfs/dbraw/zinc/66/61/63/1067666163.db2.gz TVZGIMMNXDXXNZ-UHFFFAOYSA-N 0 0 450.542 0.745 20 30 JCEDRN CN(CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603445944 1067668841 /nfs/dbraw/zinc/66/88/41/1067668841.db2.gz LOUOHYJRWMQTGK-UHFFFAOYSA-N 0 0 486.579 0.593 20 30 JCEDRN CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603446228 1067668712 /nfs/dbraw/zinc/66/87/12/1067668712.db2.gz HXWQCLFAILAAJT-UHFFFAOYSA-N 0 0 494.551 0.544 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000603448759 1067669407 /nfs/dbraw/zinc/66/94/07/1067669407.db2.gz AGCKCCHKSNQXDL-UHFFFAOYSA-N 0 0 462.553 0.511 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000603448785 1067669339 /nfs/dbraw/zinc/66/93/39/1067669339.db2.gz TZDKFHJYKMHGTN-UHFFFAOYSA-N 0 0 462.553 0.511 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC ZINC000603450433 1067669370 /nfs/dbraw/zinc/66/93/70/1067669370.db2.gz HNGMLGGEOYOXHN-UHFFFAOYSA-N 0 0 472.523 0.838 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000603454403 1067666860 /nfs/dbraw/zinc/66/68/60/1067666860.db2.gz MZMFITRFRWMQEV-UHFFFAOYSA-N 0 0 462.553 0.678 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000603454999 1067667287 /nfs/dbraw/zinc/66/72/87/1067667287.db2.gz GEPVTYBOPWNQGC-UHFFFAOYSA-N 0 0 466.516 0.509 20 30 JCEDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000603455050 1067667318 /nfs/dbraw/zinc/66/73/18/1067667318.db2.gz KLDHMTZJVOOOEF-UHFFFAOYSA-N 0 0 476.580 0.987 20 30 JCEDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC000603455082 1067666919 /nfs/dbraw/zinc/66/69/19/1067666919.db2.gz XZJUAXSEWKMXGG-UHFFFAOYSA-N 0 0 476.580 0.987 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000603455302 1067667019 /nfs/dbraw/zinc/66/70/19/1067667019.db2.gz DWOJNRHBRATIKJ-UHFFFAOYSA-N 0 0 478.552 0.378 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000603455351 1067666965 /nfs/dbraw/zinc/66/69/65/1067666965.db2.gz XVTVETNEBWQWON-UHFFFAOYSA-N 0 0 478.552 0.378 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1C ZINC000603456139 1067667865 /nfs/dbraw/zinc/66/78/65/1067667865.db2.gz CHUBWJYKJVZWFB-UHFFFAOYSA-N 0 0 476.580 0.987 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C ZINC000603456141 1067667802 /nfs/dbraw/zinc/66/78/02/1067667802.db2.gz FGNWKHHPKYGXQA-UHFFFAOYSA-N 0 0 476.580 0.987 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)COCC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000603457289 1067667874 /nfs/dbraw/zinc/66/78/74/1067667874.db2.gz IZKKPSAJAKMKHY-UHFFFAOYSA-N 0 0 474.525 0.234 20 30 JCEDRN CS(=O)(=O)N1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000603461998 1067668305 /nfs/dbraw/zinc/66/83/05/1067668305.db2.gz TUQDFYLTXLHWIO-UHFFFAOYSA-N 0 0 454.574 0.453 20 30 JCEDRN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000603463787 1067671451 /nfs/dbraw/zinc/67/14/51/1067671451.db2.gz BJNVTVFMGKQEOF-UHFFFAOYSA-N 0 0 484.581 0.162 20 30 JCEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000603464130 1067670907 /nfs/dbraw/zinc/67/09/07/1067670907.db2.gz QOBGNNFMNJDKCR-NRFANRHFSA-N 0 0 485.541 0.969 20 30 JCEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000603464131 1067671024 /nfs/dbraw/zinc/67/10/24/1067671024.db2.gz QOBGNNFMNJDKCR-OAQYLSRUSA-N 0 0 485.541 0.969 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)c1 ZINC000603464208 1067671459 /nfs/dbraw/zinc/67/14/59/1067671459.db2.gz PQAQIMDVUJXXGV-UHFFFAOYSA-N 0 0 454.512 0.036 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000603484085 1067672458 /nfs/dbraw/zinc/67/24/58/1067672458.db2.gz WKJCKBKXWBTKMR-UHFFFAOYSA-N 0 0 464.525 0.496 20 30 JCEDRN CSc1nc(C2CC2)cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1C#N ZINC000603489956 1067672369 /nfs/dbraw/zinc/67/23/69/1067672369.db2.gz CUXJHHWSKCMPPC-UHFFFAOYSA-N 0 0 451.574 0.887 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000603495290 1067672863 /nfs/dbraw/zinc/67/28/63/1067672863.db2.gz AFMDVCDAUVCZRL-UHFFFAOYSA-N 0 0 464.503 0.812 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603495293 1067672872 /nfs/dbraw/zinc/67/28/72/1067672872.db2.gz AOLGUVFBDKISSA-UHFFFAOYSA-N 0 0 476.514 0.893 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000603495303 1067672866 /nfs/dbraw/zinc/67/28/66/1067672866.db2.gz BKOFIGSZEKCGBW-UHFFFAOYSA-N 0 0 475.530 0.614 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603495305 1067672882 /nfs/dbraw/zinc/67/28/82/1067672882.db2.gz BODUKHDTIHWGGK-UHFFFAOYSA-N 0 0 452.492 0.716 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603495357 1067672867 /nfs/dbraw/zinc/67/28/67/1067672867.db2.gz FCWMKHPOEATCJV-HNNXBMFYSA-N 0 0 477.546 0.907 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603495359 1067672886 /nfs/dbraw/zinc/67/28/86/1067672886.db2.gz FCWMKHPOEATCJV-OAHLLOKOSA-N 0 0 477.546 0.907 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603495480 1067673929 /nfs/dbraw/zinc/67/39/29/1067673929.db2.gz JKTREPCRZGTEQW-UHFFFAOYSA-N 0 0 477.546 0.908 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000603495494 1067672894 /nfs/dbraw/zinc/67/28/94/1067672894.db2.gz KBIBBOQVHVWUJK-UHFFFAOYSA-N 0 0 475.530 0.614 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3csc(C)n3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000603495541 1067673365 /nfs/dbraw/zinc/67/33/65/1067673365.db2.gz NMBZHZWIABWWST-UHFFFAOYSA-N 0 0 495.586 0.984 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603495772 1067673317 /nfs/dbraw/zinc/67/33/17/1067673317.db2.gz QPZWFSNVJQGPRV-UHFFFAOYSA-N 0 0 463.519 0.518 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603496050 1067672860 /nfs/dbraw/zinc/67/28/60/1067672860.db2.gz XQMQVDNJFXQZIT-UHFFFAOYSA-N 0 0 477.546 0.908 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603496056 1067672880 /nfs/dbraw/zinc/67/28/80/1067672880.db2.gz XZWIREUAWVOOSA-UHFFFAOYSA-N 0 0 483.575 0.888 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000603496069 1067672892 /nfs/dbraw/zinc/67/28/92/1067672892.db2.gz ZDXIFTBPQRKWCD-UHFFFAOYSA-N 0 0 463.519 0.518 20 30 JCEDRN Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000603496180 1067672890 /nfs/dbraw/zinc/67/28/90/1067672890.db2.gz NTSBJWYXVJKVJT-HNNXBMFYSA-N 0 0 451.530 0.682 20 30 JCEDRN Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000603496181 1067672874 /nfs/dbraw/zinc/67/28/74/1067672874.db2.gz NTSBJWYXVJKVJT-OAHLLOKOSA-N 0 0 451.530 0.682 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000603496331 1067672857 /nfs/dbraw/zinc/67/28/57/1067672857.db2.gz UDBGFJXWJSCNCO-UHFFFAOYSA-N 0 0 480.543 0.899 20 30 JCEDRN N#CCCN(C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000603498081 1067673295 /nfs/dbraw/zinc/67/32/95/1067673295.db2.gz OMYZUEWEIOGXCG-UHFFFAOYSA-N 0 0 455.968 0.781 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1 ZINC000603500533 1067673374 /nfs/dbraw/zinc/67/33/74/1067673374.db2.gz MPFCDDFEUKHLOE-UHFFFAOYSA-N 0 0 461.525 0.946 20 30 JCEDRN COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000603502158 1067673305 /nfs/dbraw/zinc/67/33/05/1067673305.db2.gz MBYGKKFDGWNBIJ-UHFFFAOYSA-N 0 0 494.551 0.505 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000603504500 1067673708 /nfs/dbraw/zinc/67/37/08/1067673708.db2.gz JHGKKPGOCZYJGE-UHFFFAOYSA-N 0 0 482.515 0.635 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 ZINC000603505385 1067673952 /nfs/dbraw/zinc/67/39/52/1067673952.db2.gz GGVSHQCKVNDIEF-UHFFFAOYSA-N 0 0 488.570 0.829 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000603506977 1067673962 /nfs/dbraw/zinc/67/39/62/1067673962.db2.gz GBVJCJKYMOSKGH-UHFFFAOYSA-N 0 0 498.613 0.576 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000603506979 1067673873 /nfs/dbraw/zinc/67/38/73/1067673873.db2.gz IRSYYRFLRHJZJA-UHFFFAOYSA-N 0 0 498.613 0.576 20 30 JCEDRN Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc(C3CC3)nc21 ZINC000603507925 1067673937 /nfs/dbraw/zinc/67/39/37/1067673937.db2.gz LIRUDZFATVQNPS-UHFFFAOYSA-N 0 0 494.533 0.930 20 30 JCEDRN Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc(C3CC3)nc21 ZINC000603510735 1067673751 /nfs/dbraw/zinc/67/37/51/1067673751.db2.gz XPJQTHNQBIVGAW-UHFFFAOYSA-N 0 0 494.533 0.930 20 30 JCEDRN N#Cc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)cc1 ZINC000603514233 1067673935 /nfs/dbraw/zinc/67/39/35/1067673935.db2.gz SZIWJLDSQHQUFQ-UHFFFAOYSA-N 0 0 467.551 0.637 20 30 JCEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000603521368 1067675002 /nfs/dbraw/zinc/67/50/02/1067675002.db2.gz NRTJLOQYDKACEI-UHFFFAOYSA-N 0 0 456.524 0.968 20 30 JCEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000603521373 1067675019 /nfs/dbraw/zinc/67/50/19/1067675019.db2.gz NVVJANUPHDNHRS-UHFFFAOYSA-N 0 0 456.524 0.968 20 30 JCEDRN N#Cc1ccccc1CSCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000603549214 1067675023 /nfs/dbraw/zinc/67/50/23/1067675023.db2.gz BMBKUGSUZXJJFF-UHFFFAOYSA-N 0 0 453.590 0.696 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000603551131 1067676109 /nfs/dbraw/zinc/67/61/09/1067676109.db2.gz CIJLZPAMPZKZCP-UHFFFAOYSA-N 0 0 491.595 0.861 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(OC)cc1 ZINC000603552679 1067676656 /nfs/dbraw/zinc/67/66/56/1067676656.db2.gz GZYQHVMAKBFBSD-UHFFFAOYSA-N 0 0 467.551 0.356 20 30 JCEDRN COc1ccc(Cn2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCC(C)C)cc1 ZINC000603552691 1067676591 /nfs/dbraw/zinc/67/65/91/1067676591.db2.gz LZSWYLXVNFFIDW-UHFFFAOYSA-N 0 0 451.552 0.975 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(OC)cc1 ZINC000603552697 1067676577 /nfs/dbraw/zinc/67/65/77/1067676577.db2.gz PKOIOSXMOWPFEF-UHFFFAOYSA-N 0 0 481.578 0.746 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2Cc2ccc(OC)cc2)CC1 ZINC000603552703 1067676633 /nfs/dbraw/zinc/67/66/33/1067676633.db2.gz RJQOXYPUJJZBNO-UHFFFAOYSA-N 0 0 492.605 0.367 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CCN1CCOCC1 ZINC000603552731 1067676567 /nfs/dbraw/zinc/67/65/67/1067676567.db2.gz YGQHJVFFQFISLY-UHFFFAOYSA-N 0 0 483.413 0.315 20 30 JCEDRN COc1ccc(Cn2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000603552735 1067676630 /nfs/dbraw/zinc/67/66/30/1067676630.db2.gz YJOLASFJRSQSGB-UHFFFAOYSA-N 0 0 465.535 0.062 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 ZINC000603552969 1067676614 /nfs/dbraw/zinc/67/66/14/1067676614.db2.gz JLRRSHYEJUEDJA-UHFFFAOYSA-N 0 0 451.552 0.737 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(C)cc2)CC1 ZINC000603552974 1067676607 /nfs/dbraw/zinc/67/66/07/1067676607.db2.gz KUYQXHSTDLFIFA-UHFFFAOYSA-N 0 0 462.579 0.608 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1 ZINC000603553011 1067676013 /nfs/dbraw/zinc/67/60/13/1067676013.db2.gz YTVMNNNVPOEZOX-UHFFFAOYSA-N 0 0 451.552 0.987 20 30 JCEDRN CC(C)(C)CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000603555009 1067677034 /nfs/dbraw/zinc/67/70/34/1067677034.db2.gz KZJCRRZLGAAOAF-UHFFFAOYSA-N 0 0 475.615 0.972 20 30 JCEDRN CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000603555633 1067676969 /nfs/dbraw/zinc/67/69/69/1067676969.db2.gz WKSVTPUKJQRYSL-UHFFFAOYSA-N 0 0 451.368 0.846 20 30 JCEDRN CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000603555914 1067677027 /nfs/dbraw/zinc/67/70/27/1067677027.db2.gz NYOPQOHJTHNSOW-UHFFFAOYSA-N 0 0 477.952 0.067 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)NC(=O)NCC=C)n1C ZINC000603565501 1067678534 /nfs/dbraw/zinc/67/85/34/1067678534.db2.gz XIPPRWXARJRYMW-GHMZBOCLSA-N 0 0 455.566 0.800 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(S[C@@H](C)C(=O)NC(=O)NCC=C)n1C ZINC000603565508 1067678583 /nfs/dbraw/zinc/67/85/83/1067678583.db2.gz XIPPRWXARJRYMW-PHIMTYICSA-N 0 0 455.566 0.800 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)Sc1nnc(S[C@@H](C)C(=O)NC(=O)NCC=C)n1C ZINC000603565511 1068053846 /nfs/dbraw/zinc/05/38/46/1068053846.db2.gz XIPPRWXARJRYMW-QWRGUYRKSA-N 0 0 455.566 0.800 20 30 JCEDRN Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000603568288 1067678596 /nfs/dbraw/zinc/67/85/96/1067678596.db2.gz WZTIAMVQNKLLJU-UHFFFAOYSA-N 0 0 470.515 0.794 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)cc1 ZINC000603574371 1067677482 /nfs/dbraw/zinc/67/74/82/1067677482.db2.gz ZLTPLAAWTHWJMS-UHFFFAOYSA-N 0 0 494.551 0.319 20 30 JCEDRN CN(C)C(=O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000603580761 1067679112 /nfs/dbraw/zinc/67/91/12/1067679112.db2.gz PPGUNEOCLOFLQF-UHFFFAOYSA-N 0 0 455.519 0.161 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000603582676 1067679122 /nfs/dbraw/zinc/67/91/22/1067679122.db2.gz FTDIMVHNYGAFMP-UHFFFAOYSA-N 0 0 463.497 0.965 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000603586533 1068054011 /nfs/dbraw/zinc/05/40/11/1068054011.db2.gz RZIJBVDPUCCYCW-FQEVSTJZSA-N 0 0 455.540 0.863 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000603586535 1067680149 /nfs/dbraw/zinc/68/01/49/1067680149.db2.gz RZIJBVDPUCCYCW-HXUWFJFHSA-N 0 0 455.540 0.863 20 30 JCEDRN CN(CC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603586680 1067680535 /nfs/dbraw/zinc/68/05/35/1067680535.db2.gz XLKGJRRKDURKOA-NRFANRHFSA-N 0 0 455.540 0.550 20 30 JCEDRN CN(CC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603586681 1067680629 /nfs/dbraw/zinc/68/06/29/1067680629.db2.gz XLKGJRRKDURKOA-OAQYLSRUSA-N 0 0 455.540 0.550 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000603590370 1067680661 /nfs/dbraw/zinc/68/06/61/1067680661.db2.gz DBSZEGCZPJVSKO-UHFFFAOYSA-N 0 0 486.554 0.870 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000603591277 1067680460 /nfs/dbraw/zinc/68/04/60/1067680460.db2.gz RYAQIGPTSORYDB-UHFFFAOYSA-N 0 0 474.543 0.745 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000603591442 1067680544 /nfs/dbraw/zinc/68/05/44/1067680544.db2.gz HLYUYWXILFGVKU-UHFFFAOYSA-N 0 0 484.538 0.507 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000603591586 1067680440 /nfs/dbraw/zinc/68/04/40/1067680440.db2.gz VJKSBMYQLGOEBD-UHFFFAOYSA-N 0 0 488.570 0.965 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000603591870 1067680658 /nfs/dbraw/zinc/68/06/58/1067680658.db2.gz MMHVCHUUDGQOBF-UHFFFAOYSA-N 0 0 484.538 0.507 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000603591938 1067680606 /nfs/dbraw/zinc/68/06/06/1067680606.db2.gz QKLXRLUMUFKDEF-UHFFFAOYSA-N 0 0 461.500 1.000 20 30 JCEDRN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000603592264 1067680563 /nfs/dbraw/zinc/68/05/63/1067680563.db2.gz DZEHTCXZYCJEBS-UHFFFAOYSA-N 0 0 451.530 0.843 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000603592475 1067680493 /nfs/dbraw/zinc/68/04/93/1067680493.db2.gz WNJZUSHBRYWYSC-UHFFFAOYSA-N 0 0 472.483 0.328 20 30 JCEDRN Cn1c2ncn(CCC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)c2c(=O)n(C)c1=O ZINC000603594013 1067680521 /nfs/dbraw/zinc/68/05/21/1067680521.db2.gz YVUJDVXCYWMJMM-UHFFFAOYSA-N 0 0 475.513 0.212 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000603594152 1067680363 /nfs/dbraw/zinc/68/03/63/1067680363.db2.gz IWIPOVMCFKMDAJ-UHFFFAOYSA-N 0 0 462.532 0.973 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000603595404 1067681171 /nfs/dbraw/zinc/68/11/71/1067681171.db2.gz LVBNTOAKQAHQIR-UHFFFAOYSA-N 0 0 486.554 0.753 20 30 JCEDRN N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000603598290 1067682440 /nfs/dbraw/zinc/68/24/40/1067682440.db2.gz LCKQXEMDCJYWFN-UHFFFAOYSA-N 0 0 484.581 0.042 20 30 JCEDRN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000603604768 1067681023 /nfs/dbraw/zinc/68/10/23/1067681023.db2.gz FUQOTGZEDVKEQE-UHFFFAOYSA-N 0 0 451.530 0.283 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000603613944 1067682620 /nfs/dbraw/zinc/68/26/20/1067682620.db2.gz DLKQDDHJHLDZPP-UHFFFAOYSA-N 0 0 457.512 0.968 20 30 JCEDRN N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000603629086 1067683034 /nfs/dbraw/zinc/68/30/34/1067683034.db2.gz DMJJTMDHCQBRPC-UHFFFAOYSA-N 0 0 456.524 0.952 20 30 JCEDRN N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000603629103 1067683068 /nfs/dbraw/zinc/68/30/68/1067683068.db2.gz STDYKFPKQIHDRC-UHFFFAOYSA-N 0 0 456.524 0.952 20 30 JCEDRN CCOCCCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000603634595 1067684143 /nfs/dbraw/zinc/68/41/43/1067684143.db2.gz MXUJEXBGSQWYIU-UHFFFAOYSA-N 0 0 450.561 0.960 20 30 JCEDRN Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000603650641 1067685715 /nfs/dbraw/zinc/68/57/15/1067685715.db2.gz FTKVCIHEBFBSBB-KRWDZBQOSA-N 0 0 492.583 0.961 20 30 JCEDRN Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000603650642 1067685761 /nfs/dbraw/zinc/68/57/61/1067685761.db2.gz FTKVCIHEBFBSBB-QGZVFWFLSA-N 0 0 492.583 0.961 20 30 JCEDRN N#CCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000603650752 1067685622 /nfs/dbraw/zinc/68/56/22/1067685622.db2.gz PTNOOKHXTOSVGO-UHFFFAOYSA-N 0 0 463.541 0.938 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000603652088 1067686257 /nfs/dbraw/zinc/68/62/57/1067686257.db2.gz LAEGXJZIIDYQLA-UHFFFAOYSA-N 0 0 485.522 0.999 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCN(CC(F)(F)F)CC2)CC1 ZINC000603662139 1067686870 /nfs/dbraw/zinc/68/68/70/1067686870.db2.gz KEOADGHQAWQRIZ-UHFFFAOYSA-N 0 0 473.521 0.961 20 30 JCEDRN COc1c(F)cc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1S(N)(=O)=O ZINC000603663441 1067685643 /nfs/dbraw/zinc/68/56/43/1067685643.db2.gz BUFOZXABMJSSMJ-UHFFFAOYSA-N 0 0 496.542 0.429 20 30 JCEDRN COc1c(F)cc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O ZINC000603663606 1067685680 /nfs/dbraw/zinc/68/56/80/1067685680.db2.gz LTQMEGWFOQFPJL-UHFFFAOYSA-N 0 0 496.542 0.429 20 30 JCEDRN COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccc1OCC(=O)N(C)C ZINC000603666116 1067688017 /nfs/dbraw/zinc/68/80/17/1067688017.db2.gz QUIQHPHWTFRHIL-UHFFFAOYSA-N 0 0 474.539 0.971 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000603666366 1067688061 /nfs/dbraw/zinc/68/80/61/1067688061.db2.gz IFQVGFKEWBDULB-UHFFFAOYSA-N 0 0 491.551 0.251 20 30 JCEDRN C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)C1CCN(c2ccccn2)CC1 ZINC000603669792 1067687435 /nfs/dbraw/zinc/68/74/35/1067687435.db2.gz ZIEVYBRTIXJSSF-UHFFFAOYSA-N 0 0 457.535 0.376 20 30 JCEDRN CCCC(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000603682326 1067688337 /nfs/dbraw/zinc/68/83/37/1067688337.db2.gz HTEJXXWFWAOSFV-UHFFFAOYSA-N 0 0 461.588 0.772 20 30 JCEDRN Cc1csc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)n1 ZINC000603683504 1067688507 /nfs/dbraw/zinc/68/85/07/1067688507.db2.gz LBHWAKLLPBDZOO-UHFFFAOYSA-N 0 0 474.612 0.978 20 30 JCEDRN Cn1cccc1C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000603684131 1067688884 /nfs/dbraw/zinc/68/88/84/1067688884.db2.gz UOCCGJNLCWWXGJ-UHFFFAOYSA-N 0 0 484.582 0.188 20 30 JCEDRN Cn1c2ncc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2c(=O)n(C)c1=O ZINC000603685461 1067688960 /nfs/dbraw/zinc/68/89/60/1067688960.db2.gz SCOXCFWTSTUIGV-UHFFFAOYSA-N 0 0 450.459 0.723 20 30 JCEDRN Cn1c2ncc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2c(=O)n(C)c1=O ZINC000603685589 1067688980 /nfs/dbraw/zinc/68/89/80/1067688980.db2.gz HOWYGWLYTIMMNQ-UHFFFAOYSA-N 0 0 483.510 0.042 20 30 JCEDRN Cn1c2ncc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2c(=O)n(C)c1=O ZINC000603685670 1067688991 /nfs/dbraw/zinc/68/89/91/1067688991.db2.gz UFOKLWJKRNDNIS-UHFFFAOYSA-N 0 0 483.510 0.042 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000603688086 1067689359 /nfs/dbraw/zinc/68/93/59/1067689359.db2.gz ZOHKVNLOUBENND-UHFFFAOYSA-N 0 0 499.549 0.928 20 30 JCEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000603697326 1067690406 /nfs/dbraw/zinc/69/04/06/1067690406.db2.gz CWYRRDGPVAMXDV-UHFFFAOYSA-N 0 0 454.516 0.997 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000603715161 1067694805 /nfs/dbraw/zinc/69/48/05/1067694805.db2.gz FMNHXVPQSCVFGN-UHFFFAOYSA-N 0 0 458.496 0.843 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1Cl ZINC000603716856 1067692911 /nfs/dbraw/zinc/69/29/11/1067692911.db2.gz BKSBMODETAXCEY-UHFFFAOYSA-N 0 0 476.946 0.813 20 30 JCEDRN N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1Cl ZINC000603716872 1067692814 /nfs/dbraw/zinc/69/28/14/1067692814.db2.gz FWVMRXSIQOYSKL-UHFFFAOYSA-N 0 0 476.946 0.813 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000603721216 1067693841 /nfs/dbraw/zinc/69/38/41/1067693841.db2.gz ZINLISNYDMFQCG-CYBMUJFWSA-N 0 0 476.433 0.247 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000603721217 1067693861 /nfs/dbraw/zinc/69/38/61/1067693861.db2.gz ZINLISNYDMFQCG-ZDUSSCGKSA-N 0 0 476.433 0.247 20 30 JCEDRN N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000603721218 1067693817 /nfs/dbraw/zinc/69/38/17/1067693817.db2.gz ZRCGOIRHLGGHPN-IBGZPJMESA-N 0 0 484.534 0.885 20 30 JCEDRN N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000603721219 1067693830 /nfs/dbraw/zinc/69/38/30/1067693830.db2.gz ZRCGOIRHLGGHPN-LJQANCHMSA-N 0 0 484.534 0.885 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1=O ZINC000603723969 1067694337 /nfs/dbraw/zinc/69/43/37/1067694337.db2.gz AIYIWFSEWUUJOH-UHFFFAOYSA-N 0 0 452.515 0.301 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1=O ZINC000603724278 1067694433 /nfs/dbraw/zinc/69/44/33/1067694433.db2.gz NEDXSKNVHATZQN-UHFFFAOYSA-N 0 0 492.458 0.703 20 30 JCEDRN CCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000603724403 1067694385 /nfs/dbraw/zinc/69/43/85/1067694385.db2.gz RNMBOYBZFKBOEV-UHFFFAOYSA-N 0 0 479.497 0.238 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1=O ZINC000603724429 1067694327 /nfs/dbraw/zinc/69/43/27/1067694327.db2.gz WAKHZJSWEGLTAZ-UHFFFAOYSA-N 0 0 459.507 0.091 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)c1=O ZINC000603724440 1067694409 /nfs/dbraw/zinc/69/44/09/1067694409.db2.gz YEZYVIOHYUCKQW-UHFFFAOYSA-N 0 0 455.515 0.572 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1=O ZINC000603724444 1067694373 /nfs/dbraw/zinc/69/43/73/1067694373.db2.gz YIADWZQRAAZZIQ-UHFFFAOYSA-N 0 0 493.524 0.484 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)CC2)o1 ZINC000603724713 1067694389 /nfs/dbraw/zinc/69/43/89/1067694389.db2.gz VWIJKFPVEMBGBW-UHFFFAOYSA-N 0 0 477.403 0.631 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000603733389 1067696163 /nfs/dbraw/zinc/69/61/63/1067696163.db2.gz ULHKQRCTFOSIDW-UHFFFAOYSA-N 0 0 471.564 0.887 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 ZINC000603733617 1067696211 /nfs/dbraw/zinc/69/62/11/1067696211.db2.gz HQHDYNKIIRDNBK-UHFFFAOYSA-N 0 0 491.591 0.951 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)c1cccnc1 ZINC000603734106 1067696301 /nfs/dbraw/zinc/69/63/01/1067696301.db2.gz OOAOYNJKAWIJFK-UHFFFAOYSA-N 0 0 463.541 0.107 20 30 JCEDRN CN1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000603739835 1067695245 /nfs/dbraw/zinc/69/52/45/1067695245.db2.gz KKJSUPZOUDNURU-NRFANRHFSA-N 0 0 473.599 0.724 20 30 JCEDRN CN1CCN(C(=O)[C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000603739836 1067695298 /nfs/dbraw/zinc/69/52/98/1067695298.db2.gz KKJSUPZOUDNURU-OAQYLSRUSA-N 0 0 473.599 0.724 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000603741365 1067695780 /nfs/dbraw/zinc/69/57/80/1067695780.db2.gz RMZRTHKGCVXMBI-UHFFFAOYSA-N 0 0 476.536 0.232 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000603742871 1067695823 /nfs/dbraw/zinc/69/58/23/1067695823.db2.gz RJIDEYOHYOHITC-UHFFFAOYSA-N 0 0 462.553 0.469 20 30 JCEDRN CN(CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603743534 1067695818 /nfs/dbraw/zinc/69/58/18/1067695818.db2.gz KEVOGHHMORJHLP-UHFFFAOYSA-N 0 0 469.523 0.067 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCSCc3ccccc3C#N)CC2)CC1 ZINC000603748059 1067696837 /nfs/dbraw/zinc/69/68/37/1067696837.db2.gz HBXFPSFCHVOAAR-UHFFFAOYSA-N 0 0 466.633 0.611 20 30 JCEDRN CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 ZINC000603778308 1067697396 /nfs/dbraw/zinc/69/73/96/1067697396.db2.gz VRIWSPUBQZPMLR-UHFFFAOYSA-N 0 0 468.582 0.951 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CC1 ZINC000603779034 1067697099 /nfs/dbraw/zinc/69/70/99/1067697099.db2.gz PTEPRNIUCKNMHJ-UHFFFAOYSA-N 0 0 479.518 0.663 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000603781581 1067697435 /nfs/dbraw/zinc/69/74/35/1067697435.db2.gz AZEAQQKQHMEHGM-UHFFFAOYSA-N 0 0 466.541 0.611 20 30 JCEDRN C=CCOc1ccc(C=c2sc(=CC(=O)OCC)n(CC(=O)N3CCOCC3)c2=O)cc1 ZINC000603783724 1067697881 /nfs/dbraw/zinc/69/78/81/1067697881.db2.gz ALYUSJKWXJDUQM-UHFFFAOYSA-N 0 0 458.536 0.506 20 30 JCEDRN C=CCOc1ccccc1C=c1sc(=CC(=O)OCC)n(CC(=O)N2CCOCC2)c1=O ZINC000603783745 1067697921 /nfs/dbraw/zinc/69/79/21/1067697921.db2.gz CLTLPBIQKAIYTA-UHFFFAOYSA-N 0 0 458.536 0.506 20 30 JCEDRN C=CCOc1cccc(C=c2sc(=CC(=O)OCC)n(CC(=O)N3CCOCC3)c2=O)c1 ZINC000603783757 1067697924 /nfs/dbraw/zinc/69/79/24/1067697924.db2.gz DQVGQVMMTDVIFS-UHFFFAOYSA-N 0 0 458.536 0.506 20 30 JCEDRN C=CCOc1ccc(C=c2sc(=CC(=O)OCC)n(CC(=O)N3CCOCC3)c2=O)cc1OC ZINC000603783929 1067698454 /nfs/dbraw/zinc/69/84/54/1067698454.db2.gz TWZWGVHDBSJRDD-UHFFFAOYSA-N 0 0 488.562 0.514 20 30 JCEDRN COCCN(C(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000603784539 1067698355 /nfs/dbraw/zinc/69/83/55/1067698355.db2.gz MGPOBDGLTOPUEA-UHFFFAOYSA-N 0 0 497.600 0.856 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 ZINC000603786325 1067707396 /nfs/dbraw/zinc/70/73/96/1067707396.db2.gz JLLJMHDMORBUIT-UHFFFAOYSA-N 0 0 478.549 0.990 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1 ZINC000603786396 1067707501 /nfs/dbraw/zinc/70/75/01/1067707501.db2.gz AWJPFEWTTJIXRB-UHFFFAOYSA-N 0 0 450.520 0.443 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1 ZINC000603786407 1067707478 /nfs/dbraw/zinc/70/74/78/1067707478.db2.gz BSHFDNQBTLFMAR-UHFFFAOYSA-N 0 0 463.515 0.951 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)cc1 ZINC000603786470 1067707445 /nfs/dbraw/zinc/70/74/45/1067707445.db2.gz CUXMXRTXMFZSTR-UHFFFAOYSA-N 0 0 490.585 0.859 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(-c2ccccc2)c1=O ZINC000603786519 1067707529 /nfs/dbraw/zinc/70/75/29/1067707529.db2.gz DLNIWHQFUAJKGD-UHFFFAOYSA-N 0 0 490.585 0.859 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NC2CC2)c1 ZINC000603786671 1067707470 /nfs/dbraw/zinc/70/74/70/1067707470.db2.gz FHDHCZIJBFBHGV-UHFFFAOYSA-N 0 0 495.586 0.326 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1C ZINC000603786748 1067707486 /nfs/dbraw/zinc/70/74/86/1067707486.db2.gz RWMDJAXJMOTGRL-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1 ZINC000603786786 1067707493 /nfs/dbraw/zinc/70/74/93/1067707493.db2.gz NOTVEDFKYPQULQ-UHFFFAOYSA-N 0 0 468.510 0.583 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1C ZINC000603787007 1067707414 /nfs/dbraw/zinc/70/74/14/1067707414.db2.gz TULFUSAEFQJPKN-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000603787013 1067707551 /nfs/dbraw/zinc/70/75/51/1067707551.db2.gz JDWOPOWZEJAXQA-UHFFFAOYSA-N 0 0 497.602 0.572 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1 ZINC000603787189 1067707516 /nfs/dbraw/zinc/70/75/16/1067707516.db2.gz IRXIRPUCSAUVAS-UHFFFAOYSA-N 0 0 466.588 0.912 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000603787211 1067707538 /nfs/dbraw/zinc/70/75/38/1067707538.db2.gz LQNZDHJQJHYSLT-UHFFFAOYSA-N 0 0 495.586 0.350 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)o1 ZINC000603787214 1067707509 /nfs/dbraw/zinc/70/75/09/1067707509.db2.gz JIYCBBJBUCGEDO-UHFFFAOYSA-N 0 0 464.547 0.752 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccc(F)cc3)c2=O)o1 ZINC000603787272 1067707425 /nfs/dbraw/zinc/70/74/25/1067707425.db2.gz UZTCRFLBAGNADQ-UHFFFAOYSA-N 0 0 482.537 0.891 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000603787866 1067707884 /nfs/dbraw/zinc/70/78/84/1067707884.db2.gz QLPNVIHHILORHX-UHFFFAOYSA-N 0 0 494.598 0.955 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1 ZINC000603788010 1067707940 /nfs/dbraw/zinc/70/79/40/1067707940.db2.gz OSZPGFXQGHFDPN-UHFFFAOYSA-N 0 0 461.547 0.245 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000603788024 1067707406 /nfs/dbraw/zinc/70/74/06/1067707406.db2.gz PHCFOCRZTHISMB-UHFFFAOYSA-N 0 0 460.559 0.850 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(Cl)c1 ZINC000603788094 1067707934 /nfs/dbraw/zinc/70/79/34/1067707934.db2.gz GUPWFQRXTVMFJO-UHFFFAOYSA-N 0 0 495.992 0.899 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000603788307 1067707461 /nfs/dbraw/zinc/70/74/61/1067707461.db2.gz CGTRTAWFMWNQML-UHFFFAOYSA-N 0 0 464.547 0.752 20 30 JCEDRN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000603788484 1067707523 /nfs/dbraw/zinc/70/75/23/1067707523.db2.gz YRCJKGKGSMAOOC-UHFFFAOYSA-N 0 0 452.514 0.562 20 30 JCEDRN Cc1ccc(C)c(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000603788680 1067707455 /nfs/dbraw/zinc/70/74/55/1067707455.db2.gz YTVJCCLZFWHPFQ-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN Cc1ccc(C)c(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000603788685 1067707434 /nfs/dbraw/zinc/70/74/34/1067707434.db2.gz ZEVWZUYCERQAIA-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1 ZINC000603788727 1067707544 /nfs/dbraw/zinc/70/75/44/1067707544.db2.gz WCAMHPLMLJKVEF-UHFFFAOYSA-N 0 0 478.549 0.990 20 30 JCEDRN Cc1cc(C)cc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000603789067 1067707834 /nfs/dbraw/zinc/70/78/34/1067707834.db2.gz QJNWPRFFENMAJY-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000603789446 1067707906 /nfs/dbraw/zinc/70/79/06/1067707906.db2.gz SGVBMTCVSDBLBL-UHFFFAOYSA-N 0 0 475.574 0.554 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000603789759 1067707774 /nfs/dbraw/zinc/70/77/74/1067707774.db2.gz BQPFVKCJUTYYIP-UHFFFAOYSA-N 0 0 495.992 0.899 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000603789857 1067707852 /nfs/dbraw/zinc/70/78/52/1067707852.db2.gz ZEDGJLKPWMKTIU-UHFFFAOYSA-N 0 0 475.574 0.554 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccccc1 ZINC000603790089 1067707873 /nfs/dbraw/zinc/70/78/73/1067707873.db2.gz CUZPCWTWGUSAML-UHFFFAOYSA-N 0 0 475.574 0.305 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)cc1 ZINC000603790101 1067707849 /nfs/dbraw/zinc/70/78/49/1067707849.db2.gz JOPMBHPGUCNREY-UHFFFAOYSA-N 0 0 495.992 0.899 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(Cc3ccccc3)c2=O)o1 ZINC000603790185 1067707920 /nfs/dbraw/zinc/70/79/20/1067707920.db2.gz GPIZJTHUAWBLPT-UHFFFAOYSA-N 0 0 478.574 0.811 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c(C)c1 ZINC000603790247 1067707858 /nfs/dbraw/zinc/70/78/58/1067707858.db2.gz VCYYWRGHWPKENK-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c(C)c1 ZINC000603790294 1067707866 /nfs/dbraw/zinc/70/78/66/1067707866.db2.gz XWVVAQMHPJAQFO-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccccc1 ZINC000603790537 1067707825 /nfs/dbraw/zinc/70/78/25/1067707825.db2.gz JVQFPWXAAPBPGI-UHFFFAOYSA-N 0 0 475.574 0.305 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000603790956 1067707842 /nfs/dbraw/zinc/70/78/42/1067707842.db2.gz JACFSSUOJGNYEY-UHFFFAOYSA-N 0 0 489.601 0.808 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccccc1 ZINC000603791091 1067707894 /nfs/dbraw/zinc/70/78/94/1067707894.db2.gz VPWTUVKNQOVBSY-UHFFFAOYSA-N 0 0 464.547 0.503 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000603791273 1067707808 /nfs/dbraw/zinc/70/78/08/1067707808.db2.gz OPYAUTVMLGTHQT-UHFFFAOYSA-N 0 0 489.601 0.808 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccccc1 ZINC000603791368 1067707815 /nfs/dbraw/zinc/70/78/15/1067707815.db2.gz XVURQOZHPVUXSV-UHFFFAOYSA-N 0 0 480.615 0.971 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccccc1 ZINC000603791448 1067707797 /nfs/dbraw/zinc/70/77/97/1067707797.db2.gz ZQMJXQJYRLHTRD-UHFFFAOYSA-N 0 0 480.615 0.971 20 30 JCEDRN COc1ccccc1-n1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603791680 1067707913 /nfs/dbraw/zinc/70/79/13/1067707913.db2.gz CYQLEAVAUHOSDZ-UHFFFAOYSA-N 0 0 496.614 0.921 20 30 JCEDRN COc1ccccc1-n1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603791759 1067707928 /nfs/dbraw/zinc/70/79/28/1067707928.db2.gz GRRHQTNEMCDMHE-UHFFFAOYSA-N 0 0 491.573 0.254 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000603792057 1067698992 /nfs/dbraw/zinc/69/89/92/1067698992.db2.gz IOLWFAOEAWDKNK-UHFFFAOYSA-N 0 0 475.574 0.554 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccccc2OC)CC1 ZINC000603792170 1067698940 /nfs/dbraw/zinc/69/89/40/1067698940.db2.gz HYGNLRDHVVKSPM-UHFFFAOYSA-N 0 0 475.574 0.970 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1OC ZINC000603792345 1067699003 /nfs/dbraw/zinc/69/90/03/1067699003.db2.gz MCQXDCSTBCQNML-UHFFFAOYSA-N 0 0 450.520 0.958 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)NCCOC ZINC000603792377 1067698961 /nfs/dbraw/zinc/69/89/61/1067698961.db2.gz BJVWBJMBESLYJT-UHFFFAOYSA-N 0 0 459.524 0.387 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792399 1068055999 /nfs/dbraw/zinc/05/59/99/1068055999.db2.gz CWWSPCNZPZJXOG-UHFFFAOYSA-N 0 0 454.552 0.056 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OC)c2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792460 1067698975 /nfs/dbraw/zinc/69/89/75/1067698975.db2.gz FISBQZWOGBMXKW-UHFFFAOYSA-N 0 0 484.578 0.064 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603792687 1067708429 /nfs/dbraw/zinc/70/84/29/1067708429.db2.gz BBBLPWPRZFQPFS-UHFFFAOYSA-N 0 0 466.563 0.550 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603792713 1067708386 /nfs/dbraw/zinc/70/83/86/1067708386.db2.gz BLNNUFLLPPLEMX-UHFFFAOYSA-N 0 0 465.579 0.721 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)ccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792714 1067708147 /nfs/dbraw/zinc/70/81/47/1067708147.db2.gz JGFQNODNDNCTCR-UHFFFAOYSA-N 0 0 452.580 0.664 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2OCC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792719 1067708099 /nfs/dbraw/zinc/70/80/99/1067708099.db2.gz JPYZSRLSCGZFGD-UHFFFAOYSA-N 0 0 468.579 0.446 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000603792728 1067708092 /nfs/dbraw/zinc/70/80/92/1067708092.db2.gz JXNVEAQWNCKYGJ-UHFFFAOYSA-N 0 0 465.478 0.971 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000603792744 1067708221 /nfs/dbraw/zinc/70/82/21/1067708221.db2.gz KCUXSJPYSPNVIT-UHFFFAOYSA-N 0 0 459.524 0.387 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792787 1067708264 /nfs/dbraw/zinc/70/82/64/1067708264.db2.gz LPTFDZJKXWJMGA-UHFFFAOYSA-N 0 0 458.971 0.701 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603792812 1067698950 /nfs/dbraw/zinc/69/89/50/1067698950.db2.gz FJMTUXSPPDDTAD-UHFFFAOYSA-N 0 0 498.605 0.789 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OCC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603792842 1067698987 /nfs/dbraw/zinc/69/89/87/1067698987.db2.gz GSCKQVJFKJKPFV-UHFFFAOYSA-N 0 0 455.536 0.865 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792858 1067698916 /nfs/dbraw/zinc/69/89/16/1067698916.db2.gz MEGOGPCMBFYNPN-UHFFFAOYSA-N 0 0 454.552 0.056 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)cc2OC)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603792902 1067698982 /nfs/dbraw/zinc/69/89/82/1067698982.db2.gz HCWWUTQTJFIDDQ-UHFFFAOYSA-N 0 0 468.579 0.780 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(CC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792920 1067699459 /nfs/dbraw/zinc/69/94/59/1067699459.db2.gz OVODWRRRLHOWLW-UHFFFAOYSA-N 0 0 452.580 0.610 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792942 1067699462 /nfs/dbraw/zinc/69/94/62/1067699462.db2.gz PMLKZQWWZMBURP-UHFFFAOYSA-N 0 0 484.578 0.064 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(Br)c(O)c(OC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000603792951 1067699984 /nfs/dbraw/zinc/69/99/84/1067699984.db2.gz PTLFRBKIOKDTEI-UHFFFAOYSA-N 0 0 494.367 0.838 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)cc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792959 1067700002 /nfs/dbraw/zinc/70/00/02/1067700002.db2.gz PYWDGZGVBLCMPC-UHFFFAOYSA-N 0 0 484.578 0.064 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603792999 1067700139 /nfs/dbraw/zinc/70/01/39/1067700139.db2.gz IIFWSGVRIJSNQU-UHFFFAOYSA-N 0 0 453.524 0.671 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603793119 1067699512 /nfs/dbraw/zinc/69/95/12/1067699512.db2.gz KZXHORGVISBXEJ-UHFFFAOYSA-N 0 0 471.535 0.483 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793170 1067699387 /nfs/dbraw/zinc/69/93/87/1067699387.db2.gz RZIATVVSHGXNFL-UHFFFAOYSA-N 0 0 460.506 0.325 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793229 1067699421 /nfs/dbraw/zinc/69/94/21/1067699421.db2.gz SYBKUVZQWAFYMQ-UHFFFAOYSA-N 0 0 458.971 0.701 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793244 1067699413 /nfs/dbraw/zinc/69/94/13/1067699413.db2.gz UDNRAVZZHPWCOI-UHFFFAOYSA-N 0 0 475.574 0.595 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793258 1067699510 /nfs/dbraw/zinc/69/95/10/1067699510.db2.gz UFWQBABOKQXTLC-UHFFFAOYSA-N 0 0 490.532 0.649 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603793272 1067699480 /nfs/dbraw/zinc/69/94/80/1067699480.db2.gz MWJQZUMJVRFBNE-UHFFFAOYSA-N 0 0 453.524 0.671 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793287 1067699395 /nfs/dbraw/zinc/69/93/95/1067699395.db2.gz UYXUNOSQCDYEDZ-UHFFFAOYSA-N 0 0 458.971 0.701 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1OC ZINC000603793308 1067699452 /nfs/dbraw/zinc/69/94/52/1067699452.db2.gz VMSGMIJHGRHMMR-UHFFFAOYSA-N 0 0 493.541 0.960 20 30 JCEDRN COc1ccccc1-n1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793320 1067699399 /nfs/dbraw/zinc/69/93/99/1067699399.db2.gz WEOOIQZEQANODK-UHFFFAOYSA-N 0 0 496.614 0.921 20 30 JCEDRN C=CCn1c(=O)c(=Cc2c(F)cccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793377 1067699372 /nfs/dbraw/zinc/69/93/72/1067699372.db2.gz WYWRXPGCXZZKTF-UHFFFAOYSA-N 0 0 460.506 0.325 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603793389 1067699497 /nfs/dbraw/zinc/69/94/97/1067699497.db2.gz OALXAFWRISKOTM-UHFFFAOYSA-N 0 0 453.524 0.671 20 30 JCEDRN COc1ccccc1-n1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793395 1067699444 /nfs/dbraw/zinc/69/94/44/1067699444.db2.gz YTHYBMAZOJEZAC-UHFFFAOYSA-N 0 0 490.585 0.859 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793568 1067699491 /nfs/dbraw/zinc/69/94/91/1067699491.db2.gz ZCGDBQYXFZTIDW-UHFFFAOYSA-N 0 0 454.552 0.056 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OCC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793583 1067699405 /nfs/dbraw/zinc/69/94/05/1067699405.db2.gz ZOBIENOOPJPMLV-UHFFFAOYSA-N 0 0 468.579 0.446 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(SC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603793584 1067699440 /nfs/dbraw/zinc/69/94/40/1067699440.db2.gz ZOHZXQPJSSTQAD-UHFFFAOYSA-N 0 0 470.620 0.769 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603793620 1067699380 /nfs/dbraw/zinc/69/93/80/1067699380.db2.gz RTMGNKZOEYBKFV-UHFFFAOYSA-N 0 0 498.605 0.789 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603793666 1067698882 /nfs/dbraw/zinc/69/88/82/1067698882.db2.gz VGLFWTDZBCEHPG-UHFFFAOYSA-N 0 0 471.535 0.483 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603793687 1067699504 /nfs/dbraw/zinc/69/95/04/1067699504.db2.gz WCHLHCIFHZCQTK-UHFFFAOYSA-N 0 0 468.579 0.780 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OC)c2OC)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603793688 1067699467 /nfs/dbraw/zinc/69/94/67/1067699467.db2.gz WETJPBAUJQUKFI-UHFFFAOYSA-N 0 0 468.579 0.780 20 30 JCEDRN COc1ccc(CCn2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000603793814 1067700435 /nfs/dbraw/zinc/70/04/35/1067700435.db2.gz AUMOBAWFOIYZMA-UHFFFAOYSA-N 0 0 476.558 0.918 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000603794017 1067699964 /nfs/dbraw/zinc/69/99/64/1067699964.db2.gz GIBBGFSLQZDTCV-UHFFFAOYSA-N 0 0 494.573 0.842 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccc(OC)cc1 ZINC000603794094 1067700037 /nfs/dbraw/zinc/70/00/37/1067700037.db2.gz JRABSQRSMPIKJT-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603794242 1067700021 /nfs/dbraw/zinc/70/00/21/1067700021.db2.gz AYIIRVHGVRYFOI-UHFFFAOYSA-N 0 0 455.540 0.895 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603794268 1067700052 /nfs/dbraw/zinc/70/00/52/1067700052.db2.gz CJNOTGOLCCBPNJ-UHFFFAOYSA-N 0 0 473.551 0.707 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603794300 1067699989 /nfs/dbraw/zinc/69/99/89/1067699989.db2.gz DTULNLWXGOENKD-UHFFFAOYSA-N 0 0 455.540 0.895 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc(C)ccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603794357 1067700068 /nfs/dbraw/zinc/70/00/68/1067700068.db2.gz BHYXGIWFMCXEMV-UHFFFAOYSA-N 0 0 498.649 0.905 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2c(F)cccc2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603794373 1067700078 /nfs/dbraw/zinc/70/00/78/1067700078.db2.gz BVVQINDKFYIHTH-UHFFFAOYSA-N 0 0 463.506 0.976 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc(OC)c2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603794407 1067700086 /nfs/dbraw/zinc/70/00/86/1067700086.db2.gz CYRSICODOYZYDX-UHFFFAOYSA-N 0 0 487.578 0.715 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603794419 1067700044 /nfs/dbraw/zinc/70/00/44/1067700044.db2.gz DIMZKKWISHHMON-UHFFFAOYSA-N 0 0 484.622 0.596 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2sccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603794425 1067700011 /nfs/dbraw/zinc/70/00/11/1067700011.db2.gz DRMUYSMXHGPOSZ-UHFFFAOYSA-N 0 0 490.651 0.658 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NCCOC ZINC000603794438 1067700159 /nfs/dbraw/zinc/70/01/59/1067700159.db2.gz FAKPRVNPIYRPGG-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603794439 1067700117 /nfs/dbraw/zinc/70/01/17/1067700117.db2.gz FBHDOYFUSVTWIO-UHFFFAOYSA-N 0 0 499.593 0.912 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603794479 1067700169 /nfs/dbraw/zinc/70/01/69/1067700169.db2.gz FVVDNSPTHXREGW-UHFFFAOYSA-N 0 0 488.585 0.427 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000603794497 1067700133 /nfs/dbraw/zinc/70/01/33/1067700133.db2.gz FXBSINAZKGIXFJ-UHFFFAOYSA-N 0 0 455.536 0.905 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603794508 1067700105 /nfs/dbraw/zinc/70/01/05/1067700105.db2.gz GAWCDYQNXVSOJV-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCOC)cc1 ZINC000603794608 1067700096 /nfs/dbraw/zinc/70/00/96/1067700096.db2.gz PYOAPSYRXHQVKY-UHFFFAOYSA-N 0 0 450.520 0.958 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCOC)cc1 ZINC000603794769 1067699953 /nfs/dbraw/zinc/69/99/53/1067699953.db2.gz UNIDNBVBFSVYRU-UHFFFAOYSA-N 0 0 450.520 0.958 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603794857 1067700522 /nfs/dbraw/zinc/70/05/22/1067700522.db2.gz OBMXWVBIOXWPMD-UHFFFAOYSA-N 0 0 455.540 0.895 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603794975 1067700363 /nfs/dbraw/zinc/70/03/63/1067700363.db2.gz HKDAXCAAUGIDQB-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603794996 1067700358 /nfs/dbraw/zinc/70/03/58/1067700358.db2.gz IHUYKTWJCJYVTD-UHFFFAOYSA-N 0 0 463.506 0.976 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603795008 1067700538 /nfs/dbraw/zinc/70/05/38/1067700538.db2.gz IXCDDHNUKOOYRY-UHFFFAOYSA-N 0 0 498.649 0.905 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603795013 1067700547 /nfs/dbraw/zinc/70/05/47/1067700547.db2.gz JBTLFEHVEYCQSK-UHFFFAOYSA-N 0 0 499.593 0.912 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603795061 1067700425 /nfs/dbraw/zinc/70/04/25/1067700425.db2.gz KHAMXYHMZWHBBG-UHFFFAOYSA-N 0 0 455.584 0.399 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603795062 1067700406 /nfs/dbraw/zinc/70/04/06/1067700406.db2.gz KHEFZKMJXDAPGM-UHFFFAOYSA-N 0 0 476.624 0.349 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc(OC)c1OC ZINC000603795112 1067700480 /nfs/dbraw/zinc/70/04/80/1067700480.db2.gz CNFUPTSPZDWTBD-UHFFFAOYSA-N 0 0 487.578 0.953 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603795320 1067700442 /nfs/dbraw/zinc/70/04/42/1067700442.db2.gz SUQREKJVFDURAT-UHFFFAOYSA-N 0 0 468.579 0.774 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603795354 1067700397 /nfs/dbraw/zinc/70/03/97/1067700397.db2.gz LTXLZCVDYFQTGF-UHFFFAOYSA-N 0 0 476.624 0.349 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603795403 1067700414 /nfs/dbraw/zinc/70/04/14/1067700414.db2.gz ODRSBYJEMCTAPC-UHFFFAOYSA-N 0 0 484.622 0.596 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603795407 1067700509 /nfs/dbraw/zinc/70/05/09/1067700509.db2.gz OFWFDWKMSFJIFR-UHFFFAOYSA-N 0 0 470.595 0.288 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NCCOC ZINC000603795436 1067700375 /nfs/dbraw/zinc/70/03/75/1067700375.db2.gz PDIFOTYQLSUMAI-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603795446 1067700470 /nfs/dbraw/zinc/70/04/70/1067700470.db2.gz VJQPCGSUMPXYCG-UHFFFAOYSA-N 0 0 473.551 0.707 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1CC(C)C ZINC000603795647 1067700889 /nfs/dbraw/zinc/70/08/89/1067700889.db2.gz CMMZJUDSLBSKLQ-UHFFFAOYSA-N 0 0 475.567 0.857 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c(OC)c1OC ZINC000603795681 1067700879 /nfs/dbraw/zinc/70/08/79/1067700879.db2.gz KMKUEWZKXLNQHQ-UHFFFAOYSA-N 0 0 487.578 0.953 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O ZINC000603795697 1067700366 /nfs/dbraw/zinc/70/03/66/1067700366.db2.gz DSRNJEGDYCGHOQ-UHFFFAOYSA-N 0 0 484.622 0.916 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603795716 1067700499 /nfs/dbraw/zinc/70/04/99/1067700499.db2.gz GETILILSJVSYNY-UHFFFAOYSA-N 0 0 485.566 0.425 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 ZINC000603795717 1067700936 /nfs/dbraw/zinc/70/09/36/1067700936.db2.gz GGYKXWPDRHHZQX-UHFFFAOYSA-N 0 0 470.595 0.526 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O ZINC000603795731 1067700814 /nfs/dbraw/zinc/70/08/14/1067700814.db2.gz HHKBYRMXHAEWBM-UHFFFAOYSA-N 0 0 470.595 0.526 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603795760 1067700463 /nfs/dbraw/zinc/70/04/63/1067700463.db2.gz QMMXXURZPFXGHK-UHFFFAOYSA-N 0 0 488.585 0.427 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603795772 1067700382 /nfs/dbraw/zinc/70/03/82/1067700382.db2.gz RHNLJQUNFHQFPM-UHFFFAOYSA-N 0 0 485.562 0.485 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603795773 1067700486 /nfs/dbraw/zinc/70/04/86/1067700486.db2.gz RHQKKPKGUGQMSH-UHFFFAOYSA-N 0 0 484.578 0.657 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603795787 1067700860 /nfs/dbraw/zinc/70/08/60/1067700860.db2.gz RXZBHZCSRKRUNC-UHFFFAOYSA-N 0 0 472.523 0.606 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603795828 1067700796 /nfs/dbraw/zinc/70/07/96/1067700796.db2.gz VLWQXNMRVCFJHC-UHFFFAOYSA-N 0 0 499.593 0.912 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1 ZINC000603795849 1067701593 /nfs/dbraw/zinc/70/15/93/1067701593.db2.gz LMBBCDHBQRNDQX-UHFFFAOYSA-N 0 0 455.536 0.714 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c(OC)c1 ZINC000603795851 1067701640 /nfs/dbraw/zinc/70/16/40/1067701640.db2.gz LNCJROHLQUUFMY-UHFFFAOYSA-N 0 0 457.552 0.945 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1 ZINC000603795909 1067701536 /nfs/dbraw/zinc/70/15/36/1067701536.db2.gz OAHDVYWTUXMXMC-UHFFFAOYSA-N 0 0 454.552 0.886 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603795952 1067701659 /nfs/dbraw/zinc/70/16/59/1067701659.db2.gz XCRBZNFJLOCCKM-UHFFFAOYSA-N 0 0 472.523 0.606 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(OC)cc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603795954 1067701629 /nfs/dbraw/zinc/70/16/29/1067701629.db2.gz XHQFFGKAKVLTDI-UHFFFAOYSA-N 0 0 487.578 0.715 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603795982 1067701678 /nfs/dbraw/zinc/70/16/78/1067701678.db2.gz YCVQHNNLDWEBJO-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2c(F)cccc2F)sc1=C(C#N)C(=O)NCCOC ZINC000603795991 1067701188 /nfs/dbraw/zinc/70/11/88/1067701188.db2.gz YRVNJCWRDXEJHF-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603796016 1067701269 /nfs/dbraw/zinc/70/12/69/1067701269.db2.gz ZMZPFGXZRLXOTO-UHFFFAOYSA-N 0 0 463.506 0.976 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796023 1067701244 /nfs/dbraw/zinc/70/12/44/1067701244.db2.gz IGUJOIGIFSYZSA-UHFFFAOYSA-N 0 0 458.559 0.656 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796024 1067701292 /nfs/dbraw/zinc/70/12/92/1067701292.db2.gz IHEFZDQTMDMLJQ-UHFFFAOYSA-N 0 0 476.549 0.795 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796031 1067701177 /nfs/dbraw/zinc/70/11/77/1067701177.db2.gz JDJASPRGXZOTDU-UHFFFAOYSA-N 0 0 485.566 0.425 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796032 1067701558 /nfs/dbraw/zinc/70/15/58/1067701558.db2.gz JDTGHWUTHSSNIO-UHFFFAOYSA-N 0 0 485.566 0.425 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)c1 ZINC000603796063 1067701237 /nfs/dbraw/zinc/70/12/37/1067701237.db2.gz KIKRNLVMRMVLJF-UHFFFAOYSA-N 0 0 454.596 0.826 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1OC ZINC000603796146 1067701158 /nfs/dbraw/zinc/70/11/58/1067701158.db2.gz QSDFTWRTIZVJDE-UHFFFAOYSA-N 0 0 457.552 0.945 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796220 1067701260 /nfs/dbraw/zinc/70/12/60/1067701260.db2.gz AFNBKNSBRFSUEG-UHFFFAOYSA-N 0 0 471.539 0.179 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796237 1067701229 /nfs/dbraw/zinc/70/12/29/1067701229.db2.gz BERRQUWRAPXQJB-UHFFFAOYSA-N 0 0 484.578 0.058 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796258 1067701209 /nfs/dbraw/zinc/70/12/09/1067701209.db2.gz BXSCNRRBJVYSCL-UHFFFAOYSA-N 0 0 483.594 0.230 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(SC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796277 1067701199 /nfs/dbraw/zinc/70/11/99/1067701199.db2.gz CIVDQRSLTCBNLB-UHFFFAOYSA-N 0 0 472.636 0.993 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796280 1067701275 /nfs/dbraw/zinc/70/12/75/1067701275.db2.gz COOMXLDOBSLEKB-UHFFFAOYSA-N 0 0 462.522 0.549 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccccc2OCC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796288 1067701284 /nfs/dbraw/zinc/70/12/84/1067701284.db2.gz DJVCPABAWCYEJD-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 ZINC000603796348 1067701169 /nfs/dbraw/zinc/70/11/69/1067701169.db2.gz OBYUPAFXOLWSAL-UHFFFAOYSA-N 0 0 484.622 0.916 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)s1 ZINC000603796354 1067701225 /nfs/dbraw/zinc/70/12/25/1067701225.db2.gz OQCGGQGCPDGABO-UHFFFAOYSA-N 0 0 460.625 0.887 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796355 1067701194 /nfs/dbraw/zinc/70/11/94/1067701194.db2.gz ORPLSBLKTFNOOT-UHFFFAOYSA-N 0 0 476.549 0.795 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2c(F)cccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796380 1067701312 /nfs/dbraw/zinc/70/13/12/1067701312.db2.gz QBYUGZXYLZZIAM-UHFFFAOYSA-N 0 0 476.549 0.795 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 ZINC000603796383 1067701216 /nfs/dbraw/zinc/70/12/16/1067701216.db2.gz QEMQYQIQKSHEDX-UHFFFAOYSA-N 0 0 454.596 0.826 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c1OC ZINC000603796450 1067701301 /nfs/dbraw/zinc/70/13/01/1067701301.db2.gz WNHYDZDGDZKTOW-UHFFFAOYSA-N 0 0 457.552 0.945 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796545 1067701252 /nfs/dbraw/zinc/70/12/52/1067701252.db2.gz HUTJMWAFJQCWAK-UHFFFAOYSA-N 0 0 486.594 0.288 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)NCCOC ZINC000603796574 1067700824 /nfs/dbraw/zinc/70/08/24/1067700824.db2.gz JNWXFUQQIUTCHY-UHFFFAOYSA-N 0 0 461.540 0.611 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796602 1067700765 /nfs/dbraw/zinc/70/07/65/1067700765.db2.gz LEAKSTVGMFPQLN-UHFFFAOYSA-N 0 0 454.596 0.888 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796614 1067700926 /nfs/dbraw/zinc/70/09/26/1067700926.db2.gz LQIYCFXOLRWVAR-UHFFFAOYSA-N 0 0 492.548 0.873 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796645 1067700787 /nfs/dbraw/zinc/70/07/87/1067700787.db2.gz VIYXUQZSFIGVTA-UHFFFAOYSA-N 0 0 458.559 0.656 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796665 1067700874 /nfs/dbraw/zinc/70/08/74/1067700874.db2.gz WCPBORNOSRDXEV-UHFFFAOYSA-N 0 0 458.559 0.656 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)c1 ZINC000603796689 1067700776 /nfs/dbraw/zinc/70/07/76/1067700776.db2.gz XXIXRQRJUXITBQ-UHFFFAOYSA-N 0 0 470.595 0.526 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)cc1 ZINC000603796719 1067700842 /nfs/dbraw/zinc/70/08/42/1067700842.db2.gz ZUDPNYIQCDUCER-UHFFFAOYSA-N 0 0 497.621 0.476 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(C)ccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796729 1067700853 /nfs/dbraw/zinc/70/08/53/1067700853.db2.gz MGMYPLAGDQUDFI-UHFFFAOYSA-N 0 0 454.596 0.888 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OCC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796748 1067700918 /nfs/dbraw/zinc/70/09/18/1067700918.db2.gz NILGJKUDNYCFPO-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000603796760 1067700869 /nfs/dbraw/zinc/70/08/69/1067700869.db2.gz OAFRFYJYSSRXNU-UHFFFAOYSA-N 0 0 461.540 0.611 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796766 1067700832 /nfs/dbraw/zinc/70/08/32/1067700832.db2.gz OGIHNQJULZCOAZ-UHFFFAOYSA-N 0 0 456.568 0.280 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796782 1067700908 /nfs/dbraw/zinc/70/09/08/1067700908.db2.gz OYJFOHMGUHZLAN-UHFFFAOYSA-N 0 0 477.590 0.819 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796783 1067700898 /nfs/dbraw/zinc/70/08/98/1067700898.db2.gz OZIIGWSCFGUSLG-UHFFFAOYSA-N 0 0 460.987 0.925 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796792 1067700865 /nfs/dbraw/zinc/70/08/65/1067700865.db2.gz PIBTZRAVTQNPQF-UHFFFAOYSA-N 0 0 456.568 0.280 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796796 1067701605 /nfs/dbraw/zinc/70/16/05/1067701605.db2.gz POSKTILYXJJQSJ-UHFFFAOYSA-N 0 0 460.987 0.925 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000603796824 1067701545 /nfs/dbraw/zinc/70/15/45/1067701545.db2.gz AEHWFUMIVYXCLI-UHFFFAOYSA-N 0 0 472.636 0.992 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCN1CCOCC1 ZINC000603796830 1067701670 /nfs/dbraw/zinc/70/16/70/1067701670.db2.gz ALSWFZMCXJOEGB-UHFFFAOYSA-N 0 0 490.532 0.625 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCN1CCOCC1 ZINC000603796838 1067701649 /nfs/dbraw/zinc/70/16/49/1067701649.db2.gz AVGHMGWLHLAXMQ-UHFFFAOYSA-N 0 0 490.532 0.625 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 ZINC000603796875 1067703471 /nfs/dbraw/zinc/70/34/71/1067703471.db2.gz CXRNBYXGTXGERN-UHFFFAOYSA-N 0 0 470.595 0.206 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603796878 1067703436 /nfs/dbraw/zinc/70/34/36/1067703436.db2.gz DDXXJFYUZZQCSO-UHFFFAOYSA-N 0 0 482.606 0.766 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603796895 1067703381 /nfs/dbraw/zinc/70/33/81/1067703381.db2.gz DQMIFNBBVHIGSK-UHFFFAOYSA-N 0 0 474.558 0.037 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000603796898 1067703831 /nfs/dbraw/zinc/70/38/31/1067703831.db2.gz DTEADEGFAPECTC-UHFFFAOYSA-N 0 0 482.606 0.221 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2CCN2CCOCC2)CC1 ZINC000603796899 1067703806 /nfs/dbraw/zinc/70/38/06/1067703806.db2.gz DYCBPRPHCPWALG-UHFFFAOYSA-N 0 0 499.612 0.048 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000603796912 1067703846 /nfs/dbraw/zinc/70/38/46/1067703846.db2.gz FRXNEXBKULISOP-UHFFFAOYSA-N 0 0 470.595 0.206 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCN2CCOCC2)c1=O ZINC000603796921 1067703865 /nfs/dbraw/zinc/70/38/65/1067703865.db2.gz GAHNXKYVZXVBNU-UHFFFAOYSA-N 0 0 458.609 0.737 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000603796927 1067703703 /nfs/dbraw/zinc/70/37/03/1067703703.db2.gz GGAHQXRJQAGYOL-UHFFFAOYSA-N 0 0 474.533 0.646 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCN1CCOCC1 ZINC000603796948 1067703768 /nfs/dbraw/zinc/70/37/68/1067703768.db2.gz GLDXDMMISNKLHL-UHFFFAOYSA-N 0 0 484.622 0.515 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603796950 1067703776 /nfs/dbraw/zinc/70/37/76/1067703776.db2.gz GSSZFNWAETYSNV-UHFFFAOYSA-N 0 0 452.580 0.586 20 30 JCEDRN CCCn1c(=O)c(=Cc2c(F)cccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796952 1067703723 /nfs/dbraw/zinc/70/37/23/1067703723.db2.gz RUUZFKOHXCCCTB-UHFFFAOYSA-N 0 0 462.522 0.549 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000603796969 1067703464 /nfs/dbraw/zinc/70/34/64/1067703464.db2.gz HMVIBTYQKQXKIK-UHFFFAOYSA-N 0 0 456.543 0.507 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603796971 1067703372 /nfs/dbraw/zinc/70/33/72/1067703372.db2.gz HRIVLESTXOEZGZ-UHFFFAOYSA-N 0 0 456.543 0.507 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796977 1067703418 /nfs/dbraw/zinc/70/34/18/1067703418.db2.gz SLBHFCNLZDRHCO-UHFFFAOYSA-N 0 0 462.522 0.549 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796987 1067703457 /nfs/dbraw/zinc/70/34/57/1067703457.db2.gz TVWCBVIWXTVEEL-UHFFFAOYSA-N 0 0 456.568 0.280 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000603796988 1067703825 /nfs/dbraw/zinc/70/38/25/1067703825.db2.gz HUTOTYLBVSJVBN-UHFFFAOYSA-N 0 0 488.997 0.257 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000603796994 1067703401 /nfs/dbraw/zinc/70/34/01/1067703401.db2.gz HWTIOOARFCUENY-UHFFFAOYSA-N 0 0 458.971 0.677 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1 ZINC000603797013 1067703502 /nfs/dbraw/zinc/70/35/02/1067703502.db2.gz IGXYXBGZPRALEM-UHFFFAOYSA-N 0 0 452.580 0.641 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000603797131 1067703410 /nfs/dbraw/zinc/70/34/10/1067703410.db2.gz CEEGTGYAVZCPHP-UHFFFAOYSA-N 0 0 454.596 0.970 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000603797149 1067703395 /nfs/dbraw/zinc/70/33/95/1067703395.db2.gz CSRJKZLPIIMUOA-UHFFFAOYSA-N 0 0 484.622 0.433 20 30 JCEDRN N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797170 1067703071 /nfs/dbraw/zinc/70/30/71/1067703071.db2.gz DGXUIRHMCRBXOV-UHFFFAOYSA-N 0 0 482.537 0.794 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603797172 1067703482 /nfs/dbraw/zinc/70/34/82/1067703482.db2.gz BIRFXRZIKKJDTC-INIZCTEOSA-N 0 0 479.505 0.956 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603797173 1067703140 /nfs/dbraw/zinc/70/31/40/1067703140.db2.gz BIRFXRZIKKJDTC-MRXNPFEDSA-N 0 0 479.505 0.956 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000603797182 1067703051 /nfs/dbraw/zinc/70/30/51/1067703051.db2.gz DOPRDGQDEHZYBW-UHFFFAOYSA-N 0 0 466.607 0.973 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000603797187 1067703110 /nfs/dbraw/zinc/70/31/10/1067703110.db2.gz FBIZPTPNWLDYRY-UHFFFAOYSA-N 0 0 461.547 0.779 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797189 1067703426 /nfs/dbraw/zinc/70/34/26/1067703426.db2.gz FCSUWCFEKWUIEP-UHFFFAOYSA-N 0 0 454.596 0.832 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000603797193 1067703442 /nfs/dbraw/zinc/70/34/42/1067703442.db2.gz FGBQAXMNKDALIM-UHFFFAOYSA-N 0 0 494.976 0.300 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603797199 1067703488 /nfs/dbraw/zinc/70/34/88/1067703488.db2.gz ALZBOOHWMTWTJH-FQEVSTJZSA-N 0 0 482.606 0.765 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603797200 1067703363 /nfs/dbraw/zinc/70/33/63/1067703363.db2.gz ALZBOOHWMTWTJH-HXUWFJFHSA-N 0 0 482.606 0.765 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603797217 1067703476 /nfs/dbraw/zinc/70/34/76/1067703476.db2.gz AOIHWECFMYZUTR-GOSISDBHSA-N 0 0 483.546 0.237 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603797224 1067703157 /nfs/dbraw/zinc/70/31/57/1067703157.db2.gz AOIHWECFMYZUTR-SFHVURJKSA-N 0 0 483.546 0.237 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCN1CCOCC1 ZINC000603797242 1067703127 /nfs/dbraw/zinc/70/31/27/1067703127.db2.gz FWXBSSIMOQAPRC-UHFFFAOYSA-N 0 0 475.574 0.595 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(CCN2CCOCC2)c1=O ZINC000603797260 1067703180 /nfs/dbraw/zinc/70/31/80/1067703180.db2.gz GAJRMLLUNYKOTH-UHFFFAOYSA-N 0 0 478.574 0.963 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000603797261 1067703450 /nfs/dbraw/zinc/70/34/50/1067703450.db2.gz AXPHKRRLONRXER-IBGZPJMESA-N 0 0 498.605 0.049 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000603797267 1067703376 /nfs/dbraw/zinc/70/33/76/1067703376.db2.gz AXPHKRRLONRXER-LJQANCHMSA-N 0 0 498.605 0.049 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603797270 1067703059 /nfs/dbraw/zinc/70/30/59/1067703059.db2.gz AYOKKDQLTPTRCW-GOSISDBHSA-N 0 0 470.570 0.895 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603797276 1067703114 /nfs/dbraw/zinc/70/31/14/1067703114.db2.gz AYOKKDQLTPTRCW-SFHVURJKSA-N 0 0 470.570 0.895 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCN1CCOCC1 ZINC000603797282 1067703145 /nfs/dbraw/zinc/70/31/45/1067703145.db2.gz GDZAYROLSWGHGX-UHFFFAOYSA-N 0 0 484.578 0.064 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000603797286 1067703388 /nfs/dbraw/zinc/70/33/88/1067703388.db2.gz GGPWIEPJNWGWHO-UHFFFAOYSA-N 0 0 470.595 0.125 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603797302 1067702702 /nfs/dbraw/zinc/70/27/02/1067702702.db2.gz BDUQWQLWWNEKAZ-GOSISDBHSA-N 0 0 453.568 0.151 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603797303 1067702694 /nfs/dbraw/zinc/70/26/94/1067702694.db2.gz BDUQWQLWWNEKAZ-SFHVURJKSA-N 0 0 453.568 0.151 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000603797310 1067702718 /nfs/dbraw/zinc/70/27/18/1067702718.db2.gz BHQIQRJSNNLSCU-GOSISDBHSA-N 0 0 469.563 0.849 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000603797315 1067702666 /nfs/dbraw/zinc/70/26/66/1067702666.db2.gz BHQIQRJSNNLSCU-SFHVURJKSA-N 0 0 469.563 0.849 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 ZINC000603797328 1067702653 /nfs/dbraw/zinc/70/26/53/1067702653.db2.gz DKCGTHCNUVPWAR-HNNXBMFYSA-N 0 0 479.505 0.956 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603797330 1067703170 /nfs/dbraw/zinc/70/31/70/1067703170.db2.gz BQMNZOMZJKGYMF-IBGZPJMESA-N 0 0 452.580 0.756 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603797331 1067703131 /nfs/dbraw/zinc/70/31/31/1067703131.db2.gz BQMNZOMZJKGYMF-LJQANCHMSA-N 0 0 452.580 0.756 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603797332 1067703166 /nfs/dbraw/zinc/70/31/66/1067703166.db2.gz BSAQZEGURUKBBP-KRWDZBQOSA-N 0 0 470.507 0.359 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603797333 1067703155 /nfs/dbraw/zinc/70/31/55/1067703155.db2.gz BSAQZEGURUKBBP-QGZVFWFLSA-N 0 0 470.507 0.359 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 ZINC000603797334 1067702770 /nfs/dbraw/zinc/70/27/70/1067702770.db2.gz BSJIZCISXJJVMU-INIZCTEOSA-N 0 0 470.507 0.359 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 ZINC000603797335 1067702675 /nfs/dbraw/zinc/70/26/75/1067702675.db2.gz BSJIZCISXJJVMU-MRXNPFEDSA-N 0 0 470.507 0.359 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603797367 1067702684 /nfs/dbraw/zinc/70/26/84/1067702684.db2.gz CUNYZZBRMGZCHW-IBGZPJMESA-N 0 0 497.577 0.664 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603797368 1067702643 /nfs/dbraw/zinc/70/26/43/1067702643.db2.gz CUNYZZBRMGZCHW-LJQANCHMSA-N 0 0 497.577 0.664 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603797393 1067703079 /nfs/dbraw/zinc/70/30/79/1067703079.db2.gz YSGMMHCQHVOLQC-UHFFFAOYSA-N 0 0 471.539 0.179 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(CC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603797414 1067703120 /nfs/dbraw/zinc/70/31/20/1067703120.db2.gz ZNEQOOCXFBQQSL-UHFFFAOYSA-N 0 0 454.596 0.834 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCN1CCOCC1 ZINC000603797425 1067703162 /nfs/dbraw/zinc/70/31/62/1067703162.db2.gz IGZYBRMOUAXBHZ-UHFFFAOYSA-N 0 0 489.601 0.916 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3)c(=O)n2CCN2CCOCC2)CC1 ZINC000603797427 1067703093 /nfs/dbraw/zinc/70/30/93/1067703093.db2.gz IIEIOSJLRLZBOI-UHFFFAOYSA-N 0 0 495.649 0.218 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797428 1067703149 /nfs/dbraw/zinc/70/31/49/1067703149.db2.gz IJSBQRGIEXJKDF-UHFFFAOYSA-N 0 0 474.533 0.646 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2CCN2CCOCC2)CC1 ZINC000603797429 1067702744 /nfs/dbraw/zinc/70/27/44/1067702744.db2.gz IMGPUYWWFHANLI-UHFFFAOYSA-N 0 0 499.612 0.048 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797435 1067702636 /nfs/dbraw/zinc/70/26/36/1067702636.db2.gz JAUYQXPFDNJCEB-UHFFFAOYSA-N 0 0 491.013 0.551 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797441 1067703086 /nfs/dbraw/zinc/70/30/86/1067703086.db2.gz JMSGZKUBRQYBKL-UHFFFAOYSA-N 0 0 460.987 0.923 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000603797444 1067702266 /nfs/dbraw/zinc/70/22/66/1067702266.db2.gz JRTOGXWIDTVUOK-UHFFFAOYSA-N 0 0 484.622 0.515 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1OC ZINC000603797447 1067702387 /nfs/dbraw/zinc/70/23/87/1067702387.db2.gz JYQWYXMTQWLFTO-UHFFFAOYSA-N 0 0 484.578 0.041 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)s1 ZINC000603797455 1067702359 /nfs/dbraw/zinc/70/23/59/1067702359.db2.gz KMHGQDXMFMORPN-UHFFFAOYSA-N 0 0 458.609 0.737 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000603797459 1067702345 /nfs/dbraw/zinc/70/23/45/1067702345.db2.gz KZDYBQJDGXGAEI-UHFFFAOYSA-N 0 0 483.550 0.276 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797466 1067702378 /nfs/dbraw/zinc/70/23/78/1067702378.db2.gz LHZMRUPDULHCLN-UHFFFAOYSA-N 0 0 466.607 0.930 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c1OC ZINC000603797473 1067702294 /nfs/dbraw/zinc/70/22/94/1067702294.db2.gz LQTZJJMKNBJVKW-UHFFFAOYSA-N 0 0 486.594 0.287 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3)c(=O)n2CCN2CCOCC2)CC1 ZINC000603797474 1067702304 /nfs/dbraw/zinc/70/23/04/1067702304.db2.gz LTMVLSQVLKXAAP-UHFFFAOYSA-N 0 0 495.649 0.218 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1 ZINC000603797479 1067701982 /nfs/dbraw/zinc/70/19/82/1067701982.db2.gz MCADNAULAWCMBP-UHFFFAOYSA-N 0 0 454.552 0.032 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797480 1067702340 /nfs/dbraw/zinc/70/23/40/1067702340.db2.gz MHEKLQVRINJNRT-UHFFFAOYSA-N 0 0 492.548 0.176 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCN2CCOCC2)c1=O ZINC000603797487 1067702631 /nfs/dbraw/zinc/70/26/31/1067702631.db2.gz NAEPZKVEVGQDGS-UHFFFAOYSA-N 0 0 468.579 0.376 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000603797493 1067701887 /nfs/dbraw/zinc/70/18/87/1067701887.db2.gz NJLRUUWVLXCLBQ-UHFFFAOYSA-N 0 0 466.607 0.984 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797495 1067702757 /nfs/dbraw/zinc/70/27/57/1067702757.db2.gz NUBWARQWUZRPRI-UHFFFAOYSA-N 0 0 468.579 0.422 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c(C)c1 ZINC000603797498 1067702320 /nfs/dbraw/zinc/70/23/20/1067702320.db2.gz NXBYTOKTBOJUSX-UHFFFAOYSA-N 0 0 466.607 0.984 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000603797500 1067701951 /nfs/dbraw/zinc/70/19/51/1067701951.db2.gz OESROPWLBNOSFF-UHFFFAOYSA-N 0 0 458.971 0.677 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000603797502 1067702658 /nfs/dbraw/zinc/70/26/58/1067702658.db2.gz OGPYUKCTQVUHPM-UHFFFAOYSA-N 0 0 458.971 0.677 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 ZINC000603797507 1067702801 /nfs/dbraw/zinc/70/28/01/1067702801.db2.gz OSIYEBSUHSEBKW-UHFFFAOYSA-N 0 0 483.550 0.276 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797508 1067702726 /nfs/dbraw/zinc/70/27/26/1067702726.db2.gz OSLZGKAIVBJVGA-UHFFFAOYSA-N 0 0 460.506 0.302 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797512 1067702269 /nfs/dbraw/zinc/70/22/69/1067702269.db2.gz OWVDCBXDYZHRPZ-UHFFFAOYSA-N 0 0 470.595 0.668 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797513 1067702301 /nfs/dbraw/zinc/70/23/01/1067702301.db2.gz OZWVSUCCVIXKGQ-UHFFFAOYSA-N 0 0 482.606 0.166 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797514 1067702739 /nfs/dbraw/zinc/70/27/39/1067702739.db2.gz PBMFOEZTHRCZBB-UHFFFAOYSA-N 0 0 474.558 0.037 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797517 1067702780 /nfs/dbraw/zinc/70/27/80/1067702780.db2.gz PFAXMFNRRQIUHW-UHFFFAOYSA-N 0 0 474.558 0.037 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797519 1067702350 /nfs/dbraw/zinc/70/23/50/1067702350.db2.gz PFYHEXDSYLYWIJ-UHFFFAOYSA-N 0 0 452.580 0.676 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797520 1067702333 /nfs/dbraw/zinc/70/23/33/1067702333.db2.gz PGOARROGEBQLSJ-UHFFFAOYSA-N 0 0 454.552 0.032 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)c(C)c1 ZINC000603797521 1067702680 /nfs/dbraw/zinc/70/26/80/1067702680.db2.gz PITZMBBWFFTJNA-UHFFFAOYSA-N 0 0 482.606 0.221 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603797536 1067702405 /nfs/dbraw/zinc/70/24/05/1067702405.db2.gz HFXHVXAPSMPCTL-UHFFFAOYSA-N 0 0 462.522 0.548 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCN1CCOCC1 ZINC000603797544 1067701972 /nfs/dbraw/zinc/70/19/72/1067701972.db2.gz HTRPXFATZAODQV-UHFFFAOYSA-N 0 0 452.580 0.664 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCN1CCOCC1 ZINC000603797545 1067701992 /nfs/dbraw/zinc/70/19/92/1067701992.db2.gz HVCCTZHEBGRYPX-UHFFFAOYSA-N 0 0 454.552 0.056 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000603797546 1067702285 /nfs/dbraw/zinc/70/22/85/1067702285.db2.gz HYVFFXATFVHHPS-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797555 1067702281 /nfs/dbraw/zinc/70/22/81/1067702281.db2.gz INNVURUUGOWIAW-UHFFFAOYSA-N 0 0 488.585 0.427 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000603797559 1068055909 /nfs/dbraw/zinc/05/59/09/1068055909.db2.gz IXPHKORBQPSLTD-UHFFFAOYSA-N 0 0 454.552 0.056 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797562 1067702368 /nfs/dbraw/zinc/70/23/68/1067702368.db2.gz IZFAMOQIMUUXGL-UHFFFAOYSA-N 0 0 492.548 0.871 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 ZINC000603797565 1067702396 /nfs/dbraw/zinc/70/23/96/1067702396.db2.gz JAUOLOAJJIMYLI-UHFFFAOYSA-N 0 0 450.520 0.977 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCN1CCOCC1 ZINC000603797566 1067702273 /nfs/dbraw/zinc/70/22/73/1067702273.db2.gz JFVOZGFFPPCUQT-UHFFFAOYSA-N 0 0 485.566 0.570 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797571 1067702791 /nfs/dbraw/zinc/70/27/91/1067702791.db2.gz JIFDZXNFIDAYGF-UHFFFAOYSA-N 0 0 484.622 0.631 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000603797572 1067702326 /nfs/dbraw/zinc/70/23/26/1067702326.db2.gz JIUXNZMMARDUBW-UHFFFAOYSA-N 0 0 460.987 0.923 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797590 1067701623 /nfs/dbraw/zinc/70/16/23/1067701623.db2.gz JTRCDONQCYMBKX-UHFFFAOYSA-N 0 0 481.578 0.006 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCN1CCOCC1 ZINC000603797592 1067701586 /nfs/dbraw/zinc/70/15/86/1067701586.db2.gz JUOSFMINVKVDJU-UHFFFAOYSA-N 0 0 484.578 0.064 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 ZINC000603797599 1067702031 /nfs/dbraw/zinc/70/20/31/1067702031.db2.gz JWXVYGYHAFYRPE-UHFFFAOYSA-N 0 0 454.596 0.970 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000603797603 1067701875 /nfs/dbraw/zinc/70/18/75/1067701875.db2.gz KCYRCIBVHVMXHE-UHFFFAOYSA-N 0 0 462.522 0.548 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000603797616 1067701599 /nfs/dbraw/zinc/70/15/99/1067701599.db2.gz DXFVYBXUVVBZDC-KRWDZBQOSA-N 0 0 455.536 0.459 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000603797617 1067701960 /nfs/dbraw/zinc/70/19/60/1067701960.db2.gz DXFVYBXUVVBZDC-QGZVFWFLSA-N 0 0 455.536 0.459 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797619 1067701944 /nfs/dbraw/zinc/70/19/44/1067701944.db2.gz KNZNYNSZWSAVCJ-UHFFFAOYSA-N 0 0 488.635 0.230 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 ZINC000603797623 1067701936 /nfs/dbraw/zinc/70/19/36/1067701936.db2.gz FAESXWYQZZAQGN-INIZCTEOSA-N 0 0 472.523 0.653 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 ZINC000603797624 1067702037 /nfs/dbraw/zinc/70/20/37/1067702037.db2.gz FAESXWYQZZAQGN-MRXNPFEDSA-N 0 0 472.523 0.653 20 30 JCEDRN N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000603797627 1067701916 /nfs/dbraw/zinc/70/19/16/1067701916.db2.gz KTBXXTDTSCATHW-UHFFFAOYSA-N 0 0 465.535 0.049 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000603797645 1067701927 /nfs/dbraw/zinc/70/19/27/1067701927.db2.gz LKWAMZVMSNHUIK-UHFFFAOYSA-N 0 0 476.986 0.161 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 ZINC000603797652 1067702045 /nfs/dbraw/zinc/70/20/45/1067702045.db2.gz DKCGTHCNUVPWAR-OAHLLOKOSA-N 0 0 479.505 0.956 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797656 1067701613 /nfs/dbraw/zinc/70/16/13/1067701613.db2.gz LVEKGUUKQIZEOV-UHFFFAOYSA-N 0 0 460.506 0.325 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 ZINC000603797663 1067701921 /nfs/dbraw/zinc/70/19/21/1067701921.db2.gz MCDYWFXCUBOUJH-UHFFFAOYSA-N 0 0 484.622 0.596 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797672 1067702039 /nfs/dbraw/zinc/70/20/39/1067702039.db2.gz MIXUTRSAZRAZNF-UHFFFAOYSA-N 0 0 478.574 0.963 20 30 JCEDRN N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 ZINC000603797683 1067701896 /nfs/dbraw/zinc/70/18/96/1067701896.db2.gz MMGKPYOGHCUWBL-UHFFFAOYSA-N 0 0 464.547 0.654 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000603797701 1067701902 /nfs/dbraw/zinc/70/19/02/1067701902.db2.gz MWUDQPNSUQERKM-UHFFFAOYSA-N 0 0 492.601 0.661 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603797713 1067702018 /nfs/dbraw/zinc/70/20/18/1067702018.db2.gz FYQMEVPAJIXBKE-KRWDZBQOSA-N 0 0 453.520 0.657 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797715 1067701570 /nfs/dbraw/zinc/70/15/70/1067701570.db2.gz NBUZXXADBSYKTA-UHFFFAOYSA-N 0 0 458.971 0.701 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603797716 1067702003 /nfs/dbraw/zinc/70/20/03/1067702003.db2.gz FYQMEVPAJIXBKE-QGZVFWFLSA-N 0 0 453.520 0.657 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000603797769 1067701525 /nfs/dbraw/zinc/70/15/25/1067701525.db2.gz HAYQYOSXBUOBHC-INIZCTEOSA-N 0 0 473.551 0.372 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C[C@H]1CCCO1 ZINC000603797773 1067701550 /nfs/dbraw/zinc/70/15/50/1067701550.db2.gz HAYQYOSXBUOBHC-MRXNPFEDSA-N 0 0 473.551 0.372 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603797789 1067701531 /nfs/dbraw/zinc/70/15/31/1067701531.db2.gz HGJXKJACMLSDSF-GOSISDBHSA-N 0 0 470.551 0.313 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603797790 1067701582 /nfs/dbraw/zinc/70/15/82/1067701582.db2.gz HGJXKJACMLSDSF-SFHVURJKSA-N 0 0 470.551 0.313 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603797802 1067703714 /nfs/dbraw/zinc/70/37/14/1067703714.db2.gz GYOXCNMGTVZKEP-HNNXBMFYSA-N 0 0 461.490 0.729 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603797807 1067703856 /nfs/dbraw/zinc/70/38/56/1067703856.db2.gz GYOXCNMGTVZKEP-OAHLLOKOSA-N 0 0 461.490 0.729 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603797816 1067704049 /nfs/dbraw/zinc/70/40/49/1067704049.db2.gz HCGDGBRQOGYUSH-IBGZPJMESA-N 0 0 470.570 0.895 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603797818 1067703786 /nfs/dbraw/zinc/70/37/86/1067703786.db2.gz HCGDGBRQOGYUSH-LJQANCHMSA-N 0 0 470.570 0.895 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCN1CCOCC1 ZINC000603797839 1067703842 /nfs/dbraw/zinc/70/38/42/1067703842.db2.gz PURRYRFVGBGYKX-UHFFFAOYSA-N 0 0 471.539 0.178 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCN1CCOCC1 ZINC000603797846 1067703874 /nfs/dbraw/zinc/70/38/74/1067703874.db2.gz QFZVMTTVLFUXCF-UHFFFAOYSA-N 0 0 475.574 0.572 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c(C)c1 ZINC000603797851 1067703837 /nfs/dbraw/zinc/70/38/37/1067703837.db2.gz QPEDOXZKAKVUCT-UHFFFAOYSA-N 0 0 452.580 0.641 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797854 1067703697 /nfs/dbraw/zinc/70/36/97/1067703697.db2.gz QQTBRCSKDIDAQE-UHFFFAOYSA-N 0 0 470.595 0.206 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c(C)c1 ZINC000603797856 1067703741 /nfs/dbraw/zinc/70/37/41/1067703741.db2.gz QSLKPZZCOMVOLS-UHFFFAOYSA-N 0 0 466.607 0.949 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000603797864 1067704122 /nfs/dbraw/zinc/70/41/22/1067704122.db2.gz RIULUKLCJLBWTM-UHFFFAOYSA-N 0 0 476.961 0.816 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCN1CCOCC1 ZINC000603797867 1067703759 /nfs/dbraw/zinc/70/37/59/1067703759.db2.gz RQIJFVUBYMGVDB-UHFFFAOYSA-N 0 0 483.550 0.276 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cc1OC ZINC000603797871 1067703752 /nfs/dbraw/zinc/70/37/52/1067703752.db2.gz SDBCUHYZHBUFRI-UHFFFAOYSA-N 0 0 498.605 0.385 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000603797880 1067703732 /nfs/dbraw/zinc/70/37/32/1067703732.db2.gz SUBAFHZSLDTNTR-UHFFFAOYSA-N 0 0 460.987 0.923 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c1OC ZINC000603797888 1067705239 /nfs/dbraw/zinc/70/52/39/1067705239.db2.gz TZBQZAAJEFATPC-UHFFFAOYSA-N 0 0 498.605 0.385 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797897 1067705419 /nfs/dbraw/zinc/70/54/19/1067705419.db2.gz UUJSURXHECYFRL-UHFFFAOYSA-N 0 0 470.620 0.746 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797901 1067705255 /nfs/dbraw/zinc/70/52/55/1067705255.db2.gz VKSSKMNRENYZJN-UHFFFAOYSA-N 0 0 488.997 0.257 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000603797907 1067705528 /nfs/dbraw/zinc/70/55/28/1067705528.db2.gz WCCLFUJIRQLKSH-UHFFFAOYSA-N 0 0 483.594 0.228 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603797917 1067705218 /nfs/dbraw/zinc/70/52/18/1067705218.db2.gz WNFUULHRTBYWKA-UHFFFAOYSA-N 0 0 492.548 0.176 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000603797923 1067705188 /nfs/dbraw/zinc/70/51/88/1067705188.db2.gz WZANZTNNOALZTH-UHFFFAOYSA-N 0 0 488.997 0.257 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797934 1067705105 /nfs/dbraw/zinc/70/51/05/1067705105.db2.gz XOWPVXIPABNAKH-UHFFFAOYSA-N 0 0 456.543 0.507 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCN3CCOCC3)c2=O)c1 ZINC000603797940 1067705172 /nfs/dbraw/zinc/70/51/72/1067705172.db2.gz NSAYOUXOGAGVSY-UHFFFAOYSA-N 0 0 478.574 0.963 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 ZINC000603797945 1067705199 /nfs/dbraw/zinc/70/51/99/1067705199.db2.gz NWMPABSTWLEXLT-UHFFFAOYSA-N 0 0 462.522 0.548 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c(OC)c1 ZINC000603797946 1067705230 /nfs/dbraw/zinc/70/52/30/1067705230.db2.gz NWXZARMVYGLLEH-UHFFFAOYSA-N 0 0 486.594 0.287 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCN1CCOCC1 ZINC000603797947 1067705158 /nfs/dbraw/zinc/70/51/58/1067705158.db2.gz NXMGNRKJWGKTPI-UHFFFAOYSA-N 0 0 470.595 0.125 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797959 1067704853 /nfs/dbraw/zinc/70/48/53/1067704853.db2.gz OOZIMKHEMVTXNV-UHFFFAOYSA-N 0 0 468.579 0.446 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797965 1067705262 /nfs/dbraw/zinc/70/52/62/1067705262.db2.gz PCAAYGRVZYRFQI-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797966 1067704962 /nfs/dbraw/zinc/70/49/62/1067704962.db2.gz PCTOKTQWDRGESP-UHFFFAOYSA-N 0 0 454.552 0.056 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCN1CCOCC1 ZINC000603797968 1067705211 /nfs/dbraw/zinc/70/52/11/1067705211.db2.gz PHPLVGAFJZDRCC-UHFFFAOYSA-N 0 0 498.649 0.905 20 30 JCEDRN N#CC(C(=O)Nc1ccc(F)cc1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000603797969 1067705115 /nfs/dbraw/zinc/70/51/15/1067705115.db2.gz PJKUEVVFFHETKF-UHFFFAOYSA-N 0 0 479.537 0.918 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCN1CCOCC1 ZINC000603797977 1067705268 /nfs/dbraw/zinc/70/52/68/1067705268.db2.gz PRMPRLNSIPHSFF-UHFFFAOYSA-N 0 0 490.651 0.658 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCN1CCOCC1 ZINC000603797991 1067704814 /nfs/dbraw/zinc/70/48/14/1067704814.db2.gz QCZIPCXETSGGMV-UHFFFAOYSA-N 0 0 452.580 0.664 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000603797992 1067705126 /nfs/dbraw/zinc/70/51/26/1067705126.db2.gz QGSJWDSPMSVWPL-UHFFFAOYSA-N 0 0 476.624 0.349 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000603797995 1067705245 /nfs/dbraw/zinc/70/52/45/1067705245.db2.gz HQIRUQOVTQZLMC-FQEVSTJZSA-N 0 0 482.606 0.349 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000603797996 1067705081 /nfs/dbraw/zinc/70/50/81/1067705081.db2.gz QOZNQMWTHBRJNX-UHFFFAOYSA-N 0 0 461.547 0.779 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCN1CCOCC1 ZINC000603797997 1067704930 /nfs/dbraw/zinc/70/49/30/1067704930.db2.gz QQAALMBFUDCBNJ-UHFFFAOYSA-N 0 0 452.580 0.610 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1 ZINC000603797999 1067705133 /nfs/dbraw/zinc/70/51/33/1067705133.db2.gz HQIRUQOVTQZLMC-HXUWFJFHSA-N 0 0 482.606 0.349 20 30 JCEDRN N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000603798002 1067705426 /nfs/dbraw/zinc/70/54/26/1067705426.db2.gz QZFQRZVYAWETAB-UHFFFAOYSA-N 0 0 470.576 0.716 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1OC ZINC000603798014 1067705093 /nfs/dbraw/zinc/70/50/93/1067705093.db2.gz HWZUWOQYFXTXDF-INIZCTEOSA-N 0 0 455.536 0.888 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603798015 1067705149 /nfs/dbraw/zinc/70/51/49/1067705149.db2.gz XXZJOQRRWRWVBX-UHFFFAOYSA-N 0 0 474.533 0.646 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O ZINC000603798018 1067705396 /nfs/dbraw/zinc/70/53/96/1067705396.db2.gz YCTQWLLZQUHXNP-UHFFFAOYSA-N 0 0 456.568 0.278 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCN2CCOCC2)c1=O ZINC000603798021 1067705250 /nfs/dbraw/zinc/70/52/50/1067705250.db2.gz YKTCCPQULNQXCR-UHFFFAOYSA-N 0 0 452.580 0.676 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O ZINC000603798033 1067704764 /nfs/dbraw/zinc/70/47/64/1067704764.db2.gz YOVBUMRCUGTMCX-UHFFFAOYSA-N 0 0 454.552 0.032 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1OC ZINC000603798034 1067704921 /nfs/dbraw/zinc/70/49/21/1067704921.db2.gz HWZUWOQYFXTXDF-MRXNPFEDSA-N 0 0 455.536 0.888 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 ZINC000603798065 1067704897 /nfs/dbraw/zinc/70/48/97/1067704897.db2.gz SBKHSWPDFZJLBE-UHFFFAOYSA-N 0 0 470.595 0.288 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603798066 1067704864 /nfs/dbraw/zinc/70/48/64/1067704864.db2.gz IFMFYTIPCTZSJD-FQEVSTJZSA-N 0 0 482.606 0.765 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603798071 1067704984 /nfs/dbraw/zinc/70/49/84/1067704984.db2.gz IFMFYTIPCTZSJD-HXUWFJFHSA-N 0 0 482.606 0.765 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798076 1067704886 /nfs/dbraw/zinc/70/48/86/1067704886.db2.gz IHEUSDOMDDLDIF-IBGZPJMESA-N 0 0 484.578 0.703 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 ZINC000603798079 1067704804 /nfs/dbraw/zinc/70/48/04/1067704804.db2.gz SCZCLPIQPCIEEL-UHFFFAOYSA-N 0 0 485.566 0.570 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603798081 1067704953 /nfs/dbraw/zinc/70/49/53/1067704953.db2.gz IHEUSDOMDDLDIF-LJQANCHMSA-N 0 0 484.578 0.703 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCN1CCOCC1 ZINC000603798094 1067704490 /nfs/dbraw/zinc/70/44/90/1067704490.db2.gz SECOVYZYMBMKHP-UHFFFAOYSA-N 0 0 490.532 0.649 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCN3CCOCC3)c2=O)cc1 ZINC000603798108 1067704779 /nfs/dbraw/zinc/70/47/79/1067704779.db2.gz SRHSNKRQXAIZPY-UHFFFAOYSA-N 0 0 494.573 0.663 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 ZINC000603798112 1067704793 /nfs/dbraw/zinc/70/47/93/1067704793.db2.gz SVVHZQQHXCXZOX-UHFFFAOYSA-N 0 0 458.559 0.800 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 ZINC000603798121 1067704826 /nfs/dbraw/zinc/70/48/26/1067704826.db2.gz IXTUYJARISVYTJ-AWEZNQCLSA-N 0 0 461.490 0.729 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 ZINC000603798123 1067704943 /nfs/dbraw/zinc/70/49/43/1067704943.db2.gz IXTUYJARISVYTJ-CQSZACIVSA-N 0 0 461.490 0.729 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000603798132 1067704973 /nfs/dbraw/zinc/70/49/73/1067704973.db2.gz JAJJYAMKOFIYTR-KRWDZBQOSA-N 0 0 488.635 0.410 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000603798136 1068055933 /nfs/dbraw/zinc/05/59/33/1068055933.db2.gz UIBAPYNJIZWGIV-UHFFFAOYSA-N 0 0 458.971 0.701 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000603798138 1067704752 /nfs/dbraw/zinc/70/47/52/1067704752.db2.gz JAJJYAMKOFIYTR-QGZVFWFLSA-N 0 0 488.635 0.410 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603798152 1067704910 /nfs/dbraw/zinc/70/49/10/1067704910.db2.gz URJUVWJQSXGDLH-UHFFFAOYSA-N 0 0 476.549 0.940 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798168 1067704840 /nfs/dbraw/zinc/70/48/40/1067704840.db2.gz JIKCJLLTFNFARC-IBGZPJMESA-N 0 0 486.569 0.179 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603798175 1067704458 /nfs/dbraw/zinc/70/44/58/1067704458.db2.gz JIKCJLLTFNFARC-LJQANCHMSA-N 0 0 486.569 0.179 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]2CCCO2)c1=O ZINC000603798181 1067704543 /nfs/dbraw/zinc/70/45/43/1067704543.db2.gz KCZVOIYEEZXBLE-KRWDZBQOSA-N 0 0 457.552 0.753 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C[C@H]2CCCO2)c1=O ZINC000603798182 1067704444 /nfs/dbraw/zinc/70/44/44/1067704444.db2.gz KCZVOIYEEZXBLE-QGZVFWFLSA-N 0 0 457.552 0.753 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798195 1067704559 /nfs/dbraw/zinc/70/45/59/1067704559.db2.gz KOAKLFJFFZMDCD-INIZCTEOSA-N 0 0 455.536 0.911 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603798200 1067704503 /nfs/dbraw/zinc/70/45/03/1067704503.db2.gz KOAKLFJFFZMDCD-MRXNPFEDSA-N 0 0 455.536 0.911 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603798203 1067704510 /nfs/dbraw/zinc/70/45/10/1067704510.db2.gz JUKWLGWBAALVEQ-GOSISDBHSA-N 0 0 457.552 0.753 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798204 1067704552 /nfs/dbraw/zinc/70/45/52/1067704552.db2.gz JUKWLGWBAALVEQ-SFHVURJKSA-N 0 0 457.552 0.753 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 ZINC000603798250 1067704482 /nfs/dbraw/zinc/70/44/82/1067704482.db2.gz LKCMNVUFRZFNNK-HNNXBMFYSA-N 0 0 458.496 0.263 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 ZINC000603798253 1067704524 /nfs/dbraw/zinc/70/45/24/1067704524.db2.gz LKCMNVUFRZFNNK-OAHLLOKOSA-N 0 0 458.496 0.263 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 ZINC000603798289 1067704477 /nfs/dbraw/zinc/70/44/77/1067704477.db2.gz VXIHMLIHGWOJHQ-UHFFFAOYSA-N 0 0 484.622 0.596 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)cc2)c(=O)n1CCN1CCOCC1 ZINC000603798294 1067704496 /nfs/dbraw/zinc/70/44/96/1067704496.db2.gz WMRPDWCHVWFNRC-UHFFFAOYSA-N 0 0 498.649 0.805 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCN1CCOCC1 ZINC000603798296 1067704466 /nfs/dbraw/zinc/70/44/66/1067704466.db2.gz WSLBQZJTHKVAGP-UHFFFAOYSA-N 0 0 477.590 0.818 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603798298 1067704571 /nfs/dbraw/zinc/70/45/71/1067704571.db2.gz WTTXSHRPMDMGOD-UHFFFAOYSA-N 0 0 458.559 0.800 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603798301 1067704538 /nfs/dbraw/zinc/70/45/38/1067704538.db2.gz XCMWCISCKPPHKI-UHFFFAOYSA-N 0 0 460.506 0.325 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(CCN2CCOCC2)c1=O ZINC000603798308 1067704565 /nfs/dbraw/zinc/70/45/65/1067704565.db2.gz XUEONYPPBPXJAG-UHFFFAOYSA-N 0 0 494.573 0.663 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c(C)c1 ZINC000603798309 1067704437 /nfs/dbraw/zinc/70/44/37/1067704437.db2.gz XVODMZMWTJVGBE-UHFFFAOYSA-N 0 0 454.596 0.887 20 30 JCEDRN COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCN2CCOCC2)c1 ZINC000603798318 1067704515 /nfs/dbraw/zinc/70/45/15/1067704515.db2.gz YEADRQCPPFIDJA-UHFFFAOYSA-N 0 0 491.573 0.787 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 ZINC000603798320 1067704084 /nfs/dbraw/zinc/70/40/84/1067704084.db2.gz YKISEMDAMDZAHU-UHFFFAOYSA-N 0 0 476.624 0.349 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1CCN1CCOCC1 ZINC000603798331 1067704076 /nfs/dbraw/zinc/70/40/76/1067704076.db2.gz ZFLGOUQAXLELNO-UHFFFAOYSA-N 0 0 468.579 0.446 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000603798335 1067704528 /nfs/dbraw/zinc/70/45/28/1067704528.db2.gz ZRLXVDUTTPDROV-UHFFFAOYSA-N 0 0 456.568 0.278 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCN1CCOCC1 ZINC000603798337 1067704199 /nfs/dbraw/zinc/70/41/99/1067704199.db2.gz ZWXZUGLAMMSBGI-UHFFFAOYSA-N 0 0 493.589 0.056 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798368 1067704154 /nfs/dbraw/zinc/70/41/54/1067704154.db2.gz KOPUDVTZOJBIEO-INIZCTEOSA-N 0 0 474.608 0.102 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 ZINC000603798372 1067704163 /nfs/dbraw/zinc/70/41/63/1067704163.db2.gz KOPUDVTZOJBIEO-MRXNPFEDSA-N 0 0 474.608 0.102 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C[C@H]1CCCO1 ZINC000603798393 1067704111 /nfs/dbraw/zinc/70/41/11/1067704111.db2.gz KXAAJLGKDXTZNP-GOSISDBHSA-N 0 0 487.578 0.762 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000603798399 1067704220 /nfs/dbraw/zinc/70/42/20/1067704220.db2.gz KXAAJLGKDXTZNP-SFHVURJKSA-N 0 0 487.578 0.762 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798412 1067704136 /nfs/dbraw/zinc/70/41/36/1067704136.db2.gz KZHOIDQNEUTQML-KRWDZBQOSA-N 0 0 487.578 0.762 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603798413 1067704101 /nfs/dbraw/zinc/70/41/01/1067704101.db2.gz KZHOIDQNEUTQML-QGZVFWFLSA-N 0 0 487.578 0.762 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000603798430 1067704172 /nfs/dbraw/zinc/70/41/72/1067704172.db2.gz LGERDMSBPHHBMY-FQEVSTJZSA-N 0 0 498.605 0.049 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1 ZINC000603798431 1067704067 /nfs/dbraw/zinc/70/40/67/1067704067.db2.gz LGERDMSBPHHBMY-HXUWFJFHSA-N 0 0 498.605 0.049 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1OC ZINC000603798440 1067704038 /nfs/dbraw/zinc/70/40/38/1067704038.db2.gz LLDPOPOKUQOZKA-KRWDZBQOSA-N 0 0 485.562 0.468 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1OC ZINC000603798446 1067704209 /nfs/dbraw/zinc/70/42/09/1067704209.db2.gz LLDPOPOKUQOZKA-QGZVFWFLSA-N 0 0 485.562 0.468 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@H]1CCCO1 ZINC000603798448 1067704450 /nfs/dbraw/zinc/70/44/50/1067704450.db2.gz MAOCIBIKRKTYRD-GOSISDBHSA-N 0 0 464.547 0.903 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798450 1067704231 /nfs/dbraw/zinc/70/42/31/1067704231.db2.gz MAOCIBIKRKTYRD-SFHVURJKSA-N 0 0 464.547 0.903 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc(OC)c1OC ZINC000603798474 1067704143 /nfs/dbraw/zinc/70/41/43/1067704143.db2.gz LUVUSXDBFZOXOP-INIZCTEOSA-N 0 0 485.562 0.896 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc(OC)c1OC ZINC000603798482 1067704096 /nfs/dbraw/zinc/70/40/96/1067704096.db2.gz LUVUSXDBFZOXOP-MRXNPFEDSA-N 0 0 485.562 0.896 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798775 1067704181 /nfs/dbraw/zinc/70/41/81/1067704181.db2.gz NJNOMGQUMHZMQZ-IBGZPJMESA-N 0 0 486.569 0.179 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603798776 1067704190 /nfs/dbraw/zinc/70/41/90/1067704190.db2.gz NJNOMGQUMHZMQZ-LJQANCHMSA-N 0 0 486.569 0.179 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603798800 1067705546 /nfs/dbraw/zinc/70/55/46/1067705546.db2.gz NWACPLXUUOYJBF-KRWDZBQOSA-N 0 0 455.536 0.903 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603798801 1067705432 /nfs/dbraw/zinc/70/54/32/1067705432.db2.gz NWACPLXUUOYJBF-QGZVFWFLSA-N 0 0 455.536 0.903 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603798812 1067705553 /nfs/dbraw/zinc/70/55/53/1067705553.db2.gz ODZZOYCNVNBPBI-KRWDZBQOSA-N 0 0 458.609 0.817 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603798816 1067705440 /nfs/dbraw/zinc/70/54/40/1067705440.db2.gz ODZZOYCNVNBPBI-QGZVFWFLSA-N 0 0 458.609 0.817 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603798844 1067705460 /nfs/dbraw/zinc/70/54/60/1067705460.db2.gz PDCVLDDHUBFTNW-GOSISDBHSA-N 0 0 457.552 0.753 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603798846 1067705482 /nfs/dbraw/zinc/70/54/82/1067705482.db2.gz PDCVLDDHUBFTNW-SFHVURJKSA-N 0 0 457.552 0.753 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603798847 1067705511 /nfs/dbraw/zinc/70/55/11/1067705511.db2.gz OSDGETLWNQDANF-GOSISDBHSA-N 0 0 485.562 0.531 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798851 1067705506 /nfs/dbraw/zinc/70/55/06/1067705506.db2.gz OSDGETLWNQDANF-SFHVURJKSA-N 0 0 485.562 0.531 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603798860 1067705412 /nfs/dbraw/zinc/70/54/12/1067705412.db2.gz OUONRPBPNVTKEU-GOSISDBHSA-N 0 0 457.552 0.753 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798861 1067705406 /nfs/dbraw/zinc/70/54/06/1067705406.db2.gz OUONRPBPNVTKEU-SFHVURJKSA-N 0 0 457.552 0.753 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c(OC)c1 ZINC000603798877 1067705522 /nfs/dbraw/zinc/70/55/22/1067705522.db2.gz PBEQVJSMPXRDBG-KRWDZBQOSA-N 0 0 455.536 0.888 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c(OC)c1 ZINC000603798878 1067705451 /nfs/dbraw/zinc/70/54/51/1067705451.db2.gz PBEQVJSMPXRDBG-QGZVFWFLSA-N 0 0 455.536 0.888 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798879 1067705470 /nfs/dbraw/zinc/70/54/70/1067705470.db2.gz PCCJOWTYZOIPLS-KRWDZBQOSA-N 0 0 474.608 0.102 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 ZINC000603798881 1067705536 /nfs/dbraw/zinc/70/55/36/1067705536.db2.gz PCCJOWTYZOIPLS-QGZVFWFLSA-N 0 0 474.608 0.102 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603798921 1067706164 /nfs/dbraw/zinc/70/61/64/1067706164.db2.gz PRWRNEGCKFJHKL-KRWDZBQOSA-N 0 0 472.523 0.653 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603798924 1067706252 /nfs/dbraw/zinc/70/62/52/1067706252.db2.gz PRWRNEGCKFJHKL-QGZVFWFLSA-N 0 0 472.523 0.653 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1OC ZINC000603798973 1067706176 /nfs/dbraw/zinc/70/61/76/1067706176.db2.gz PZSIZFMYWDIYEA-INIZCTEOSA-N 0 0 455.536 0.888 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1OC ZINC000603798976 1067706133 /nfs/dbraw/zinc/70/61/33/1067706133.db2.gz PZSIZFMYWDIYEA-MRXNPFEDSA-N 0 0 455.536 0.888 20 30 JCEDRN COc1ccc(Cn2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000603798978 1067706262 /nfs/dbraw/zinc/70/62/62/1067706262.db2.gz QGXQUUMJRMAXFO-UHFFFAOYSA-N 0 0 462.531 0.724 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000603799006 1067706219 /nfs/dbraw/zinc/70/62/19/1067706219.db2.gz QVRDJROAEADSNR-INIZCTEOSA-N 0 0 455.536 0.911 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C[C@H]1CCCO1 ZINC000603799007 1067706282 /nfs/dbraw/zinc/70/62/82/1067706282.db2.gz QVRDJROAEADSNR-MRXNPFEDSA-N 0 0 455.536 0.911 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603799033 1067706196 /nfs/dbraw/zinc/70/61/96/1067706196.db2.gz REOJGDGDTSEQJZ-GOSISDBHSA-N 0 0 452.536 0.852 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603799036 1067706271 /nfs/dbraw/zinc/70/62/71/1067706271.db2.gz REOJGDGDTSEQJZ-SFHVURJKSA-N 0 0 452.536 0.852 20 30 JCEDRN Cc1ccccc1-n1c(=O)c(=Cc2ccco2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603799309 1067706317 /nfs/dbraw/zinc/70/63/17/1067706317.db2.gz JVJDHJJHFAWOQY-UHFFFAOYSA-N 0 0 464.547 0.752 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000603799581 1067705759 /nfs/dbraw/zinc/70/57/59/1067705759.db2.gz QBLSYVMRCKRJIM-KRWDZBQOSA-N 0 0 457.552 0.753 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 ZINC000603799584 1067705778 /nfs/dbraw/zinc/70/57/78/1067705778.db2.gz QBLSYVMRCKRJIM-QGZVFWFLSA-N 0 0 457.552 0.753 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603799604 1067705803 /nfs/dbraw/zinc/70/58/03/1067705803.db2.gz SZULWAXGBMQFIS-INIZCTEOSA-N 0 0 485.562 0.920 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603799610 1067705917 /nfs/dbraw/zinc/70/59/17/1067705917.db2.gz SZULWAXGBMQFIS-MRXNPFEDSA-N 0 0 485.562 0.920 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603799627 1067705853 /nfs/dbraw/zinc/70/58/53/1067705853.db2.gz QSONDLSFHGDPDV-IBGZPJMESA-N 0 0 470.570 0.895 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603799629 1067705902 /nfs/dbraw/zinc/70/59/02/1067705902.db2.gz QSONDLSFHGDPDV-LJQANCHMSA-N 0 0 470.570 0.895 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1OC ZINC000603799639 1067705823 /nfs/dbraw/zinc/70/58/23/1067705823.db2.gz QZSCVZFCMCJDKH-GOSISDBHSA-N 0 0 499.589 0.858 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1OC ZINC000603799641 1067705941 /nfs/dbraw/zinc/70/59/41/1067705941.db2.gz QZSCVZFCMCJDKH-SFHVURJKSA-N 0 0 499.589 0.858 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000603799661 1067705814 /nfs/dbraw/zinc/70/58/14/1067705814.db2.gz RJYXBVLJXJCYBY-FQEVSTJZSA-N 0 0 482.606 0.349 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000603799663 1067705893 /nfs/dbraw/zinc/70/58/93/1067705893.db2.gz RJYXBVLJXJCYBY-HXUWFJFHSA-N 0 0 482.606 0.349 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603799681 1067705874 /nfs/dbraw/zinc/70/58/74/1067705874.db2.gz RRJSEIVGOOKWOJ-NRFANRHFSA-N 0 0 496.633 0.603 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603799682 1067705882 /nfs/dbraw/zinc/70/58/82/1067705882.db2.gz RRJSEIVGOOKWOJ-OAQYLSRUSA-N 0 0 496.633 0.603 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603799698 1067705844 /nfs/dbraw/zinc/70/58/44/1067705844.db2.gz RWFDITAMNVWLOK-KRWDZBQOSA-N 0 0 470.507 0.359 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000603799701 1067705797 /nfs/dbraw/zinc/70/57/97/1067705797.db2.gz RWFDITAMNVWLOK-QGZVFWFLSA-N 0 0 470.507 0.359 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603799706 1067705934 /nfs/dbraw/zinc/70/59/34/1067705934.db2.gz UZUOPTORBWMPRH-INIZCTEOSA-N 0 0 458.496 0.263 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 ZINC000603799708 1067705833 /nfs/dbraw/zinc/70/58/33/1067705833.db2.gz UZUOPTORBWMPRH-MRXNPFEDSA-N 0 0 458.496 0.263 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603799715 1067705927 /nfs/dbraw/zinc/70/59/27/1067705927.db2.gz SBFOIXNLPPHDNZ-IBGZPJMESA-N 0 0 476.558 0.999 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@H]1CCCO1 ZINC000603799726 1067705769 /nfs/dbraw/zinc/70/57/69/1067705769.db2.gz SBFOIXNLPPHDNZ-LJQANCHMSA-N 0 0 476.558 0.999 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000603799728 1067705745 /nfs/dbraw/zinc/70/57/45/1067705745.db2.gz SDMACXKNZRGFOC-NRFANRHFSA-N 0 0 496.633 0.657 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1 ZINC000603799733 1067705785 /nfs/dbraw/zinc/70/57/85/1067705785.db2.gz SDMACXKNZRGFOC-OAQYLSRUSA-N 0 0 496.633 0.657 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603799786 1067705500 /nfs/dbraw/zinc/70/55/00/1067705500.db2.gz TYEPVKRVJAYLRC-IBGZPJMESA-N 0 0 469.563 0.849 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603799787 1067705489 /nfs/dbraw/zinc/70/54/89/1067705489.db2.gz TYEPVKRVJAYLRC-LJQANCHMSA-N 0 0 469.563 0.849 20 30 JCEDRN Cc1ccccc1-n1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603800019 1067706716 /nfs/dbraw/zinc/70/67/16/1067706716.db2.gz OYCVQIVLEOUCGH-UHFFFAOYSA-N 0 0 475.574 0.554 20 30 JCEDRN Cc1ccccc1-n1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603800063 1067706644 /nfs/dbraw/zinc/70/66/44/1067706644.db2.gz RGKQKNXQWCYPHS-UHFFFAOYSA-N 0 0 475.574 0.554 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603800203 1067706572 /nfs/dbraw/zinc/70/65/72/1067706572.db2.gz VVUQORHVWZEWSL-INIZCTEOSA-N 0 0 473.551 0.372 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603800204 1067706636 /nfs/dbraw/zinc/70/66/36/1067706636.db2.gz VVUQORHVWZEWSL-MRXNPFEDSA-N 0 0 473.551 0.372 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603800251 1067706743 /nfs/dbraw/zinc/70/67/43/1067706743.db2.gz UYSINENCBZQITB-GOSISDBHSA-N 0 0 452.536 0.829 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603800253 1067706607 /nfs/dbraw/zinc/70/66/07/1067706607.db2.gz UYSINENCBZQITB-SFHVURJKSA-N 0 0 452.536 0.829 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(OC)cc1 ZINC000603800275 1067706658 /nfs/dbraw/zinc/70/66/58/1067706658.db2.gz KBXVNSSYSKHKEG-UHFFFAOYSA-N 0 0 450.520 0.627 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1OC ZINC000603800381 1067706704 /nfs/dbraw/zinc/70/67/04/1067706704.db2.gz VTQFOWHQPJNNHS-KRWDZBQOSA-N 0 0 485.562 0.468 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1OC ZINC000603800383 1067706550 /nfs/dbraw/zinc/70/65/50/1067706550.db2.gz VTQFOWHQPJNNHS-QGZVFWFLSA-N 0 0 485.562 0.468 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)cc1OC ZINC000603800427 1067706560 /nfs/dbraw/zinc/70/65/60/1067706560.db2.gz XSNAWULMDXQFDW-KRWDZBQOSA-N 0 0 487.578 0.762 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)cc1OC ZINC000603800430 1067706151 /nfs/dbraw/zinc/70/61/51/1067706151.db2.gz XSNAWULMDXQFDW-QGZVFWFLSA-N 0 0 487.578 0.762 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603800510 1067706185 /nfs/dbraw/zinc/70/61/85/1067706185.db2.gz WPUJTIQVPXTQAS-IBGZPJMESA-N 0 0 468.579 0.040 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000603800512 1067706207 /nfs/dbraw/zinc/70/62/07/1067706207.db2.gz YJVOPNXBKHXMCR-INIZCTEOSA-N 0 0 485.562 0.920 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1C[C@H]1CCCO1 ZINC000603800515 1067706304 /nfs/dbraw/zinc/70/63/04/1067706304.db2.gz YJVOPNXBKHXMCR-MRXNPFEDSA-N 0 0 485.562 0.920 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 ZINC000603800526 1067706311 /nfs/dbraw/zinc/70/63/11/1067706311.db2.gz WPUJTIQVPXTQAS-LJQANCHMSA-N 0 0 468.579 0.040 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C[C@@H]1CCCO1 ZINC000603800603 1067706245 /nfs/dbraw/zinc/70/62/45/1067706245.db2.gz ZMUCJZDHLWAXTG-KRWDZBQOSA-N 0 0 473.551 0.372 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C[C@H]1CCCO1 ZINC000603800606 1067706145 /nfs/dbraw/zinc/70/61/45/1067706145.db2.gz ZMUCJZDHLWAXTG-QGZVFWFLSA-N 0 0 473.551 0.372 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603800671 1067706289 /nfs/dbraw/zinc/70/62/89/1067706289.db2.gz XSBMEYXJYAIMEW-GOSISDBHSA-N 0 0 497.577 0.664 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603800674 1067706227 /nfs/dbraw/zinc/70/62/27/1067706227.db2.gz XSBMEYXJYAIMEW-SFHVURJKSA-N 0 0 497.577 0.664 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1F ZINC000603800693 1067706276 /nfs/dbraw/zinc/70/62/76/1067706276.db2.gz QJIHMECDBBFHIM-UHFFFAOYSA-N 0 0 478.549 0.990 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1F ZINC000603800964 1067707152 /nfs/dbraw/zinc/70/71/52/1067707152.db2.gz OVQWJDRHMFLJDG-UHFFFAOYSA-N 0 0 486.500 0.722 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1F ZINC000603801036 1067707100 /nfs/dbraw/zinc/70/71/00/1067707100.db2.gz RQRLQVUIINTHMV-UHFFFAOYSA-N 0 0 497.527 0.524 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603801120 1067706761 /nfs/dbraw/zinc/70/67/61/1067706761.db2.gz YIUMKDHHXCLTFE-FQEVSTJZSA-N 0 0 498.605 0.049 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603801121 1067706753 /nfs/dbraw/zinc/70/67/53/1067706753.db2.gz YIUMKDHHXCLTFE-HXUWFJFHSA-N 0 0 498.605 0.049 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603801131 1067706582 /nfs/dbraw/zinc/70/65/82/1067706582.db2.gz YOWAEESMPOZEHF-INIZCTEOSA-N 0 0 458.609 0.817 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603801132 1067706680 /nfs/dbraw/zinc/70/66/80/1067706680.db2.gz YOWAEESMPOZEHF-MRXNPFEDSA-N 0 0 458.609 0.817 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603801133 1067706620 /nfs/dbraw/zinc/70/66/20/1067706620.db2.gz YPRQZPTUEPTNAY-IBGZPJMESA-N 0 0 482.606 0.765 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603801134 1067706721 /nfs/dbraw/zinc/70/67/21/1067706721.db2.gz YPRQZPTUEPTNAY-LJQANCHMSA-N 0 0 482.606 0.765 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603801156 1067707021 /nfs/dbraw/zinc/70/70/21/1067707021.db2.gz YVVHSGWJWLXROM-GOSISDBHSA-N 0 0 455.536 0.459 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603801159 1067707083 /nfs/dbraw/zinc/70/70/83/1067707083.db2.gz YVVHSGWJWLXROM-SFHVURJKSA-N 0 0 455.536 0.459 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000603801207 1067706668 /nfs/dbraw/zinc/70/66/68/1067706668.db2.gz ZVADYGYIKLRJSM-FQEVSTJZSA-N 0 0 482.606 0.349 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000603801208 1067706771 /nfs/dbraw/zinc/70/67/71/1067706771.db2.gz ZVADYGYIKLRJSM-HXUWFJFHSA-N 0 0 482.606 0.349 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1F ZINC000603801532 1067706696 /nfs/dbraw/zinc/70/66/96/1067706696.db2.gz YIQHJTIVVWXALE-UHFFFAOYSA-N 0 0 497.527 0.524 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1C ZINC000603801596 1067706537 /nfs/dbraw/zinc/70/65/37/1067706537.db2.gz AYAHXGDBGVOFFB-UHFFFAOYSA-N 0 0 489.601 0.862 20 30 JCEDRN CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 ZINC000603804281 1067708319 /nfs/dbraw/zinc/70/83/19/1067708319.db2.gz UYTYNYOQJLFDLL-UHFFFAOYSA-N 0 0 483.597 0.744 20 30 JCEDRN CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 ZINC000603804306 1067709709 /nfs/dbraw/zinc/70/97/09/1067709709.db2.gz ZPLAQKBDAPOYLP-UHFFFAOYSA-N 0 0 483.597 0.744 20 30 JCEDRN CS(=O)(=O)NC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCCC1 ZINC000603806362 1067708312 /nfs/dbraw/zinc/70/83/12/1067708312.db2.gz VQYPYKVVAWTIHX-UHFFFAOYSA-N 0 0 483.616 0.826 20 30 JCEDRN CN(CCCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)S(C)(=O)=O ZINC000603822747 1067709806 /nfs/dbraw/zinc/70/98/06/1067709806.db2.gz NSPFFGFCVNLZIU-UHFFFAOYSA-N 0 0 451.528 0.979 20 30 JCEDRN CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000603824150 1067710028 /nfs/dbraw/zinc/71/00/28/1067710028.db2.gz SNVMMFCPQLAEGW-UHFFFAOYSA-N 0 0 457.578 0.292 20 30 JCEDRN CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000603824156 1067710137 /nfs/dbraw/zinc/71/01/37/1067710137.db2.gz WEPVMIQLDKMEIP-UHFFFAOYSA-N 0 0 457.578 0.292 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCN1CCOCC1 ZINC000603825963 1067710012 /nfs/dbraw/zinc/71/00/12/1067710012.db2.gz FYHMXHSIHFPNDE-UHFFFAOYSA-N 0 0 477.384 0.254 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603826080 1067710146 /nfs/dbraw/zinc/71/01/46/1067710146.db2.gz CROYIHFWQXADKB-AWEZNQCLSA-N 0 0 459.524 0.364 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603826081 1067710073 /nfs/dbraw/zinc/71/00/73/1067710073.db2.gz CROYIHFWQXADKB-CQSZACIVSA-N 0 0 459.524 0.364 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCN1CCOCC1 ZINC000603826104 1067710104 /nfs/dbraw/zinc/71/01/04/1067710104.db2.gz MOXRSIUACZIXMP-UHFFFAOYSA-N 0 0 450.923 0.284 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1Cc1ccccc1 ZINC000603826141 1067709996 /nfs/dbraw/zinc/70/99/96/1067709996.db2.gz VLHPXDFYOKPNCP-UHFFFAOYSA-N 0 0 477.542 0.995 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCN1CCOCC1 ZINC000603826201 1067710061 /nfs/dbraw/zinc/71/00/61/1067710061.db2.gz AZVRHLIYMCKQBC-UHFFFAOYSA-N 0 0 466.485 0.510 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CCN1CCOCC1 ZINC000603826428 1067710053 /nfs/dbraw/zinc/71/00/53/1067710053.db2.gz BRQKQARXQQEYGU-UHFFFAOYSA-N 0 0 467.378 0.798 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCN1CCOCC1 ZINC000603826436 1067710112 /nfs/dbraw/zinc/71/01/12/1067710112.db2.gz FPWSXCNSQCTDCN-UHFFFAOYSA-N 0 0 464.494 0.092 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCN1CCOCC1 ZINC000603826495 1067710078 /nfs/dbraw/zinc/71/00/78/1067710078.db2.gz UAWJNOIYKDFRJO-UHFFFAOYSA-N 0 0 477.384 0.254 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000603834947 1067710515 /nfs/dbraw/zinc/71/05/15/1067710515.db2.gz ZMKOSBZRGFMKKE-UHFFFAOYSA-N 0 0 459.503 0.759 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000603846492 1067710764 /nfs/dbraw/zinc/71/07/64/1067710764.db2.gz DJDZHHWXRKRMCE-GGPKGHCWSA-N 0 0 452.577 0.464 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000603846493 1067710939 /nfs/dbraw/zinc/71/09/39/1067710939.db2.gz DJDZHHWXRKRMCE-NSHGMRRFSA-N 0 0 452.577 0.464 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000603846494 1067710917 /nfs/dbraw/zinc/71/09/17/1067710917.db2.gz DJDZHHWXRKRMCE-QWFCFKBJSA-N 0 0 452.577 0.464 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000603846495 1067710902 /nfs/dbraw/zinc/71/09/02/1067710902.db2.gz DJDZHHWXRKRMCE-WSTZPKSXSA-N 0 0 452.577 0.464 20 30 JCEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1C ZINC000603847236 1068056194 /nfs/dbraw/zinc/05/61/94/1068056194.db2.gz KLXFRGNQYDIMIH-UHFFFAOYSA-N 0 0 462.620 0.660 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000603852183 1067711475 /nfs/dbraw/zinc/71/14/75/1067711475.db2.gz GAAKFVKGUGNHAZ-UHFFFAOYSA-N 0 0 458.563 0.718 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000603860304 1067711862 /nfs/dbraw/zinc/71/18/62/1067711862.db2.gz URZFMZMCDHXOGN-UHFFFAOYSA-N 0 0 487.607 0.911 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)CC1 ZINC000603876071 1067712706 /nfs/dbraw/zinc/71/27/06/1067712706.db2.gz NQFWELCZIDTKNR-UHFFFAOYSA-N 0 0 473.555 0.980 20 30 JCEDRN CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000603877013 1067713163 /nfs/dbraw/zinc/71/31/63/1067713163.db2.gz WMSBRBZJFVWLPL-HNNXBMFYSA-N 0 0 462.532 0.468 20 30 JCEDRN CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000603877014 1067713183 /nfs/dbraw/zinc/71/31/83/1067713183.db2.gz WMSBRBZJFVWLPL-OAHLLOKOSA-N 0 0 462.532 0.468 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)CC2)cc1 ZINC000603880747 1067713212 /nfs/dbraw/zinc/71/32/12/1067713212.db2.gz GQVUMVVXRSEBCY-UHFFFAOYSA-N 0 0 482.566 0.802 20 30 JCEDRN COCCN(C(=O)CCC(=O)N[C@]1(C#N)CCSC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000603883373 1067713233 /nfs/dbraw/zinc/71/32/33/1067713233.db2.gz OMYDUEQDNAPLDS-FQEVSTJZSA-N 0 0 466.564 0.462 20 30 JCEDRN COCCN(C(=O)CCC(=O)N[C@@]1(C#N)CCSC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000603883375 1067713156 /nfs/dbraw/zinc/71/31/56/1067713156.db2.gz OMYDUEQDNAPLDS-HXUWFJFHSA-N 0 0 466.564 0.462 20 30 JCEDRN COCCn1cnc2c1c(=O)n(CC(=O)N[C@@]1(C#N)CCSC1)c(=O)n2Cc1ccccc1 ZINC000603885409 1067713105 /nfs/dbraw/zinc/71/31/05/1067713105.db2.gz GQUIKWMQFVUIER-JOCHJYFZSA-N 0 0 468.539 0.570 20 30 JCEDRN COCCn1cnc2c1c(=O)n(CC(=O)N[C@]1(C#N)CCSC1)c(=O)n2Cc1ccccc1 ZINC000603885410 1067713150 /nfs/dbraw/zinc/71/31/50/1067713150.db2.gz GQUIKWMQFVUIER-QFIPXVFZSA-N 0 0 468.539 0.570 20 30 JCEDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000603890695 1067713843 /nfs/dbraw/zinc/71/38/43/1067713843.db2.gz JLTGNYPZWJWTCY-HNNXBMFYSA-N 0 0 475.527 0.784 20 30 JCEDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000603890696 1067713736 /nfs/dbraw/zinc/71/37/36/1067713736.db2.gz JLTGNYPZWJWTCY-OAHLLOKOSA-N 0 0 475.527 0.784 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000603890741 1067713496 /nfs/dbraw/zinc/71/34/96/1067713496.db2.gz OCYYYZGNKSXDKD-CYBMUJFWSA-N 0 0 488.360 0.860 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000603890742 1067713441 /nfs/dbraw/zinc/71/34/41/1067713441.db2.gz OCYYYZGNKSXDKD-ZDUSSCGKSA-N 0 0 488.360 0.860 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000603892123 1067714145 /nfs/dbraw/zinc/71/41/45/1067714145.db2.gz IMRJGFVHSRVCNH-UHFFFAOYSA-N 0 0 460.350 0.945 20 30 JCEDRN CN1CCN(C(=O)C2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000603895172 1067713217 /nfs/dbraw/zinc/71/32/17/1067713217.db2.gz UYPDSRXFEWRJBP-UHFFFAOYSA-N 0 0 487.626 0.972 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 ZINC000603902098 1068056650 /nfs/dbraw/zinc/05/66/50/1068056650.db2.gz AWCDZPVKQGTPJQ-UHFFFAOYSA-N 0 0 450.542 0.728 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000603907632 1067714795 /nfs/dbraw/zinc/71/47/95/1067714795.db2.gz YJZOFXZXRVFIRC-UHFFFAOYSA-N 0 0 450.542 0.745 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)CC2)cc1 ZINC000603911917 1067715259 /nfs/dbraw/zinc/71/52/59/1067715259.db2.gz WYFNTZIIAWFWBZ-UHFFFAOYSA-N 0 0 483.550 0.490 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000603913961 1067716016 /nfs/dbraw/zinc/71/60/16/1067716016.db2.gz WTWKXLCHPFEGTA-UHFFFAOYSA-N 0 0 464.525 0.118 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 ZINC000603919340 1067715957 /nfs/dbraw/zinc/71/59/57/1067715957.db2.gz CEMWCVHJRLUVER-UHFFFAOYSA-N 0 0 480.568 0.733 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000603919472 1067716060 /nfs/dbraw/zinc/71/60/60/1067716060.db2.gz JUNIPCHQDYVLIE-UHFFFAOYSA-N 0 0 465.553 0.714 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000603919526 1067715927 /nfs/dbraw/zinc/71/59/27/1067715927.db2.gz OCLZKCIJDNVLLA-UHFFFAOYSA-N 0 0 480.568 0.420 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)cc1 ZINC000603922028 1067715942 /nfs/dbraw/zinc/71/59/42/1067715942.db2.gz UNXQXWBOZPDIJO-UHFFFAOYSA-N 0 0 472.571 0.860 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000603922332 1067715951 /nfs/dbraw/zinc/71/59/51/1067715951.db2.gz MEGTVVLXNICDNJ-UHFFFAOYSA-N 0 0 469.523 0.381 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCN1CCOCC1 ZINC000603923071 1067716022 /nfs/dbraw/zinc/71/60/22/1067716022.db2.gz MILINYZIFAIACO-UHFFFAOYSA-N 0 0 466.485 0.510 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCN1CCOCC1 ZINC000603923176 1067716009 /nfs/dbraw/zinc/71/60/09/1067716009.db2.gz ULPTVMYNJMYOHQ-UHFFFAOYSA-N 0 0 464.494 0.092 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCN1CCOCC1 ZINC000603923494 1067715978 /nfs/dbraw/zinc/71/59/78/1067715978.db2.gz WABSLMROZLYGQO-UHFFFAOYSA-N 0 0 466.485 0.510 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603924184 1067716492 /nfs/dbraw/zinc/71/64/92/1067716492.db2.gz HLLHSOIVLYQZSM-CYBMUJFWSA-N 0 0 465.478 0.948 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603924185 1067716505 /nfs/dbraw/zinc/71/65/05/1067716505.db2.gz HLLHSOIVLYQZSM-ZDUSSCGKSA-N 0 0 465.478 0.948 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000603924204 1067716499 /nfs/dbraw/zinc/71/64/99/1067716499.db2.gz NBDHXXLRWVUINE-UHFFFAOYSA-N 0 0 494.520 0.101 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603924483 1067716398 /nfs/dbraw/zinc/71/63/98/1067716398.db2.gz DQWRHJIWEWVBFN-UHFFFAOYSA-N 0 0 476.549 0.940 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000603928613 1067715216 /nfs/dbraw/zinc/71/52/16/1067715216.db2.gz GWIZRWVJTSDHJS-UHFFFAOYSA-N 0 0 451.486 0.625 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)cc1 ZINC000603930725 1067715699 /nfs/dbraw/zinc/71/56/99/1067715699.db2.gz KQRAHDWQQUVOKX-UHFFFAOYSA-N 0 0 451.486 0.625 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)cc1 ZINC000603931020 1067715657 /nfs/dbraw/zinc/71/56/57/1067715657.db2.gz VJXFCGXYPDBZGS-UHFFFAOYSA-N 0 0 451.486 0.625 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCS(=O)(=O)N3CCCC3)CC2)cc1 ZINC000603933714 1067715729 /nfs/dbraw/zinc/71/57/29/1067715729.db2.gz KYAOSHBAVYHBET-UHFFFAOYSA-N 0 0 454.574 0.597 20 30 JCEDRN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000603934799 1067717184 /nfs/dbraw/zinc/71/71/84/1067717184.db2.gz YDQBVSHPSWHIRJ-UHFFFAOYSA-N 0 0 478.552 0.838 20 30 JCEDRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000603934821 1067717324 /nfs/dbraw/zinc/71/73/24/1067717324.db2.gz BSTJYBROVLTASC-UHFFFAOYSA-N 0 0 478.552 0.984 20 30 JCEDRN CS(=O)(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000603934823 1067717149 /nfs/dbraw/zinc/71/71/49/1067717149.db2.gz BXJKLYWQIAWMFG-UHFFFAOYSA-N 0 0 478.552 0.984 20 30 JCEDRN N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000603939399 1067716429 /nfs/dbraw/zinc/71/64/29/1067716429.db2.gz NBALESRESAKFPW-UHFFFAOYSA-N 0 0 451.508 0.948 20 30 JCEDRN N#Cc1cccc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 ZINC000603939605 1067716420 /nfs/dbraw/zinc/71/64/20/1067716420.db2.gz XVYQTOOTGCJKTR-UHFFFAOYSA-N 0 0 451.508 0.948 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000603942402 1067716876 /nfs/dbraw/zinc/71/68/76/1067716876.db2.gz BCZDITWBEUVLFA-UHFFFAOYSA-N 0 0 478.552 0.174 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NCCCOCC ZINC000603985723 1067718123 /nfs/dbraw/zinc/71/81/23/1067718123.db2.gz AXKRHJXIASBHBI-UHFFFAOYSA-N 0 0 455.536 0.913 20 30 JCEDRN C=CCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603985755 1067717934 /nfs/dbraw/zinc/71/79/34/1067717934.db2.gz CRBSOZSVROCMOI-UHFFFAOYSA-N 0 0 459.553 0.733 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OCC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603985826 1067718078 /nfs/dbraw/zinc/71/80/78/1067718078.db2.gz DTJHPDHKNQLERM-UHFFFAOYSA-N 0 0 468.579 0.446 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OCCOC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603985924 1067717949 /nfs/dbraw/zinc/71/79/49/1067717949.db2.gz FYLWDPCOSXXBEM-UHFFFAOYSA-N 0 0 455.536 0.483 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603986073 1067718011 /nfs/dbraw/zinc/71/80/11/1067718011.db2.gz JSRLBJNPXYXRKQ-UHFFFAOYSA-N 0 0 466.563 0.534 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603986101 1067717975 /nfs/dbraw/zinc/71/79/75/1067717975.db2.gz LTOOZVSFVFHWAN-UHFFFAOYSA-N 0 0 480.590 0.924 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000603986194 1067718465 /nfs/dbraw/zinc/71/84/65/1067718465.db2.gz PUPZFNWZKXUOMA-UHFFFAOYSA-N 0 0 455.536 0.913 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc(OCCC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603986255 1067718002 /nfs/dbraw/zinc/71/80/02/1067718002.db2.gz QPDRIVYWDGGDCR-UHFFFAOYSA-N 0 0 482.606 0.836 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603986271 1068057456 /nfs/dbraw/zinc/05/74/56/1068057456.db2.gz QQEYHPCJORRTGJ-UHFFFAOYSA-N 0 0 496.589 0.209 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603986382 1067718129 /nfs/dbraw/zinc/71/81/29/1067718129.db2.gz YWGCZBIWDYSOGQ-UHFFFAOYSA-N 0 0 452.536 0.492 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603986605 1067718104 /nfs/dbraw/zinc/71/81/04/1067718104.db2.gz BFECQDUFIFSCCB-UHFFFAOYSA-N 0 0 471.535 0.427 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000603986629 1067718144 /nfs/dbraw/zinc/71/81/44/1067718144.db2.gz FOKGXXFLZHJOMB-UHFFFAOYSA-N 0 0 487.578 0.763 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603986647 1067718088 /nfs/dbraw/zinc/71/80/88/1067718088.db2.gz IKYQJADPUDSEQC-UHFFFAOYSA-N 0 0 499.589 0.860 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000603987396 1067718412 /nfs/dbraw/zinc/71/84/12/1067718412.db2.gz JUSCLAUDJYWILS-UHFFFAOYSA-N 0 0 455.536 0.889 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NCCOC ZINC000603987436 1067718396 /nfs/dbraw/zinc/71/83/96/1067718396.db2.gz KXGDADNHADXTDC-UHFFFAOYSA-N 0 0 457.552 0.537 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603987445 1067718401 /nfs/dbraw/zinc/71/84/01/1067718401.db2.gz LGAXLUNPSFNRAE-UHFFFAOYSA-N 0 0 498.605 0.433 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000603987500 1067718422 /nfs/dbraw/zinc/71/84/22/1067718422.db2.gz MNEMOGSHXXUQPJ-INIZCTEOSA-N 0 0 471.579 0.925 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000603987501 1067718444 /nfs/dbraw/zinc/71/84/44/1067718444.db2.gz MNEMOGSHXXUQPJ-MRXNPFEDSA-N 0 0 471.579 0.925 20 30 JCEDRN CCCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603987518 1067718484 /nfs/dbraw/zinc/71/84/84/1067718484.db2.gz NGHPGQDQJWRRBB-UHFFFAOYSA-N 0 0 477.568 0.241 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc(OCC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603987542 1067718361 /nfs/dbraw/zinc/71/83/61/1067718361.db2.gz PAANTDQZIUGBOM-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603987705 1067718417 /nfs/dbraw/zinc/71/84/17/1067718417.db2.gz QESAIKMNNLQCDZ-UHFFFAOYSA-N 0 0 485.562 0.469 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCCOCC ZINC000603987717 1067718450 /nfs/dbraw/zinc/71/84/50/1067718450.db2.gz QXMUFYLOOTZABE-UHFFFAOYSA-N 0 0 455.536 0.913 20 30 JCEDRN CCCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603987770 1067718430 /nfs/dbraw/zinc/71/84/30/1067718430.db2.gz SQBVYMMVZZJSFJ-UHFFFAOYSA-N 0 0 461.569 0.957 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603987873 1067718406 /nfs/dbraw/zinc/71/84/06/1067718406.db2.gz VZCYQNLBRHVJJE-UHFFFAOYSA-N 0 0 469.563 0.633 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603988221 1067718379 /nfs/dbraw/zinc/71/83/79/1067718379.db2.gz ZQHLAKVKLOEEOH-UHFFFAOYSA-N 0 0 496.633 0.938 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603988683 1067718458 /nfs/dbraw/zinc/71/84/58/1067718458.db2.gz CAMYPCMWBBWPTR-UHFFFAOYSA-N 0 0 484.578 0.246 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603988709 1067718353 /nfs/dbraw/zinc/71/83/53/1067718353.db2.gz DJPXZDRKIUTGIA-UHFFFAOYSA-N 0 0 491.595 0.487 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603988728 1067718369 /nfs/dbraw/zinc/71/83/69/1067718369.db2.gz FIGOOHFQSQTUCD-UHFFFAOYSA-N 0 0 468.579 0.758 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603988923 1067718468 /nfs/dbraw/zinc/71/84/68/1067718468.db2.gz MBQNUJPJQNJYCV-UHFFFAOYSA-N 0 0 484.578 0.042 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCO4)c(=O)n2CC(C)C)CC1 ZINC000603988943 1067718343 /nfs/dbraw/zinc/71/83/43/1067718343.db2.gz NDPRYRCYGPLTQW-UHFFFAOYSA-N 0 0 468.579 0.962 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603989084 1067719627 /nfs/dbraw/zinc/71/96/27/1067719627.db2.gz NRILJCYQKALXLU-UHFFFAOYSA-N 0 0 455.536 0.699 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000603989147 1067719227 /nfs/dbraw/zinc/71/92/27/1067719227.db2.gz SAYWRDORXLLTCW-UHFFFAOYSA-N 0 0 452.580 0.922 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CC(C)C ZINC000603989175 1067719618 /nfs/dbraw/zinc/71/96/18/1067719618.db2.gz UIPRDKKJNHGJES-UHFFFAOYSA-N 0 0 457.552 0.993 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c1 ZINC000603989180 1067719490 /nfs/dbraw/zinc/71/94/90/1067719490.db2.gz USJZLWMXHPRXJJ-UHFFFAOYSA-N 0 0 471.579 0.953 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)c1 ZINC000603989208 1067719174 /nfs/dbraw/zinc/71/91/74/1067719174.db2.gz WWBQUOBPUDBBAE-UHFFFAOYSA-N 0 0 484.622 0.916 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603989239 1067719657 /nfs/dbraw/zinc/71/96/57/1067719657.db2.gz ZJADQFHAXANGJX-UHFFFAOYSA-N 0 0 482.606 0.452 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCO4)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000603989502 1067719134 /nfs/dbraw/zinc/71/91/34/1067719134.db2.gz AMNAHRYCKWIFED-GOSISDBHSA-N 0 0 496.589 0.485 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCO4)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000603989503 1067719160 /nfs/dbraw/zinc/71/91/60/1067719160.db2.gz AMNAHRYCKWIFED-SFHVURJKSA-N 0 0 496.589 0.485 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989542 1067719120 /nfs/dbraw/zinc/71/91/20/1067719120.db2.gz DBKNGUSJFIEHGD-INIZCTEOSA-N 0 0 455.536 0.888 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989543 1067719083 /nfs/dbraw/zinc/71/90/83/1067719083.db2.gz DBKNGUSJFIEHGD-MRXNPFEDSA-N 0 0 455.536 0.888 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989546 1067719094 /nfs/dbraw/zinc/71/90/94/1067719094.db2.gz DGYXSMONIUCMLO-GOSISDBHSA-N 0 0 499.589 0.906 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989547 1067719113 /nfs/dbraw/zinc/71/91/13/1067719113.db2.gz DGYXSMONIUCMLO-SFHVURJKSA-N 0 0 499.589 0.906 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989575 1067719203 /nfs/dbraw/zinc/71/92/03/1067719203.db2.gz FSBSWOMDFHGAJJ-INIZCTEOSA-N 0 0 469.519 0.179 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989576 1067719152 /nfs/dbraw/zinc/71/91/52/1067719152.db2.gz FSBSWOMDFHGAJJ-MRXNPFEDSA-N 0 0 469.519 0.179 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989580 1067719106 /nfs/dbraw/zinc/71/91/06/1067719106.db2.gz FYFDRVASAIAHRK-CRAIPNDOSA-N 0 0 469.563 0.678 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989581 1067719146 /nfs/dbraw/zinc/71/91/46/1067719146.db2.gz FYFDRVASAIAHRK-MAUKXSAKSA-N 0 0 469.563 0.678 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989582 1067719072 /nfs/dbraw/zinc/71/90/72/1067719072.db2.gz FYFDRVASAIAHRK-QAPCUYQASA-N 0 0 469.563 0.678 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989583 1067719056 /nfs/dbraw/zinc/71/90/56/1067719056.db2.gz FYFDRVASAIAHRK-YJBOKZPZSA-N 0 0 469.563 0.678 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989592 1067719197 /nfs/dbraw/zinc/71/91/97/1067719197.db2.gz GMFYMNRSUZYENK-HNNXBMFYSA-N 0 0 457.508 0.083 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989729 1067719212 /nfs/dbraw/zinc/71/92/12/1067719212.db2.gz GMFYMNRSUZYENK-OAHLLOKOSA-N 0 0 457.508 0.083 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989746 1067718752 /nfs/dbraw/zinc/71/87/52/1067718752.db2.gz GSXPRSDSSDPVHO-INIZCTEOSA-N 0 0 471.535 0.473 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989747 1067719183 /nfs/dbraw/zinc/71/91/83/1067719183.db2.gz GSXPRSDSSDPVHO-MRXNPFEDSA-N 0 0 471.535 0.473 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000603989751 1067718831 /nfs/dbraw/zinc/71/88/31/1067718831.db2.gz GTQFKKKMKYDNQG-FQEVSTJZSA-N 0 0 499.589 0.476 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1 ZINC000603989752 1067718771 /nfs/dbraw/zinc/71/87/71/1067718771.db2.gz GTQFKKKMKYDNQG-HXUWFJFHSA-N 0 0 499.589 0.476 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989772 1067718802 /nfs/dbraw/zinc/71/88/02/1067718802.db2.gz HXRCDQYYARAYRR-KRWDZBQOSA-N 0 0 485.562 0.516 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989773 1067718777 /nfs/dbraw/zinc/71/87/77/1067718777.db2.gz HXRCDQYYARAYRR-QGZVFWFLSA-N 0 0 485.562 0.516 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989775 1067718790 /nfs/dbraw/zinc/71/87/90/1067718790.db2.gz IELCKCHJUUUFLV-GOSISDBHSA-N 0 0 467.547 0.386 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989776 1067718806 /nfs/dbraw/zinc/71/88/06/1067718806.db2.gz IELCKCHJUUUFLV-SFHVURJKSA-N 0 0 467.547 0.386 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000603989791 1067718766 /nfs/dbraw/zinc/71/87/66/1067718766.db2.gz AIVXGNRCPUJYMN-UHFFFAOYSA-N 0 0 491.595 0.487 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000603989797 1067718817 /nfs/dbraw/zinc/71/88/17/1067718817.db2.gz AWRUYEYCKCFAEB-UHFFFAOYSA-N 0 0 482.606 0.766 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCN1CCOCC1 ZINC000603989801 1067718800 /nfs/dbraw/zinc/71/88/00/1067718800.db2.gz BJZWBYVAGLLGKH-UHFFFAOYSA-N 0 0 482.606 0.836 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603989816 1067718813 /nfs/dbraw/zinc/71/88/13/1067718813.db2.gz JWQACEMYYFIFPI-GOSISDBHSA-N 0 0 497.573 0.612 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603989818 1067719188 /nfs/dbraw/zinc/71/91/88/1067719188.db2.gz JWQACEMYYFIFPI-SFHVURJKSA-N 0 0 497.573 0.612 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCN1CCOCC1 ZINC000603989822 1067718794 /nfs/dbraw/zinc/71/87/94/1067718794.db2.gz CUIICYUTGUGRLF-UHFFFAOYSA-N 0 0 470.595 0.670 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000603989832 1067719127 /nfs/dbraw/zinc/71/91/27/1067719127.db2.gz DQOTXWDDGNCXKK-UHFFFAOYSA-N 0 0 462.553 0.940 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1 ZINC000603989835 1067719219 /nfs/dbraw/zinc/71/92/19/1067719219.db2.gz FCCKSIXICAMQMV-UHFFFAOYSA-N 0 0 482.606 0.812 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCN1CCOCC1 ZINC000603989836 1067718760 /nfs/dbraw/zinc/71/87/60/1067718760.db2.gz FQRUPVIIJCOPHV-UHFFFAOYSA-N 0 0 498.605 0.433 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CCN1CCOCC1 ZINC000603989850 1067718837 /nfs/dbraw/zinc/71/88/37/1067718837.db2.gz GVJPXWSTDKSGED-UHFFFAOYSA-N 0 0 467.378 0.798 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCN1CCOCC1 ZINC000603989874 1068057503 /nfs/dbraw/zinc/05/75/03/1068057503.db2.gz ITPWJLRSBYKECY-UHFFFAOYSA-N 0 0 468.579 0.446 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000603989880 1067718782 /nfs/dbraw/zinc/71/87/82/1067718782.db2.gz JKDQLHXBPSTPNU-UHFFFAOYSA-N 0 0 489.579 0.337 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000603989890 1067718388 /nfs/dbraw/zinc/71/83/88/1067718388.db2.gz JUVAXAYYYLZTRY-UHFFFAOYSA-N 0 0 475.552 0.017 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000603989892 1067718786 /nfs/dbraw/zinc/71/87/86/1067718786.db2.gz KEGMHFZFGNBDQC-UHFFFAOYSA-N 0 0 498.605 0.003 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000603989912 1067718755 /nfs/dbraw/zinc/71/87/55/1067718755.db2.gz MZIAELGUJGEBFA-UHFFFAOYSA-N 0 0 477.568 0.241 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc1 ZINC000603989917 1067718489 /nfs/dbraw/zinc/71/84/89/1067718489.db2.gz OEVZQCXIMQCKHM-UHFFFAOYSA-N 0 0 469.563 0.757 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CCN1CCOCC1 ZINC000603989922 1067718796 /nfs/dbraw/zinc/71/87/96/1067718796.db2.gz OMHWONCRULLZLR-UHFFFAOYSA-N 0 0 464.547 0.751 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000603989929 1067718747 /nfs/dbraw/zinc/71/87/47/1067718747.db2.gz PERUKYDRTKNHJW-UHFFFAOYSA-N 0 0 470.595 0.668 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCN1CCOCC1 ZINC000603989934 1067718826 /nfs/dbraw/zinc/71/88/26/1067718826.db2.gz QAWPNSXZDGKGQS-UHFFFAOYSA-N 0 0 498.605 0.433 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCN1CCOCC1 ZINC000603990001 1067719649 /nfs/dbraw/zinc/71/96/49/1067719649.db2.gz SOVVJKRVDJHPPG-UHFFFAOYSA-N 0 0 484.578 0.041 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCN1CCOCC1 ZINC000603990024 1067721900 /nfs/dbraw/zinc/72/19/00/1067721900.db2.gz VWFORUXOAQBNGA-UHFFFAOYSA-N 0 0 482.562 0.096 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCN1CCOCC1 ZINC000603990026 1067721892 /nfs/dbraw/zinc/72/18/92/1067721892.db2.gz WBSXEUVLXOGRRM-UHFFFAOYSA-N 0 0 498.605 0.431 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCN1CCOCC1 ZINC000603990042 1067721887 /nfs/dbraw/zinc/72/18/87/1067721887.db2.gz WWVQPMWUJVFRLJ-UHFFFAOYSA-N 0 0 496.589 0.185 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603990143 1067721811 /nfs/dbraw/zinc/72/18/11/1067721811.db2.gz NFUXMAPHIOQPPN-KRWDZBQOSA-N 0 0 483.546 0.222 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603990144 1067721850 /nfs/dbraw/zinc/72/18/50/1067721850.db2.gz NFUXMAPHIOQPPN-QGZVFWFLSA-N 0 0 483.546 0.222 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000603990188 1068057444 /nfs/dbraw/zinc/05/74/44/1068057444.db2.gz QTZBFSBTLQSYTG-IBGZPJMESA-N 0 0 469.563 0.919 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000603990189 1068057429 /nfs/dbraw/zinc/05/74/29/1068057429.db2.gz QTZBFSBTLQSYTG-LJQANCHMSA-N 0 0 469.563 0.919 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603990223 1067721920 /nfs/dbraw/zinc/72/19/20/1067721920.db2.gz TUYZOKXNOUXMCT-KRWDZBQOSA-N 0 0 455.536 0.289 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603990224 1067721923 /nfs/dbraw/zinc/72/19/23/1067721923.db2.gz TUYZOKXNOUXMCT-QGZVFWFLSA-N 0 0 455.536 0.289 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603990228 1067721432 /nfs/dbraw/zinc/72/14/32/1067721432.db2.gz UNSWBPPFRFQZGM-INIZCTEOSA-N 0 0 453.520 0.665 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603990229 1067721567 /nfs/dbraw/zinc/72/15/67/1067721567.db2.gz UNSWBPPFRFQZGM-MRXNPFEDSA-N 0 0 453.520 0.665 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603990231 1067721793 /nfs/dbraw/zinc/72/17/93/1067721793.db2.gz URXOYBYGRCXJHN-KRWDZBQOSA-N 0 0 485.562 0.516 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603990232 1067721560 /nfs/dbraw/zinc/72/15/60/1067721560.db2.gz URXOYBYGRCXJHN-QGZVFWFLSA-N 0 0 485.562 0.516 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603990233 1067721929 /nfs/dbraw/zinc/72/19/29/1067721929.db2.gz USALJMDCCBAEHP-INIZCTEOSA-N 0 0 455.536 0.889 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603990234 1067721904 /nfs/dbraw/zinc/72/19/04/1067721904.db2.gz USALJMDCCBAEHP-MRXNPFEDSA-N 0 0 455.536 0.889 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603990261 1067721420 /nfs/dbraw/zinc/72/14/20/1067721420.db2.gz WAOFHKQUZJYYBU-KRWDZBQOSA-N 0 0 467.547 0.985 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603990266 1067721412 /nfs/dbraw/zinc/72/14/12/1067721412.db2.gz WAOFHKQUZJYYBU-QGZVFWFLSA-N 0 0 467.547 0.985 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000603990334 1067721474 /nfs/dbraw/zinc/72/14/74/1067721474.db2.gz ZOOUVNSUVPNOMN-IBGZPJMESA-N 0 0 469.563 0.849 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1 ZINC000603990335 1067721521 /nfs/dbraw/zinc/72/15/21/1067721521.db2.gz ZOOUVNSUVPNOMN-LJQANCHMSA-N 0 0 469.563 0.849 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603990341 1067721439 /nfs/dbraw/zinc/72/14/39/1067721439.db2.gz ZWUDUUSDGBRJBN-GOSISDBHSA-N 0 0 499.589 0.906 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603990344 1067721497 /nfs/dbraw/zinc/72/14/97/1067721497.db2.gz ZWUDUUSDGBRJBN-SFHVURJKSA-N 0 0 499.589 0.906 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 ZINC000603990345 1067721541 /nfs/dbraw/zinc/72/15/41/1067721541.db2.gz ZWUVUQXIBXAOKS-GOSISDBHSA-N 0 0 469.563 0.679 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000603990346 1067721587 /nfs/dbraw/zinc/72/15/87/1067721587.db2.gz ZWUVUQXIBXAOKS-SFHVURJKSA-N 0 0 469.563 0.679 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCN1CCOCC1 ZINC000603991150 1067721871 /nfs/dbraw/zinc/72/18/71/1067721871.db2.gz CIWWPVVQRBWRLW-UHFFFAOYSA-N 0 0 494.617 0.739 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCN1CCOCC1 ZINC000603991200 1067721909 /nfs/dbraw/zinc/72/19/09/1067721909.db2.gz JEYXCKDXOOFLBR-UHFFFAOYSA-N 0 0 482.606 0.452 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCN1CCOCC1 ZINC000603991290 1067721857 /nfs/dbraw/zinc/72/18/57/1067721857.db2.gz SPNXKRCKPKJASR-UHFFFAOYSA-N 0 0 468.579 0.205 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCN1CCOCC1 ZINC000603991474 1067721814 /nfs/dbraw/zinc/72/18/14/1067721814.db2.gz ZPLVLZVTWZKWDT-UHFFFAOYSA-N 0 0 480.590 0.302 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccccc1 ZINC000603992138 1067721880 /nfs/dbraw/zinc/72/18/80/1067721880.db2.gz DSKYEXLVLPTYGX-UHFFFAOYSA-N 0 0 463.515 0.952 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1 ZINC000603992330 1067721841 /nfs/dbraw/zinc/72/18/41/1067721841.db2.gz PGVZMBPUHNBXDU-UHFFFAOYSA-N 0 0 461.499 0.990 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1Cc1ccccc1 ZINC000603992469 1067721865 /nfs/dbraw/zinc/72/18/65/1067721865.db2.gz RPNKSGRCQQUKFK-UHFFFAOYSA-N 0 0 477.542 0.995 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 ZINC000603993003 1067721895 /nfs/dbraw/zinc/72/18/95/1067721895.db2.gz CZHFTLAZVPFLJG-UHFFFAOYSA-N 0 0 456.568 0.187 20 30 JCEDRN Cn1c(=O)c(=Cc2cccc(OC3CCCC3)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603993344 1067720301 /nfs/dbraw/zinc/72/03/01/1067720301.db2.gz QLTPNMRZYSZCDY-UHFFFAOYSA-N 0 0 482.606 0.720 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(-c3ccccc3)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603993407 1067720435 /nfs/dbraw/zinc/72/04/35/1067720435.db2.gz TYKQVIUORNNJCA-UHFFFAOYSA-N 0 0 464.547 0.658 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCCOC)c3)c(=O)n2C)CC1 ZINC000603993457 1067720444 /nfs/dbraw/zinc/72/04/44/1067720444.db2.gz XPZDOWQIWJSGMS-UHFFFAOYSA-N 0 0 456.568 0.139 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCC(=O)OC)c2=O)c1 ZINC000603994668 1067720472 /nfs/dbraw/zinc/72/04/72/1067720472.db2.gz CDAHVGAKMAHGES-UHFFFAOYSA-N 0 0 485.562 0.624 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NC(C)C ZINC000603994855 1067720478 /nfs/dbraw/zinc/72/04/78/1067720478.db2.gz LLNFZWRZATXVBQ-UHFFFAOYSA-N 0 0 455.536 0.826 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCC(=O)OC ZINC000603994883 1067720440 /nfs/dbraw/zinc/72/04/40/1067720440.db2.gz MUAXEXRRRQJVCO-UHFFFAOYSA-N 0 0 455.536 0.827 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)c1 ZINC000603994973 1067720425 /nfs/dbraw/zinc/72/04/25/1067720425.db2.gz KXKAVPVYEBAELQ-UHFFFAOYSA-N 0 0 456.568 0.280 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000603995015 1067720372 /nfs/dbraw/zinc/72/03/72/1067720372.db2.gz PBGQTBPJAPPBLO-UHFFFAOYSA-N 0 0 467.547 0.923 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCC(=O)OC ZINC000603995139 1067720759 /nfs/dbraw/zinc/72/07/59/1067720759.db2.gz WUYXYDVTQYYQTK-UHFFFAOYSA-N 0 0 471.535 0.064 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000603995147 1067720429 /nfs/dbraw/zinc/72/04/29/1067720429.db2.gz YJJRCMIASXFIKX-UHFFFAOYSA-N 0 0 453.520 0.580 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C3CC3)c2=O)c1 ZINC000603996352 1067720767 /nfs/dbraw/zinc/72/07/67/1067720767.db2.gz AQAUPFZOMRWPDP-HNNXBMFYSA-N 0 0 457.552 0.924 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C3CC3)c2=O)c1 ZINC000603996353 1067720876 /nfs/dbraw/zinc/72/08/76/1067720876.db2.gz AQAUPFZOMRWPDP-OAHLLOKOSA-N 0 0 457.552 0.924 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 ZINC000603996365 1067720746 /nfs/dbraw/zinc/72/07/46/1067720746.db2.gz BMUNNIHFMJRYLP-UHFFFAOYSA-N 0 0 466.563 0.131 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCCO4)c(=O)n2C2CC2)CC1 ZINC000603996910 1067720724 /nfs/dbraw/zinc/72/07/24/1067720724.db2.gz LJGZIIYGYUJJDZ-UHFFFAOYSA-N 0 0 466.563 0.683 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 ZINC000603997142 1067720866 /nfs/dbraw/zinc/72/08/66/1067720866.db2.gz XGLOHVJCZBHKEQ-UHFFFAOYSA-N 0 0 482.606 0.985 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCO4)c(=O)n2C2CC2)CC1 ZINC000603997156 1067720804 /nfs/dbraw/zinc/72/08/04/1067720804.db2.gz YYCOIOVNGDLAEC-UHFFFAOYSA-N 0 0 450.564 0.847 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603997268 1067720799 /nfs/dbraw/zinc/72/07/99/1067720799.db2.gz AWXMWPHGLFAUKU-UHFFFAOYSA-N 0 0 473.576 0.753 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCCSC ZINC000603997373 1067720741 /nfs/dbraw/zinc/72/07/41/1067720741.db2.gz HBBCRWXGHHBRKM-UHFFFAOYSA-N 0 0 461.565 0.657 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000603997743 1067720791 /nfs/dbraw/zinc/72/07/91/1067720791.db2.gz PMNQPGKGMXQIOV-UHFFFAOYSA-N 0 0 493.541 0.944 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCSC ZINC000603997909 1067720686 /nfs/dbraw/zinc/72/06/86/1067720686.db2.gz AHNJGXYMFDMZCJ-UHFFFAOYSA-N 0 0 459.593 0.863 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCCOC)c3)c(=O)n2C2CC2)CC1 ZINC000603997967 1067720826 /nfs/dbraw/zinc/72/08/26/1067720826.db2.gz CZSYAONWWDEJTR-UHFFFAOYSA-N 0 0 482.606 0.937 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCCSC ZINC000603998347 1067720840 /nfs/dbraw/zinc/72/08/40/1067720840.db2.gz KUTQVZCASCEWBL-UHFFFAOYSA-N 0 0 468.582 0.898 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc([N+](=O)[O-])c3)c(=O)n2C2CC2)CC1 ZINC000603998375 1067720698 /nfs/dbraw/zinc/72/06/98/1067720698.db2.gz MSHYOKQAPKFTIF-UHFFFAOYSA-N 0 0 459.553 0.882 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCO4)c(=O)n2C2CC2)CC1 ZINC000603998383 1067720852 /nfs/dbraw/zinc/72/08/52/1067720852.db2.gz NLYUBCSHCNTXES-UHFFFAOYSA-N 0 0 452.536 0.641 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCCSC ZINC000603998396 1067720871 /nfs/dbraw/zinc/72/08/71/1067720871.db2.gz OBMNXMJEFIHISN-UHFFFAOYSA-N 0 0 475.592 0.700 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000603998398 1067720848 /nfs/dbraw/zinc/72/08/48/1067720848.db2.gz OGJAKZPIVSXIHF-UHFFFAOYSA-N 0 0 471.604 0.960 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N ZINC000604000430 1067720713 /nfs/dbraw/zinc/72/07/13/1067720713.db2.gz YWSNTKHOQRIZFQ-UHFFFAOYSA-N 0 0 475.530 0.315 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C#N ZINC000604000770 1067720820 /nfs/dbraw/zinc/72/08/20/1067720820.db2.gz BAMKJGFTYKDVRT-UHFFFAOYSA-N 0 0 475.486 0.945 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N ZINC000604000797 1067720777 /nfs/dbraw/zinc/72/07/77/1067720777.db2.gz BYWVHFFCDUZMJA-UHFFFAOYSA-N 0 0 486.557 0.117 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccccc1C#N ZINC000604001310 1067721138 /nfs/dbraw/zinc/72/11/38/1067721138.db2.gz KVUUCVOSJKXYNG-UHFFFAOYSA-N 0 0 488.525 0.808 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccccc1C#N ZINC000604001472 1067721115 /nfs/dbraw/zinc/72/11/15/1067721115.db2.gz GMQVAQRVFAWGCO-UHFFFAOYSA-N 0 0 475.486 0.945 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3C#N)c2=O)o1 ZINC000604001797 1067721059 /nfs/dbraw/zinc/72/10/59/1067721059.db2.gz SFQSQWBXPQCIDL-UHFFFAOYSA-N 0 0 489.557 0.624 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2-c2ccccc2C#N)CC1 ZINC000604001868 1067721200 /nfs/dbraw/zinc/72/12/00/1067721200.db2.gz WTBZNKUEBWILSR-UHFFFAOYSA-N 0 0 470.558 0.833 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccccc2C#N)CC1 ZINC000604001876 1067721066 /nfs/dbraw/zinc/72/10/66/1067721066.db2.gz WYJXHBFZUFQWJQ-UHFFFAOYSA-N 0 0 470.558 0.833 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1C#N ZINC000604001884 1067721215 /nfs/dbraw/zinc/72/12/15/1067721215.db2.gz XLLWBQTUXVIPFV-UHFFFAOYSA-N 0 0 475.486 0.945 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1ccccc1C#N ZINC000604001940 1067721153 /nfs/dbraw/zinc/72/11/53/1067721153.db2.gz YEBGWPCEWOGTEA-UHFFFAOYSA-N 0 0 487.541 0.995 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N ZINC000604002635 1067721147 /nfs/dbraw/zinc/72/11/47/1067721147.db2.gz CVPZXBXUVAAEJP-UHFFFAOYSA-N 0 0 476.562 0.939 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccccc2C#N)CC1 ZINC000604002637 1067721104 /nfs/dbraw/zinc/72/11/04/1067721104.db2.gz DEIZZZGGHGNYGQ-UHFFFAOYSA-N 0 0 473.562 0.171 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccccc1C#N ZINC000604002651 1067721123 /nfs/dbraw/zinc/72/11/23/1067721123.db2.gz DYAYRZRCGCEIHH-UHFFFAOYSA-N 0 0 471.477 0.740 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccccc1C#N ZINC000604002678 1067721131 /nfs/dbraw/zinc/72/11/31/1067721131.db2.gz HTHIJRPBPMSNQR-UHFFFAOYSA-N 0 0 451.533 0.801 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C#N)c2=O)cs1 ZINC000604002688 1067721080 /nfs/dbraw/zinc/72/10/80/1067721080.db2.gz IWLPNFHBQITOFS-UHFFFAOYSA-N 0 0 463.544 0.897 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(-c2ccccc2C#N)c1=O ZINC000604002691 1067721167 /nfs/dbraw/zinc/72/11/67/1067721167.db2.gz JFCYFHCWZCPMSQ-UHFFFAOYSA-N 0 0 456.487 0.917 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1C#N ZINC000604002714 1067721043 /nfs/dbraw/zinc/72/10/43/1067721043.db2.gz VTMXCCUCWXYNDU-UHFFFAOYSA-N 0 0 488.525 0.823 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1C#N ZINC000604003054 1067721159 /nfs/dbraw/zinc/72/11/59/1067721159.db2.gz ZOSOIWQUOWXXPF-UHFFFAOYSA-N 0 0 474.498 0.765 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2[C@H](C)c2ccccc2)CC1 ZINC000604004327 1067721174 /nfs/dbraw/zinc/72/11/74/1067721174.db2.gz KKYHPXCOOWSPSY-GOSISDBHSA-N 0 0 476.606 0.920 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2[C@@H](C)c2ccccc2)CC1 ZINC000604004328 1067721092 /nfs/dbraw/zinc/72/10/92/1067721092.db2.gz KKYHPXCOOWSPSY-SFHVURJKSA-N 0 0 476.606 0.920 20 30 JCEDRN C[C@H](c1ccccc1)n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000604004929 1067721194 /nfs/dbraw/zinc/72/11/94/1067721194.db2.gz SWORDVCYHDJKKP-GOSISDBHSA-N 0 0 492.605 0.204 20 30 JCEDRN C[C@@H](c1ccccc1)n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000604004930 1067721185 /nfs/dbraw/zinc/72/11/85/1067721185.db2.gz SWORDVCYHDJKKP-SFHVURJKSA-N 0 0 492.605 0.204 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1ccccc1 ZINC000604005347 1067721532 /nfs/dbraw/zinc/72/15/32/1067721532.db2.gz YFVIJFRGYFMYDK-INIZCTEOSA-N 0 0 451.552 0.908 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1ccccc1 ZINC000604005348 1067721548 /nfs/dbraw/zinc/72/15/48/1067721548.db2.gz YFVIJFRGYFMYDK-MRXNPFEDSA-N 0 0 451.552 0.908 20 30 JCEDRN C[C@@H](c1ccccc1)n1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000604005523 1067721574 /nfs/dbraw/zinc/72/15/74/1067721574.db2.gz XZCTYYMRHKJDDV-IBGZPJMESA-N 0 0 489.601 0.866 20 30 JCEDRN C[C@H](c1ccccc1)n1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000604005524 1067721209 /nfs/dbraw/zinc/72/12/09/1067721209.db2.gz XZCTYYMRHKJDDV-LJQANCHMSA-N 0 0 489.601 0.866 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccccc1C#N ZINC000604006280 1067721512 /nfs/dbraw/zinc/72/15/12/1067721512.db2.gz BZQCCKPKRDRBOS-UHFFFAOYSA-N 0 0 472.526 0.971 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccccc1C#N ZINC000604006473 1067721503 /nfs/dbraw/zinc/72/15/03/1067721503.db2.gz HQPYRUOSHCRJNU-UHFFFAOYSA-N 0 0 488.525 0.808 20 30 JCEDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604017901 1067722200 /nfs/dbraw/zinc/72/22/00/1067722200.db2.gz NBAFVBUPJYAKQD-GFCCVEGCSA-N 0 0 453.464 0.891 20 30 JCEDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604017903 1067722317 /nfs/dbraw/zinc/72/23/17/1067722317.db2.gz NBAFVBUPJYAKQD-LBPRGKRZSA-N 0 0 453.464 0.891 20 30 JCEDRN COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000604022494 1067722918 /nfs/dbraw/zinc/72/29/18/1067722918.db2.gz DLNMKHIEKSNYKK-UHFFFAOYSA-N 0 0 492.579 0.898 20 30 JCEDRN COC(=O)COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000604022712 1067722596 /nfs/dbraw/zinc/72/25/96/1067722596.db2.gz UHNOKZSBVHECBR-UHFFFAOYSA-N 0 0 479.536 0.805 20 30 JCEDRN CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000604022740 1067722589 /nfs/dbraw/zinc/72/25/89/1067722589.db2.gz XRTGWOHGASJWIN-UHFFFAOYSA-N 0 0 476.580 0.932 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000604023513 1067722882 /nfs/dbraw/zinc/72/28/82/1067722882.db2.gz YFJNUGDRMDYJKM-NRFANRHFSA-N 0 0 470.511 0.527 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000604023514 1067722949 /nfs/dbraw/zinc/72/29/49/1067722949.db2.gz YFJNUGDRMDYJKM-OAQYLSRUSA-N 0 0 470.511 0.527 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000604024196 1067723000 /nfs/dbraw/zinc/72/30/00/1067723000.db2.gz QCRUFZOMYURSGZ-NRFANRHFSA-N 0 0 470.511 0.527 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000604024197 1067722961 /nfs/dbraw/zinc/72/29/61/1067722961.db2.gz QCRUFZOMYURSGZ-OAQYLSRUSA-N 0 0 470.511 0.527 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000604028856 1067724213 /nfs/dbraw/zinc/72/42/13/1067724213.db2.gz WBKSVBSVSDOVFF-UHFFFAOYSA-N 0 0 481.522 0.376 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C(F)(F)F)c1 ZINC000604031778 1067724251 /nfs/dbraw/zinc/72/42/51/1067724251.db2.gz LSSOSDATPMUISQ-UHFFFAOYSA-N 0 0 492.457 0.964 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1Cl ZINC000604032270 1067724369 /nfs/dbraw/zinc/72/43/69/1067724369.db2.gz WUQMTFFZIQSYPW-UHFFFAOYSA-N 0 0 458.905 0.599 20 30 JCEDRN C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000604043155 1067723975 /nfs/dbraw/zinc/72/39/75/1067723975.db2.gz SEJAEYYSFMQHTD-HNNXBMFYSA-N 0 0 464.587 0.071 20 30 JCEDRN C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000604043156 1067723997 /nfs/dbraw/zinc/72/39/97/1067723997.db2.gz SEJAEYYSFMQHTD-OAHLLOKOSA-N 0 0 464.587 0.071 20 30 JCEDRN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000604043511 1067723912 /nfs/dbraw/zinc/72/39/12/1067723912.db2.gz ZJCWSOQMFFIASW-AWEZNQCLSA-N 0 0 468.582 0.820 20 30 JCEDRN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000604043512 1067723888 /nfs/dbraw/zinc/72/38/88/1067723888.db2.gz ZJCWSOQMFFIASW-CQSZACIVSA-N 0 0 468.582 0.820 20 30 JCEDRN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000604046690 1067724654 /nfs/dbraw/zinc/72/46/54/1067724654.db2.gz KVNKHJYWKCWBLR-AWEZNQCLSA-N 0 0 468.582 0.820 20 30 JCEDRN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000604046691 1067724754 /nfs/dbraw/zinc/72/47/54/1067724754.db2.gz KVNKHJYWKCWBLR-CQSZACIVSA-N 0 0 468.582 0.820 20 30 JCEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000604068879 1067724612 /nfs/dbraw/zinc/72/46/12/1067724612.db2.gz WXKILWXNYCHXRC-NRFANRHFSA-N 0 0 467.551 0.830 20 30 JCEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000604068880 1067724716 /nfs/dbraw/zinc/72/47/16/1067724716.db2.gz WXKILWXNYCHXRC-OAQYLSRUSA-N 0 0 467.551 0.830 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000604102745 1067725527 /nfs/dbraw/zinc/72/55/27/1067725527.db2.gz QIUBCDZWKLOGGB-UHFFFAOYSA-N 0 0 483.598 0.687 20 30 JCEDRN CCN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(C)(=O)=O ZINC000604103066 1067725554 /nfs/dbraw/zinc/72/55/54/1067725554.db2.gz JMZFRVPZJSZZDE-UHFFFAOYSA-N 0 0 457.578 0.246 20 30 JCEDRN CCN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O ZINC000604103891 1067725413 /nfs/dbraw/zinc/72/54/13/1067725413.db2.gz ZQIUJGCBBKGNEA-UHFFFAOYSA-N 0 0 457.578 0.246 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604118283 1067726097 /nfs/dbraw/zinc/72/60/97/1067726097.db2.gz AEGIQLLYEBYONR-UHFFFAOYSA-N 0 0 477.633 0.848 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C)c1 ZINC000604118309 1067726120 /nfs/dbraw/zinc/72/61/20/1067726120.db2.gz CKGFMVQKCPIUSE-UHFFFAOYSA-N 0 0 453.545 0.860 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 ZINC000604118311 1067726193 /nfs/dbraw/zinc/72/61/93/1067726193.db2.gz CNWHZSZABAKBIP-INIZCTEOSA-N 0 0 497.598 0.957 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 ZINC000604118312 1067726137 /nfs/dbraw/zinc/72/61/37/1067726137.db2.gz CNWHZSZABAKBIP-MRXNPFEDSA-N 0 0 497.598 0.957 20 30 JCEDRN CCCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCCOC ZINC000604118315 1067726106 /nfs/dbraw/zinc/72/61/06/1067726106.db2.gz COZKRKYLMVZZJU-UHFFFAOYSA-N 0 0 477.608 0.769 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(F)cc1F ZINC000604118320 1067726145 /nfs/dbraw/zinc/72/61/45/1067726145.db2.gz DDHFEKUGZORUGN-UHFFFAOYSA-N 0 0 475.498 0.830 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccccc1 ZINC000604118351 1067726115 /nfs/dbraw/zinc/72/61/15/1067726115.db2.gz GWWKPLBVPRJRQB-UHFFFAOYSA-N 0 0 453.545 0.611 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCC(=O)OC ZINC000604118359 1067726201 /nfs/dbraw/zinc/72/62/01/1067726201.db2.gz HIPRYEABONBUCV-UHFFFAOYSA-N 0 0 491.591 0.296 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC(C)C ZINC000604118378 1067726231 /nfs/dbraw/zinc/72/62/31/1067726231.db2.gz IZFYTQCFYZLFQS-UHFFFAOYSA-N 0 0 491.591 0.294 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C)c1 ZINC000604118540 1067725781 /nfs/dbraw/zinc/72/57/81/1067725781.db2.gz JSYVJTBJPFWHJW-UHFFFAOYSA-N 0 0 497.598 0.877 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000604118541 1067726250 /nfs/dbraw/zinc/72/62/50/1067726250.db2.gz KDVZDBKOOZMLPM-UHFFFAOYSA-N 0 0 497.554 0.763 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCSC ZINC000604118548 1067725915 /nfs/dbraw/zinc/72/59/15/1067725915.db2.gz LAHLGYSKEJYMSQ-UHFFFAOYSA-N 0 0 477.633 0.872 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604118565 1067725805 /nfs/dbraw/zinc/72/58/05/1067725805.db2.gz MHOKUVRGNBMVPE-UHFFFAOYSA-N 0 0 489.575 0.048 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 ZINC000604118571 1067725928 /nfs/dbraw/zinc/72/59/28/1067725928.db2.gz MVMLBGRJRZPKGL-UHFFFAOYSA-N 0 0 483.571 0.568 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1C ZINC000604118575 1067725823 /nfs/dbraw/zinc/72/58/23/1067725823.db2.gz NKUCVQWJKFRTGG-UHFFFAOYSA-N 0 0 453.545 0.860 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCSC ZINC000604118585 1067725856 /nfs/dbraw/zinc/72/58/56/1067725856.db2.gz NXOIGHIJLPQRPD-UHFFFAOYSA-N 0 0 451.595 0.315 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 ZINC000604118600 1067725831 /nfs/dbraw/zinc/72/58/31/1067725831.db2.gz PJMYSESRNHVIJR-UHFFFAOYSA-N 0 0 461.565 0.304 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 ZINC000604118835 1067725789 /nfs/dbraw/zinc/72/57/89/1067725789.db2.gz SFBZUHUZVZPCSF-UHFFFAOYSA-N 0 0 497.598 0.958 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccccc1 ZINC000604118843 1067725870 /nfs/dbraw/zinc/72/58/70/1067725870.db2.gz TWCNPTDZJLIGAA-UHFFFAOYSA-N 0 0 497.598 0.627 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000604118844 1067725906 /nfs/dbraw/zinc/72/59/06/1067725906.db2.gz TXMNIPPEDWVGOR-UHFFFAOYSA-N 0 0 497.554 0.323 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1C ZINC000604118845 1067725879 /nfs/dbraw/zinc/72/58/79/1067725879.db2.gz UBRSDTFSKIUXKJ-UHFFFAOYSA-N 0 0 497.598 0.877 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccc(S(C)(=O)=O)cc3)sc2=C(C#N)C(=O)NC)cc1 ZINC000604118920 1067725896 /nfs/dbraw/zinc/72/58/96/1067725896.db2.gz XAZAIOBIVXIWCL-UHFFFAOYSA-N 0 0 483.571 0.950 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCC(=O)OC ZINC000604118923 1067725798 /nfs/dbraw/zinc/72/57/98/1067725798.db2.gz XHJFMIGRNMBPPI-UHFFFAOYSA-N 0 0 489.575 0.072 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(C)cc1 ZINC000604118980 1067725922 /nfs/dbraw/zinc/72/59/22/1067725922.db2.gz XYFLFWDRQWKDRD-UHFFFAOYSA-N 0 0 497.598 0.877 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC ZINC000604118982 1067725814 /nfs/dbraw/zinc/72/58/14/1067725814.db2.gz XZZHNEBDPCMJSB-UHFFFAOYSA-N 0 0 463.581 0.379 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCSC ZINC000604118988 1067725862 /nfs/dbraw/zinc/72/58/62/1067725862.db2.gz YQMVZMJQKHMWKZ-UHFFFAOYSA-N 0 0 495.648 0.332 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604119003 1067725939 /nfs/dbraw/zinc/72/59/39/1067725939.db2.gz BKQOUXFEXVCLJN-UHFFFAOYSA-N 0 0 475.592 0.331 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000604119008 1067725767 /nfs/dbraw/zinc/72/57/67/1067725767.db2.gz CAQSMCHWMJGZRW-AWEZNQCLSA-N 0 0 463.581 0.377 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000604119011 1067725839 /nfs/dbraw/zinc/72/58/39/1067725839.db2.gz YQPUFNNGHLXZAL-UHFFFAOYSA-N 0 0 474.608 0.000 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000604119030 1067725888 /nfs/dbraw/zinc/72/58/88/1067725888.db2.gz CAQSMCHWMJGZRW-CQSZACIVSA-N 0 0 463.581 0.377 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(F)cc1 ZINC000604119055 1067725449 /nfs/dbraw/zinc/72/54/49/1067725449.db2.gz YWYDLGDZDNCFAS-UHFFFAOYSA-N 0 0 457.508 0.691 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCOCC ZINC000604119086 1067725561 /nfs/dbraw/zinc/72/55/61/1067725561.db2.gz DLIDSGYQJYUPFY-UHFFFAOYSA-N 0 0 475.592 0.545 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCCOC ZINC000604119287 1067726487 /nfs/dbraw/zinc/72/64/87/1067726487.db2.gz JPCVMWFGDHSICE-UHFFFAOYSA-N 0 0 461.565 0.155 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000604119584 1067726494 /nfs/dbraw/zinc/72/64/94/1067726494.db2.gz LFLOVVRHUPILFO-UHFFFAOYSA-N 0 0 469.544 0.912 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000604119717 1067726556 /nfs/dbraw/zinc/72/65/56/1067726556.db2.gz MFVSSIXXPWDRHJ-INIZCTEOSA-N 0 0 473.576 0.274 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 ZINC000604119727 1067726490 /nfs/dbraw/zinc/72/64/90/1067726490.db2.gz KSAULVJWWCAAOO-CYBMUJFWSA-N 0 0 461.565 0.302 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 ZINC000604119729 1067726447 /nfs/dbraw/zinc/72/64/47/1067726447.db2.gz KSAULVJWWCAAOO-ZDUSSCGKSA-N 0 0 461.565 0.302 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000604119742 1067726472 /nfs/dbraw/zinc/72/64/72/1067726472.db2.gz MFVSSIXXPWDRHJ-MRXNPFEDSA-N 0 0 473.576 0.274 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000604119750 1067726523 /nfs/dbraw/zinc/72/65/23/1067726523.db2.gz MQZMUZRJCDEMEU-KRWDZBQOSA-N 0 0 489.619 0.768 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000604119754 1067726497 /nfs/dbraw/zinc/72/64/97/1067726497.db2.gz MQZMUZRJCDEMEU-QGZVFWFLSA-N 0 0 489.619 0.768 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000604119825 1067726480 /nfs/dbraw/zinc/72/64/80/1067726480.db2.gz OBEDUEWYAPAOCR-KRWDZBQOSA-N 0 0 489.619 0.912 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000604119827 1067726515 /nfs/dbraw/zinc/72/65/15/1067726515.db2.gz OBEDUEWYAPAOCR-QGZVFWFLSA-N 0 0 489.619 0.912 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604119832 1067726543 /nfs/dbraw/zinc/72/65/43/1067726543.db2.gz OFOUOMFAFGDMCJ-UHFFFAOYSA-N 0 0 475.592 0.522 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000604119835 1067726129 /nfs/dbraw/zinc/72/61/29/1067726129.db2.gz OJIUWNNQXOVHAD-INIZCTEOSA-N 0 0 473.576 0.298 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000604119836 1067726208 /nfs/dbraw/zinc/72/62/08/1067726208.db2.gz OJIUWNNQXOVHAD-MRXNPFEDSA-N 0 0 473.576 0.298 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000604119922 1067726169 /nfs/dbraw/zinc/72/61/69/1067726169.db2.gz SAFIRXZEWSGFTH-UHFFFAOYSA-N 0 0 486.619 0.166 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604119982 1067726244 /nfs/dbraw/zinc/72/62/44/1067726244.db2.gz VAROYBMUKLYCRB-UHFFFAOYSA-N 0 0 489.619 0.865 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000604119993 1068058431 /nfs/dbraw/zinc/05/84/31/1068058431.db2.gz VTJHADIFSFCOIK-AWEZNQCLSA-N 0 0 461.565 0.153 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000604119997 1067726162 /nfs/dbraw/zinc/72/61/62/1067726162.db2.gz VTJHADIFSFCOIK-CQSZACIVSA-N 0 0 461.565 0.153 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000604120044 1067726182 /nfs/dbraw/zinc/72/61/82/1067726182.db2.gz XEYDNQJSQHVFTG-UHFFFAOYSA-N 0 0 488.635 0.390 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC(C)C ZINC000604120059 1067726221 /nfs/dbraw/zinc/72/62/21/1067726221.db2.gz XLENTQRKJZUDMD-UHFFFAOYSA-N 0 0 477.608 0.768 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCCOC ZINC000604120062 1067726238 /nfs/dbraw/zinc/72/62/38/1067726238.db2.gz XPENAAFHICXHJM-UHFFFAOYSA-N 0 0 463.581 0.379 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(S(C)(=O)=O)cc3)c(=O)n2C2CC2)CC1 ZINC000604120539 1067726452 /nfs/dbraw/zinc/72/64/52/1067726452.db2.gz TWVFLEOVBALMQJ-UHFFFAOYSA-N 0 0 486.619 0.315 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1 ZINC000604120545 1067726547 /nfs/dbraw/zinc/72/65/47/1067726547.db2.gz UTKFPSBWIIGOCY-UHFFFAOYSA-N 0 0 459.549 0.010 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cc1 ZINC000604120596 1067726502 /nfs/dbraw/zinc/72/65/02/1067726502.db2.gz WSABVJPIEBVJSQ-UHFFFAOYSA-N 0 0 490.566 0.956 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000604120662 1067726530 /nfs/dbraw/zinc/72/65/30/1067726530.db2.gz XUMGRFQTDKKLSY-UHFFFAOYSA-N 0 0 496.570 0.510 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 ZINC000604120668 1067726476 /nfs/dbraw/zinc/72/64/76/1067726476.db2.gz YTBRDXXIQHHWJW-UHFFFAOYSA-N 0 0 475.592 0.694 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(c3nnc4n3CCC4)CC2)CC1 ZINC000604124846 1067726930 /nfs/dbraw/zinc/72/69/30/1067726930.db2.gz NAUKSQKUTPVAMT-UHFFFAOYSA-N 0 0 483.598 0.808 20 30 JCEDRN N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000604131684 1067727204 /nfs/dbraw/zinc/72/72/04/1067727204.db2.gz VUBMVMLZZLPCBG-UHFFFAOYSA-N 0 0 485.570 0.676 20 30 JCEDRN C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)C[C@H](C)O1 ZINC000604131811 1067727210 /nfs/dbraw/zinc/72/72/10/1067727210.db2.gz XGPJSYIRNGPNIE-KBPBESRZSA-N 0 0 453.503 0.800 20 30 JCEDRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)C[C@H](C)O1 ZINC000604131812 1069597791 /nfs/dbraw/zinc/59/77/91/1069597791.db2.gz XGPJSYIRNGPNIE-OKILXGFUSA-N 0 0 453.503 0.800 20 30 JCEDRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)C[C@@H](C)O1 ZINC000604131813 1069597722 /nfs/dbraw/zinc/59/77/22/1069597722.db2.gz XGPJSYIRNGPNIE-ZIAGYGMSSA-N 0 0 453.503 0.800 20 30 JCEDRN Cn1c2ncc(NC(=O)C(=O)NCCSCc3ccccc3C#N)cc2c(=O)n(C)c1=O ZINC000604135282 1067727652 /nfs/dbraw/zinc/72/76/52/1067727652.db2.gz MMNZTNHLDIPBCJ-UHFFFAOYSA-N 0 0 452.496 0.492 20 30 JCEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2O1 ZINC000604141498 1067728379 /nfs/dbraw/zinc/72/83/79/1067728379.db2.gz HGGVTQSCDVUAOS-NRFANRHFSA-N 0 0 487.520 0.915 20 30 JCEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2O1 ZINC000604141499 1067728361 /nfs/dbraw/zinc/72/83/61/1067728361.db2.gz HGGVTQSCDVUAOS-OAQYLSRUSA-N 0 0 487.520 0.915 20 30 JCEDRN N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000604145629 1067730450 /nfs/dbraw/zinc/73/04/50/1067730450.db2.gz PJEYBWDZODTZRC-UHFFFAOYSA-N 0 0 462.466 0.633 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1OCC(F)(F)F ZINC000604145682 1067730470 /nfs/dbraw/zinc/73/04/70/1067730470.db2.gz RUXLUKZKJWBDEM-UHFFFAOYSA-N 0 0 467.404 0.387 20 30 JCEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cn2)c1 ZINC000604146017 1067730080 /nfs/dbraw/zinc/73/00/80/1067730080.db2.gz LDBZJESRWZBXCL-UHFFFAOYSA-N 0 0 476.493 0.977 20 30 JCEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000604146021 1067730024 /nfs/dbraw/zinc/73/00/24/1067730024.db2.gz LYOGTBANOPQQHK-UHFFFAOYSA-N 0 0 481.431 0.731 20 30 JCEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cn2)cc1 ZINC000604146104 1067729986 /nfs/dbraw/zinc/72/99/86/1067729986.db2.gz WRDQUHBSQKOMFJ-UHFFFAOYSA-N 0 0 462.466 0.633 20 30 JCEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cn2)c1 ZINC000604146150 1067730460 /nfs/dbraw/zinc/73/04/60/1067730460.db2.gz ZVEMMNGICNDZPD-UHFFFAOYSA-N 0 0 462.466 0.633 20 30 JCEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cn2)cc1 ZINC000604146386 1067730409 /nfs/dbraw/zinc/73/04/09/1067730409.db2.gz SBRWFCHGPOMNJC-UHFFFAOYSA-N 0 0 476.493 0.977 20 30 JCEDRN N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000604146403 1067730271 /nfs/dbraw/zinc/73/02/71/1067730271.db2.gz UNZWLNJMLYFWBQ-UHFFFAOYSA-N 0 0 476.493 0.977 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1OCC(N)=O ZINC000604147852 1067730398 /nfs/dbraw/zinc/73/03/98/1067730398.db2.gz FFTDZVXGEHVDJK-UHFFFAOYSA-N 0 0 451.483 0.714 20 30 JCEDRN N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000604147862 1067730635 /nfs/dbraw/zinc/73/06/35/1067730635.db2.gz FZTSAPICLFTFRS-UHFFFAOYSA-N 0 0 497.577 0.862 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000604148003 1067730348 /nfs/dbraw/zinc/73/03/48/1067730348.db2.gz IWCJUBVTKGQQPQ-UHFFFAOYSA-N 0 0 477.521 0.673 20 30 JCEDRN N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 ZINC000604148591 1067730682 /nfs/dbraw/zinc/73/06/82/1067730682.db2.gz YVPNOCIZRABLFA-UHFFFAOYSA-N 0 0 497.577 0.862 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000604159423 1067728940 /nfs/dbraw/zinc/72/89/40/1067728940.db2.gz QLHFJASPVSBWMH-UHFFFAOYSA-N 0 0 473.467 0.947 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000604159757 1067728993 /nfs/dbraw/zinc/72/89/93/1067728993.db2.gz TZCAYJCJJDEUTM-UHFFFAOYSA-N 0 0 473.467 0.947 20 30 JCEDRN CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000604162673 1067729731 /nfs/dbraw/zinc/72/97/31/1067729731.db2.gz HPXCXVAOXULQFL-UHFFFAOYSA-N 0 0 469.523 0.318 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3-n3cncn3)CC2)cc1 ZINC000604162697 1067729679 /nfs/dbraw/zinc/72/96/79/1067729679.db2.gz PCFWOQLGWKMYJU-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)cc1 ZINC000604162700 1067729741 /nfs/dbraw/zinc/72/97/41/1067729741.db2.gz PTFATTBMDNDOBT-UHFFFAOYSA-N 0 0 459.459 0.268 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000604162714 1067729447 /nfs/dbraw/zinc/72/94/47/1067729447.db2.gz UKAHONWFGWWUDE-UHFFFAOYSA-N 0 0 469.479 0.361 20 30 JCEDRN Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc12 ZINC000604162715 1067729468 /nfs/dbraw/zinc/72/94/68/1067729468.db2.gz VKBGOVPTMBCNTB-UHFFFAOYSA-N 0 0 467.511 0.620 20 30 JCEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cn2)cc1 ZINC000604163845 1067729725 /nfs/dbraw/zinc/72/97/25/1067729725.db2.gz JWDZQGJPEYSJRW-UHFFFAOYSA-N 0 0 492.492 0.214 20 30 JCEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cn2)c1 ZINC000604164371 1067734003 /nfs/dbraw/zinc/73/40/03/1067734003.db2.gz OOKBXQMZOOXUFY-UHFFFAOYSA-N 0 0 492.492 0.214 20 30 JCEDRN N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000604164701 1067733698 /nfs/dbraw/zinc/73/36/98/1067733698.db2.gz UGILPRAKTSVEJS-UHFFFAOYSA-N 0 0 492.492 0.214 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000604164732 1067733692 /nfs/dbraw/zinc/73/36/92/1067733692.db2.gz VJPJGAUNDQHMTP-UHFFFAOYSA-N 0 0 464.482 0.879 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000604164756 1067733708 /nfs/dbraw/zinc/73/37/08/1067733708.db2.gz WDZZMOZJOMDBJS-UHFFFAOYSA-N 0 0 464.482 0.879 20 30 JCEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)c2)c1 ZINC000604165013 1068059379 /nfs/dbraw/zinc/05/93/79/1068059379.db2.gz VHNNJIHPDXTBFV-UHFFFAOYSA-N 0 0 469.519 0.915 20 30 JCEDRN Cn1c2ncc(NC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2c(=O)n(C)c1=O ZINC000604167464 1067734480 /nfs/dbraw/zinc/73/44/80/1067734480.db2.gz BZGMXHPZVICYKV-UHFFFAOYSA-N 0 0 475.509 0.177 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000604167483 1067734507 /nfs/dbraw/zinc/73/45/07/1067734507.db2.gz CZSZNPMFPNOQTJ-UHFFFAOYSA-N 0 0 484.538 0.690 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000604167532 1067734351 /nfs/dbraw/zinc/73/43/51/1067734351.db2.gz GIIDPASBNAODCZ-UHFFFAOYSA-N 0 0 484.538 0.261 20 30 JCEDRN N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc1 ZINC000604167609 1067734317 /nfs/dbraw/zinc/73/43/17/1067734317.db2.gz PYAIBZRYBYBLKJ-UHFFFAOYSA-N 0 0 462.510 0.446 20 30 JCEDRN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000604167626 1067734366 /nfs/dbraw/zinc/73/43/66/1067734366.db2.gz ITCNCZXKYHVCSM-UHFFFAOYSA-N 0 0 464.482 0.533 20 30 JCEDRN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000604167649 1067734517 /nfs/dbraw/zinc/73/45/17/1067734517.db2.gz KOAPPMXCTLPUFL-UHFFFAOYSA-N 0 0 461.526 0.628 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000604167764 1067734444 /nfs/dbraw/zinc/73/44/44/1067734444.db2.gz QLCGULYTWFCJDR-UHFFFAOYSA-N 0 0 498.565 0.570 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000604167914 1067734104 /nfs/dbraw/zinc/73/41/04/1067734104.db2.gz WWGJPAGSGFTNJK-UHFFFAOYSA-N 0 0 454.512 0.780 20 30 JCEDRN CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2O1 ZINC000604168581 1067734743 /nfs/dbraw/zinc/73/47/43/1067734743.db2.gz DVRGBWUHHJMDDY-FQEVSTJZSA-N 0 0 462.510 0.922 20 30 JCEDRN CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2O1 ZINC000604168583 1067734809 /nfs/dbraw/zinc/73/48/09/1067734809.db2.gz DVRGBWUHHJMDDY-HXUWFJFHSA-N 0 0 462.510 0.922 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000604168866 1067734405 /nfs/dbraw/zinc/73/44/05/1067734405.db2.gz KRBHLTVOHCZBST-UHFFFAOYSA-N 0 0 454.512 0.681 20 30 JCEDRN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000604168904 1067734357 /nfs/dbraw/zinc/73/43/57/1067734357.db2.gz LXWXVJSOSURJRE-INIZCTEOSA-N 0 0 486.554 0.554 20 30 JCEDRN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000604168910 1067734535 /nfs/dbraw/zinc/73/45/35/1067734535.db2.gz LXWXVJSOSURJRE-MRXNPFEDSA-N 0 0 486.554 0.554 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000604168983 1067734341 /nfs/dbraw/zinc/73/43/41/1067734341.db2.gz ODLREHCLBBIPTF-UHFFFAOYSA-N 0 0 472.502 0.920 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1OCC(=O)NC1CC1 ZINC000604169003 1067734421 /nfs/dbraw/zinc/73/44/21/1067734421.db2.gz PBOORFUZPDRQPT-UHFFFAOYSA-N 0 0 478.509 0.907 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000604169026 1067734389 /nfs/dbraw/zinc/73/43/89/1067734389.db2.gz PMCHGQLKNIXGBO-UHFFFAOYSA-N 0 0 454.512 0.780 20 30 JCEDRN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 ZINC000604169219 1067734793 /nfs/dbraw/zinc/73/47/93/1067734793.db2.gz UHMWZAXZDNDTBQ-UHFFFAOYSA-N 0 0 475.553 0.557 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000604169221 1067734765 /nfs/dbraw/zinc/73/47/65/1067734765.db2.gz UMOJYEULTDJANR-UHFFFAOYSA-N 0 0 464.482 0.072 20 30 JCEDRN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000604169254 1067734862 /nfs/dbraw/zinc/73/48/62/1067734862.db2.gz WLSXPWFRAUYVRB-UHFFFAOYSA-N 0 0 456.528 0.927 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000604169260 1067734757 /nfs/dbraw/zinc/73/47/57/1067734757.db2.gz WPZNANDUECZVCZ-UHFFFAOYSA-N 0 0 485.570 0.557 20 30 JCEDRN CCOc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N(C)C ZINC000604169278 1067734774 /nfs/dbraw/zinc/73/47/74/1067734774.db2.gz XOXYNZSUFAUGNG-UHFFFAOYSA-N 0 0 486.554 0.890 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000604181235 1067733328 /nfs/dbraw/zinc/73/33/28/1067733328.db2.gz AFYIAORKGCJLGZ-UHFFFAOYSA-N 0 0 494.508 0.842 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)nc1 ZINC000604195867 1067735244 /nfs/dbraw/zinc/73/52/44/1067735244.db2.gz XQHBZGSFAHWXIX-UHFFFAOYSA-N 0 0 454.512 0.036 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)nc1 ZINC000604195995 1067735294 /nfs/dbraw/zinc/73/52/94/1067735294.db2.gz YYQQCWQKZPTNKG-UHFFFAOYSA-N 0 0 454.512 0.036 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000604196034 1067735319 /nfs/dbraw/zinc/73/53/19/1067735319.db2.gz BVWQPXJZYGVODT-IBGZPJMESA-N 0 0 491.595 0.384 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000604196035 1067735229 /nfs/dbraw/zinc/73/52/29/1067735229.db2.gz BVWQPXJZYGVODT-LJQANCHMSA-N 0 0 491.595 0.384 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)nc1 ZINC000604196064 1067735283 /nfs/dbraw/zinc/73/52/83/1067735283.db2.gz FZTJOHKGNLVKLS-UHFFFAOYSA-N 0 0 496.593 0.915 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000604196526 1067735670 /nfs/dbraw/zinc/73/56/70/1067735670.db2.gz NDMANWGNOMSDDC-UHFFFAOYSA-N 0 0 471.539 0.945 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 ZINC000604196534 1067735667 /nfs/dbraw/zinc/73/56/67/1067735667.db2.gz NVLMOSFWNCZAHL-UHFFFAOYSA-N 0 0 482.566 0.768 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000604196555 1067735608 /nfs/dbraw/zinc/73/56/08/1067735608.db2.gz PPKYJSJRUIFBQK-UHFFFAOYSA-N 0 0 456.528 0.282 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 ZINC000604197356 1067735646 /nfs/dbraw/zinc/73/56/46/1067735646.db2.gz XCFNZNHODVKTRR-UHFFFAOYSA-N 0 0 457.512 0.742 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000604197359 1067735591 /nfs/dbraw/zinc/73/55/91/1067735591.db2.gz XNGBQJWKYRFVOQ-UHFFFAOYSA-N 0 0 458.544 0.494 20 30 JCEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cn2)c1 ZINC000604206323 1067736591 /nfs/dbraw/zinc/73/65/91/1067736591.db2.gz AIVUPEIABAPQGW-UHFFFAOYSA-N 0 0 478.509 0.687 20 30 JCEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cn2)cc1 ZINC000604206401 1067736653 /nfs/dbraw/zinc/73/66/53/1067736653.db2.gz KSWYUWQZUPHPCD-UHFFFAOYSA-N 0 0 478.509 0.687 20 30 JCEDRN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000604207288 1067736990 /nfs/dbraw/zinc/73/69/90/1067736990.db2.gz NFSKAMOOHTUVGF-UHFFFAOYSA-N 0 0 461.526 0.628 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000604207360 1067737063 /nfs/dbraw/zinc/73/70/63/1067737063.db2.gz HUUMVRJVBBAXIT-UHFFFAOYSA-N 0 0 458.500 0.635 20 30 JCEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)c1 ZINC000604207388 1067737123 /nfs/dbraw/zinc/73/71/23/1067737123.db2.gz LVONXACMEOPSLH-UHFFFAOYSA-N 0 0 498.561 0.762 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 ZINC000604208105 1067736741 /nfs/dbraw/zinc/73/67/41/1067736741.db2.gz WHAVAYBYRFAELA-UHFFFAOYSA-N 0 0 458.500 0.635 20 30 JCEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000604208135 1067736665 /nfs/dbraw/zinc/73/66/65/1067736665.db2.gz XJWYKMYGZCSWOL-UHFFFAOYSA-N 0 0 472.527 0.943 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000604208167 1067736599 /nfs/dbraw/zinc/73/65/99/1067736599.db2.gz YUZZJXPZXNPCSJ-UHFFFAOYSA-N 0 0 458.500 0.635 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000604218712 1067736320 /nfs/dbraw/zinc/73/63/20/1067736320.db2.gz GLBFJCFRBKXQJI-UHFFFAOYSA-N 0 0 494.508 0.543 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000604218734 1067736301 /nfs/dbraw/zinc/73/63/01/1067736301.db2.gz HTPSAOFSKOSCRL-UHFFFAOYSA-N 0 0 464.486 0.042 20 30 JCEDRN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1C ZINC000604218808 1067736252 /nfs/dbraw/zinc/73/62/52/1067736252.db2.gz LGVDCDMJHDEAID-UHFFFAOYSA-N 0 0 472.527 0.928 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000604218812 1067736356 /nfs/dbraw/zinc/73/63/56/1067736356.db2.gz LPPFIVJOVKUQTL-UHFFFAOYSA-N 0 0 452.471 0.965 20 30 JCEDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000604218941 1067736309 /nfs/dbraw/zinc/73/63/09/1067736309.db2.gz OGGPLVFXUSFODI-UHFFFAOYSA-N 0 0 480.481 0.614 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000604218994 1067736408 /nfs/dbraw/zinc/73/64/08/1067736408.db2.gz RKMBGRICXMWYPH-UHFFFAOYSA-N 0 0 472.527 0.961 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1OCC(N)=O ZINC000604219130 1067736292 /nfs/dbraw/zinc/73/62/92/1067736292.db2.gz UEZLDWDMBZOAGT-UHFFFAOYSA-N 0 0 468.470 0.584 20 30 JCEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccccc2O1 ZINC000604219173 1067736387 /nfs/dbraw/zinc/73/63/87/1067736387.db2.gz WSSXLVJZBIORJI-GOSISDBHSA-N 0 0 464.482 0.612 20 30 JCEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccccc2O1 ZINC000604219174 1067736267 /nfs/dbraw/zinc/73/62/67/1067736267.db2.gz WSSXLVJZBIORJI-SFHVURJKSA-N 0 0 464.482 0.612 20 30 JCEDRN N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000604219495 1067736646 /nfs/dbraw/zinc/73/66/46/1067736646.db2.gz CGUSCINVVBPAAJ-UHFFFAOYSA-N 0 0 451.462 0.316 20 30 JCEDRN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000604227074 1067737329 /nfs/dbraw/zinc/73/73/29/1067737329.db2.gz MDJLTQHUQSGVLI-UHFFFAOYSA-N 0 0 461.526 0.628 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)ccc1OC(F)F ZINC000604269073 1067737711 /nfs/dbraw/zinc/73/77/11/1067737711.db2.gz IYMKQAOAGXGVOQ-UHFFFAOYSA-N 0 0 494.520 0.636 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)NC1CC1 ZINC000604269075 1067737809 /nfs/dbraw/zinc/73/78/09/1067737809.db2.gz JZPJQVOHTUIYHC-UHFFFAOYSA-N 0 0 462.478 0.381 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C ZINC000604269092 1067737736 /nfs/dbraw/zinc/73/77/36/1067737736.db2.gz PTLIXGQUXNTILZ-UHFFFAOYSA-N 0 0 464.494 0.627 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C ZINC000604269097 1067737721 /nfs/dbraw/zinc/73/77/21/1067737721.db2.gz PWOJOSVKJKUBBI-UHFFFAOYSA-N 0 0 464.494 0.629 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C ZINC000604269106 1067737924 /nfs/dbraw/zinc/73/79/24/1067737924.db2.gz RFZROHPKPGIMCG-UHFFFAOYSA-N 0 0 478.521 0.875 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604269111 1067737859 /nfs/dbraw/zinc/73/78/59/1067737859.db2.gz SABWTDVCLOXICP-UHFFFAOYSA-N 0 0 480.949 0.446 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604269116 1067738229 /nfs/dbraw/zinc/73/82/29/1067738229.db2.gz SOOYWBWNLSHSPA-UHFFFAOYSA-N 0 0 476.505 0.725 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604269119 1067737730 /nfs/dbraw/zinc/73/77/30/1067737730.db2.gz SWEJAHZLFVQLHP-UHFFFAOYSA-N 0 0 450.923 0.820 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)ccc1OC(F)F ZINC000604269132 1067738300 /nfs/dbraw/zinc/73/83/00/1067738300.db2.gz UVDFRNXNZCARED-UHFFFAOYSA-N 0 0 492.504 0.390 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C ZINC000604269136 1067737751 /nfs/dbraw/zinc/73/77/51/1067737751.db2.gz VDEWLRMLXBCCCG-UHFFFAOYSA-N 0 0 494.520 0.255 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604269137 1067738191 /nfs/dbraw/zinc/73/81/91/1067738191.db2.gz WVFRJHCKPCOMLV-UHFFFAOYSA-N 0 0 450.923 0.818 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(=O)N(C)C ZINC000604269140 1067738173 /nfs/dbraw/zinc/73/81/73/1067738173.db2.gz YVRLKJMUZNFEHF-UHFFFAOYSA-N 0 0 456.568 0.352 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604269145 1067737906 /nfs/dbraw/zinc/73/79/06/1067737906.db2.gz ZSDJMIVPLXRRPP-UHFFFAOYSA-N 0 0 466.922 0.056 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604269751 1067740602 /nfs/dbraw/zinc/74/06/02/1067740602.db2.gz AHOFIDQQUGMJOM-UHFFFAOYSA-N 0 0 489.395 0.886 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3Cl)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604269754 1067738626 /nfs/dbraw/zinc/73/86/26/1067738626.db2.gz AKACOOLSGOHKGB-UHFFFAOYSA-N 0 0 488.013 0.319 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(=O)N(C)C ZINC000604269755 1067738619 /nfs/dbraw/zinc/73/86/19/1067738619.db2.gz AMOLXRGZHGGBMO-UHFFFAOYSA-N 0 0 496.511 0.673 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(=O)N(C)C ZINC000604269759 1067738543 /nfs/dbraw/zinc/73/85/43/1067738543.db2.gz ASYHTHCWSINTOA-UHFFFAOYSA-N 0 0 457.512 0.181 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604269763 1067738561 /nfs/dbraw/zinc/73/85/61/1067738561.db2.gz AUPUANPDWWEKGM-UHFFFAOYSA-N 0 0 478.521 0.875 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604269764 1067738570 /nfs/dbraw/zinc/73/85/70/1067738570.db2.gz AUWRJWZDMNCQLH-UHFFFAOYSA-N 0 0 455.496 0.032 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(=O)N(C)C ZINC000604269768 1067738654 /nfs/dbraw/zinc/73/86/54/1067738654.db2.gz AXURLEVOTXMKIR-UHFFFAOYSA-N 0 0 470.595 0.661 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604269787 1067738674 /nfs/dbraw/zinc/73/86/74/1067738674.db2.gz BSHWBWTXZWEUBN-UHFFFAOYSA-N 0 0 476.505 0.725 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269789 1067738602 /nfs/dbraw/zinc/73/86/02/1067738602.db2.gz BYQZYXUHJSPQGQ-UHFFFAOYSA-N 0 0 460.943 0.013 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000604269790 1067738611 /nfs/dbraw/zinc/73/86/11/1067738611.db2.gz CAUOBMYKDJYNKT-UHFFFAOYSA-N 0 0 491.529 0.306 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(=O)N(C)C ZINC000604269792 1067738661 /nfs/dbraw/zinc/73/86/61/1067738661.db2.gz CDWBRDRVLXZDDN-UHFFFAOYSA-N 0 0 474.608 0.376 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604269793 1067738646 /nfs/dbraw/zinc/73/86/46/1067738646.db2.gz CEKZPIPFVAAVHK-UHFFFAOYSA-N 0 0 464.494 0.629 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(=O)N(C)C ZINC000604269798 1067738578 /nfs/dbraw/zinc/73/85/78/1067738578.db2.gz CKPAVBCVFDIISR-UHFFFAOYSA-N 0 0 477.384 0.790 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269800 1067738638 /nfs/dbraw/zinc/73/86/38/1067738638.db2.gz CMKRGLBGQNOUQG-UHFFFAOYSA-N 0 0 478.933 0.152 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604269807 1068060612 /nfs/dbraw/zinc/06/06/12/1068060612.db2.gz CXXNQEQNDWJYHW-UHFFFAOYSA-N 0 0 460.531 0.183 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(=O)N(C)C ZINC000604269820 1067738595 /nfs/dbraw/zinc/73/85/95/1067738595.db2.gz DSHYWDGGIHTNSE-UHFFFAOYSA-N 0 0 462.597 0.414 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)NC1CC1 ZINC000604269821 1067738523 /nfs/dbraw/zinc/73/85/23/1067738523.db2.gz DSUULNVPJPLWRT-UHFFFAOYSA-N 0 0 475.368 0.542 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(=O)N(C)C ZINC000604269823 1067738551 /nfs/dbraw/zinc/73/85/51/1067738551.db2.gz DVAWRKIPRXREHN-UHFFFAOYSA-N 0 0 497.404 0.961 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(=O)N(C)C ZINC000604269826 1067738680 /nfs/dbraw/zinc/73/86/80/1067738680.db2.gz DZCTZMRBLNXXOP-UHFFFAOYSA-N 0 0 456.568 0.271 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2C(F)(F)F)sc1=C(C#N)C(=O)NC1CC1 ZINC000604269836 1067738308 /nfs/dbraw/zinc/73/83/08/1067738308.db2.gz FKKDTVVMRDMHMC-UHFFFAOYSA-N 0 0 464.469 0.798 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C ZINC000604269839 1067738266 /nfs/dbraw/zinc/73/82/66/1067738266.db2.gz FMWJOHLNBQHUSN-UHFFFAOYSA-N 0 0 463.563 0.821 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269842 1067738322 /nfs/dbraw/zinc/73/83/22/1067738322.db2.gz FOONODYQTAZKTF-UHFFFAOYSA-N 0 0 460.943 0.013 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604269846 1067738286 /nfs/dbraw/zinc/73/82/86/1067738286.db2.gz FSJRJRFWNWHPOR-UHFFFAOYSA-N 0 0 476.986 0.697 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)N(C)C ZINC000604269849 1067738201 /nfs/dbraw/zinc/73/82/01/1067738201.db2.gz FXVHMWNKITWWKV-UHFFFAOYSA-N 0 0 457.512 0.181 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C ZINC000604269852 1067738277 /nfs/dbraw/zinc/73/82/77/1067738277.db2.gz GGQLEGRKAHBQGC-UHFFFAOYSA-N 0 0 493.589 0.592 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(=O)N(C)C ZINC000604269856 1067738315 /nfs/dbraw/zinc/73/83/15/1067738315.db2.gz GLEYIFKJXTUUDO-UHFFFAOYSA-N 0 0 456.568 0.387 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(=O)N(C)C ZINC000604269857 1067738254 /nfs/dbraw/zinc/73/82/54/1067738254.db2.gz GMUBWDPJNKJWEC-UHFFFAOYSA-N 0 0 494.520 0.637 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(C(F)(F)F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269861 1067738247 /nfs/dbraw/zinc/73/82/47/1067738247.db2.gz GSJGSEXIBWMULM-UHFFFAOYSA-N 0 0 494.495 0.379 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(=O)N(C)C)c1=O ZINC000604269867 1067738210 /nfs/dbraw/zinc/73/82/10/1067738210.db2.gz GUTOPVKUJXIDMQ-UHFFFAOYSA-N 0 0 454.552 0.568 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(=O)N(C)C ZINC000604269868 1067738328 /nfs/dbraw/zinc/73/83/28/1067738328.db2.gz GVIPKHISILLVSX-UHFFFAOYSA-N 0 0 456.568 0.271 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000604269878 1067738241 /nfs/dbraw/zinc/73/82/41/1067738241.db2.gz HCEALOJCIZWDCR-UHFFFAOYSA-N 0 0 477.384 0.790 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604269889 1067738186 /nfs/dbraw/zinc/73/81/86/1067738186.db2.gz HOHYSISSEKKYKE-UHFFFAOYSA-N 0 0 483.377 0.570 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604269890 1067738292 /nfs/dbraw/zinc/73/82/92/1067738292.db2.gz HPGZNAQKYVWQRG-UHFFFAOYSA-N 0 0 462.478 0.381 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)N(C)C ZINC000604269893 1067738220 /nfs/dbraw/zinc/73/82/20/1067738220.db2.gz HRFAQDOAXIBUKV-UHFFFAOYSA-N 0 0 493.383 0.026 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C ZINC000604269894 1067738166 /nfs/dbraw/zinc/73/81/66/1067738166.db2.gz HSMDPJPAKINLIU-UHFFFAOYSA-N 0 0 477.546 0.933 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604269898 1067738532 /nfs/dbraw/zinc/73/85/32/1067738532.db2.gz HVQOHIWXHWVERN-UHFFFAOYSA-N 0 0 458.609 0.995 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604269900 1067738910 /nfs/dbraw/zinc/73/89/10/1067738910.db2.gz HXIMHAMTNJYECL-UHFFFAOYSA-N 0 0 496.511 0.673 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604269907 1067738822 /nfs/dbraw/zinc/73/88/22/1067738822.db2.gz IHPYQIDJDKNCLA-UHFFFAOYSA-N 0 0 495.649 0.789 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(=O)N(C)C ZINC000604269909 1067738890 /nfs/dbraw/zinc/73/88/90/1067738890.db2.gz IKTQEYKOAQVPNN-UHFFFAOYSA-N 0 0 478.521 0.322 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(C(F)(F)F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604269910 1067738817 /nfs/dbraw/zinc/73/88/17/1067738817.db2.gz ILFWSJGMXKMDAB-UHFFFAOYSA-N 0 0 464.469 0.798 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604269911 1067739258 /nfs/dbraw/zinc/73/92/58/1067739258.db2.gz IQSNVLMKMBMYCK-UHFFFAOYSA-N 0 0 489.395 0.886 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604269912 1067739272 /nfs/dbraw/zinc/73/92/72/1067739272.db2.gz IQZCVPNQYAQCPS-UHFFFAOYSA-N 0 0 475.368 0.542 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2c(Cl)cccc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269913 1067739307 /nfs/dbraw/zinc/73/93/07/1067739307.db2.gz IRGPUGSMUGUUDK-UHFFFAOYSA-N 0 0 495.388 0.667 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604269915 1067739174 /nfs/dbraw/zinc/73/91/74/1067739174.db2.gz IRRDKWOUAWOYSI-UHFFFAOYSA-N 0 0 483.377 0.570 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Cl)c(Cl)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269916 1067739240 /nfs/dbraw/zinc/73/92/40/1067739240.db2.gz IRVFUVWSGZYZBS-UHFFFAOYSA-N 0 0 495.388 0.667 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604269921 1067739187 /nfs/dbraw/zinc/73/91/87/1067739187.db2.gz JFVWCWNUOXRXKR-UHFFFAOYSA-N 0 0 473.624 0.035 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604269930 1067739248 /nfs/dbraw/zinc/73/92/48/1067739248.db2.gz JOZBYFSAVXYUQW-UHFFFAOYSA-N 0 0 462.934 0.916 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(C(F)(F)F)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269931 1067739233 /nfs/dbraw/zinc/73/92/33/1067739233.db2.gz JQEJCOIPMBEQIK-UHFFFAOYSA-N 0 0 494.495 0.379 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604269933 1067739198 /nfs/dbraw/zinc/73/91/98/1067739198.db2.gz JRKSMWGVLLJWNX-UHFFFAOYSA-N 0 0 475.368 0.542 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(=O)N(C)C ZINC000604269934 1067739180 /nfs/dbraw/zinc/73/91/80/1067739180.db2.gz JSDGMWOUAOKWOW-UHFFFAOYSA-N 0 0 472.567 0.052 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604269939 1067739167 /nfs/dbraw/zinc/73/91/67/1067739167.db2.gz JWEPJZOOGFFKQY-UHFFFAOYSA-N 0 0 461.547 0.672 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604269941 1067739211 /nfs/dbraw/zinc/73/92/11/1067739211.db2.gz JWZNFONOSPWSOR-UHFFFAOYSA-N 0 0 460.506 0.838 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604269951 1067739277 /nfs/dbraw/zinc/73/92/77/1067739277.db2.gz KMIGDDDRGAOUES-UHFFFAOYSA-N 0 0 469.523 0.468 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2csc3ccccc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269952 1067739263 /nfs/dbraw/zinc/73/92/63/1067739263.db2.gz AADLNRHLCDOHRM-UHFFFAOYSA-N 0 0 482.587 0.575 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000604269955 1067739205 /nfs/dbraw/zinc/73/92/05/1067739205.db2.gz KPQAVFYONJLNRS-UHFFFAOYSA-N 0 0 482.484 0.282 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(=O)N(C)C ZINC000604269961 1067739161 /nfs/dbraw/zinc/73/91/61/1067739161.db2.gz KXDDPPYUGGOJKF-UHFFFAOYSA-N 0 0 456.568 0.352 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604269965 1067739298 /nfs/dbraw/zinc/73/92/98/1067739298.db2.gz AFKROENNXXAYJE-UHFFFAOYSA-N 0 0 490.557 0.192 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(=O)N(C)C ZINC000604269970 1067739292 /nfs/dbraw/zinc/73/92/92/1067739292.db2.gz AFRPMFFNMRGANS-UHFFFAOYSA-N 0 0 484.603 0.868 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(=O)N(C)C ZINC000604269971 1067739284 /nfs/dbraw/zinc/73/92/84/1067739284.db2.gz AINSHASNUJWLSM-UHFFFAOYSA-N 0 0 483.413 0.851 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604269972 1067739219 /nfs/dbraw/zinc/73/92/19/1067739219.db2.gz LDMVQGNGCQEEIH-UHFFFAOYSA-N 0 0 481.622 0.228 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)c(C)cc3C)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604269975 1067738666 /nfs/dbraw/zinc/73/86/66/1067738666.db2.gz AKSZEYVHTAKGAT-UHFFFAOYSA-N 0 0 495.649 0.590 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Cl)cc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604269980 1067738588 /nfs/dbraw/zinc/73/85/88/1067738588.db2.gz LHOSHTCGAYKRLH-UHFFFAOYSA-N 0 0 495.388 0.667 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604269981 1067738921 /nfs/dbraw/zinc/73/89/21/1067738921.db2.gz LJVIKDKRYHKJQQ-UHFFFAOYSA-N 0 0 456.568 0.352 20 30 JCEDRN CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604269989 1067738803 /nfs/dbraw/zinc/73/88/03/1067738803.db2.gz LUHRBCWZMMNUKX-UHFFFAOYSA-N 0 0 468.579 0.483 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC(=O)N(C)C)c1=O ZINC000604269992 1067738837 /nfs/dbraw/zinc/73/88/37/1067738837.db2.gz BAAXJHSDBFYMSA-UHFFFAOYSA-N 0 0 496.589 0.962 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604270000 1067738842 /nfs/dbraw/zinc/73/88/42/1067738842.db2.gz MDWKMCBWZVCABF-UHFFFAOYSA-N 0 0 469.523 0.468 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270001 1067738807 /nfs/dbraw/zinc/73/88/07/1067738807.db2.gz MFFHIFDUUIARTO-UHFFFAOYSA-N 0 0 494.520 0.255 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c(Cl)c1 ZINC000604270002 1067738873 /nfs/dbraw/zinc/73/88/73/1067738873.db2.gz BASROIOUEZFSMC-UHFFFAOYSA-N 0 0 474.970 0.785 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C ZINC000604270005 1067738943 /nfs/dbraw/zinc/73/89/43/1067738943.db2.gz MKSNPWRXOJHJAP-UHFFFAOYSA-N 0 0 479.562 0.202 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270006 1067738881 /nfs/dbraw/zinc/73/88/81/1067738881.db2.gz BDLJOPWYYVMLRX-UHFFFAOYSA-N 0 0 468.579 0.912 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CC(=O)N(C)C ZINC000604270014 1067738931 /nfs/dbraw/zinc/73/89/31/1067738931.db2.gz BXLWOGVPQAEEHW-UHFFFAOYSA-N 0 0 456.568 0.816 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(=O)N(C)C ZINC000604270019 1067738900 /nfs/dbraw/zinc/73/89/00/1067738900.db2.gz MRHRTQPQGJQNGR-UHFFFAOYSA-N 0 0 482.484 0.282 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000604270026 1067738866 /nfs/dbraw/zinc/73/88/66/1067738866.db2.gz MWCUBOPYNVMZLW-UHFFFAOYSA-N 0 0 496.570 0.972 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270030 1067738964 /nfs/dbraw/zinc/73/89/64/1067738964.db2.gz MZUYNWAVUAIKCK-UHFFFAOYSA-N 0 0 456.568 0.216 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(=O)N(C)C ZINC000604270034 1067738849 /nfs/dbraw/zinc/73/88/49/1067738849.db2.gz NEIMYRSAVWWWPC-UHFFFAOYSA-N 0 0 470.595 0.661 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270037 1067738857 /nfs/dbraw/zinc/73/88/57/1067738857.db2.gz CHEPYIXUVGWBAQ-UHFFFAOYSA-N 0 0 482.562 0.346 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604270039 1067738796 /nfs/dbraw/zinc/73/87/96/1067738796.db2.gz NHSDUEFEPLOHPE-UHFFFAOYSA-N 0 0 478.521 0.322 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(SC)cc3)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604270042 1067738952 /nfs/dbraw/zinc/73/89/52/1067738952.db2.gz NLCMBOOSKHSASF-UHFFFAOYSA-N 0 0 499.662 0.387 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604270047 1067739910 /nfs/dbraw/zinc/73/99/10/1067739910.db2.gz NSJCXGJJAMOFFG-UHFFFAOYSA-N 0 0 455.496 0.032 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(=O)N(C)C ZINC000604270048 1067740249 /nfs/dbraw/zinc/74/02/49/1067740249.db2.gz NUFAGQKTRVVIKP-UHFFFAOYSA-N 0 0 462.597 0.414 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270050 1067740231 /nfs/dbraw/zinc/74/02/31/1067740231.db2.gz NVTKJLWAXRYPRI-UHFFFAOYSA-N 0 0 470.595 0.777 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)N(C)C ZINC000604270052 1067740007 /nfs/dbraw/zinc/74/00/07/1067740007.db2.gz NXDNKCAFJWBCSV-UHFFFAOYSA-N 0 0 457.512 0.326 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270062 1067740645 /nfs/dbraw/zinc/74/06/45/1067740645.db2.gz COLOSQKSIIKKJD-UHFFFAOYSA-N 0 0 470.551 0.204 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270067 1067740279 /nfs/dbraw/zinc/74/02/79/1067740279.db2.gz OOFGJOFMWYHZIN-UHFFFAOYSA-N 0 0 488.635 0.766 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604270072 1067740632 /nfs/dbraw/zinc/74/06/32/1067740632.db2.gz ORMOLINHGAELRK-UHFFFAOYSA-N 0 0 460.506 0.838 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270074 1067740294 /nfs/dbraw/zinc/74/02/94/1067740294.db2.gz CYVOEAWPLRGPAS-UHFFFAOYSA-N 0 0 456.568 0.814 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604270078 1067740668 /nfs/dbraw/zinc/74/06/68/1067740668.db2.gz DCZIDFRQCSXAKV-UHFFFAOYSA-N 0 0 452.536 0.058 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc(OC)c1OC ZINC000604270088 1067740240 /nfs/dbraw/zinc/74/02/40/1067740240.db2.gz PJSHMXKRHSBOAE-UHFFFAOYSA-N 0 0 488.566 0.051 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(=O)N(C)C ZINC000604270089 1067740211 /nfs/dbraw/zinc/74/02/11/1067740211.db2.gz DVNCIIQXGXCEGW-UHFFFAOYSA-N 0 0 498.483 0.162 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(=O)N(C)C ZINC000604270092 1067739554 /nfs/dbraw/zinc/73/95/54/1067739554.db2.gz DYCUZVXFOIHOOC-UHFFFAOYSA-N 0 0 483.413 0.850 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270093 1067739972 /nfs/dbraw/zinc/73/99/72/1067739972.db2.gz DYENQZIVJAIKPC-UHFFFAOYSA-N 0 0 454.552 0.568 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(=O)N(C)C ZINC000604270094 1067740283 /nfs/dbraw/zinc/74/02/83/1067740283.db2.gz DYRPXTHSKJQXIV-UHFFFAOYSA-N 0 0 480.546 0.524 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(=O)N(C)C ZINC000604270095 1067739965 /nfs/dbraw/zinc/73/99/65/1067739965.db2.gz DZBZDFFSHYDKFM-UHFFFAOYSA-N 0 0 480.550 0.272 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270097 1067740306 /nfs/dbraw/zinc/74/03/06/1067740306.db2.gz FEBASVOTMKLRDQ-UHFFFAOYSA-N 0 0 482.484 0.924 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604270098 1067739933 /nfs/dbraw/zinc/73/99/33/1067739933.db2.gz FFUPBQAXVTVYFK-UHFFFAOYSA-N 0 0 486.594 0.361 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c(Cl)c1 ZINC000604270102 1067739999 /nfs/dbraw/zinc/73/99/99/1067739999.db2.gz FMNGEKQNBBBZQM-UHFFFAOYSA-N 0 0 476.986 0.935 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)s3)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604270112 1067739984 /nfs/dbraw/zinc/73/99/84/1067739984.db2.gz GDUCOXOLPVBTQQ-UHFFFAOYSA-N 0 0 494.042 0.380 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000604270113 1067739907 /nfs/dbraw/zinc/73/99/07/1067739907.db2.gz GGZQXDKAUNJOSB-UHFFFAOYSA-N 0 0 499.412 0.088 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270114 1067739583 /nfs/dbraw/zinc/73/95/83/1067739583.db2.gz GHOJLFATLGUKJQ-UHFFFAOYSA-N 0 0 498.605 0.585 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2csc3ccccc23)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270115 1067739945 /nfs/dbraw/zinc/73/99/45/1067739945.db2.gz GIJWJWOELRMRIM-UHFFFAOYSA-N 0 0 452.561 0.994 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(=O)N(C)C ZINC000604270119 1067740270 /nfs/dbraw/zinc/74/02/70/1067740270.db2.gz GPAHTOHLMFCNGL-UHFFFAOYSA-N 0 0 456.568 0.189 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(=O)N(C)C)c1=O ZINC000604270120 1067740556 /nfs/dbraw/zinc/74/05/56/1067740556.db2.gz GPQRBCLRXKBHMF-UHFFFAOYSA-N 0 0 494.573 0.668 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2csc(Br)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270123 1067739916 /nfs/dbraw/zinc/73/99/16/1067739916.db2.gz GTIPFMWSGWDAJV-UHFFFAOYSA-N 0 0 481.397 0.604 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(=O)N(C)C ZINC000604270125 1067740304 /nfs/dbraw/zinc/74/03/04/1067740304.db2.gz HKGDYEVAKVRWQG-UHFFFAOYSA-N 0 0 454.552 0.352 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(=O)N(C)C ZINC000604270126 1067740236 /nfs/dbraw/zinc/74/02/36/1067740236.db2.gz HKMUFJRGYLNRCJ-UHFFFAOYSA-N 0 0 470.595 0.579 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270128 1067740262 /nfs/dbraw/zinc/74/02/62/1067740262.db2.gz HNFZTPXPVDMZRP-UHFFFAOYSA-N 0 0 460.531 0.183 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270129 1067739926 /nfs/dbraw/zinc/73/99/26/1067739926.db2.gz HNSFTHKQEBHBRD-UHFFFAOYSA-N 0 0 454.552 0.522 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270132 1067740289 /nfs/dbraw/zinc/74/02/89/1067740289.db2.gz HRWROFUFCDBHDH-UHFFFAOYSA-N 0 0 472.567 0.051 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604270136 1067739978 /nfs/dbraw/zinc/73/99/78/1067739978.db2.gz ICPTUZAZDGDPGF-UHFFFAOYSA-N 0 0 488.953 0.506 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1F ZINC000604270137 1067740257 /nfs/dbraw/zinc/74/02/57/1067740257.db2.gz IIXQNFSYPIXFAK-UHFFFAOYSA-N 0 0 472.542 0.708 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270141 1067739922 /nfs/dbraw/zinc/73/99/22/1067739922.db2.gz IQGIYKDJPRJZBV-UHFFFAOYSA-N 0 0 484.578 0.149 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604270143 1067739889 /nfs/dbraw/zinc/73/98/89/1067739889.db2.gz IXJXQYABGGJBBQ-UHFFFAOYSA-N 0 0 488.013 0.319 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270148 1067740266 /nfs/dbraw/zinc/74/02/66/1067740266.db2.gz PQPMEHWETDIYSL-UHFFFAOYSA-N 0 0 497.404 0.961 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)ccc3C)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604270149 1067740220 /nfs/dbraw/zinc/74/02/20/1067740220.db2.gz PSKOYOYZRMDJNT-UHFFFAOYSA-N 0 0 481.622 0.282 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000604270153 1067739883 /nfs/dbraw/zinc/73/98/83/1067739883.db2.gz PXTPYCJMXCYMII-UHFFFAOYSA-N 0 0 496.570 0.972 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C ZINC000604270154 1067740310 /nfs/dbraw/zinc/74/03/10/1067740310.db2.gz PZKCYSPOLNHDAN-UHFFFAOYSA-N 0 0 460.531 0.183 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C ZINC000604270160 1067740299 /nfs/dbraw/zinc/74/02/99/1067740299.db2.gz QEGUGQIEJMBBGI-UHFFFAOYSA-N 0 0 476.986 0.697 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(C(F)(F)F)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270161 1067740612 /nfs/dbraw/zinc/74/06/12/1067740612.db2.gz QFYFGCAVLFQUGB-UHFFFAOYSA-N 0 0 464.469 0.798 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(Cl)c2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270163 1067739903 /nfs/dbraw/zinc/73/99/03/1067739903.db2.gz QJSHBYNYBILXIB-UHFFFAOYSA-N 0 0 495.388 0.667 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C ZINC000604270166 1067739958 /nfs/dbraw/zinc/73/99/58/1067739958.db2.gz QRESZLDKELNYSH-UHFFFAOYSA-N 0 0 462.959 0.307 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270174 1067740254 /nfs/dbraw/zinc/74/02/54/1067740254.db2.gz RFZPVIGGOWRVIK-UHFFFAOYSA-N 0 0 454.552 0.568 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2C(F)(F)F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270180 1067739900 /nfs/dbraw/zinc/73/99/00/1067739900.db2.gz ROZLDKKJGCQDOY-UHFFFAOYSA-N 0 0 494.495 0.379 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270182 1067740273 /nfs/dbraw/zinc/74/02/73/1067740273.db2.gz RWUGLZHUHDWSBV-UHFFFAOYSA-N 0 0 494.976 0.836 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCCC1 ZINC000604270186 1067739950 /nfs/dbraw/zinc/73/99/50/1067739950.db2.gz RZLZTFFVXYGZAW-UHFFFAOYSA-N 0 0 455.496 0.032 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(=O)N(C)C ZINC000604270187 1067739939 /nfs/dbraw/zinc/73/99/39/1067739939.db2.gz SAVUJZJXZUZASC-UHFFFAOYSA-N 0 0 493.383 0.026 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270189 1067740637 /nfs/dbraw/zinc/74/06/37/1067740637.db2.gz SBWWAMSMCRZMOI-UHFFFAOYSA-N 0 0 464.494 0.627 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(=O)N(C)C ZINC000604270194 1067739564 /nfs/dbraw/zinc/73/95/64/1067739564.db2.gz SJBFJMYMMLPBHJ-UHFFFAOYSA-N 0 0 457.512 0.326 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604270196 1067739655 /nfs/dbraw/zinc/73/96/55/1067739655.db2.gz SLOFOIJJIPTUBZ-UHFFFAOYSA-N 0 0 488.013 0.319 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)N(C)C ZINC000604270197 1067739647 /nfs/dbraw/zinc/73/96/47/1067739647.db2.gz SMRAVXLUNLSRID-UHFFFAOYSA-N 0 0 457.512 0.326 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3C)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604270198 1067739688 /nfs/dbraw/zinc/73/96/88/1067739688.db2.gz SNOIJEILRCSZEU-UHFFFAOYSA-N 0 0 481.622 0.282 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000604270207 1067739642 /nfs/dbraw/zinc/73/96/42/1067739642.db2.gz SWWREMZONCGUJH-UHFFFAOYSA-N 0 0 496.511 0.673 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270208 1067739599 /nfs/dbraw/zinc/73/95/99/1067739599.db2.gz SYKXUPLTVVXLJV-UHFFFAOYSA-N 0 0 482.484 0.282 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000604270211 1067739573 /nfs/dbraw/zinc/73/95/73/1067739573.db2.gz TUWCENISTONVKS-UHFFFAOYSA-N 0 0 490.541 0.911 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(=O)N(C)C ZINC000604270216 1067739578 /nfs/dbraw/zinc/73/95/78/1067739578.db2.gz UAJATSUKONJTJT-UHFFFAOYSA-N 0 0 483.377 0.570 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3C)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604270218 1067739673 /nfs/dbraw/zinc/73/96/73/1067739673.db2.gz UCOZDOCWDUAFLN-UHFFFAOYSA-N 0 0 473.624 0.035 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270221 1067739624 /nfs/dbraw/zinc/73/96/24/1067739624.db2.gz UFJQXORRHHGKKZ-UHFFFAOYSA-N 0 0 477.384 0.788 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270233 1067739541 /nfs/dbraw/zinc/73/95/41/1067739541.db2.gz VHYMNAZYSOAWRJ-UHFFFAOYSA-N 0 0 454.552 0.568 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270235 1067739591 /nfs/dbraw/zinc/73/95/91/1067739591.db2.gz VJVNZIKBJQRDRL-UHFFFAOYSA-N 0 0 456.593 0.845 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270238 1067739633 /nfs/dbraw/zinc/73/96/33/1067739633.db2.gz VMNPRZASFFYMRD-UHFFFAOYSA-N 0 0 472.567 0.052 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270250 1067739558 /nfs/dbraw/zinc/73/95/58/1067739558.db2.gz JHQFEJROONSTDE-UHFFFAOYSA-N 0 0 472.567 0.052 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270252 1067739547 /nfs/dbraw/zinc/73/95/47/1067739547.db2.gz JLQQHQHTUWHVEZ-UHFFFAOYSA-N 0 0 456.568 0.672 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(=O)N(C)C ZINC000604270253 1067739605 /nfs/dbraw/zinc/73/96/05/1067739605.db2.gz JQWMPHDLJBRQHD-UHFFFAOYSA-N 0 0 454.552 0.208 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270254 1067739612 /nfs/dbraw/zinc/73/96/12/1067739612.db2.gz JRIVGHLVGAPKMW-UHFFFAOYSA-N 0 0 472.567 0.052 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc(C)c1OC(F)F ZINC000604270258 1067739569 /nfs/dbraw/zinc/73/95/69/1067739569.db2.gz JYNOBRRKSBDJLC-UHFFFAOYSA-N 0 0 490.532 0.998 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C ZINC000604270267 1067740541 /nfs/dbraw/zinc/74/05/41/1067740541.db2.gz KENTXOBQUUDEOW-UHFFFAOYSA-N 0 0 452.989 0.988 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270268 1067740628 /nfs/dbraw/zinc/74/06/28/1067740628.db2.gz KFRMRIVTXBXFLC-UHFFFAOYSA-N 0 0 488.953 0.204 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Br)s2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270276 1067740596 /nfs/dbraw/zinc/74/05/96/1067740596.db2.gz KMTULVUKWZNYGJ-UHFFFAOYSA-N 0 0 481.397 0.604 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604270282 1067740580 /nfs/dbraw/zinc/74/05/80/1067740580.db2.gz KWTSQMZPKPRYLE-UHFFFAOYSA-N 0 0 468.579 0.877 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(=O)N(C)C ZINC000604270286 1067740548 /nfs/dbraw/zinc/74/05/48/1067740548.db2.gz LMWBBCNWZFEFGH-UHFFFAOYSA-N 0 0 498.605 0.585 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(=O)N(C)C ZINC000604270287 1067740618 /nfs/dbraw/zinc/74/06/18/1067740618.db2.gz LPTVBYVWODOJQB-UHFFFAOYSA-N 0 0 470.576 0.478 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Br)s2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604270288 1067740662 /nfs/dbraw/zinc/74/06/62/1067740662.db2.gz LUZMWCYNNCOWOU-UHFFFAOYSA-N 0 0 495.424 0.947 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(=O)N(C)C ZINC000604270293 1067740529 /nfs/dbraw/zinc/74/05/29/1067740529.db2.gz MHKDBZKOPQYPNQ-UHFFFAOYSA-N 0 0 483.377 0.570 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(=O)N(C)C ZINC000604270294 1067740947 /nfs/dbraw/zinc/74/09/47/1067740947.db2.gz MIPNRJAISLWSJV-UHFFFAOYSA-N 0 0 482.484 0.924 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000604270300 1067740536 /nfs/dbraw/zinc/74/05/36/1067740536.db2.gz MUWXRBYSMUYVOR-UHFFFAOYSA-N 0 0 495.374 0.929 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(=O)N(C)C ZINC000604270305 1067740653 /nfs/dbraw/zinc/74/06/53/1067740653.db2.gz MUYDOMVVENVOBL-UHFFFAOYSA-N 0 0 490.969 0.450 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270314 1067740570 /nfs/dbraw/zinc/74/05/70/1067740570.db2.gz VUYIHXFMQYWXOU-UHFFFAOYSA-N 0 0 497.404 0.961 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C ZINC000604270325 1067740561 /nfs/dbraw/zinc/74/05/61/1067740561.db2.gz VZYDFACWIJPTPA-UHFFFAOYSA-N 0 0 463.563 0.966 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270335 1067740587 /nfs/dbraw/zinc/74/05/87/1067740587.db2.gz NFEBLYRJIJMEKD-UHFFFAOYSA-N 0 0 466.972 0.075 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000604270346 1067741260 /nfs/dbraw/zinc/74/12/60/1067741260.db2.gz WOZOQGCHWADJIH-UHFFFAOYSA-N 0 0 477.384 0.788 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(=O)N(C)C ZINC000604270347 1067741216 /nfs/dbraw/zinc/74/12/16/1067741216.db2.gz NHUITVCEQKZWEF-UHFFFAOYSA-N 0 0 476.942 0.409 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604270350 1067741606 /nfs/dbraw/zinc/74/16/06/1067741606.db2.gz WRKSRCGUDAVIDC-UHFFFAOYSA-N 0 0 469.523 0.468 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270356 1067741335 /nfs/dbraw/zinc/74/13/35/1067741335.db2.gz NIJMGMVMOZNMAB-UHFFFAOYSA-N 0 0 486.594 0.298 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270357 1067741240 /nfs/dbraw/zinc/74/12/40/1067741240.db2.gz NIZYTNBPIHANGP-UHFFFAOYSA-N 0 0 468.579 0.959 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270360 1067741300 /nfs/dbraw/zinc/74/13/00/1067741300.db2.gz NKYZQNSPCJVSGS-UHFFFAOYSA-N 0 0 497.621 0.064 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270367 1067741326 /nfs/dbraw/zinc/74/13/26/1067741326.db2.gz XBLVNSUWBDRESG-UHFFFAOYSA-N 0 0 470.595 0.606 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C ZINC000604270368 1067741588 /nfs/dbraw/zinc/74/15/88/1067741588.db2.gz NLQKCRILSJYYCZ-UHFFFAOYSA-N 0 0 468.988 0.369 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604270372 1067741292 /nfs/dbraw/zinc/74/12/92/1067741292.db2.gz NOQKZTDZBCCEPG-UHFFFAOYSA-N 0 0 468.579 0.285 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(=O)N(C)C ZINC000604270375 1067741231 /nfs/dbraw/zinc/74/12/31/1067741231.db2.gz NPAMEEFRNPJLMF-UHFFFAOYSA-N 0 0 490.969 0.655 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(=O)N(C)C ZINC000604270385 1067741592 /nfs/dbraw/zinc/74/15/92/1067741592.db2.gz XOYHCCLSVHQKMZ-UHFFFAOYSA-N 0 0 488.566 0.053 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270386 1067741344 /nfs/dbraw/zinc/74/13/44/1067741344.db2.gz NWRRQAATWZEKGV-UHFFFAOYSA-N 0 0 460.943 0.013 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000604270391 1067741581 /nfs/dbraw/zinc/74/15/81/1067741581.db2.gz OGHUDYJJDPSSRY-UHFFFAOYSA-N 0 0 495.374 0.927 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270397 1067741549 /nfs/dbraw/zinc/74/15/49/1067741549.db2.gz OKWBSRBCPPNHNI-UHFFFAOYSA-N 0 0 482.484 0.926 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270402 1067741281 /nfs/dbraw/zinc/74/12/81/1067741281.db2.gz YBKJXQYGVZFQNY-UHFFFAOYSA-N 0 0 483.377 0.570 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(=O)N(C)C ZINC000604270403 1067741267 /nfs/dbraw/zinc/74/12/67/1067741267.db2.gz YCAVYOMKIUFZRS-UHFFFAOYSA-N 0 0 477.384 0.788 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270404 1067741618 /nfs/dbraw/zinc/74/16/18/1067741618.db2.gz YCHKSDMYHMDLRE-UHFFFAOYSA-N 0 0 497.404 0.961 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270416 1067741554 /nfs/dbraw/zinc/74/15/54/1067741554.db2.gz YJBVFHFIPTYOGU-UHFFFAOYSA-N 0 0 477.384 0.790 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(=O)N(C)C ZINC000604270421 1067741573 /nfs/dbraw/zinc/74/15/73/1067741573.db2.gz YNQPSEKORROMJT-UHFFFAOYSA-N 0 0 472.567 0.052 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270426 1067741602 /nfs/dbraw/zinc/74/16/02/1067741602.db2.gz ZAKGZCGZWCNZGY-UHFFFAOYSA-N 0 0 462.959 0.307 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000604270432 1067741577 /nfs/dbraw/zinc/74/15/77/1067741577.db2.gz ZEPCNMVMAKGEDR-UHFFFAOYSA-N 0 0 493.383 0.026 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604270433 1067741979 /nfs/dbraw/zinc/74/19/79/1067741979.db2.gz ZFWVGUUEVSXFDD-UHFFFAOYSA-N 0 0 489.395 0.886 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270443 1067741916 /nfs/dbraw/zinc/74/19/16/1067741916.db2.gz ZRCGLAZFOPWFMS-UHFFFAOYSA-N 0 0 472.592 0.082 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270444 1067741569 /nfs/dbraw/zinc/74/15/69/1067741569.db2.gz ORHKOMGZEXAEIH-UHFFFAOYSA-N 0 0 490.541 0.926 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCCOC)n(CC(=O)N(C)C)c1=O ZINC000604270445 1067741559 /nfs/dbraw/zinc/74/15/59/1067741559.db2.gz OSKFVAINTHSKGH-UHFFFAOYSA-N 0 0 482.562 0.572 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(=O)N(C)C ZINC000604270447 1067741598 /nfs/dbraw/zinc/74/15/98/1067741598.db2.gz OTYPZLXNGKOAOM-UHFFFAOYSA-N 0 0 476.942 0.408 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC(=O)N(C)C ZINC000604270453 1067741556 /nfs/dbraw/zinc/74/15/56/1067741556.db2.gz OUWTVRIBCWTAOU-UHFFFAOYSA-N 0 0 472.567 0.052 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604270456 1067742039 /nfs/dbraw/zinc/74/20/39/1067742039.db2.gz PDJQNNMIJZUXAZ-UHFFFAOYSA-N 0 0 460.531 0.565 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000604270465 1067741547 /nfs/dbraw/zinc/74/15/47/1067741547.db2.gz QIFDLXMYFSDQMS-UHFFFAOYSA-N 0 0 483.413 0.850 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(OC(F)(F)F)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270466 1067741614 /nfs/dbraw/zinc/74/16/14/1067741614.db2.gz QIIUBQDZFNONDY-UHFFFAOYSA-N 0 0 480.468 0.678 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270469 1067741552 /nfs/dbraw/zinc/74/15/52/1067741552.db2.gz QPQQSOFVKANFQL-UHFFFAOYSA-N 0 0 474.926 0.162 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc(Cl)cc(Cl)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270471 1067741823 /nfs/dbraw/zinc/74/18/23/1067741823.db2.gz QSISSPWHQYNGEX-UHFFFAOYSA-N 0 0 495.388 0.667 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270473 1067741564 /nfs/dbraw/zinc/74/15/64/1067741564.db2.gz QYXKLGBIAJKQLM-UHFFFAOYSA-N 0 0 462.959 0.689 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(F)c(Br)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270474 1067741740 /nfs/dbraw/zinc/74/17/40/1067741740.db2.gz QZXLCFLOKYIYDZ-UHFFFAOYSA-N 0 0 493.358 0.681 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(=O)N(C)C ZINC000604270475 1067741610 /nfs/dbraw/zinc/74/16/10/1067741610.db2.gz RBYKEFIKTWIDDA-UHFFFAOYSA-N 0 0 496.614 0.992 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604270478 1067741813 /nfs/dbraw/zinc/74/18/13/1067741813.db2.gz RHDBMLKWXYOTAJ-UHFFFAOYSA-N 0 0 454.552 0.441 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604270480 1067741594 /nfs/dbraw/zinc/74/15/94/1067741594.db2.gz RLCPGLJPEXEQDQ-UHFFFAOYSA-N 0 0 466.563 0.495 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(=O)N(C)C ZINC000604270482 1067742085 /nfs/dbraw/zinc/74/20/85/1067742085.db2.gz RPNIZXBYQWKCQK-UHFFFAOYSA-N 0 0 484.622 0.969 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(=O)N(C)C ZINC000604270487 1067741018 /nfs/dbraw/zinc/74/10/18/1067741018.db2.gz SMPVIKSZUJPJAC-UHFFFAOYSA-N 0 0 494.573 0.914 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C ZINC000604270489 1067741244 /nfs/dbraw/zinc/74/12/44/1067741244.db2.gz SOAGSBJPVASHJI-UHFFFAOYSA-N 0 0 483.015 0.759 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270491 1067740988 /nfs/dbraw/zinc/74/09/88/1067740988.db2.gz SQCOLNRGBUOJFR-UHFFFAOYSA-N 0 0 492.985 0.316 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604270492 1067741206 /nfs/dbraw/zinc/74/12/06/1067741206.db2.gz SQRHVEHIBVMLHD-UHFFFAOYSA-N 0 0 497.556 0.137 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270493 1067740999 /nfs/dbraw/zinc/74/09/99/1067740999.db2.gz SSVKIOQYGCDYOJ-UHFFFAOYSA-N 0 0 498.483 0.162 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604270499 1067740961 /nfs/dbraw/zinc/74/09/61/1067740961.db2.gz TYPQZWBWINQQEX-UHFFFAOYSA-N 0 0 456.568 0.590 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1F ZINC000604270502 1067741213 /nfs/dbraw/zinc/74/12/13/1067741213.db2.gz UGHPWLDMVWIZQE-UHFFFAOYSA-N 0 0 460.531 0.421 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270505 1067740971 /nfs/dbraw/zinc/74/09/71/1067740971.db2.gz UJGOUSYRCCQBKN-UHFFFAOYSA-N 0 0 484.578 0.149 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000604270507 1067740900 /nfs/dbraw/zinc/74/09/00/1067740900.db2.gz UPGGHERLIMMMJZ-UHFFFAOYSA-N 0 0 483.413 0.851 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604270509 1067741197 /nfs/dbraw/zinc/74/11/97/1067741197.db2.gz URQOYDYEYPIRQK-UHFFFAOYSA-N 0 0 456.568 0.734 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270516 1067741013 /nfs/dbraw/zinc/74/10/13/1067741013.db2.gz VLMNSHRRSFXRQU-UHFFFAOYSA-N 0 0 470.551 0.060 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2csc(Br)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604270517 1067740840 /nfs/dbraw/zinc/74/08/40/1067740840.db2.gz VMPCBYORMVLDKD-UHFFFAOYSA-N 0 0 495.424 0.947 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1F ZINC000604270520 1067740863 /nfs/dbraw/zinc/74/08/63/1067740863.db2.gz VPOACWLNEQHCGJ-UHFFFAOYSA-N 0 0 458.515 0.271 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(-c3ccccc3)o2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270521 1067740918 /nfs/dbraw/zinc/74/09/18/1067740918.db2.gz VRZIOAGJSXBJTH-UHFFFAOYSA-N 0 0 492.557 0.620 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)c(Cl)c1 ZINC000604270525 1067740940 /nfs/dbraw/zinc/74/09/40/1067740940.db2.gz WDKYUZNVSQNUFF-UHFFFAOYSA-N 0 0 490.969 0.022 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604270528 1067741252 /nfs/dbraw/zinc/74/12/52/1067741252.db2.gz WQXDWRRCYTZFLN-UHFFFAOYSA-N 0 0 450.973 0.838 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(=O)N(C)C ZINC000604270532 1067741353 /nfs/dbraw/zinc/74/13/53/1067741353.db2.gz WWGGOUZGAMRMEU-UHFFFAOYSA-N 0 0 497.404 0.961 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c(Cl)c1 ZINC000604270533 1067740894 /nfs/dbraw/zinc/74/08/94/1067740894.db2.gz WXLCQBSBOFHKDN-UHFFFAOYSA-N 0 0 462.959 0.688 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CC(=O)N(C)C ZINC000604270535 1067741271 /nfs/dbraw/zinc/74/12/71/1067741271.db2.gz WYBPVIZPNCWPHA-UHFFFAOYSA-N 0 0 456.568 0.816 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2OC(F)(F)F)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270536 1067740853 /nfs/dbraw/zinc/74/08/53/1067740853.db2.gz XDKKAJSKCFVPDT-UHFFFAOYSA-N 0 0 480.468 0.678 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270542 1067741006 /nfs/dbraw/zinc/74/10/06/1067741006.db2.gz XMLOPHIKMNWBPH-UHFFFAOYSA-N 0 0 455.536 0.903 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(=O)N(C)C ZINC000604270545 1067740928 /nfs/dbraw/zinc/74/09/28/1067740928.db2.gz XRAYPRQVYRFKKG-UHFFFAOYSA-N 0 0 482.484 0.926 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(=O)N(C)C ZINC000604270556 1067740910 /nfs/dbraw/zinc/74/09/10/1067740910.db2.gz YVPBGEULAARSLX-UHFFFAOYSA-N 0 0 499.412 0.088 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270558 1067740873 /nfs/dbraw/zinc/74/08/73/1067740873.db2.gz YXVHNZRSTQSBQD-UHFFFAOYSA-N 0 0 462.959 0.307 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(=O)N(C)C ZINC000604270560 1067741320 /nfs/dbraw/zinc/74/13/20/1067741320.db2.gz ZIJZTHXSYOQQAB-UHFFFAOYSA-N 0 0 490.969 0.452 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270563 1067740882 /nfs/dbraw/zinc/74/08/82/1067740882.db2.gz ZLZBSINTPDOCPX-UHFFFAOYSA-N 0 0 476.986 0.697 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c(Cl)c1 ZINC000604270566 1067741224 /nfs/dbraw/zinc/74/12/24/1067741224.db2.gz ZQBNLJDWJORJHT-UHFFFAOYSA-N 0 0 460.943 0.442 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(=O)N(C)C ZINC000604270569 1067740981 /nfs/dbraw/zinc/74/09/81/1067740981.db2.gz ZWTKKQFTFRKHHK-UHFFFAOYSA-N 0 0 490.969 0.799 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000604321101 1067742354 /nfs/dbraw/zinc/74/23/54/1067742354.db2.gz UXOIOSXLGRUUCZ-UHFFFAOYSA-N 0 0 451.487 0.943 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000604422293 1067743526 /nfs/dbraw/zinc/74/35/26/1067743526.db2.gz SPROBMJXDDCLPI-UHFFFAOYSA-N 0 0 498.565 0.946 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1-c1ccccc1 ZINC000604434188 1067744549 /nfs/dbraw/zinc/74/45/49/1067744549.db2.gz KKEDGEOXIAGZNB-UHFFFAOYSA-N 0 0 464.459 0.827 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604434297 1067744585 /nfs/dbraw/zinc/74/45/85/1067744585.db2.gz CKNHMPFSKVJGCA-UHFFFAOYSA-N 0 0 468.579 0.749 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000604434299 1067744254 /nfs/dbraw/zinc/74/42/54/1067744254.db2.gz DELUVXSTCOARBM-GFCCVEGCSA-N 0 0 486.506 0.578 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000604434301 1067744211 /nfs/dbraw/zinc/74/42/11/1067744211.db2.gz DELUVXSTCOARBM-LBPRGKRZSA-N 0 0 486.506 0.578 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1-c1ccccc1C#N ZINC000604434302 1067744273 /nfs/dbraw/zinc/74/42/73/1067744273.db2.gz FAYZTPNOYUBQLU-UHFFFAOYSA-N 0 0 489.469 0.699 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCCSC ZINC000604434309 1067744263 /nfs/dbraw/zinc/74/42/63/1067744263.db2.gz HHYFBSKAHZWJHR-UHFFFAOYSA-N 0 0 476.536 0.591 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604434310 1067744648 /nfs/dbraw/zinc/74/46/48/1067744648.db2.gz HSIVTBYVDMPOCM-UHFFFAOYSA-N 0 0 454.552 0.405 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604434312 1067744618 /nfs/dbraw/zinc/74/46/18/1067744618.db2.gz IJVDUYYDJJKCPN-UHFFFAOYSA-N 0 0 470.595 0.899 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604434320 1067744236 /nfs/dbraw/zinc/74/42/36/1067744236.db2.gz MDIZBPPGSJTQCF-UHFFFAOYSA-N 0 0 486.594 0.279 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604434322 1067744670 /nfs/dbraw/zinc/74/46/70/1067744670.db2.gz MNDSVTIAYPFLJR-UHFFFAOYSA-N 0 0 456.568 0.653 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000604434323 1067744314 /nfs/dbraw/zinc/74/43/14/1067744314.db2.gz NTZDVLWPDGZDFL-UHFFFAOYSA-N 0 0 484.490 0.286 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(=O)N(C)C ZINC000604434325 1067744267 /nfs/dbraw/zinc/74/42/67/1067744267.db2.gz NZUVIQNXPAHMTF-UHFFFAOYSA-N 0 0 486.506 0.406 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000604434326 1067744544 /nfs/dbraw/zinc/74/45/44/1067744544.db2.gz OFPFXVVKQLEEAG-UHFFFAOYSA-N 0 0 456.480 0.953 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000604434328 1067744675 /nfs/dbraw/zinc/74/46/75/1067744675.db2.gz PZHIDDZKVPXTGL-UHFFFAOYSA-N 0 0 486.506 0.580 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000604434335 1067744301 /nfs/dbraw/zinc/74/43/01/1067744301.db2.gz TVRMWUTZEMDYLY-UHFFFAOYSA-N 0 0 454.464 0.706 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604434340 1067744309 /nfs/dbraw/zinc/74/43/09/1067744309.db2.gz XMNAFDVVHSPRRV-UHFFFAOYSA-N 0 0 456.568 0.651 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000604434341 1067744200 /nfs/dbraw/zinc/74/42/00/1067744200.db2.gz XYZVPRITOCUJRK-UHFFFAOYSA-N 0 0 472.479 0.190 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000604434342 1067744221 /nfs/dbraw/zinc/74/42/21/1067744221.db2.gz YKRFLZUODOHPBC-UHFFFAOYSA-N 0 0 456.480 0.952 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC(C)C ZINC000604434348 1067743960 /nfs/dbraw/zinc/74/39/60/1067743960.db2.gz BPKHDIIRIHYNIL-UHFFFAOYSA-N 0 0 456.480 0.803 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000604434349 1067743882 /nfs/dbraw/zinc/74/38/82/1067743882.db2.gz BQCFJCVGRGKMSM-UHFFFAOYSA-N 0 0 454.464 0.557 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604434351 1067744291 /nfs/dbraw/zinc/74/42/91/1067744291.db2.gz CARDONIMLOQOOX-UHFFFAOYSA-N 0 0 486.506 0.361 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000604434354 1067744625 /nfs/dbraw/zinc/74/46/25/1067744625.db2.gz CGMAUQNESQLLSH-UHFFFAOYSA-N 0 0 488.522 0.655 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604434355 1067743888 /nfs/dbraw/zinc/74/38/88/1067743888.db2.gz CTUCJYAVIDEPJH-UHFFFAOYSA-N 0 0 484.490 0.137 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000604434360 1067744242 /nfs/dbraw/zinc/74/42/42/1067744242.db2.gz GSMNDNHRKFCLCL-CYBMUJFWSA-N 0 0 488.522 0.653 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000604434361 1067744572 /nfs/dbraw/zinc/74/45/72/1067744572.db2.gz GSMNDNHRKFCLCL-ZDUSSCGKSA-N 0 0 488.522 0.653 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000604434363 1067744230 /nfs/dbraw/zinc/74/42/30/1067744230.db2.gz GSVPZEXPLFGBNA-UHFFFAOYSA-N 0 0 474.495 0.265 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000604434370 1067743989 /nfs/dbraw/zinc/74/39/89/1067743989.db2.gz JYVVZAOOMZKMOM-UHFFFAOYSA-N 0 0 472.479 0.041 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(C)C ZINC000604434375 1067744653 /nfs/dbraw/zinc/74/46/53/1067744653.db2.gz LWIQOLKUZGWTRU-UHFFFAOYSA-N 0 0 488.522 0.511 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000604434378 1067744597 /nfs/dbraw/zinc/74/45/97/1067744597.db2.gz NBWPYAIUJKGBTE-CYBMUJFWSA-N 0 0 472.479 0.017 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000604434379 1067744579 /nfs/dbraw/zinc/74/45/79/1067744579.db2.gz NBWPYAIUJKGBTE-ZDUSSCGKSA-N 0 0 472.479 0.017 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000604434382 1067743897 /nfs/dbraw/zinc/74/38/97/1067743897.db2.gz NTSZSFAOSYNNMJ-CYBMUJFWSA-N 0 0 486.506 0.429 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000604434383 1067744193 /nfs/dbraw/zinc/74/41/93/1067744193.db2.gz NTSZSFAOSYNNMJ-ZDUSSCGKSA-N 0 0 486.506 0.429 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC ZINC000604434384 1067744523 /nfs/dbraw/zinc/74/45/23/1067744523.db2.gz OFOCHNCVNWNRSB-UHFFFAOYSA-N 0 0 474.495 0.265 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604434398 1067744217 /nfs/dbraw/zinc/74/42/17/1067744217.db2.gz SFPUZHBIPCHFTB-UHFFFAOYSA-N 0 0 468.491 0.901 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000604434400 1067744591 /nfs/dbraw/zinc/74/45/91/1067744591.db2.gz SRMXLXAQMAVKFX-UHFFFAOYSA-N 0 0 456.480 0.781 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCCC ZINC000604434402 1067744319 /nfs/dbraw/zinc/74/43/19/1067744319.db2.gz UKGCFNORXASUQF-UHFFFAOYSA-N 0 0 456.480 0.804 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000604434410 1067744283 /nfs/dbraw/zinc/74/42/83/1067744283.db2.gz WYOCPEOCEBUTNO-UHFFFAOYSA-N 0 0 486.506 0.431 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000604434412 1067744632 /nfs/dbraw/zinc/74/46/32/1067744632.db2.gz XJQRVKYKBFZYCL-HNNXBMFYSA-N 0 0 498.517 0.550 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000604434413 1067744567 /nfs/dbraw/zinc/74/45/67/1067744567.db2.gz XJQRVKYKBFZYCL-OAHLLOKOSA-N 0 0 498.517 0.550 20 30 JCEDRN CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604434423 1067744249 /nfs/dbraw/zinc/74/42/49/1067744249.db2.gz BNMSJRVWOSDTRA-UHFFFAOYSA-N 0 0 456.480 0.735 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC ZINC000604434424 1067744206 /nfs/dbraw/zinc/74/42/06/1067744206.db2.gz BPBKTNGIHYOTSD-UHFFFAOYSA-N 0 0 488.522 0.655 20 30 JCEDRN Cn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604434443 1067744915 /nfs/dbraw/zinc/74/49/15/1067744915.db2.gz HOULXZCCNAXHGP-UHFFFAOYSA-N 0 0 456.480 0.688 20 30 JCEDRN CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000604434446 1067744873 /nfs/dbraw/zinc/74/48/73/1067744873.db2.gz HXORDENEUAQAMS-UHFFFAOYSA-N 0 0 474.495 0.265 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1-c1ccc(F)cc1 ZINC000604434458 1067744864 /nfs/dbraw/zinc/74/48/64/1067744864.db2.gz LVUOWXOOGDASTB-UHFFFAOYSA-N 0 0 482.449 0.967 20 30 JCEDRN CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCC(C)C ZINC000604434461 1067744925 /nfs/dbraw/zinc/74/49/25/1067744925.db2.gz MMBOULKRCVBWEZ-UHFFFAOYSA-N 0 0 458.496 0.884 20 30 JCEDRN CCCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000604434472 1067744964 /nfs/dbraw/zinc/74/49/64/1067744964.db2.gz ROPFQXKXNSAKRC-UHFFFAOYSA-N 0 0 488.522 0.655 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C ZINC000604434480 1067744973 /nfs/dbraw/zinc/74/49/73/1067744973.db2.gz UYLVPQPVHKTKOU-UHFFFAOYSA-N 0 0 474.495 0.172 20 30 JCEDRN CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000604434494 1067744942 /nfs/dbraw/zinc/74/49/42/1067744942.db2.gz YOETUMMUUHOHEB-UHFFFAOYSA-N 0 0 499.549 0.276 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1Cc1ccccc1 ZINC000604434505 1067744969 /nfs/dbraw/zinc/74/49/69/1067744969.db2.gz ZUEGSGQIOGONMX-UHFFFAOYSA-N 0 0 478.486 0.887 20 30 JCEDRN C=CCNC(=O)Cn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=CC(=O)C1CC1 ZINC000604435265 1067744956 /nfs/dbraw/zinc/74/49/56/1067744956.db2.gz QVEIASXDAHWQPY-UHFFFAOYSA-N 0 0 471.491 0.480 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3c(cc2OCCOC)OCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000604442612 1067743154 /nfs/dbraw/zinc/74/31/54/1067743154.db2.gz WYYRPBFFLOAQGE-UHFFFAOYSA-N 0 0 469.519 0.631 20 30 JCEDRN COCCOc1cc2c(cc1C=c1sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c1=O)OCO2 ZINC000604443217 1067746011 /nfs/dbraw/zinc/74/60/11/1067746011.db2.gz BRQKAVCXZGBILT-UHFFFAOYSA-N 0 0 499.545 0.360 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OCCOC)OCO3)c(=O)n1C1CC1 ZINC000604443352 1067745638 /nfs/dbraw/zinc/74/56/38/1067745638.db2.gz PCFIHNROXFSWDO-UHFFFAOYSA-N 0 0 487.534 0.264 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OCCOC)OCO3)c(=O)n1CCC ZINC000604443365 1067745808 /nfs/dbraw/zinc/74/58/08/1067745808.db2.gz RFYPTABWTKAZCO-UHFFFAOYSA-N 0 0 471.535 0.879 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc([N+](=O)[O-])ccc3OC(F)F)c(=O)n2C)CC1 ZINC000604447866 1067743651 /nfs/dbraw/zinc/74/36/51/1067743651.db2.gz LPSZSLLQEPVKRJ-UHFFFAOYSA-N 0 0 493.492 0.624 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C ZINC000604447871 1067743625 /nfs/dbraw/zinc/74/36/25/1067743625.db2.gz MPZMNJVOISXOGY-UHFFFAOYSA-N 0 0 454.411 0.222 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 ZINC000604447896 1067743593 /nfs/dbraw/zinc/74/35/93/1067743593.db2.gz UPCUMULHYODBLG-CYBMUJFWSA-N 0 0 480.449 0.847 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 ZINC000604447897 1067743518 /nfs/dbraw/zinc/74/35/18/1067743518.db2.gz UPCUMULHYODBLG-ZDUSSCGKSA-N 0 0 480.449 0.847 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000604450121 1067747032 /nfs/dbraw/zinc/74/70/32/1067747032.db2.gz HQTSNGGRHPOTKF-UHFFFAOYSA-N 0 0 461.504 0.936 20 30 JCEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000604450128 1067747110 /nfs/dbraw/zinc/74/71/10/1067747110.db2.gz JDLVPHZHRJLUIH-UHFFFAOYSA-N 0 0 491.530 0.945 20 30 JCEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)cc1 ZINC000604464890 1067748022 /nfs/dbraw/zinc/74/80/22/1067748022.db2.gz SQKUUUZNYSBUBT-UHFFFAOYSA-N 0 0 491.504 0.819 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000604465887 1067748142 /nfs/dbraw/zinc/74/81/42/1067748142.db2.gz HJKYUKOENQLONQ-UHFFFAOYSA-N 0 0 489.392 0.792 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000604466103 1067748116 /nfs/dbraw/zinc/74/81/16/1067748116.db2.gz XCXBZOIYJIZTOP-UHFFFAOYSA-N 0 0 475.531 0.679 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604472828 1067746416 /nfs/dbraw/zinc/74/64/16/1067746416.db2.gz AIOVCUKEKMSJDC-UHFFFAOYSA-N 0 0 480.949 0.446 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000604472829 1067746448 /nfs/dbraw/zinc/74/64/48/1067746448.db2.gz AQQHTMCIGKUXMG-UHFFFAOYSA-N 0 0 456.568 0.813 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000604472831 1067746531 /nfs/dbraw/zinc/74/65/31/1067746531.db2.gz BTQAHLSNWUFMCS-UHFFFAOYSA-N 0 0 472.567 0.051 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604472832 1067746437 /nfs/dbraw/zinc/74/64/37/1067746437.db2.gz DVMUOWVHKJEIMV-UHFFFAOYSA-N 0 0 470.595 0.661 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000604472838 1067746478 /nfs/dbraw/zinc/74/64/78/1067746478.db2.gz GYIXLGRIJAWTJN-UHFFFAOYSA-N 0 0 486.594 0.441 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604472843 1067746516 /nfs/dbraw/zinc/74/65/16/1067746516.db2.gz INKZDKOSVTWSEG-UHFFFAOYSA-N 0 0 468.579 0.911 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604472846 1067746442 /nfs/dbraw/zinc/74/64/42/1067746442.db2.gz IYXRYYQNJSVMPD-UHFFFAOYSA-N 0 0 496.511 0.968 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)cc(C)c3)c(=O)n2CC(=O)N(C)C)CC1 ZINC000604472848 1067746463 /nfs/dbraw/zinc/74/64/63/1067746463.db2.gz JPYGWUAKWPEKMR-UHFFFAOYSA-N 0 0 481.622 0.282 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(OCC(F)(F)F)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604472849 1067746522 /nfs/dbraw/zinc/74/65/22/1067746522.db2.gz JWSNEDXCJUALQV-UHFFFAOYSA-N 0 0 494.495 0.721 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604472851 1067746524 /nfs/dbraw/zinc/74/65/24/1067746524.db2.gz KTGZFDSAOJSWIW-UHFFFAOYSA-N 0 0 484.578 0.147 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000604472852 1067746507 /nfs/dbraw/zinc/74/65/07/1067746507.db2.gz KXGMZWYATRDDGY-UHFFFAOYSA-N 0 0 456.568 0.814 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604472860 1067746512 /nfs/dbraw/zinc/74/65/12/1067746512.db2.gz NVQSVWVPCPPHLH-UHFFFAOYSA-N 0 0 478.933 0.152 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604472864 1067746491 /nfs/dbraw/zinc/74/64/91/1067746491.db2.gz OQSULKBBFQOOEV-UHFFFAOYSA-N 0 0 494.976 0.836 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604472867 1067746496 /nfs/dbraw/zinc/74/64/96/1067746496.db2.gz PPLMYCSPQHTNOJ-UHFFFAOYSA-N 0 0 450.923 0.818 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604472871 1067746459 /nfs/dbraw/zinc/74/64/59/1067746459.db2.gz QXOGXVOHQVEPSA-UHFFFAOYSA-N 0 0 456.568 0.271 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604472876 1067746424 /nfs/dbraw/zinc/74/64/24/1067746424.db2.gz SNEQQCCYGLNYRK-UHFFFAOYSA-N 0 0 462.934 0.916 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604472877 1067746501 /nfs/dbraw/zinc/74/65/01/1067746501.db2.gz UFXQOEQCDVUJPK-UHFFFAOYSA-N 0 0 454.552 0.567 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604472885 1067746454 /nfs/dbraw/zinc/74/64/54/1067746454.db2.gz VTIJOHGSQVKJNP-UHFFFAOYSA-N 0 0 450.923 0.820 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604472888 1067746534 /nfs/dbraw/zinc/74/65/34/1067746534.db2.gz VYKLQFVPKVGXMA-UHFFFAOYSA-N 0 0 466.922 0.056 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604472895 1067746484 /nfs/dbraw/zinc/74/64/84/1067746484.db2.gz XXKLMGJHEJZTOE-UHFFFAOYSA-N 0 0 496.511 0.967 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000604473386 1067746188 /nfs/dbraw/zinc/74/61/88/1067746188.db2.gz MSKLMCCQNYAJGT-UHFFFAOYSA-N 0 0 459.513 0.229 20 30 JCEDRN COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(OC)n1 ZINC000604475850 1067746737 /nfs/dbraw/zinc/74/67/37/1067746737.db2.gz JZJYLMDTUNAAEW-UHFFFAOYSA-N 0 0 459.484 0.442 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000604484749 1067747170 /nfs/dbraw/zinc/74/71/70/1067747170.db2.gz RGDFCFNPBJOVJY-UHFFFAOYSA-N 0 0 484.506 0.648 20 30 JCEDRN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)CC1 ZINC000604486145 1069596440 /nfs/dbraw/zinc/59/64/40/1069596440.db2.gz BKCJTFCLKXCMBS-UHFFFAOYSA-N 0 0 452.519 0.329 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000604498150 1067748812 /nfs/dbraw/zinc/74/88/12/1067748812.db2.gz FVFVNMILTLXQCE-KRWDZBQOSA-N 0 0 468.514 0.636 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000604498151 1067748908 /nfs/dbraw/zinc/74/89/08/1067748908.db2.gz FVFVNMILTLXQCE-QGZVFWFLSA-N 0 0 468.514 0.636 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1C ZINC000604499086 1067748865 /nfs/dbraw/zinc/74/88/65/1067748865.db2.gz CPOSBPKPDNHXCV-UHFFFAOYSA-N 0 0 499.589 0.895 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)ccc1SC ZINC000604499164 1067748870 /nfs/dbraw/zinc/74/88/70/1067748870.db2.gz LRBDNAQIHTVAPS-UHFFFAOYSA-N 0 0 472.592 0.510 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)ccc1SC ZINC000604499168 1067748858 /nfs/dbraw/zinc/74/88/58/1067748858.db2.gz MLIUCONOSPJMHZ-UHFFFAOYSA-N 0 0 474.608 0.756 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CC(=O)N(C)C ZINC000604499211 1067748843 /nfs/dbraw/zinc/74/88/43/1067748843.db2.gz QSLNRELHQBSRAJ-UHFFFAOYSA-N 0 0 474.608 0.758 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)ccc1SC ZINC000604499263 1067748835 /nfs/dbraw/zinc/74/88/35/1067748835.db2.gz XEUPYPWJQKKYIN-UHFFFAOYSA-N 0 0 486.619 0.854 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1CC(C)C ZINC000604502256 1067749164 /nfs/dbraw/zinc/74/91/64/1067749164.db2.gz AROVYJIAFXKDAW-UHFFFAOYSA-N 0 0 457.552 0.984 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000604502263 1067748942 /nfs/dbraw/zinc/74/89/42/1067748942.db2.gz FJCLFASWCOSMCA-UHFFFAOYSA-N 0 0 474.608 0.222 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCCC(=O)OC ZINC000604505919 1067749248 /nfs/dbraw/zinc/74/92/48/1067749248.db2.gz GBQNFWXOXKIGET-UHFFFAOYSA-N 0 0 465.478 0.407 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604505969 1067749116 /nfs/dbraw/zinc/74/91/16/1067749116.db2.gz QNUDBKZEEPWWPY-UHFFFAOYSA-N 0 0 477.489 0.503 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NC(C)C ZINC000604506028 1067749151 /nfs/dbraw/zinc/74/91/51/1067749151.db2.gz GINQKDUUFVPMRD-UHFFFAOYSA-N 0 0 458.496 0.799 20 30 JCEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000604506721 1067749347 /nfs/dbraw/zinc/74/93/47/1067749347.db2.gz MOEXRWKPWGXSDP-UHFFFAOYSA-N 0 0 450.455 0.118 20 30 JCEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000604506891 1067749138 /nfs/dbraw/zinc/74/91/38/1067749138.db2.gz QIXVHVMOPNMOCN-UHFFFAOYSA-N 0 0 499.549 0.292 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000604508418 1067749647 /nfs/dbraw/zinc/74/96/47/1067749647.db2.gz DTHZABNPMYNXMC-UHFFFAOYSA-N 0 0 464.494 0.627 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000604508421 1067749143 /nfs/dbraw/zinc/74/91/43/1067749143.db2.gz FVSCKIITHRRAKE-UHFFFAOYSA-N 0 0 494.520 0.255 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000604508423 1067749718 /nfs/dbraw/zinc/74/97/18/1067749718.db2.gz HIWBHQZDHGVYDU-UHFFFAOYSA-N 0 0 476.505 0.725 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604508426 1067749701 /nfs/dbraw/zinc/74/97/01/1067749701.db2.gz KESMMVIUBRSLAU-UHFFFAOYSA-N 0 0 462.478 0.381 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000604508434 1067749690 /nfs/dbraw/zinc/74/96/90/1067749690.db2.gz WPOJNYINRJAFGK-UHFFFAOYSA-N 0 0 464.494 0.629 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000604508435 1067749156 /nfs/dbraw/zinc/74/91/56/1067749156.db2.gz ZVJINMUOVOSALK-UHFFFAOYSA-N 0 0 478.521 0.875 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCN1CCOCC1 ZINC000604508517 1067749495 /nfs/dbraw/zinc/74/94/95/1067749495.db2.gz VSYLOIBDRQUFIW-UHFFFAOYSA-N 0 0 464.494 0.092 20 30 JCEDRN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000604513926 1067750123 /nfs/dbraw/zinc/75/01/23/1067750123.db2.gz ZCOMFHXOBYVJPW-UHFFFAOYSA-N 0 0 451.530 0.843 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000604514707 1067749967 /nfs/dbraw/zinc/74/99/67/1067749967.db2.gz PDBSFCONWIFKJY-UHFFFAOYSA-N 0 0 456.524 0.952 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604523191 1067748571 /nfs/dbraw/zinc/74/85/71/1067748571.db2.gz CPVLUOBCWZTZFJ-UHFFFAOYSA-N 0 0 453.520 0.657 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)C1CCC1 ZINC000604523206 1067748562 /nfs/dbraw/zinc/74/85/62/1067748562.db2.gz WYKJBKMHYREWFH-UHFFFAOYSA-N 0 0 498.517 0.550 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(C[C@@H]2CCCO2)c1=O ZINC000604531447 1067750449 /nfs/dbraw/zinc/75/04/49/1067750449.db2.gz MPUWGOALWAJXJJ-HNNXBMFYSA-N 0 0 458.496 0.645 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(C[C@H]2CCCO2)c1=O ZINC000604531448 1067750494 /nfs/dbraw/zinc/75/04/94/1067750494.db2.gz MPUWGOALWAJXJJ-OAHLLOKOSA-N 0 0 458.496 0.645 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O ZINC000604533088 1067750885 /nfs/dbraw/zinc/75/08/85/1067750885.db2.gz AGZMVNBEHZAUOS-UHFFFAOYSA-N 0 0 485.522 0.087 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CC(=O)N(C)C ZINC000604533089 1067750687 /nfs/dbraw/zinc/75/06/87/1067750687.db2.gz BYEBZQATAUWYKN-UHFFFAOYSA-N 0 0 487.538 0.334 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O ZINC000604533093 1067750880 /nfs/dbraw/zinc/75/08/80/1067750880.db2.gz GFQOTYKIWMHEKB-UHFFFAOYSA-N 0 0 499.549 0.430 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O ZINC000604533101 1067750833 /nfs/dbraw/zinc/75/08/33/1067750833.db2.gz KTVWJFUPMXOFBT-UHFFFAOYSA-N 0 0 487.538 0.333 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000604533341 1067750460 /nfs/dbraw/zinc/75/04/60/1067750460.db2.gz AMIRPJZBSUOLEM-IBGZPJMESA-N 0 0 462.554 0.936 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000604533342 1067750865 /nfs/dbraw/zinc/75/08/65/1067750865.db2.gz AMIRPJZBSUOLEM-LJQANCHMSA-N 0 0 462.554 0.936 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000604535491 1067750843 /nfs/dbraw/zinc/75/08/43/1067750843.db2.gz PCKLTUPUECVJLV-UHFFFAOYSA-N 0 0 496.593 0.923 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 ZINC000604537020 1067750659 /nfs/dbraw/zinc/75/06/59/1067750659.db2.gz GICUXWPLJJSRGB-UHFFFAOYSA-N 0 0 492.581 0.274 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 ZINC000604537059 1067750799 /nfs/dbraw/zinc/75/07/99/1067750799.db2.gz MMKWVYBZFPEEKL-UHFFFAOYSA-N 0 0 474.591 0.135 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCS3(=O)=O)CC2)cc1 ZINC000608778620 1067755364 /nfs/dbraw/zinc/75/53/64/1067755364.db2.gz NIQUGQPWTQTSNS-UHFFFAOYSA-N 0 0 454.574 0.501 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(=O)N(C)C ZINC000608778776 1067755790 /nfs/dbraw/zinc/75/57/90/1067755790.db2.gz GDFWBMMDZMEKER-UHFFFAOYSA-N 0 0 474.558 0.491 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOCC ZINC000608778777 1067755781 /nfs/dbraw/zinc/75/57/81/1067755781.db2.gz GPNRPSJPRKWEQF-UHFFFAOYSA-N 0 0 488.522 0.655 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC(C)C ZINC000608778781 1067755859 /nfs/dbraw/zinc/75/58/59/1067755859.db2.gz LOLAQFQOXGZLHG-UHFFFAOYSA-N 0 0 488.522 0.653 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000608778783 1067693269 /nfs/dbraw/zinc/69/32/69/1067693269.db2.gz NSBYVXRJEBZMOQ-UHFFFAOYSA-N 0 0 486.506 0.407 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3C)c(=O)n2CC(=O)N(C)C)CC1 ZINC000608778789 1067755677 /nfs/dbraw/zinc/75/56/77/1067755677.db2.gz WOXUPMYJNOWKQX-UHFFFAOYSA-N 0 0 485.585 0.113 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(=O)N(C)C ZINC000608778791 1067755841 /nfs/dbraw/zinc/75/58/41/1067755841.db2.gz XPVBWTCLTHQJOG-UHFFFAOYSA-N 0 0 460.531 0.101 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c2=O)cc1 ZINC000608788406 1067757269 /nfs/dbraw/zinc/75/72/69/1067757269.db2.gz IMBJYPSKCHWAAH-UHFFFAOYSA-N 0 0 455.536 0.903 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCc1ccccn1 ZINC000608788426 1067757236 /nfs/dbraw/zinc/75/72/36/1067757236.db2.gz XAWDFPKRIZTQIE-UHFFFAOYSA-N 0 0 493.501 0.476 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)sc2=C(C#N)C(=O)NC)cn1 ZINC000608788541 1067757285 /nfs/dbraw/zinc/75/72/85/1067757285.db2.gz PUTPQLISFGOCMV-UHFFFAOYSA-N 0 0 482.478 0.044 20 30 JCEDRN N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000608793617 1067757639 /nfs/dbraw/zinc/75/76/39/1067757639.db2.gz LSUNVRGEKPETCZ-CTNGQTDRSA-N 0 0 499.549 0.935 20 30 JCEDRN N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000608793618 1067757566 /nfs/dbraw/zinc/75/75/66/1067757566.db2.gz LSUNVRGEKPETCZ-FPOVZHCZSA-N 0 0 499.549 0.935 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)c2)CC1 ZINC000608795883 1067757906 /nfs/dbraw/zinc/75/79/06/1067757906.db2.gz DASGLHPTAIIBQM-UHFFFAOYSA-N 0 0 496.593 0.782 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)cc2)CC1 ZINC000608796118 1067757958 /nfs/dbraw/zinc/75/79/58/1067757958.db2.gz DJTQMNIEYJZKMI-UHFFFAOYSA-N 0 0 496.593 0.782 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000608819113 1067760144 /nfs/dbraw/zinc/76/01/44/1067760144.db2.gz WXCNPEZCRQKPEM-UHFFFAOYSA-N 0 0 461.530 0.796 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cc(OC)ccc1OC ZINC000608826495 1067760125 /nfs/dbraw/zinc/76/01/25/1067760125.db2.gz ACIAGDMLOCYPLD-UHFFFAOYSA-N 0 0 499.570 0.569 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608826562 1067760185 /nfs/dbraw/zinc/76/01/85/1067760185.db2.gz DMNKNHYMFYEILM-UHFFFAOYSA-N 0 0 452.467 0.395 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC(C)C)c1 ZINC000608826621 1067760260 /nfs/dbraw/zinc/76/02/60/1067760260.db2.gz FZMORKOPJRJSAG-UHFFFAOYSA-N 0 0 453.524 0.677 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1cc(OC)ccc1OC ZINC000608826656 1067760238 /nfs/dbraw/zinc/76/02/38/1067760238.db2.gz GQMBMMQGJHNQGD-UHFFFAOYSA-N 0 0 455.492 0.775 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cc(OC)ccc1OC ZINC000608826667 1067760277 /nfs/dbraw/zinc/76/02/77/1067760277.db2.gz HGYRZBXPQDGYFP-UHFFFAOYSA-N 0 0 472.548 0.638 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608826679 1067760164 /nfs/dbraw/zinc/76/01/64/1067760164.db2.gz HTLSTXIKQFCUCQ-UHFFFAOYSA-N 0 0 496.520 0.411 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC2CC2)c1 ZINC000608826693 1067760171 /nfs/dbraw/zinc/76/01/71/1067760171.db2.gz JDKIRQPTZCPYFE-UHFFFAOYSA-N 0 0 451.508 0.431 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000608826765 1067760118 /nfs/dbraw/zinc/76/01/18/1067760118.db2.gz MQMOGDNIXMABFX-AWEZNQCLSA-N 0 0 483.550 0.304 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000608826766 1067760219 /nfs/dbraw/zinc/76/02/19/1067760219.db2.gz MQMOGDNIXMABFX-CQSZACIVSA-N 0 0 483.550 0.304 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000608826894 1067760612 /nfs/dbraw/zinc/76/06/12/1067760612.db2.gz RBUQQIKTNMMLMF-UHFFFAOYSA-N 0 0 497.577 0.696 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000608826910 1067760537 /nfs/dbraw/zinc/76/05/37/1067760537.db2.gz SJHNZUSNKLDKFK-UHFFFAOYSA-N 0 0 484.559 0.735 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608826924 1067760481 /nfs/dbraw/zinc/76/04/81/1067760481.db2.gz UKSUWPLFXDJRSQ-UHFFFAOYSA-N 0 0 488.978 0.978 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cc(OC)ccc1OC ZINC000608827240 1067760578 /nfs/dbraw/zinc/76/05/78/1067760578.db2.gz HXYKONJYPLNNNG-UHFFFAOYSA-N 0 0 466.519 0.577 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000608827257 1067760558 /nfs/dbraw/zinc/76/05/58/1067760558.db2.gz IWQVOAIAIBTLNV-UHFFFAOYSA-N 0 0 478.530 0.673 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000608827297 1067760500 /nfs/dbraw/zinc/76/05/00/1067760500.db2.gz KWDSMJUJZGVXSM-UHFFFAOYSA-N 0 0 478.530 0.673 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC ZINC000608827315 1067760621 /nfs/dbraw/zinc/76/06/21/1067760621.db2.gz MEFKRBCHTWBBRQ-HNNXBMFYSA-N 0 0 480.546 0.965 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC ZINC000608827316 1067760471 /nfs/dbraw/zinc/76/04/71/1067760471.db2.gz MEFKRBCHTWBBRQ-OAHLLOKOSA-N 0 0 480.546 0.965 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000608827428 1067760594 /nfs/dbraw/zinc/76/05/94/1067760594.db2.gz BLIPFNVQLXMZSK-UHFFFAOYSA-N 0 0 468.926 0.423 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C#N)c(Cl)c2)c1=O ZINC000608827543 1067760528 /nfs/dbraw/zinc/76/05/28/1067760528.db2.gz HRBJGJDPHYBKDF-UHFFFAOYSA-N 0 0 480.937 0.519 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C#N)c(Cl)c2)c1=O ZINC000608827661 1067760635 /nfs/dbraw/zinc/76/06/35/1067760635.db2.gz NHTWOGSHNWBPDD-UHFFFAOYSA-N 0 0 450.911 0.939 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608827936 1067762144 /nfs/dbraw/zinc/76/21/44/1067762144.db2.gz ADUBZLKTJIVQHF-UHFFFAOYSA-N 0 0 492.557 0.662 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608827947 1067762150 /nfs/dbraw/zinc/76/21/50/1067762150.db2.gz AJTKOCNHMSPABW-UHFFFAOYSA-N 0 0 490.541 0.797 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 ZINC000608827980 1067762171 /nfs/dbraw/zinc/76/21/71/1067762171.db2.gz BDNFYLKOBZRLGA-UHFFFAOYSA-N 0 0 474.542 0.668 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608827988 1067762238 /nfs/dbraw/zinc/76/22/38/1067762238.db2.gz BPRURBZWCCFXIQ-AWEZNQCLSA-N 0 0 463.519 0.047 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608827990 1067762251 /nfs/dbraw/zinc/76/22/51/1067762251.db2.gz BPRURBZWCCFXIQ-CQSZACIVSA-N 0 0 463.519 0.047 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000608827996 1067762232 /nfs/dbraw/zinc/76/22/32/1067762232.db2.gz BRZOUSJUAUGKDQ-UHFFFAOYSA-N 0 0 488.569 0.922 20 30 JCEDRN CN(CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000608828003 1067762167 /nfs/dbraw/zinc/76/21/67/1067762167.db2.gz RFYGDPOGTONWIE-UHFFFAOYSA-N 0 0 462.579 0.951 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 ZINC000608828010 1067762188 /nfs/dbraw/zinc/76/21/88/1067762188.db2.gz BZNWLZZZHVQLJI-UHFFFAOYSA-N 0 0 451.533 0.545 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828020 1067762549 /nfs/dbraw/zinc/76/25/49/1067762549.db2.gz CGYBYPMBPJSGNF-INIZCTEOSA-N 0 0 476.558 0.961 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828021 1067762444 /nfs/dbraw/zinc/76/24/44/1067762444.db2.gz CGYBYPMBPJSGNF-MRXNPFEDSA-N 0 0 476.558 0.961 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828026 1067762453 /nfs/dbraw/zinc/76/24/53/1067762453.db2.gz CNCJXXJKPHTGIM-UHFFFAOYSA-N 0 0 450.545 0.969 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828046 1067762209 /nfs/dbraw/zinc/76/22/09/1067762209.db2.gz CYILDVNAJFIWDE-UHFFFAOYSA-N 0 0 476.558 0.880 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1F ZINC000608828052 1067762221 /nfs/dbraw/zinc/76/22/21/1067762221.db2.gz HVUBXLJVCPPVLM-UHFFFAOYSA-N 0 0 469.498 0.142 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 ZINC000608828060 1067762196 /nfs/dbraw/zinc/76/21/96/1067762196.db2.gz SWWHWEGOVLZDHF-UHFFFAOYSA-N 0 0 462.579 0.975 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828065 1067762228 /nfs/dbraw/zinc/76/22/28/1067762228.db2.gz DEVPJMCPPQOESV-UHFFFAOYSA-N 0 0 477.502 0.935 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828093 1067762256 /nfs/dbraw/zinc/76/22/56/1067762256.db2.gz FMMNNWINDWARHS-UHFFFAOYSA-N 0 0 468.560 0.715 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000608828094 1067762260 /nfs/dbraw/zinc/76/22/60/1067762260.db2.gz FQYXAPRLMJBHKF-UHFFFAOYSA-N 0 0 491.573 0.567 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828145 1067762200 /nfs/dbraw/zinc/76/22/00/1067762200.db2.gz HTBAEZOTBHGBRG-UHFFFAOYSA-N 0 0 451.533 0.568 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 ZINC000608828155 1067762157 /nfs/dbraw/zinc/76/21/57/1067762157.db2.gz IBYSBCOUAHIRHT-UHFFFAOYSA-N 0 0 453.549 0.791 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828164 1067762217 /nfs/dbraw/zinc/76/22/17/1067762217.db2.gz IUPKIRQRRIOEQM-UHFFFAOYSA-N 0 0 498.511 0.932 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828179 1067762244 /nfs/dbraw/zinc/76/22/44/1067762244.db2.gz JCEAYMOSZZKSMV-KBXCAEBGSA-N 0 0 492.557 0.980 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828183 1067761902 /nfs/dbraw/zinc/76/19/02/1067761902.db2.gz JCEAYMOSZZKSMV-KDOFPFPSSA-N 0 0 492.557 0.980 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000608828184 1067761825 /nfs/dbraw/zinc/76/18/25/1067761825.db2.gz KHSFXKMVNRMQSA-UHFFFAOYSA-N 0 0 454.483 0.707 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828185 1067761866 /nfs/dbraw/zinc/76/18/66/1067761866.db2.gz JCEAYMOSZZKSMV-KSSFIOAISA-N 0 0 492.557 0.980 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828186 1067761789 /nfs/dbraw/zinc/76/17/89/1067761789.db2.gz JCEAYMOSZZKSMV-RDTXWAMCSA-N 0 0 492.557 0.980 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828194 1067761800 /nfs/dbraw/zinc/76/18/00/1067761800.db2.gz JHVFUMWFBCGJIB-UHFFFAOYSA-N 0 0 463.519 0.049 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828207 1067761860 /nfs/dbraw/zinc/76/18/60/1067761860.db2.gz KARVHOWFWYVJGM-UHFFFAOYSA-N 0 0 477.546 0.439 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000608828249 1067761844 /nfs/dbraw/zinc/76/18/44/1067761844.db2.gz OQXJRVOTTUNSOY-CYBMUJFWSA-N 0 0 471.514 0.434 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000608828251 1067761838 /nfs/dbraw/zinc/76/18/38/1067761838.db2.gz OQXJRVOTTUNSOY-ZDUSSCGKSA-N 0 0 471.514 0.434 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828253 1067761855 /nfs/dbraw/zinc/76/18/55/1067761855.db2.gz KJGWMJKCWKURNZ-UHFFFAOYSA-N 0 0 490.541 0.820 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828262 1067761895 /nfs/dbraw/zinc/76/18/95/1067761895.db2.gz LLONQJBDLPAOCM-UHFFFAOYSA-N 0 0 463.519 0.049 20 30 JCEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 ZINC000608828274 1067761878 /nfs/dbraw/zinc/76/18/78/1067761878.db2.gz MADNPOMOFJECQW-UHFFFAOYSA-N 0 0 465.560 0.888 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828275 1067761793 /nfs/dbraw/zinc/76/17/93/1067761793.db2.gz MEYAGVCFYCIAMW-UHFFFAOYSA-N 0 0 475.486 0.688 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828285 1067761884 /nfs/dbraw/zinc/76/18/84/1067761884.db2.gz NBYWZWSRFWQPHG-UHFFFAOYSA-N 0 0 470.457 0.848 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828297 1067761832 /nfs/dbraw/zinc/76/18/32/1067761832.db2.gz NLLXBSWICXUYHE-CYBMUJFWSA-N 0 0 468.560 0.714 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828299 1067761849 /nfs/dbraw/zinc/76/18/49/1067761849.db2.gz NLLXBSWICXUYHE-ZDUSSCGKSA-N 0 0 468.560 0.714 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000608828306 1067762176 /nfs/dbraw/zinc/76/21/76/1067762176.db2.gz NRDMYECKKAOGSY-UHFFFAOYSA-N 0 0 488.573 0.060 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)oc1C ZINC000608828313 1067762161 /nfs/dbraw/zinc/76/21/61/1067762161.db2.gz NSSRNPOHTRBPOD-UHFFFAOYSA-N 0 0 492.513 0.468 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 ZINC000608828329 1067761574 /nfs/dbraw/zinc/76/15/74/1067761574.db2.gz OBLSFMBEPTVDIX-UHFFFAOYSA-N 0 0 488.569 0.977 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828334 1067761539 /nfs/dbraw/zinc/76/15/39/1067761539.db2.gz OXCQLVMYPWNNAK-UHFFFAOYSA-N 0 0 462.531 0.572 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828341 1067761524 /nfs/dbraw/zinc/76/15/24/1067761524.db2.gz QOKXCWGMXNYDIG-UHFFFAOYSA-N 0 0 482.949 0.917 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828346 1067761513 /nfs/dbraw/zinc/76/15/13/1067761513.db2.gz QRZUQVYORRIRNH-UHFFFAOYSA-N 0 0 499.552 0.812 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c(C)c1 ZINC000608828355 1067712352 /nfs/dbraw/zinc/71/23/52/1067712352.db2.gz QXJWXEZIBQAODP-UHFFFAOYSA-N 0 0 488.569 0.977 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828364 1067761509 /nfs/dbraw/zinc/76/15/09/1067761509.db2.gz REHQDFZSMRHACZ-UHFFFAOYSA-N 0 0 488.525 0.590 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828391 1067761564 /nfs/dbraw/zinc/76/15/64/1067761564.db2.gz SDCMYEBNTOIYSZ-UHFFFAOYSA-N 0 0 477.502 0.934 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000608828395 1067761594 /nfs/dbraw/zinc/76/15/94/1067761594.db2.gz SETXHPUZNVINGZ-UHFFFAOYSA-N 0 0 490.541 0.812 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828397 1067761490 /nfs/dbraw/zinc/76/14/90/1067761490.db2.gz SFRNHUHHOIIKKM-UHFFFAOYSA-N 0 0 492.557 0.581 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 ZINC000608828400 1067761544 /nfs/dbraw/zinc/76/15/44/1067761544.db2.gz SHICXDZWQGEOSJ-UHFFFAOYSA-N 0 0 460.515 0.788 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828415 1067761480 /nfs/dbraw/zinc/76/14/80/1067761480.db2.gz SMPHNRQYJQQMTO-UHFFFAOYSA-N 0 0 490.541 0.798 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828417 1067761580 /nfs/dbraw/zinc/76/15/80/1067761580.db2.gz SMRUSTQNMDBSFF-INIZCTEOSA-N 0 0 476.558 0.961 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828418 1067761557 /nfs/dbraw/zinc/76/15/57/1067761557.db2.gz SMRUSTQNMDBSFF-MRXNPFEDSA-N 0 0 476.558 0.961 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828427 1067761588 /nfs/dbraw/zinc/76/15/88/1067761588.db2.gz SWCUQFMGZUZMJE-UHFFFAOYSA-N 0 0 476.558 0.962 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000608828429 1067712396 /nfs/dbraw/zinc/71/23/96/1067712396.db2.gz SWOIWDNIATUVSD-UHFFFAOYSA-N 0 0 493.614 0.727 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828439 1067761495 /nfs/dbraw/zinc/76/14/95/1067761495.db2.gz TYHYGSNGOZHDAJ-AWEZNQCLSA-N 0 0 480.521 0.791 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828441 1067761518 /nfs/dbraw/zinc/76/15/18/1067761518.db2.gz TYHYGSNGOZHDAJ-CQSZACIVSA-N 0 0 480.521 0.791 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(OC)c(F)c2)CC1 ZINC000608828443 1067761528 /nfs/dbraw/zinc/76/15/28/1067761528.db2.gz ZYYCUGVZXSVWEG-UHFFFAOYSA-N 0 0 496.568 0.447 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828448 1067761500 /nfs/dbraw/zinc/76/15/00/1067761500.db2.gz UDRLLQZEEANYOL-CYBMUJFWSA-N 0 0 468.560 0.714 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828449 1067761547 /nfs/dbraw/zinc/76/15/47/1067761547.db2.gz UDRLLQZEEANYOL-ZDUSSCGKSA-N 0 0 468.560 0.714 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 ZINC000608828457 1067761872 /nfs/dbraw/zinc/76/18/72/1067761872.db2.gz UZVKFJGXVAFDCR-UHFFFAOYSA-N 0 0 480.571 0.730 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000608828469 1067761817 /nfs/dbraw/zinc/76/18/17/1067761817.db2.gz VQIRMSKHXPOGEH-UHFFFAOYSA-N 0 0 474.542 0.668 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)c(OC)c1 ZINC000608828470 1067761827 /nfs/dbraw/zinc/76/18/27/1067761827.db2.gz VXXJPNWXJDYECD-UHFFFAOYSA-N 0 0 490.541 0.797 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828472 1067761813 /nfs/dbraw/zinc/76/18/13/1067761813.db2.gz WDOQOIKEWKDVQY-UHFFFAOYSA-N 0 0 475.486 0.711 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828474 1067761806 /nfs/dbraw/zinc/76/18/06/1067761806.db2.gz WFONEPMSKNCFDN-UHFFFAOYSA-N 0 0 490.541 0.820 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828481 1067760939 /nfs/dbraw/zinc/76/09/39/1067760939.db2.gz WWMSSDOBZJCWSS-CYBMUJFWSA-N 0 0 498.511 0.930 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828482 1067760955 /nfs/dbraw/zinc/76/09/55/1067760955.db2.gz WWMSSDOBZJCWSS-ZDUSSCGKSA-N 0 0 498.511 0.930 20 30 JCEDRN N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828485 1067760988 /nfs/dbraw/zinc/76/09/88/1067760988.db2.gz XKZNWYULFRHQJH-UHFFFAOYSA-N 0 0 471.498 0.805 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828486 1067760922 /nfs/dbraw/zinc/76/09/22/1067760922.db2.gz XLEDIUUDUOWDSW-UHFFFAOYSA-N 0 0 496.495 0.638 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828487 1067760917 /nfs/dbraw/zinc/76/09/17/1067760917.db2.gz XMKJIZLMTNLVDL-UHFFFAOYSA-N 0 0 452.492 0.165 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000608828488 1067760951 /nfs/dbraw/zinc/76/09/51/1067760951.db2.gz XMQHZQGVUPUNDT-UHFFFAOYSA-N 0 0 490.541 0.368 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000608828490 1067760864 /nfs/dbraw/zinc/76/08/64/1067760864.db2.gz XNXPQTGNAWAVCZ-UHFFFAOYSA-N 0 0 493.614 0.727 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828497 1067761199 /nfs/dbraw/zinc/76/11/99/1067761199.db2.gz YBDRMRPCDXEHGY-UHFFFAOYSA-N 0 0 478.530 0.272 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828502 1067761221 /nfs/dbraw/zinc/76/12/21/1067761221.db2.gz YQGKIVSLRDIPPO-HNNXBMFYSA-N 0 0 462.531 0.652 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828503 1067761208 /nfs/dbraw/zinc/76/12/08/1067761208.db2.gz YQGKIVSLRDIPPO-OAHLLOKOSA-N 0 0 462.531 0.652 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828504 1067761237 /nfs/dbraw/zinc/76/12/37/1067761237.db2.gz ZBHCEKROECNUQE-UHFFFAOYSA-N 0 0 490.541 0.820 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828513 1067761249 /nfs/dbraw/zinc/76/12/49/1067761249.db2.gz ZPKQEITXSSXSKK-HNNXBMFYSA-N 0 0 492.557 0.661 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828514 1067761192 /nfs/dbraw/zinc/76/11/92/1067761192.db2.gz ZPKQEITXSSXSKK-OAHLLOKOSA-N 0 0 492.557 0.661 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828515 1067761211 /nfs/dbraw/zinc/76/12/11/1067761211.db2.gz ZQCSRVCDAWUUJX-UHFFFAOYSA-N 0 0 490.541 0.814 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 ZINC000608828519 1067761224 /nfs/dbraw/zinc/76/12/24/1067761224.db2.gz ZSQXVJGABYIHIW-UHFFFAOYSA-N 0 0 490.541 0.368 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828542 1067761246 /nfs/dbraw/zinc/76/12/46/1067761246.db2.gz AFNARTFHNOSUAJ-UHFFFAOYSA-N 0 0 465.560 0.822 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)cs1 ZINC000608828547 1067761228 /nfs/dbraw/zinc/76/12/28/1067761228.db2.gz AZGUPNXJSXCFRE-UHFFFAOYSA-N 0 0 497.602 0.673 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828551 1067761215 /nfs/dbraw/zinc/76/12/15/1067761215.db2.gz BEJDMMMILMBAIB-UHFFFAOYSA-N 0 0 483.575 0.028 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828554 1067761204 /nfs/dbraw/zinc/76/12/04/1067761204.db2.gz BIMSHOODWOSLTO-UHFFFAOYSA-N 0 0 488.616 0.695 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000608828560 1067761180 /nfs/dbraw/zinc/76/11/80/1067761180.db2.gz BMIFAXYBAOVGCN-UHFFFAOYSA-N 0 0 462.535 0.293 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828566 1067761186 /nfs/dbraw/zinc/76/11/86/1067761186.db2.gz BUMYESDDUCUROM-UHFFFAOYSA-N 0 0 474.498 0.532 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828567 1067761231 /nfs/dbraw/zinc/76/12/31/1067761231.db2.gz BXYRLZICTPOBDG-AWEZNQCLSA-N 0 0 480.521 0.791 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828569 1067761239 /nfs/dbraw/zinc/76/12/39/1067761239.db2.gz BXYRLZICTPOBDG-CQSZACIVSA-N 0 0 480.521 0.791 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828575 1067761189 /nfs/dbraw/zinc/76/11/89/1067761189.db2.gz CFTPGBOTGNGPOP-UHFFFAOYSA-N 0 0 490.541 0.198 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828577 1067761253 /nfs/dbraw/zinc/76/12/53/1067761253.db2.gz CGAWRGIJSSDIEC-UHFFFAOYSA-N 0 0 480.571 0.411 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828583 1067761203 /nfs/dbraw/zinc/76/12/03/1067761203.db2.gz CKOIORNQSFHHQQ-UHFFFAOYSA-N 0 0 496.614 0.943 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828598 1067761258 /nfs/dbraw/zinc/76/12/58/1067761258.db2.gz CPBUUUUUKNNWDC-UHFFFAOYSA-N 0 0 453.549 0.730 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828599 1067761569 /nfs/dbraw/zinc/76/15/69/1067761569.db2.gz CPORQIBEWNFDIS-UHFFFAOYSA-N 0 0 498.561 0.526 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828601 1067761553 /nfs/dbraw/zinc/76/15/53/1067761553.db2.gz CQRQHDMBLBBHMP-UHFFFAOYSA-N 0 0 482.587 0.471 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828621 1067760520 /nfs/dbraw/zinc/76/05/20/1067760520.db2.gz DNDSDYOZEXKUJM-INIZCTEOSA-N 0 0 476.558 0.961 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828623 1067760629 /nfs/dbraw/zinc/76/06/29/1067760629.db2.gz DNDSDYOZEXKUJM-MRXNPFEDSA-N 0 0 476.558 0.961 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828627 1067760607 /nfs/dbraw/zinc/76/06/07/1067760607.db2.gz DRKPJLSSWIBZBP-UHFFFAOYSA-N 0 0 468.560 0.163 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828642 1067760568 /nfs/dbraw/zinc/76/05/68/1067760568.db2.gz FGGJMQLPKSYMEK-UHFFFAOYSA-N 0 0 489.604 0.091 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828658 1067760490 /nfs/dbraw/zinc/76/04/90/1067760490.db2.gz FTPCYNBAFXVRCQ-UHFFFAOYSA-N 0 0 480.571 0.387 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828662 1067760892 /nfs/dbraw/zinc/76/08/92/1067760892.db2.gz FZRLAZIWRLPKAA-UHFFFAOYSA-N 0 0 470.457 0.848 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828665 1067760928 /nfs/dbraw/zinc/76/09/28/1067760928.db2.gz GCCHGYJIHQGWBG-CYBMUJFWSA-N 0 0 498.511 0.930 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828667 1067760897 /nfs/dbraw/zinc/76/08/97/1067760897.db2.gz GCCHGYJIHQGWBG-ZDUSSCGKSA-N 0 0 498.511 0.930 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 ZINC000608828687 1067760911 /nfs/dbraw/zinc/76/09/11/1067760911.db2.gz GSVVYZIOLIMDDY-UHFFFAOYSA-N 0 0 494.598 0.696 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 ZINC000608828702 1067760960 /nfs/dbraw/zinc/76/09/60/1067760960.db2.gz ISJMHUVVLXNVLU-UHFFFAOYSA-N 0 0 496.614 0.942 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828703 1067760997 /nfs/dbraw/zinc/76/09/97/1067760997.db2.gz IUKWMLPWVPMUQK-UHFFFAOYSA-N 0 0 460.515 0.812 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 ZINC000608828708 1067760945 /nfs/dbraw/zinc/76/09/45/1067760945.db2.gz JAVYUJTXOAYKIB-UHFFFAOYSA-N 0 0 482.587 0.417 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828713 1067760981 /nfs/dbraw/zinc/76/09/81/1067760981.db2.gz JEFZYGKHDTXDAC-UHFFFAOYSA-N 0 0 474.542 0.962 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828715 1067760935 /nfs/dbraw/zinc/76/09/35/1067760935.db2.gz JEYVEJXCGBITPP-HNNXBMFYSA-N 0 0 492.557 0.661 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828716 1067760880 /nfs/dbraw/zinc/76/08/80/1067760880.db2.gz JEYVEJXCGBITPP-OAHLLOKOSA-N 0 0 492.557 0.661 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000608828717 1067760976 /nfs/dbraw/zinc/76/09/76/1067760976.db2.gz JFLITVKCRJISCX-UHFFFAOYSA-N 0 0 480.571 0.730 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828719 1067760904 /nfs/dbraw/zinc/76/09/04/1067760904.db2.gz JHMQLZUTLFUJSN-UHFFFAOYSA-N 0 0 498.511 0.932 20 30 JCEDRN CC(C)Oc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000608828764 1067760967 /nfs/dbraw/zinc/76/09/67/1067760967.db2.gz NCDTYAVJURTKHC-UHFFFAOYSA-N 0 0 479.562 0.782 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828794 1067760642 /nfs/dbraw/zinc/76/06/42/1067760642.db2.gz LKAQVKBWMNNWLC-UHFFFAOYSA-N 0 0 474.589 0.225 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828804 1067760550 /nfs/dbraw/zinc/76/05/50/1067760550.db2.gz LKTDEMHEVAOIEX-UHFFFAOYSA-N 0 0 470.532 0.004 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828812 1067760510 /nfs/dbraw/zinc/76/05/10/1067760510.db2.gz LUNIRHHTOUROIJ-UHFFFAOYSA-N 0 0 496.614 0.881 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000608828819 1067760587 /nfs/dbraw/zinc/76/05/87/1067760587.db2.gz LXJJCIBUKPOUQM-UHFFFAOYSA-N 0 0 492.557 0.662 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828834 1067762461 /nfs/dbraw/zinc/76/24/61/1067762461.db2.gz MWBJUQVPUBXKIQ-UHFFFAOYSA-N 0 0 478.505 0.499 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828851 1067762487 /nfs/dbraw/zinc/76/24/87/1067762487.db2.gz NLVYPJBDBBXHQQ-UHFFFAOYSA-N 0 0 474.498 0.508 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828858 1067762438 /nfs/dbraw/zinc/76/24/38/1067762438.db2.gz NSMJCMVZBNGYGJ-UHFFFAOYSA-N 0 0 489.557 0.986 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828859 1067762479 /nfs/dbraw/zinc/76/24/79/1067762479.db2.gz NTTFMSHVXCNSHK-UHFFFAOYSA-N 0 0 488.525 0.551 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828860 1067762558 /nfs/dbraw/zinc/76/25/58/1067762558.db2.gz OBMCEPLVOFUJHA-UHFFFAOYSA-N 0 0 486.575 0.536 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000608828861 1067762540 /nfs/dbraw/zinc/76/25/40/1067762540.db2.gz ODTLMQQLVJRCRW-UHFFFAOYSA-N 0 0 487.541 0.738 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828865 1067762517 /nfs/dbraw/zinc/76/25/17/1067762517.db2.gz OIQDAGFCJJLWLE-UHFFFAOYSA-N 0 0 482.587 0.471 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)o1 ZINC000608828868 1067762501 /nfs/dbraw/zinc/76/25/01/1067762501.db2.gz OMKWEWHZIGJMKS-UHFFFAOYSA-N 0 0 486.575 0.535 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828869 1067762525 /nfs/dbraw/zinc/76/25/25/1067762525.db2.gz OSAXJNTWUQSMQU-UHFFFAOYSA-N 0 0 488.525 0.574 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828870 1067762565 /nfs/dbraw/zinc/76/25/65/1067762565.db2.gz OSNHQJLIJLNYSH-UHFFFAOYSA-N 0 0 483.531 0.997 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)o1 ZINC000608828872 1067762418 /nfs/dbraw/zinc/76/24/18/1067762418.db2.gz OXBKBVTVWQZVIY-UHFFFAOYSA-N 0 0 498.586 0.632 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828882 1067762431 /nfs/dbraw/zinc/76/24/31/1067762431.db2.gz PUOXBOLLNGCHHT-UHFFFAOYSA-N 0 0 486.600 0.472 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828885 1067762571 /nfs/dbraw/zinc/76/25/71/1067762571.db2.gz PYUKNAIGGHMFTR-UHFFFAOYSA-N 0 0 468.560 0.163 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828887 1067762492 /nfs/dbraw/zinc/76/24/92/1067762492.db2.gz QEXIXOWNSQQZNE-UHFFFAOYSA-N 0 0 483.575 0.030 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828895 1067762471 /nfs/dbraw/zinc/76/24/71/1067762471.db2.gz QFXAGSHGESFBOE-UHFFFAOYSA-N 0 0 475.486 0.711 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828897 1067762511 /nfs/dbraw/zinc/76/25/11/1067762511.db2.gz QGVWOTKVHLEIHU-UHFFFAOYSA-N 0 0 492.557 0.662 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828898 1067762534 /nfs/dbraw/zinc/76/25/34/1067762534.db2.gz QHVDICMLQBOKFW-UHFFFAOYSA-N 0 0 466.519 0.637 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828912 1067762804 /nfs/dbraw/zinc/76/28/04/1067762804.db2.gz QTMTVETWTCLSPH-UHFFFAOYSA-N 0 0 453.549 0.874 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828927 1067762784 /nfs/dbraw/zinc/76/27/84/1067762784.db2.gz RQZBAXKCRXSTTJ-UHFFFAOYSA-N 0 0 486.550 0.302 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828928 1067762799 /nfs/dbraw/zinc/76/27/99/1067762799.db2.gz RRLZDQDKBATDOT-UHFFFAOYSA-N 0 0 498.561 0.526 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828930 1067762789 /nfs/dbraw/zinc/76/27/89/1067762789.db2.gz RSWCRYVQUYSKOW-UHFFFAOYSA-N 0 0 475.486 0.711 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828931 1067762823 /nfs/dbraw/zinc/76/28/23/1067762823.db2.gz RYQLEMMSQCNCBI-UHFFFAOYSA-N 0 0 483.531 0.995 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828933 1067762810 /nfs/dbraw/zinc/76/28/10/1067762810.db2.gz SBRSMJYGYRCWAH-UHFFFAOYSA-N 0 0 495.586 0.126 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)c1 ZINC000608828937 1067762869 /nfs/dbraw/zinc/76/28/69/1067762869.db2.gz SIEDQLLPQPFJOT-UHFFFAOYSA-N 0 0 492.557 0.662 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000608828948 1067762819 /nfs/dbraw/zinc/76/28/19/1067762819.db2.gz SPOMRGSEUTYKLV-UHFFFAOYSA-N 0 0 492.557 0.662 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000608828950 1067712793 /nfs/dbraw/zinc/71/27/93/1067712793.db2.gz SXVIBLWVTZKHMG-UHFFFAOYSA-N 0 0 496.614 0.942 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828951 1067762893 /nfs/dbraw/zinc/76/28/93/1067762893.db2.gz TVQUATLJFDNUMC-UHFFFAOYSA-N 0 0 482.587 0.635 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828953 1067762862 /nfs/dbraw/zinc/76/28/62/1067762862.db2.gz TYQKUZFLGFBYQA-UHFFFAOYSA-N 0 0 468.560 0.634 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828960 1067712722 /nfs/dbraw/zinc/71/27/22/1067712722.db2.gz UGGWIHYUQTXEHF-UHFFFAOYSA-N 0 0 495.007 0.569 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608828996 1067762826 /nfs/dbraw/zinc/76/28/26/1067762826.db2.gz UUQRBSAHRXZKBG-UHFFFAOYSA-N 0 0 482.587 0.471 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608829002 1067762833 /nfs/dbraw/zinc/76/28/33/1067762833.db2.gz VHWXGCLWLFRKSS-UHFFFAOYSA-N 0 0 494.577 0.166 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 ZINC000608829003 1067762878 /nfs/dbraw/zinc/76/28/78/1067762878.db2.gz VKOOATPILLQVSA-UHFFFAOYSA-N 0 0 488.569 0.977 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608829004 1067762909 /nfs/dbraw/zinc/76/29/09/1067762909.db2.gz VPVLNMBYODJFBR-UHFFFAOYSA-N 0 0 488.616 0.696 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608829006 1067762842 /nfs/dbraw/zinc/76/28/42/1067762842.db2.gz VWXYRFJTUSAIMD-UHFFFAOYSA-N 0 0 482.949 0.917 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)c2nnc3n2CCCCC3)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000608829013 1067762883 /nfs/dbraw/zinc/76/28/83/1067762883.db2.gz WDMWJUMVJZMGNU-UHFFFAOYSA-N 0 0 486.561 0.601 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608829016 1067763171 /nfs/dbraw/zinc/76/31/71/1067763171.db2.gz WLXOSZBEAIZBCL-UHFFFAOYSA-N 0 0 483.575 0.030 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608829017 1067763293 /nfs/dbraw/zinc/76/32/93/1067763293.db2.gz WTMFQKSPUPUCQW-UHFFFAOYSA-N 0 0 494.598 0.719 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608829023 1067763185 /nfs/dbraw/zinc/76/31/85/1067763185.db2.gz WZGNPKJPJQSBNN-UHFFFAOYSA-N 0 0 474.542 0.960 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608829025 1067763179 /nfs/dbraw/zinc/76/31/79/1067763179.db2.gz XAGGFLOAPJDDFI-UHFFFAOYSA-N 0 0 497.602 0.420 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000608829026 1067763327 /nfs/dbraw/zinc/76/33/27/1067763327.db2.gz XBZDCDRABXUIEG-UHFFFAOYSA-N 0 0 490.541 0.368 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608829028 1067763165 /nfs/dbraw/zinc/76/31/65/1067763165.db2.gz XDINWCAEAYFRRO-UHFFFAOYSA-N 0 0 484.484 0.542 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000608829031 1067763237 /nfs/dbraw/zinc/76/32/37/1067763237.db2.gz XIVRKHSCARZWKQ-UHFFFAOYSA-N 0 0 492.532 0.807 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608829033 1067763155 /nfs/dbraw/zinc/76/31/55/1067763155.db2.gz XOALGCXTWJILQF-UHFFFAOYSA-N 0 0 472.548 0.226 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608829036 1067763224 /nfs/dbraw/zinc/76/32/24/1067763224.db2.gz XWVSRLKMYOMNBO-UHFFFAOYSA-N 0 0 462.531 0.572 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608829044 1067763309 /nfs/dbraw/zinc/76/33/09/1067763309.db2.gz YORMHLFIAYGYIR-UHFFFAOYSA-N 0 0 498.561 0.550 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000608829045 1067763320 /nfs/dbraw/zinc/76/33/20/1067763320.db2.gz YPMGDPGSNHBHFS-UHFFFAOYSA-N 0 0 493.501 0.554 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608829048 1067763201 /nfs/dbraw/zinc/76/32/01/1067763201.db2.gz YWFQOLPLELHNKJ-UHFFFAOYSA-N 0 0 488.978 0.508 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000608829051 1067763270 /nfs/dbraw/zinc/76/32/70/1067763270.db2.gz ZPGXTCUKPOYBRK-UHFFFAOYSA-N 0 0 486.575 0.474 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000608829390 1067762846 /nfs/dbraw/zinc/76/28/46/1067762846.db2.gz QSMPWZPONAXAQS-UHFFFAOYSA-N 0 0 487.534 0.699 20 30 JCEDRN C[C@@H](c1cccs1)n1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000608829574 1067713118 /nfs/dbraw/zinc/71/31/18/1067713118.db2.gz AWZCSIZWUZWVDJ-KRWDZBQOSA-N 0 0 495.630 0.927 20 30 JCEDRN C[C@H](c1cccs1)n1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000608829575 1067762900 /nfs/dbraw/zinc/76/29/00/1067762900.db2.gz AWZCSIZWUZWVDJ-QGZVFWFLSA-N 0 0 495.630 0.927 20 30 JCEDRN C[C@@H](c1cccs1)n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000608829758 1067762917 /nfs/dbraw/zinc/76/29/17/1067762917.db2.gz KDPKTDKRXXJBFP-INIZCTEOSA-N 0 0 498.634 0.266 20 30 JCEDRN C[C@H](c1cccs1)n1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000608829759 1067762852 /nfs/dbraw/zinc/76/28/52/1067762852.db2.gz KDPKTDKRXXJBFP-MRXNPFEDSA-N 0 0 498.634 0.266 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1cccs1 ZINC000608829822 1067763133 /nfs/dbraw/zinc/76/31/33/1067763133.db2.gz MLCQSCGZLSNEOE-KBPBESRZSA-N 0 0 457.581 0.968 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1cccs1 ZINC000608829823 1067763195 /nfs/dbraw/zinc/76/31/95/1067763195.db2.gz MLCQSCGZLSNEOE-KGLIPLIRSA-N 0 0 457.581 0.968 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1cccs1 ZINC000608829824 1067763298 /nfs/dbraw/zinc/76/32/98/1067763298.db2.gz MLCQSCGZLSNEOE-UONOGXRCSA-N 0 0 457.581 0.968 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1cccs1 ZINC000608829825 1067763211 /nfs/dbraw/zinc/76/32/11/1067763211.db2.gz MLCQSCGZLSNEOE-ZIAGYGMSSA-N 0 0 457.581 0.968 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2[C@@H](C)c2cccs2)CC1 ZINC000608830010 1067758252 /nfs/dbraw/zinc/75/82/52/1067758252.db2.gz WAMMAAGLDHUXDQ-INIZCTEOSA-N 0 0 482.635 0.981 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2[C@H](C)c2cccs2)CC1 ZINC000608830015 1067758274 /nfs/dbraw/zinc/75/82/74/1067758274.db2.gz WAMMAAGLDHUXDQ-MRXNPFEDSA-N 0 0 482.635 0.981 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000608843049 1067725539 /nfs/dbraw/zinc/72/55/39/1067725539.db2.gz HPLVLJDCZDFWOC-UHFFFAOYSA-N 0 0 479.545 0.784 20 30 JCEDRN N#Cc1ccc(CN2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000608843150 1067759103 /nfs/dbraw/zinc/75/91/03/1067759103.db2.gz JOHNNMLFCAPAJJ-UHFFFAOYSA-N 0 0 462.558 0.914 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NCCNC(=O)c1cnccn1 ZINC000608843522 1067759152 /nfs/dbraw/zinc/75/91/52/1067759152.db2.gz ZANRIYOOKFLHLF-UHFFFAOYSA-N 0 0 451.466 0.917 20 30 JCEDRN CCOC(=O)C=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N1CCOCC1 ZINC000608845978 1067725526 /nfs/dbraw/zinc/72/55/26/1067725526.db2.gz NMZNWDJZDXBDFT-UHFFFAOYSA-N 0 0 485.562 0.624 20 30 JCEDRN CN(CC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000608850267 1067726319 /nfs/dbraw/zinc/72/63/19/1067726319.db2.gz QYOMQJRWVAJXLV-UHFFFAOYSA-N 0 0 459.532 0.812 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cn1C ZINC000608853470 1067765125 /nfs/dbraw/zinc/76/51/25/1067765125.db2.gz IPGCTDGPUFXZOD-INIZCTEOSA-N 0 0 462.557 0.809 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cn1C ZINC000608853471 1067765103 /nfs/dbraw/zinc/76/51/03/1067765103.db2.gz IPGCTDGPUFXZOD-MRXNPFEDSA-N 0 0 462.557 0.809 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000608855207 1067765044 /nfs/dbraw/zinc/76/50/44/1067765044.db2.gz AJIVTCVUPOKFEG-UHFFFAOYSA-N 0 0 479.562 0.686 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(OCCCC#N)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000608855215 1067765173 /nfs/dbraw/zinc/76/51/73/1067765173.db2.gz BHTBTGBHCBAYIL-UHFFFAOYSA-N 0 0 493.589 0.806 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000608855218 1067765522 /nfs/dbraw/zinc/76/55/22/1067765522.db2.gz BKFMWTZWWDYVAX-UHFFFAOYSA-N 0 0 493.589 0.932 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N(C)C ZINC000608855233 1067765394 /nfs/dbraw/zinc/76/53/94/1067765394.db2.gz CSRROYNWCTWQMN-UHFFFAOYSA-N 0 0 481.578 0.710 20 30 JCEDRN CCn1c(=O)c(=Cc2cccc(OCCCC#N)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000608855253 1067726374 /nfs/dbraw/zinc/72/63/74/1067726374.db2.gz DUOMVOVYUXFDSQ-UHFFFAOYSA-N 0 0 495.605 0.564 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N(C)C ZINC000608855254 1067726385 /nfs/dbraw/zinc/72/63/85/1067726385.db2.gz DVJHYEIYPPRYMG-UHFFFAOYSA-N 0 0 495.605 0.956 20 30 JCEDRN Cn1c(=O)c(=Cc2cccc(OCCCC#N)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000608855289 1067726422 /nfs/dbraw/zinc/72/64/22/1067726422.db2.gz HIGUMMNJWQRSHW-UHFFFAOYSA-N 0 0 481.578 0.081 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N(C)C ZINC000608855300 1067765575 /nfs/dbraw/zinc/76/55/75/1067765575.db2.gz IESRPKDXXMZXNL-UHFFFAOYSA-N 0 0 481.578 0.708 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000608855482 1067726343 /nfs/dbraw/zinc/72/63/43/1067726343.db2.gz OAGXPNTUBLZINP-UHFFFAOYSA-N 0 0 492.557 0.584 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CCN1CCOCC1 ZINC000608855507 1067765141 /nfs/dbraw/zinc/76/51/41/1067765141.db2.gz PGQHCMGCPXKHNS-UHFFFAOYSA-N 0 0 481.578 0.174 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000608855602 1067765181 /nfs/dbraw/zinc/76/51/81/1067765181.db2.gz SELVGRXVFCMFOY-UHFFFAOYSA-N 0 0 479.562 0.685 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(OCCCC#N)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000608855608 1067765063 /nfs/dbraw/zinc/76/50/63/1067765063.db2.gz SKYXVNVTKAGKHF-UHFFFAOYSA-N 0 0 479.562 0.462 20 30 JCEDRN CCn1c(=O)c(=Cc2cccc(OCCCC#N)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000608855619 1067765027 /nfs/dbraw/zinc/76/50/27/1067765027.db2.gz TXSJHYQYHDYEID-UHFFFAOYSA-N 0 0 452.536 0.974 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCCCC#N)c3)c(=O)n2C)CC1 ZINC000608855641 1067726600 /nfs/dbraw/zinc/72/66/00/1067726600.db2.gz USYMPHDDHRMEHD-UHFFFAOYSA-N 0 0 465.579 0.797 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(OCCCC#N)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000608855719 1067765036 /nfs/dbraw/zinc/76/50/36/1067765036.db2.gz XQUJBWUAPOAAJI-UHFFFAOYSA-N 0 0 496.589 0.991 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000608864165 1067763481 /nfs/dbraw/zinc/76/34/81/1067763481.db2.gz AYEOSCUPJCGYDC-UHFFFAOYSA-N 0 0 459.459 0.268 20 30 JCEDRN Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCC#N ZINC000608867792 1067764066 /nfs/dbraw/zinc/76/40/66/1067764066.db2.gz CAUXKMHIDPCVNI-UHFFFAOYSA-N 0 0 492.579 0.748 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)cc1 ZINC000608868010 1067764096 /nfs/dbraw/zinc/76/40/96/1067764096.db2.gz OCVVMTMLTIOTCZ-UHFFFAOYSA-N 0 0 492.579 0.952 20 30 JCEDRN Cc1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1S(=O)(=O)NCC#N ZINC000608868125 1067764004 /nfs/dbraw/zinc/76/40/04/1067764004.db2.gz AUKLWNPUGCSOJL-UHFFFAOYSA-N 0 0 457.560 0.529 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000608868210 1067764108 /nfs/dbraw/zinc/76/41/08/1067764108.db2.gz FLIUVKYIDAPUAZ-UHFFFAOYSA-N 0 0 481.556 0.548 20 30 JCEDRN Cc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1S(=O)(=O)NCC#N ZINC000608868321 1067763975 /nfs/dbraw/zinc/76/39/75/1067763975.db2.gz KBHDTAPHQXPXRW-UHFFFAOYSA-N 0 0 450.542 0.977 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 ZINC000608868408 1067764057 /nfs/dbraw/zinc/76/40/57/1067764057.db2.gz QXNZWGCZRGIGRZ-UHFFFAOYSA-N 0 0 450.542 0.814 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1S(=O)(=O)NCC#N ZINC000608868438 1067763935 /nfs/dbraw/zinc/76/39/35/1067763935.db2.gz ULDSIYRUVAUEAW-UHFFFAOYSA-N 0 0 469.567 0.871 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1S(=O)(=O)NCC#N ZINC000608869074 1067763960 /nfs/dbraw/zinc/76/39/60/1067763960.db2.gz LOAAYKPEHLISOH-UHFFFAOYSA-N 0 0 463.541 0.339 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)NCC#N ZINC000608869497 1067764036 /nfs/dbraw/zinc/76/40/36/1067764036.db2.gz VNENFMFXQBLRJV-UHFFFAOYSA-N 0 0 487.563 0.815 20 30 JCEDRN Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1S(=O)(=O)NCC#N ZINC000608869526 1067727462 /nfs/dbraw/zinc/72/74/62/1067727462.db2.gz UBQNGWNTGQMMBF-UHFFFAOYSA-N 0 0 469.523 0.299 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608883488 1067764704 /nfs/dbraw/zinc/76/47/04/1067764704.db2.gz DEJZCWRBQJEZCU-UHFFFAOYSA-N 0 0 470.894 0.934 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(OC)c(F)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608883490 1067764798 /nfs/dbraw/zinc/76/47/98/1067764798.db2.gz DNLUMWSMZSIXPX-UHFFFAOYSA-N 0 0 496.520 0.812 20 30 JCEDRN CCOc1ccc(OCC)c(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC)c1 ZINC000608883515 1067764655 /nfs/dbraw/zinc/76/46/55/1067764655.db2.gz GGDKBRQZABESJZ-UHFFFAOYSA-N 0 0 453.524 0.679 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608883528 1067764730 /nfs/dbraw/zinc/76/47/30/1067764730.db2.gz IHWUZVKOBNIYAZ-UHFFFAOYSA-N 0 0 477.481 0.271 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccc(OC)nc1 ZINC000608883712 1067764339 /nfs/dbraw/zinc/76/43/39/1067764339.db2.gz AWXQQAODATUYPA-UHFFFAOYSA-N 0 0 472.473 0.846 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cc4c(c(OC)c3)OCO4)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000608883723 1067764395 /nfs/dbraw/zinc/76/43/95/1067764395.db2.gz BJZJTSSLBUTBSD-UHFFFAOYSA-N 0 0 492.513 0.822 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(OC)nc1 ZINC000608883728 1067764431 /nfs/dbraw/zinc/76/44/31/1067764431.db2.gz BWJZWWMALQPDRL-UHFFFAOYSA-N 0 0 472.473 0.846 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608883748 1067764711 /nfs/dbraw/zinc/76/47/11/1067764711.db2.gz DKTJBXOZRDVUSZ-UHFFFAOYSA-N 0 0 496.545 0.585 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccs3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608883766 1067727758 /nfs/dbraw/zinc/72/77/58/1067727758.db2.gz FMYHWCJYAQDOEL-UHFFFAOYSA-N 0 0 454.533 0.726 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccc(OC)nc1 ZINC000608883777 1067764668 /nfs/dbraw/zinc/76/46/68/1067764668.db2.gz GFFFTFUBIZHWLL-UHFFFAOYSA-N 0 0 480.502 0.796 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000608883803 1067764739 /nfs/dbraw/zinc/76/47/39/1067764739.db2.gz IHFOPXKLOQXCKG-UHFFFAOYSA-N 0 0 463.475 0.992 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)nc1 ZINC000608883805 1067764816 /nfs/dbraw/zinc/76/48/16/1067764816.db2.gz IHPYPNZSOMOYBP-UHFFFAOYSA-N 0 0 468.539 0.082 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608883811 1067764474 /nfs/dbraw/zinc/76/44/74/1067764474.db2.gz INGSQDNLEPXDDG-HNNXBMFYSA-N 0 0 480.546 0.965 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608883812 1067764446 /nfs/dbraw/zinc/76/44/46/1067764446.db2.gz INGSQDNLEPXDDG-OAHLLOKOSA-N 0 0 480.546 0.965 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 ZINC000608883817 1067764505 /nfs/dbraw/zinc/76/45/05/1067764505.db2.gz IXMRWKYELMQOCB-UHFFFAOYSA-N 0 0 495.517 0.867 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608883825 1067764365 /nfs/dbraw/zinc/76/43/65/1067764365.db2.gz JIURTPKQHHUCOJ-UHFFFAOYSA-N 0 0 480.546 0.967 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccc(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608883845 1067764485 /nfs/dbraw/zinc/76/44/85/1067764485.db2.gz KFZAAUSVMDIGIJ-UHFFFAOYSA-N 0 0 462.531 0.973 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1-c1ccc(OC)nc1 ZINC000608883862 1067764348 /nfs/dbraw/zinc/76/43/48/1067764348.db2.gz LFABSYWWYBNQNA-UHFFFAOYSA-N 0 0 496.545 0.585 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 ZINC000608883886 1067764662 /nfs/dbraw/zinc/76/46/62/1067764662.db2.gz LZUUISHJDPTYBI-AWEZNQCLSA-N 0 0 495.517 0.865 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 ZINC000608883888 1067764642 /nfs/dbraw/zinc/76/46/42/1067764642.db2.gz LZUUISHJDPTYBI-CQSZACIVSA-N 0 0 495.517 0.865 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(OC)nc3)c2=O)oc1C ZINC000608883906 1067764778 /nfs/dbraw/zinc/76/47/78/1067764778.db2.gz MTIZCQQEEYBVBF-UHFFFAOYSA-N 0 0 480.502 0.772 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608883935 1067764693 /nfs/dbraw/zinc/76/46/93/1067764693.db2.gz CPSXIJLSVAKONY-UHFFFAOYSA-N 0 0 495.473 0.231 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(OC)nc3)c2=O)cs1 ZINC000608883936 1067764786 /nfs/dbraw/zinc/76/47/86/1067764786.db2.gz CTOPBWIFZXIVGC-UHFFFAOYSA-N 0 0 483.575 0.683 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3c(F)cccc3F)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608883963 1067773286 /nfs/dbraw/zinc/77/32/86/1067773286.db2.gz NNBWSBSNVAGLKH-UHFFFAOYSA-N 0 0 484.484 0.943 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608883983 1067773350 /nfs/dbraw/zinc/77/33/50/1067773350.db2.gz FOYHZQGTAJGATI-HNNXBMFYSA-N 0 0 492.557 0.892 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608883984 1067773312 /nfs/dbraw/zinc/77/33/12/1067773312.db2.gz FOYHZQGTAJGATI-OAHLLOKOSA-N 0 0 492.557 0.892 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608883995 1067773370 /nfs/dbraw/zinc/77/33/70/1067773370.db2.gz OPLUWKCODMZQFL-UHFFFAOYSA-N 0 0 454.483 0.707 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000608884002 1067773241 /nfs/dbraw/zinc/77/32/41/1067773241.db2.gz OROIPWHWAYXTJD-UHFFFAOYSA-N 0 0 474.550 0.905 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccs3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000608884035 1067773300 /nfs/dbraw/zinc/77/33/00/1067773300.db2.gz QCUVGCROERALEH-UHFFFAOYSA-N 0 0 497.602 0.316 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884047 1067773271 /nfs/dbraw/zinc/77/32/71/1067773271.db2.gz HXNIQGRLSRHCLN-UHFFFAOYSA-N 0 0 471.564 0.805 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608884062 1067773258 /nfs/dbraw/zinc/77/32/58/1067773258.db2.gz IJIUQFXAAWFPOE-UHFFFAOYSA-N 0 0 494.529 0.339 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCc2ccco2)cn1 ZINC000608884065 1067773325 /nfs/dbraw/zinc/77/33/25/1067773325.db2.gz RDHNMWKUDZNNEZ-UHFFFAOYSA-N 0 0 462.491 0.449 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884081 1067773229 /nfs/dbraw/zinc/77/32/29/1067773229.db2.gz SAVRJEGTZMNZDN-UHFFFAOYSA-N 0 0 450.476 0.338 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884098 1067773601 /nfs/dbraw/zinc/77/36/01/1067773601.db2.gz SIOZPHKATVAUEQ-UHFFFAOYSA-N 0 0 493.501 0.573 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccsc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884105 1067773046 /nfs/dbraw/zinc/77/30/46/1067773046.db2.gz SJRBPGLCPZORFY-UHFFFAOYSA-N 0 0 454.533 0.726 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000608884112 1067772899 /nfs/dbraw/zinc/77/28/99/1067772899.db2.gz SRCUTSGUVIGWMT-UHFFFAOYSA-N 0 0 459.491 0.573 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCCOC(C)C)cn1 ZINC000608884129 1067772930 /nfs/dbraw/zinc/77/29/30/1067772930.db2.gz TZKGZPKMLAOODI-UHFFFAOYSA-N 0 0 482.566 0.470 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884156 1067772967 /nfs/dbraw/zinc/77/29/67/1067772967.db2.gz MNDOBIJZEPMAQI-UHFFFAOYSA-N 0 0 457.537 0.415 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccc3F)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884173 1067772920 /nfs/dbraw/zinc/77/29/20/1067772920.db2.gz APANHIYHPBXBTC-UHFFFAOYSA-N 0 0 466.494 0.804 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(OC)c(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884194 1067773007 /nfs/dbraw/zinc/77/30/07/1067773007.db2.gz UWKFXLRQANKEFU-UHFFFAOYSA-N 0 0 492.557 0.982 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884203 1067772994 /nfs/dbraw/zinc/77/29/94/1067772994.db2.gz NOIUHBUQUUBKCT-UHFFFAOYSA-N 0 0 455.521 0.121 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000608884207 1067773026 /nfs/dbraw/zinc/77/30/26/1067773026.db2.gz BCJOVSHLRCKDKC-UHFFFAOYSA-N 0 0 462.487 0.813 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(OC)nc3)c2=O)cc1 ZINC000608884217 1067773246 /nfs/dbraw/zinc/77/32/46/1067773246.db2.gz VVZRDYJITARJEU-UHFFFAOYSA-N 0 0 476.514 0.871 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884221 1067773253 /nfs/dbraw/zinc/77/32/53/1067773253.db2.gz WAGGUDCXWPTRGC-UHFFFAOYSA-N 0 0 450.520 0.877 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608884226 1067773330 /nfs/dbraw/zinc/77/33/30/1067773330.db2.gz BIRWLNVRUMADPR-UHFFFAOYSA-N 0 0 494.529 0.339 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884227 1067773307 /nfs/dbraw/zinc/77/33/07/1067773307.db2.gz BKCUMUKDRGQNNG-HNNXBMFYSA-N 0 0 480.546 0.965 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884228 1067773359 /nfs/dbraw/zinc/77/33/59/1067773359.db2.gz BKCUMUKDRGQNNG-OAHLLOKOSA-N 0 0 480.546 0.965 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884238 1067773267 /nfs/dbraw/zinc/77/32/67/1067773267.db2.gz BTAHKTQQUVXVRJ-UHFFFAOYSA-N 0 0 495.517 0.867 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(F)cc3F)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884258 1067772670 /nfs/dbraw/zinc/77/26/70/1067772670.db2.gz WLRBCRUNQHORIU-UHFFFAOYSA-N 0 0 484.484 0.943 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884264 1067772703 /nfs/dbraw/zinc/77/27/03/1067772703.db2.gz WOCWZBBSCSLINI-AWEZNQCLSA-N 0 0 451.508 0.352 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884265 1067772690 /nfs/dbraw/zinc/77/26/90/1067772690.db2.gz WOCWZBBSCSLINI-CQSZACIVSA-N 0 0 451.508 0.352 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884281 1067772715 /nfs/dbraw/zinc/77/27/15/1067772715.db2.gz CWXIPVQRJGTTFV-AWEZNQCLSA-N 0 0 495.517 0.865 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884282 1067772912 /nfs/dbraw/zinc/77/29/12/1067772912.db2.gz CWXIPVQRJGTTFV-CQSZACIVSA-N 0 0 495.517 0.865 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000608884287 1067772951 /nfs/dbraw/zinc/77/29/51/1067772951.db2.gz DFULTTSGXIUCPV-UHFFFAOYSA-N 0 0 476.562 0.365 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(OC)nc3)c2=O)c1 ZINC000608884306 1067772962 /nfs/dbraw/zinc/77/29/62/1067772962.db2.gz DOCSNIVIGWJRDQ-UHFFFAOYSA-N 0 0 480.546 0.967 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000608884314 1067773015 /nfs/dbraw/zinc/77/30/15/1067773015.db2.gz PPYCIMJSBXUHIW-UHFFFAOYSA-N 0 0 482.591 0.426 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884327 1067773031 /nfs/dbraw/zinc/77/30/31/1067773031.db2.gz FEGQWUYQRIAXPD-UHFFFAOYSA-N 0 0 454.508 0.941 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(OC)nc1 ZINC000608884349 1067773001 /nfs/dbraw/zinc/77/30/01/1067773001.db2.gz GATNTEVVFSGEAJ-UHFFFAOYSA-N 0 0 454.483 0.707 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(OC)c2)OCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608884356 1067773039 /nfs/dbraw/zinc/77/30/39/1067773039.db2.gz XXRNNRFULIBDIJ-UHFFFAOYSA-N 0 0 492.513 0.845 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884357 1067772938 /nfs/dbraw/zinc/77/29/38/1067772938.db2.gz GKGIFBMVGKOMCZ-UHFFFAOYSA-N 0 0 454.508 0.860 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC2CCCC2)cn1 ZINC000608884361 1067772987 /nfs/dbraw/zinc/77/29/87/1067772987.db2.gz YGRXBBBKFKAMTQ-UHFFFAOYSA-N 0 0 450.524 0.598 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 ZINC000608884373 1067772946 /nfs/dbraw/zinc/77/29/46/1067772946.db2.gz YSRVKUBUKKJNRJ-UHFFFAOYSA-N 0 0 481.490 0.476 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000608884380 1067772978 /nfs/dbraw/zinc/77/29/78/1067772978.db2.gz HFWATUVEUSPMII-UHFFFAOYSA-N 0 0 491.573 0.254 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3csc(C)n3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884391 1067772972 /nfs/dbraw/zinc/77/29/72/1067772972.db2.gz ZPNGVUCHNKRZCZ-UHFFFAOYSA-N 0 0 469.548 0.429 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OC)nc3)c2=O)cc1OC ZINC000608884405 1067772677 /nfs/dbraw/zinc/77/26/77/1067772677.db2.gz QIQSHGUDIINDHN-UHFFFAOYSA-N 0 0 496.545 0.968 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884425 1067772684 /nfs/dbraw/zinc/77/26/84/1067772684.db2.gz RKPDLCRKXFARGV-UHFFFAOYSA-N 0 0 498.586 0.735 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000608884427 1067772721 /nfs/dbraw/zinc/77/27/21/1067772721.db2.gz HIDRENZNAFQLFX-UHFFFAOYSA-N 0 0 476.562 0.365 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884429 1067772611 /nfs/dbraw/zinc/77/26/11/1067772611.db2.gz HQOMLNHOVFFGGQ-UHFFFAOYSA-N 0 0 493.501 0.573 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608884443 1067772650 /nfs/dbraw/zinc/77/26/50/1067772650.db2.gz RVKYPRGHUUMYSF-UHFFFAOYSA-N 0 0 478.530 0.503 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(F)c(F)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884451 1067772655 /nfs/dbraw/zinc/77/26/55/1067772655.db2.gz ICBZCVNPSXTEHD-UHFFFAOYSA-N 0 0 484.484 0.943 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1Cl ZINC000608884459 1067772635 /nfs/dbraw/zinc/77/26/35/1067772635.db2.gz SQITUNNYTIALJV-UHFFFAOYSA-N 0 0 485.953 0.656 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000608884480 1067772697 /nfs/dbraw/zinc/77/26/97/1067772697.db2.gz TXMVDAIIGFULLP-UHFFFAOYSA-N 0 0 487.969 0.950 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccc4c3OCCO4)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000608884483 1067772601 /nfs/dbraw/zinc/77/26/01/1067772601.db2.gz UBPBDKBIRNSZGM-UHFFFAOYSA-N 0 0 476.514 0.855 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884516 1067772710 /nfs/dbraw/zinc/77/27/10/1067772710.db2.gz KLOZDJRDZPRMGT-UHFFFAOYSA-N 0 0 451.508 0.353 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(S(C)(=O)=O)cc3)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000608884526 1067772619 /nfs/dbraw/zinc/77/26/19/1067772619.db2.gz VKGVELMVYDJIOQ-UHFFFAOYSA-N 0 0 498.586 0.734 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(OC)nc3)c2=O)cs1 ZINC000608884527 1067772627 /nfs/dbraw/zinc/77/26/27/1067772627.db2.gz VOGMECFRLDBJBL-UHFFFAOYSA-N 0 0 471.564 0.587 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608884536 1067772731 /nfs/dbraw/zinc/77/27/31/1067772731.db2.gz VSABCGGSZOCMTE-UHFFFAOYSA-N 0 0 476.514 0.879 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000608884543 1067765187 /nfs/dbraw/zinc/76/51/87/1067765187.db2.gz VZBJHIQLDRSPDO-CYBMUJFWSA-N 0 0 487.969 0.949 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000608884545 1067765076 /nfs/dbraw/zinc/76/50/76/1067765076.db2.gz VZBJHIQLDRSPDO-ZDUSSCGKSA-N 0 0 487.969 0.949 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccc(OC)nc3)c2=O)cs1 ZINC000608884555 1067765134 /nfs/dbraw/zinc/76/51/34/1067765134.db2.gz WDMPATZLJAHODD-UHFFFAOYSA-N 0 0 485.591 0.977 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884559 1067765583 /nfs/dbraw/zinc/76/55/83/1067765583.db2.gz MOYVPUWAUFVFAE-UHFFFAOYSA-N 0 0 472.473 0.846 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884561 1067765471 /nfs/dbraw/zinc/76/54/71/1067765471.db2.gz MUAXUMHVELIKLO-AWEZNQCLSA-N 0 0 495.517 0.865 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884562 1067765429 /nfs/dbraw/zinc/76/54/29/1067765429.db2.gz MUAXUMHVELIKLO-CQSZACIVSA-N 0 0 495.517 0.865 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc(C)o3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cn1 ZINC000608884568 1067765462 /nfs/dbraw/zinc/76/54/62/1067765462.db2.gz MWNMNSNAWFWONR-UHFFFAOYSA-N 0 0 495.561 0.156 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(OC)nc3)c2=O)cc1 ZINC000608884576 1067765592 /nfs/dbraw/zinc/76/55/92/1067765592.db2.gz NKOUVHGJOMNEIM-UHFFFAOYSA-N 0 0 480.546 0.967 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccc3OC)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884579 1067765480 /nfs/dbraw/zinc/76/54/80/1067765480.db2.gz NQBGMIMNFHFZHP-UHFFFAOYSA-N 0 0 478.530 0.673 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884580 1067765489 /nfs/dbraw/zinc/76/54/89/1067765489.db2.gz NTERNCAEOLRGAP-HNNXBMFYSA-N 0 0 450.520 0.957 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884581 1067765531 /nfs/dbraw/zinc/76/55/31/1067765531.db2.gz NTERNCAEOLRGAP-OAHLLOKOSA-N 0 0 450.520 0.957 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000608884588 1067765954 /nfs/dbraw/zinc/76/59/54/1067765954.db2.gz OEKYFBXWMPWFOH-UHFFFAOYSA-N 0 0 475.574 0.970 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccc4c(c3)CCO4)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884610 1067763249 /nfs/dbraw/zinc/76/32/49/1067763249.db2.gz XAFRKORDWUFGCP-UHFFFAOYSA-N 0 0 490.541 0.599 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884617 1067763636 /nfs/dbraw/zinc/76/36/36/1067763636.db2.gz XHJINBJRFHCWTI-UHFFFAOYSA-N 0 0 496.570 0.511 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884652 1067764455 /nfs/dbraw/zinc/76/44/55/1067764455.db2.gz ZXBCHFBFGAAADP-UHFFFAOYSA-N 0 0 466.519 0.577 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884665 1067764357 /nfs/dbraw/zinc/76/43/57/1067764357.db2.gz PLLRTXMXXHOZLB-UHFFFAOYSA-N 0 0 465.535 0.743 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884674 1067764373 /nfs/dbraw/zinc/76/43/73/1067764373.db2.gz QHUDUFGBOXSNFS-UHFFFAOYSA-N 0 0 451.508 0.353 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884684 1067765069 /nfs/dbraw/zinc/76/50/69/1067765069.db2.gz QRJVWDPYXNTMCF-UHFFFAOYSA-N 0 0 481.490 0.476 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(OC)nc1 ZINC000608884710 1067764685 /nfs/dbraw/zinc/76/46/85/1067764685.db2.gz SMRSMECIZGLXNK-UHFFFAOYSA-N 0 0 480.502 0.297 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884716 1067764770 /nfs/dbraw/zinc/76/47/70/1067764770.db2.gz SSYCBKXAIUBRHV-UHFFFAOYSA-N 0 0 493.501 0.573 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000608884780 1067764677 /nfs/dbraw/zinc/76/46/77/1067764677.db2.gz YFESESOUFXNPMY-UHFFFAOYSA-N 0 0 492.513 0.393 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 ZINC000608884791 1067764757 /nfs/dbraw/zinc/76/47/57/1067764757.db2.gz YYCXBSXTYKIJIJ-HNNXBMFYSA-N 0 0 480.546 0.965 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 ZINC000608884792 1067764809 /nfs/dbraw/zinc/76/48/09/1067764809.db2.gz YYCXBSXTYKIJIJ-OAHLLOKOSA-N 0 0 480.546 0.965 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000608888214 1067773687 /nfs/dbraw/zinc/77/36/87/1067773687.db2.gz DISMXEWUZMZNBH-UHFFFAOYSA-N 0 0 457.468 0.729 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000608888282 1067773664 /nfs/dbraw/zinc/77/36/64/1067773664.db2.gz FYUGQZKIWAEMGX-UHFFFAOYSA-N 0 0 487.494 0.738 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000608888445 1067773712 /nfs/dbraw/zinc/77/37/12/1067773712.db2.gz LCKSAXOAOXKHFO-UHFFFAOYSA-N 0 0 470.507 0.592 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000608888507 1067773760 /nfs/dbraw/zinc/77/37/60/1067773760.db2.gz MKVIFMMQFHEMRQ-UHFFFAOYSA-N 0 0 470.536 0.826 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000608888643 1067773722 /nfs/dbraw/zinc/77/37/22/1067773722.db2.gz PLDZBQCGQATAGE-UHFFFAOYSA-N 0 0 457.468 0.729 20 30 JCEDRN COc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000608889445 1067773779 /nfs/dbraw/zinc/77/37/79/1067773779.db2.gz QYUCOLNJQWHKQI-UHFFFAOYSA-N 0 0 458.496 0.956 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000608889452 1067773799 /nfs/dbraw/zinc/77/37/99/1067773799.db2.gz RPPHHPQZCPMRHZ-UHFFFAOYSA-N 0 0 476.536 0.669 20 30 JCEDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000608889550 1067773635 /nfs/dbraw/zinc/77/36/35/1067773635.db2.gz BBJMGKMBGZRBCR-UHFFFAOYSA-N 0 0 471.495 0.949 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000608889625 1067773748 /nfs/dbraw/zinc/77/37/48/1067773748.db2.gz KYKKANFWJZDUEK-UHFFFAOYSA-N 0 0 484.534 0.998 20 30 JCEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000608889645 1067773736 /nfs/dbraw/zinc/77/37/36/1067773736.db2.gz NHCFQALEDGSSAC-UHFFFAOYSA-N 0 0 472.523 0.838 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000608889657 1067773700 /nfs/dbraw/zinc/77/37/00/1067773700.db2.gz OTVANAWGRMTHOW-UHFFFAOYSA-N 0 0 469.523 0.813 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 ZINC000608889753 1067773607 /nfs/dbraw/zinc/77/36/07/1067773607.db2.gz YWSUVWXLDYKXDK-UHFFFAOYSA-N 0 0 456.524 0.766 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000608890448 1067773770 /nfs/dbraw/zinc/77/37/70/1067773770.db2.gz CIKWJPMHFRHHIR-UHFFFAOYSA-N 0 0 452.496 0.697 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000608890914 1067773789 /nfs/dbraw/zinc/77/37/89/1067773789.db2.gz CIVXDFJGGRLABF-UHFFFAOYSA-N 0 0 484.534 0.982 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000608892888 1067727908 /nfs/dbraw/zinc/72/79/08/1067727908.db2.gz GVFGVSBALYZXEJ-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC000608895548 1067773987 /nfs/dbraw/zinc/77/39/87/1067773987.db2.gz RYVAPIVCRWZZCS-OAQYLSRUSA-N 0 0 468.535 0.819 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000608896176 1067774045 /nfs/dbraw/zinc/77/40/45/1067774045.db2.gz QXGFBUIANZCDHH-UHFFFAOYSA-N 0 0 471.539 0.442 20 30 JCEDRN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(N2CCN(C(C)=O)CC2)n1 ZINC000608904260 1067766298 /nfs/dbraw/zinc/76/62/98/1067766298.db2.gz ZZRJFUHFOPLYOD-UHFFFAOYSA-N 0 0 486.554 0.890 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O ZINC000608910626 1067766874 /nfs/dbraw/zinc/76/68/74/1067766874.db2.gz AFRHCEFXCAGNSU-UHFFFAOYSA-N 0 0 493.448 0.030 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CC(N)=O ZINC000608910630 1067766886 /nfs/dbraw/zinc/76/68/86/1067766886.db2.gz AORZXQSXQOUMSS-UHFFFAOYSA-N 0 0 460.581 0.545 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(N)=O)c1=O ZINC000608910643 1067766861 /nfs/dbraw/zinc/76/68/61/1067766861.db2.gz BFWFCIOSUOIHPS-GFCCVEGCSA-N 0 0 458.496 0.820 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(N)=O)c1=O ZINC000608910646 1067766845 /nfs/dbraw/zinc/76/68/45/1067766845.db2.gz BFWFCIOSUOIHPS-LBPRGKRZSA-N 0 0 458.496 0.820 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2OC)c(=O)n1CC(N)=O ZINC000608910668 1067766916 /nfs/dbraw/zinc/76/69/16/1067766916.db2.gz CBRZTFFBMQZWJO-UHFFFAOYSA-N 0 0 499.376 0.366 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O ZINC000608910672 1067766837 /nfs/dbraw/zinc/76/68/37/1067766837.db2.gz CBTNYNFQNZLJGX-UHFFFAOYSA-N 0 0 466.563 0.842 20 30 JCEDRN COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O ZINC000608910681 1067766655 /nfs/dbraw/zinc/76/66/55/1067766655.db2.gz CHGUHKLIALQKFR-UHFFFAOYSA-N 0 0 481.361 0.836 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O ZINC000608910693 1067766562 /nfs/dbraw/zinc/76/65/62/1067766562.db2.gz DOFZWNSCDHPFQL-UHFFFAOYSA-N 0 0 468.579 0.992 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccc(F)c3)s2)c(=O)n1CC(N)=O ZINC000608910706 1067766633 /nfs/dbraw/zinc/76/66/33/1067766633.db2.gz FLSVKIKKMCATKL-UHFFFAOYSA-N 0 0 486.550 0.528 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1CC(N)=O ZINC000608910709 1067766690 /nfs/dbraw/zinc/76/66/90/1067766690.db2.gz FNVBHNBDOQLSLN-CYBMUJFWSA-N 0 0 485.562 0.682 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1CC(N)=O ZINC000608910711 1067766645 /nfs/dbraw/zinc/76/66/45/1067766645.db2.gz FNVBHNBDOQLSLN-ZDUSSCGKSA-N 0 0 485.562 0.682 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)ccc1SC ZINC000608910729 1067766672 /nfs/dbraw/zinc/76/66/72/1067766672.db2.gz GRHYNJRNBHUARL-UHFFFAOYSA-N 0 0 460.581 0.401 20 30 JCEDRN COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O ZINC000608910733 1067766599 /nfs/dbraw/zinc/76/65/99/1067766599.db2.gz HCWKYWFUNMTDQB-UHFFFAOYSA-N 0 0 467.334 0.492 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1C ZINC000608910736 1067766625 /nfs/dbraw/zinc/76/66/25/1067766625.db2.gz HEMXZCWLMMHODL-UHFFFAOYSA-N 0 0 485.562 0.682 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O ZINC000608910751 1067766577 /nfs/dbraw/zinc/76/65/77/1067766577.db2.gz HQOFUZMQXKIAFP-UHFFFAOYSA-N 0 0 458.496 0.820 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1C ZINC000608910756 1067766702 /nfs/dbraw/zinc/76/67/02/1067766702.db2.gz IIBIFSLWWVKAHB-UHFFFAOYSA-N 0 0 483.546 0.436 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(N)=O ZINC000608910761 1067766842 /nfs/dbraw/zinc/76/68/42/1067766842.db2.gz JGMLEFFOOSSUCY-UHFFFAOYSA-N 0 0 467.551 0.353 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1C ZINC000608910774 1067766954 /nfs/dbraw/zinc/76/69/54/1067766954.db2.gz MWRKWJHQUAOGPL-UHFFFAOYSA-N 0 0 485.562 0.682 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CC(N)=O ZINC000608910775 1067766924 /nfs/dbraw/zinc/76/69/24/1067766924.db2.gz NARMJARDZQXHQL-UHFFFAOYSA-N 0 0 473.511 0.121 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2OC)c(=O)n1CC(N)=O ZINC000608910781 1067766866 /nfs/dbraw/zinc/76/68/66/1067766866.db2.gz NPZHHNIJSBSDHP-UHFFFAOYSA-N 0 0 469.350 0.740 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(C)cc3)s2)c(=O)n1CC(N)=O ZINC000608910790 1067766849 /nfs/dbraw/zinc/76/68/49/1067766849.db2.gz NRIVPJCYJOIVCQ-UHFFFAOYSA-N 0 0 482.587 0.698 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O ZINC000608910802 1067766898 /nfs/dbraw/zinc/76/68/98/1067766898.db2.gz OAORJNQHDCRQBG-UHFFFAOYSA-N 0 0 456.480 0.574 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O ZINC000608910806 1067766869 /nfs/dbraw/zinc/76/68/69/1067766869.db2.gz OITJTMGWJUPKEM-UHFFFAOYSA-N 0 0 452.536 0.522 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2OC)c(=O)n1CC(N)=O ZINC000608910809 1067766908 /nfs/dbraw/zinc/76/69/08/1067766908.db2.gz OKVDTLNORCVKLG-UHFFFAOYSA-N 0 0 467.334 0.516 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1OC ZINC000608910812 1067766857 /nfs/dbraw/zinc/76/68/57/1067766857.db2.gz OLEAETXANCVJMN-UHFFFAOYSA-N 0 0 488.566 0.086 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)ccc1SC ZINC000608910816 1067766890 /nfs/dbraw/zinc/76/68/90/1067766890.db2.gz PCEIQMNBFNVYRV-UHFFFAOYSA-N 0 0 458.565 0.251 20 30 JCEDRN COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O ZINC000608910824 1067766185 /nfs/dbraw/zinc/76/61/85/1067766185.db2.gz PRXJRAQGZLOAQN-UHFFFAOYSA-N 0 0 469.350 0.738 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O ZINC000608910836 1067766145 /nfs/dbraw/zinc/76/61/45/1067766145.db2.gz QWKVTWLKRSIHCH-UHFFFAOYSA-N 0 0 485.522 0.264 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O ZINC000608910838 1067766551 /nfs/dbraw/zinc/76/65/51/1067766551.db2.gz RAFLYWYDTLKYTP-UHFFFAOYSA-N 0 0 466.422 0.633 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)ccc1SC ZINC000608910849 1067766663 /nfs/dbraw/zinc/76/66/63/1067766663.db2.gz SOIUEXHCDCIYQK-UHFFFAOYSA-N 0 0 472.592 0.687 20 30 JCEDRN COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(N)=O)c1=O ZINC000608910857 1067766507 /nfs/dbraw/zinc/76/65/07/1067766507.db2.gz SPUPQCHLJYXTQP-UHFFFAOYSA-N 0 0 497.360 0.072 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O ZINC000608910863 1067766681 /nfs/dbraw/zinc/76/66/81/1067766681.db2.gz SXGKELGFGNKYLH-UHFFFAOYSA-N 0 0 458.496 0.820 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(N)=O ZINC000608910864 1067766516 /nfs/dbraw/zinc/76/65/16/1067766516.db2.gz TVYWBILIDDLFEH-UHFFFAOYSA-N 0 0 453.524 0.107 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)c(-c3cccs3)c2)c(=O)n1CC(N)=O ZINC000608910866 1067766526 /nfs/dbraw/zinc/76/65/26/1067766526.db2.gz UDSKTMMNNZARKT-UHFFFAOYSA-N 0 0 498.561 0.625 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O ZINC000608910873 1067766484 /nfs/dbraw/zinc/76/64/84/1067766484.db2.gz UMSUSDONLAITOS-UHFFFAOYSA-N 0 0 452.536 0.498 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3F)c2)c(=O)n1CC(N)=O ZINC000608910885 1067766611 /nfs/dbraw/zinc/76/66/11/1067766611.db2.gz VDWCBUJSYRCFDP-UHFFFAOYSA-N 0 0 492.532 0.918 20 30 JCEDRN N#CCCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000608910899 1067766588 /nfs/dbraw/zinc/76/65/88/1067766588.db2.gz VUOKRDJWOBGHMF-UHFFFAOYSA-N 0 0 479.562 0.640 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O ZINC000608910900 1067766538 /nfs/dbraw/zinc/76/65/38/1067766538.db2.gz VVRFMOKJANLQCO-UHFFFAOYSA-N 0 0 495.464 0.324 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O ZINC000608910905 1067766853 /nfs/dbraw/zinc/76/68/53/1067766853.db2.gz VXUOFIAGPWTJPE-UHFFFAOYSA-N 0 0 484.578 0.372 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1CC(N)=O ZINC000608910907 1067766876 /nfs/dbraw/zinc/76/68/76/1067766876.db2.gz WCIWNZMYRIZHFG-UHFFFAOYSA-N 0 0 454.552 0.746 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O ZINC000608910908 1067766944 /nfs/dbraw/zinc/76/69/44/1067766944.db2.gz WKHQQMUYDAEDJS-UHFFFAOYSA-N 0 0 478.433 0.777 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000608910911 1067766935 /nfs/dbraw/zinc/76/69/35/1067766935.db2.gz WURFBCUUFKGFEU-UHFFFAOYSA-N 0 0 454.552 0.744 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CC(N)=O ZINC000608910964 1067767246 /nfs/dbraw/zinc/76/72/46/1067767246.db2.gz ZQSXIVKUBHAUPR-UHFFFAOYSA-N 0 0 495.464 0.180 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC3CCCCC3)c2)c(=O)n1CC(N)=O ZINC000608910966 1067767952 /nfs/dbraw/zinc/76/79/52/1067767952.db2.gz ZRECGBPCPDQERF-UHFFFAOYSA-N 0 0 498.605 0.620 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608910974 1067768023 /nfs/dbraw/zinc/76/80/23/1067768023.db2.gz ABUSQRVGZJSMPT-UHFFFAOYSA-N 0 0 468.457 0.713 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O ZINC000608910977 1067767989 /nfs/dbraw/zinc/76/79/89/1067767989.db2.gz AGQBOXIIQHBVPC-UHFFFAOYSA-N 0 0 468.457 0.569 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608910983 1067767996 /nfs/dbraw/zinc/76/79/96/1067767996.db2.gz ANHKSBDJKNABFD-UHFFFAOYSA-N 0 0 452.414 0.075 20 30 JCEDRN N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000608910991 1067768086 /nfs/dbraw/zinc/76/80/86/1067768086.db2.gz ARMMFJGTWXSJIV-UHFFFAOYSA-N 0 0 452.423 0.828 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O ZINC000608910993 1067767960 /nfs/dbraw/zinc/76/79/60/1067767960.db2.gz BAGOOZRANPSUHH-UHFFFAOYSA-N 0 0 452.414 0.075 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2Br)n(CC(N)=O)c1=O ZINC000608910999 1067768064 /nfs/dbraw/zinc/76/80/64/1067768064.db2.gz BWGHLQXXCHCPCA-UHFFFAOYSA-N 0 0 487.339 0.033 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O ZINC000608911002 1067768017 /nfs/dbraw/zinc/76/80/17/1067768017.db2.gz CAWIAHCHVAHSDT-UHFFFAOYSA-N 0 0 451.335 0.827 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911005 1067768080 /nfs/dbraw/zinc/76/80/80/1067768080.db2.gz CIIMCHDBZCKARP-UHFFFAOYSA-N 0 0 480.468 0.856 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000608911009 1067768041 /nfs/dbraw/zinc/76/80/41/1067768041.db2.gz CPIYGIIWRXBIMN-UHFFFAOYSA-N 0 0 482.484 0.460 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O ZINC000608911011 1067768031 /nfs/dbraw/zinc/76/80/31/1067768031.db2.gz CULOGIJSJRNWFC-UHFFFAOYSA-N 0 0 454.430 0.323 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911014 1067767982 /nfs/dbraw/zinc/76/79/82/1067767982.db2.gz DCISLAJRKXIZMS-UHFFFAOYSA-N 0 0 466.441 0.118 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1F ZINC000608911015 1067767966 /nfs/dbraw/zinc/76/79/66/1067767966.db2.gz DDPFFKXLMYIAPY-UHFFFAOYSA-N 0 0 452.467 0.685 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000608911033 1067768006 /nfs/dbraw/zinc/76/80/06/1067768006.db2.gz FKFSWIGMUYUIDG-UHFFFAOYSA-N 0 0 481.397 0.781 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O ZINC000608911034 1067767974 /nfs/dbraw/zinc/76/79/74/1067767974.db2.gz FMMXISIIHKBDJC-UHFFFAOYSA-N 0 0 468.457 0.713 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OCc3cccc(C#N)c3)c2)c(=O)n1CC(N)=O ZINC000608911037 1067767944 /nfs/dbraw/zinc/76/79/44/1067767944.db2.gz FPOZWSUXIGWELF-UHFFFAOYSA-N 0 0 499.552 0.627 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911039 1067768074 /nfs/dbraw/zinc/76/80/74/1067768074.db2.gz FRMNMXJYEJUOAO-UHFFFAOYSA-N 0 0 454.430 0.323 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(CC(N)=O)c1=O ZINC000608911040 1067768340 /nfs/dbraw/zinc/76/83/40/1067768340.db2.gz FTCSFKYNALQVGA-UHFFFAOYSA-N 0 0 494.504 0.756 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C(F)(F)F)c(=O)n2CC(N)=O)CC1 ZINC000608911045 1067768347 /nfs/dbraw/zinc/76/83/47/1067768347.db2.gz GFUHIRWYRFCRPV-UHFFFAOYSA-N 0 0 493.511 0.081 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000608911046 1067768380 /nfs/dbraw/zinc/76/83/80/1067768380.db2.gz GGTNNRBXKKGSOY-UHFFFAOYSA-N 0 0 493.501 0.844 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O ZINC000608911049 1067768300 /nfs/dbraw/zinc/76/83/00/1067768300.db2.gz GQGBKVXWQBFITF-UHFFFAOYSA-N 0 0 466.922 0.233 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O ZINC000608911054 1067768255 /nfs/dbraw/zinc/76/82/55/1067768255.db2.gz GTXCLBZXAONZSA-UHFFFAOYSA-N 0 0 450.467 0.272 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000608911058 1067768231 /nfs/dbraw/zinc/76/82/31/1067768231.db2.gz GYPLYQDLADGWAE-UHFFFAOYSA-N 0 0 469.386 0.638 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O ZINC000608911075 1067768334 /nfs/dbraw/zinc/76/83/34/1067768334.db2.gz ICZHHPCDWPZGAQ-UHFFFAOYSA-N 0 0 472.479 0.193 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911076 1067768364 /nfs/dbraw/zinc/76/83/64/1067768364.db2.gz IDDOASARCRYQBV-UHFFFAOYSA-N 0 0 468.457 0.569 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000608911081 1067768361 /nfs/dbraw/zinc/76/83/61/1067768361.db2.gz IMVNMLPTAZFPTK-UHFFFAOYSA-N 0 0 478.442 0.418 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O ZINC000608911092 1067768285 /nfs/dbraw/zinc/76/82/85/1067768285.db2.gz IZLPQEOXESVFMP-UHFFFAOYSA-N 0 0 480.571 0.485 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O ZINC000608911101 1067768274 /nfs/dbraw/zinc/76/82/74/1067768274.db2.gz JLEZGNRNYFCUEZ-UHFFFAOYSA-N 0 0 483.377 0.748 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O ZINC000608911108 1067768314 /nfs/dbraw/zinc/76/83/14/1067768314.db2.gz KEGDZLIPNMNNHJ-UHFFFAOYSA-N 0 0 469.350 0.358 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O ZINC000608911109 1067768264 /nfs/dbraw/zinc/76/82/64/1067768264.db2.gz KGFLUEQTTRMIDC-UHFFFAOYSA-N 0 0 490.541 0.870 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O ZINC000608911111 1067767516 /nfs/dbraw/zinc/76/75/16/1067767516.db2.gz KNMUKFJWNHDRAW-UHFFFAOYSA-N 0 0 456.549 0.266 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)cc(Cl)c3)c(=O)n2CC(N)=O)CC1 ZINC000608911126 1067767447 /nfs/dbraw/zinc/76/74/47/1067767447.db2.gz LKISKZXKJIRZBH-UHFFFAOYSA-N 0 0 494.404 0.369 20 30 JCEDRN N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O ZINC000608911129 1067767499 /nfs/dbraw/zinc/76/74/99/1067767499.db2.gz LPKOOTTVRIPGFS-UHFFFAOYSA-N 0 0 492.469 0.460 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O ZINC000608911137 1067767511 /nfs/dbraw/zinc/76/75/11/1067767511.db2.gz MDGOMETZWWPJIC-UHFFFAOYSA-N 0 0 493.358 0.859 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O ZINC000608911143 1067767521 /nfs/dbraw/zinc/76/75/21/1067767521.db2.gz MPLVBOPSMFQRLO-UHFFFAOYSA-N 0 0 481.347 0.716 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O ZINC000608911146 1067767488 /nfs/dbraw/zinc/76/74/88/1067767488.db2.gz MTNUGWMOMHKUQW-UHFFFAOYSA-N 0 0 450.467 0.416 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O ZINC000608911148 1067767472 /nfs/dbraw/zinc/76/74/72/1067767472.db2.gz MWDZXUXTMYLUOY-UHFFFAOYSA-N 0 0 465.304 0.078 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O ZINC000608911150 1067767513 /nfs/dbraw/zinc/76/75/13/1067767513.db2.gz MZRISQFZKREOBW-UHFFFAOYSA-N 0 0 480.468 0.856 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O ZINC000608911154 1067767457 /nfs/dbraw/zinc/76/74/57/1067767457.db2.gz NGVLFFRCVUJURI-UHFFFAOYSA-N 0 0 450.545 0.929 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCc3cccc(F)c3)cc2)c(=O)n1CC(N)=O ZINC000608911155 1067767528 /nfs/dbraw/zinc/76/75/28/1067767528.db2.gz NKRKWGUVFXVDRI-UHFFFAOYSA-N 0 0 492.532 0.895 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000608911156 1067767520 /nfs/dbraw/zinc/76/75/20/1067767520.db2.gz NLCBHHKZAISVNP-UHFFFAOYSA-N 0 0 469.386 0.494 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000608911158 1067767525 /nfs/dbraw/zinc/76/75/25/1067767525.db2.gz NVOJLBRETVRYCR-UHFFFAOYSA-N 0 0 450.442 0.539 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2CC(N)=O)CC1 ZINC000608911159 1067767476 /nfs/dbraw/zinc/76/74/76/1067767476.db2.gz NWCJWWZYJUCKHS-UHFFFAOYSA-N 0 0 467.595 0.186 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911162 1067767508 /nfs/dbraw/zinc/76/75/08/1067767508.db2.gz OAIGHPTUTRAZEY-UHFFFAOYSA-N 0 0 454.430 0.321 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000608911166 1067767442 /nfs/dbraw/zinc/76/74/42/1067767442.db2.gz OGRGMEILYQITIT-UHFFFAOYSA-N 0 0 453.343 0.024 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O ZINC000608911171 1067767719 /nfs/dbraw/zinc/76/77/19/1067767719.db2.gz OKKQPBWHSFBGDL-UHFFFAOYSA-N 0 0 470.576 0.656 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000608911174 1067767781 /nfs/dbraw/zinc/76/77/81/1067767781.db2.gz OQLZQPOIZBAWLR-UHFFFAOYSA-N 0 0 464.469 0.976 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3cccs3)cc2F)c(=O)n1CC(N)=O ZINC000608911176 1067767764 /nfs/dbraw/zinc/76/77/64/1067767764.db2.gz OSEPFOKDILVGRZ-UHFFFAOYSA-N 0 0 498.561 0.625 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3cccc(C#N)c3)c2)c(=O)n1CC(N)=O ZINC000608911182 1067767735 /nfs/dbraw/zinc/76/77/35/1067767735.db2.gz OXQUCSUERPBOAK-UHFFFAOYSA-N 0 0 499.552 0.651 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000608911183 1067767756 /nfs/dbraw/zinc/76/77/56/1067767756.db2.gz OYWYILWJKHVWJP-UHFFFAOYSA-N 0 0 455.359 0.247 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O ZINC000608911193 1067767747 /nfs/dbraw/zinc/76/77/47/1067767747.db2.gz QPLBIJVOCZDUJV-UHFFFAOYSA-N 0 0 468.560 0.389 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O ZINC000608911198 1067767738 /nfs/dbraw/zinc/76/77/38/1067767738.db2.gz QZCPQFJEBKCIPF-UHFFFAOYSA-N 0 0 486.506 0.583 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccc3)c2)c(=O)n1CC(N)=O ZINC000608911202 1067767709 /nfs/dbraw/zinc/76/77/09/1067767709.db2.gz RIIGJDUSAYEPBU-UHFFFAOYSA-N 0 0 476.558 0.718 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(N)=O ZINC000608911203 1067767743 /nfs/dbraw/zinc/76/77/43/1067767743.db2.gz RIXWFCLMYCCKAL-UHFFFAOYSA-N 0 0 462.915 0.197 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O ZINC000608911210 1067767787 /nfs/dbraw/zinc/76/77/87/1067767787.db2.gz RZXFSHFGUBHAPE-UHFFFAOYSA-N 0 0 496.932 0.961 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000608911212 1067767731 /nfs/dbraw/zinc/76/77/31/1067767731.db2.gz SFOJCRWIFYQTJD-UHFFFAOYSA-N 0 0 467.370 0.345 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(N)=O ZINC000608911213 1067767761 /nfs/dbraw/zinc/76/77/61/1067767761.db2.gz SFZHMLVOUVEQLH-UHFFFAOYSA-N 0 0 482.905 0.919 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O ZINC000608911219 1067767770 /nfs/dbraw/zinc/76/77/70/1067767770.db2.gz SLFHXVVXKFQRKB-UHFFFAOYSA-N 0 0 466.922 0.233 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(-c3ccccc3)c2)c(=O)n1CC(N)=O ZINC000608911222 1067767714 /nfs/dbraw/zinc/76/77/14/1067767714.db2.gz SZMJBFKEYNCFSX-UHFFFAOYSA-N 0 0 474.542 0.424 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000608911227 1067767752 /nfs/dbraw/zinc/76/77/52/1067767752.db2.gz UFCDBAOPJPXMAG-UHFFFAOYSA-N 0 0 468.457 0.070 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000608911233 1067767730 /nfs/dbraw/zinc/76/77/30/1067767730.db2.gz UIMCMIMGMCDHEW-UHFFFAOYSA-N 0 0 499.412 0.265 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O ZINC000608911238 1067767774 /nfs/dbraw/zinc/76/77/74/1067767774.db2.gz UXJAJPAPVOFJCF-UHFFFAOYSA-N 0 0 453.351 0.977 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccc3)c2)c(=O)n1CC(N)=O ZINC000608911242 1067767690 /nfs/dbraw/zinc/76/76/90/1067767690.db2.gz VIBLWSMDHMWBIA-UHFFFAOYSA-N 0 0 462.531 0.328 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(N)=O ZINC000608911246 1067767724 /nfs/dbraw/zinc/76/77/24/1067767724.db2.gz VNKLCVIOBHTMIW-UHFFFAOYSA-N 0 0 462.915 0.052 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc4ccccc34)c(=O)n2CC(N)=O)CC1 ZINC000608911249 1067767699 /nfs/dbraw/zinc/76/76/99/1067767699.db2.gz VOQKQNMPZIBPEC-UHFFFAOYSA-N 0 0 481.603 0.277 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O ZINC000608911250 1067768055 /nfs/dbraw/zinc/76/80/55/1067768055.db2.gz VSOIWAODYRZJNF-UHFFFAOYSA-N 0 0 486.506 0.583 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(N)=O ZINC000608911254 1067768068 /nfs/dbraw/zinc/76/80/68/1067768068.db2.gz VZIIEWSATAKHFF-UHFFFAOYSA-N 0 0 452.414 0.099 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O ZINC000608911255 1067768050 /nfs/dbraw/zinc/76/80/50/1067768050.db2.gz WARUMZAAFWPUPA-UHFFFAOYSA-N 0 0 482.587 0.779 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccs3)cc2F)c(=O)n1CC(N)=O ZINC000608911272 1067767232 /nfs/dbraw/zinc/76/72/32/1067767232.db2.gz XWGJQVYALMKAES-UHFFFAOYSA-N 0 0 486.550 0.528 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O ZINC000608911290 1067767225 /nfs/dbraw/zinc/76/72/25/1067767225.db2.gz YXRZCKXMRKSQFU-UHFFFAOYSA-N 0 0 467.320 0.326 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911292 1067767274 /nfs/dbraw/zinc/76/72/74/1067767274.db2.gz ZAGCRMKSYCJRRR-UHFFFAOYSA-N 0 0 468.457 0.364 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O ZINC000608911293 1067767177 /nfs/dbraw/zinc/76/71/77/1067767177.db2.gz ZBILOEBVFXABKQ-UHFFFAOYSA-N 0 0 455.359 0.248 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911298 1067767238 /nfs/dbraw/zinc/76/72/38/1067767238.db2.gz ZJGHCPHUGOTRHC-UHFFFAOYSA-N 0 0 494.495 0.898 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911304 1067767218 /nfs/dbraw/zinc/76/72/18/1067767218.db2.gz ZQGRLNBBCJUUHA-UHFFFAOYSA-N 0 0 482.484 0.611 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000608911306 1067767264 /nfs/dbraw/zinc/76/72/64/1067767264.db2.gz ZSOLKMBUTSFSSM-UHFFFAOYSA-N 0 0 452.458 0.689 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O ZINC000608911308 1067767208 /nfs/dbraw/zinc/76/72/08/1067767208.db2.gz ZWTRHYYXENKRJS-UHFFFAOYSA-N 0 0 472.479 0.193 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O ZINC000608911328 1067767201 /nfs/dbraw/zinc/76/72/01/1067767201.db2.gz AIORTCIIKFAVRK-UHFFFAOYSA-N 0 0 490.969 0.485 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(CC(N)=O)c1=O ZINC000608911347 1067767153 /nfs/dbraw/zinc/76/71/53/1067767153.db2.gz BGESHHSQVQZBOX-UHFFFAOYSA-N 0 0 493.589 0.371 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O ZINC000608911348 1067767187 /nfs/dbraw/zinc/76/71/87/1067767187.db2.gz BONSMDUBTNTZKO-UHFFFAOYSA-N 0 0 468.516 0.370 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O ZINC000608911349 1067767182 /nfs/dbraw/zinc/76/71/82/1067767182.db2.gz BPOZWIGSOVJUDK-UHFFFAOYSA-N 0 0 493.383 0.203 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CC(N)=O ZINC000608911352 1067767168 /nfs/dbraw/zinc/76/71/68/1067767168.db2.gz BVEAWPSOUDAXGF-UHFFFAOYSA-N 0 0 493.383 0.586 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O ZINC000608911366 1067767194 /nfs/dbraw/zinc/76/71/94/1067767194.db2.gz BRVZRWSJALEYFV-UHFFFAOYSA-N 0 0 463.357 0.577 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCc3ccccc3)cc2)c(=O)n1CC(N)=O ZINC000608911374 1067767145 /nfs/dbraw/zinc/76/71/45/1067767145.db2.gz CRBQZXVFEZAQRN-UHFFFAOYSA-N 0 0 474.542 0.756 20 30 JCEDRN COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O ZINC000608911379 1067767135 /nfs/dbraw/zinc/76/71/35/1067767135.db2.gz CVUSGUMYMJQASU-UHFFFAOYSA-N 0 0 491.367 0.292 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911383 1067767216 /nfs/dbraw/zinc/76/72/16/1067767216.db2.gz CXVDBJXZGMQIAL-UHFFFAOYSA-N 0 0 450.442 0.539 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O ZINC000608911384 1067767283 /nfs/dbraw/zinc/76/72/83/1067767283.db2.gz CZWCKBGHRIKVLN-UHFFFAOYSA-N 0 0 461.341 0.283 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000608911385 1067767255 /nfs/dbraw/zinc/76/72/55/1067767255.db2.gz CNUYFYWMZZGGSP-UHFFFAOYSA-N 0 0 481.397 0.781 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(N)=O ZINC000608911390 1067767462 /nfs/dbraw/zinc/76/74/62/1067767462.db2.gz CQKJNMOBYMCCGQ-UHFFFAOYSA-N 0 0 456.568 0.366 20 30 JCEDRN N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000608911392 1067767483 /nfs/dbraw/zinc/76/74/83/1067767483.db2.gz DETSIQZSNHLOJR-UHFFFAOYSA-N 0 0 452.423 0.828 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)cc2)c(=O)n1CC(N)=O ZINC000608911393 1067767468 /nfs/dbraw/zinc/76/74/68/1067767468.db2.gz DGBZAFJWEJBVRT-UHFFFAOYSA-N 0 0 474.542 0.779 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911394 1067767493 /nfs/dbraw/zinc/76/74/93/1067767493.db2.gz DIQZKSZFCXRWJI-UHFFFAOYSA-N 0 0 468.457 0.070 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000608911398 1067767504 /nfs/dbraw/zinc/76/75/04/1067767504.db2.gz DKGVHBAYLVBSII-UHFFFAOYSA-N 0 0 464.459 0.698 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O ZINC000608911413 1067768883 /nfs/dbraw/zinc/76/88/83/1067768883.db2.gz FCNJOFXECQWZFG-UHFFFAOYSA-N 0 0 451.335 0.827 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O ZINC000608911419 1067768906 /nfs/dbraw/zinc/76/89/06/1067768906.db2.gz FDXCAWCIZZPGDM-UHFFFAOYSA-N 0 0 462.478 0.558 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(N)=O ZINC000608911420 1067768869 /nfs/dbraw/zinc/76/88/69/1067768869.db2.gz CZAONYMWRQMZMC-UHFFFAOYSA-N 0 0 466.466 0.034 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O ZINC000608911422 1067768844 /nfs/dbraw/zinc/76/88/44/1067768844.db2.gz FIMOXSDILBAICX-UHFFFAOYSA-N 0 0 475.368 0.719 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(CC(N)=O)c1=O ZINC000608911423 1067768879 /nfs/dbraw/zinc/76/88/79/1067768879.db2.gz FIVONVNPSRUWIS-UHFFFAOYSA-N 0 0 476.514 0.617 20 30 JCEDRN CCCOc1c(Cl)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1OC ZINC000608911424 1067768863 /nfs/dbraw/zinc/76/88/63/1067768863.db2.gz DBWNCVVQPYMROB-UHFFFAOYSA-N 0 0 490.969 0.628 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O ZINC000608911429 1067768855 /nfs/dbraw/zinc/76/88/55/1067768855.db2.gz DCVGJBAJUKVNHG-UHFFFAOYSA-N 0 0 490.969 0.629 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)ccc1OC(F)F ZINC000608911430 1067768833 /nfs/dbraw/zinc/76/88/33/1067768833.db2.gz DFQPDAIKXZLXKI-UHFFFAOYSA-N 0 0 466.466 0.033 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000608911431 1067768917 /nfs/dbraw/zinc/76/89/17/1067768917.db2.gz DIGJWCPTPVYPMC-UHFFFAOYSA-N 0 0 499.412 0.265 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000608911444 1067728358 /nfs/dbraw/zinc/72/83/58/1067728358.db2.gz DWQRZISYRZGVRM-UHFFFAOYSA-N 0 0 467.370 0.345 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O ZINC000608911462 1067768945 /nfs/dbraw/zinc/76/89/45/1067768945.db2.gz GOSMXWSYJXTSJM-UHFFFAOYSA-N 0 0 453.351 0.977 20 30 JCEDRN N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000608911464 1067768900 /nfs/dbraw/zinc/76/89/00/1067768900.db2.gz GSDVKUAGLWDQRZ-UHFFFAOYSA-N 0 0 452.423 0.828 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(CC(N)=O)c1=O ZINC000608911469 1067769146 /nfs/dbraw/zinc/76/91/46/1067769146.db2.gz HAZFTSJFNFDTDT-UHFFFAOYSA-N 0 0 492.513 0.317 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O ZINC000608911474 1067769230 /nfs/dbraw/zinc/76/92/30/1067769230.db2.gz FNUWWIKNLKIBMK-UHFFFAOYSA-N 0 0 463.357 0.433 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)cc2)c(=O)n1CC(N)=O ZINC000608911476 1067769104 /nfs/dbraw/zinc/76/91/04/1067769104.db2.gz HFJKWQBCRFREST-UHFFFAOYSA-N 0 0 492.557 0.240 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)cc1 ZINC000608911480 1067769181 /nfs/dbraw/zinc/76/91/81/1067769181.db2.gz HIAGSKUKTUEQFQ-UHFFFAOYSA-N 0 0 477.498 0.576 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000608911481 1067769224 /nfs/dbraw/zinc/76/92/24/1067769224.db2.gz HJFRLNQZOYZLSN-UHFFFAOYSA-N 0 0 493.501 0.844 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1CC(N)=O ZINC000608911503 1067769123 /nfs/dbraw/zinc/76/91/23/1067769123.db2.gz GWIJWLBEAGLBHD-UHFFFAOYSA-N 0 0 494.520 0.269 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OCCC)c(OC)c2)c(=O)n1CC(N)=O ZINC000608911510 1067769211 /nfs/dbraw/zinc/76/92/11/1067769211.db2.gz HNTZZKNGVXJIEX-UHFFFAOYSA-N 0 0 492.985 0.875 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1 ZINC000608911522 1067769153 /nfs/dbraw/zinc/76/91/53/1067769153.db2.gz HWBVDBHSXHZRNR-UHFFFAOYSA-N 0 0 492.513 0.317 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000608911524 1067769217 /nfs/dbraw/zinc/76/92/17/1067769217.db2.gz HYGPLFBEWHXNLQ-UHFFFAOYSA-N 0 0 478.442 0.418 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc1 ZINC000608911535 1067769188 /nfs/dbraw/zinc/76/91/88/1067769188.db2.gz IIULYMNORNQSPH-UHFFFAOYSA-N 0 0 465.462 0.707 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O ZINC000608911542 1067769198 /nfs/dbraw/zinc/76/91/98/1067769198.db2.gz IOWBHHAJRNUJKL-UHFFFAOYSA-N 0 0 454.533 0.997 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O ZINC000608911545 1067769202 /nfs/dbraw/zinc/76/92/02/1067769202.db2.gz IRRFIXAOEFVJJA-UHFFFAOYSA-N 0 0 463.357 0.577 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O ZINC000608911546 1067769171 /nfs/dbraw/zinc/76/91/71/1067769171.db2.gz ITBQMBZFMMEGPW-UHFFFAOYSA-N 0 0 451.335 0.827 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)c1 ZINC000608911554 1067768606 /nfs/dbraw/zinc/76/86/06/1067768606.db2.gz JAINIBJUVGOLGA-UHFFFAOYSA-N 0 0 476.514 0.617 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O ZINC000608911558 1067768580 /nfs/dbraw/zinc/76/85/80/1067768580.db2.gz JBRIVDGPRRQGGZ-UHFFFAOYSA-N 0 0 475.368 0.719 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(CC(N)=O)c1=O ZINC000608911560 1067768544 /nfs/dbraw/zinc/76/85/44/1067768544.db2.gz JLZNCYUIKXWHMR-UHFFFAOYSA-N 0 0 482.543 0.678 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000608911562 1067768558 /nfs/dbraw/zinc/76/85/58/1067768558.db2.gz JPMNCXHAKOQJFV-UHFFFAOYSA-N 0 0 464.459 0.698 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608911563 1067768666 /nfs/dbraw/zinc/76/86/66/1067768666.db2.gz JQNCZGFSGRWKNJ-UHFFFAOYSA-N 0 0 452.458 0.689 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O ZINC000608911572 1067768534 /nfs/dbraw/zinc/76/85/34/1067768534.db2.gz JYFSIGPDQVXULD-UHFFFAOYSA-N 0 0 461.341 0.283 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911581 1067768572 /nfs/dbraw/zinc/76/85/72/1067768572.db2.gz KEJAPTFGDBPGBS-UHFFFAOYSA-N 0 0 482.484 0.460 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608911600 1067768627 /nfs/dbraw/zinc/76/86/27/1067768627.db2.gz LFBPARDSGWGOSS-UHFFFAOYSA-N 0 0 450.442 0.539 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608911610 1067768551 /nfs/dbraw/zinc/76/85/51/1067768551.db2.gz LOJRIEVEQKNHCV-UHFFFAOYSA-N 0 0 452.458 0.833 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(N)=O ZINC000608911614 1067768911 /nfs/dbraw/zinc/76/89/11/1067768911.db2.gz LRJCTNNEQYGFRY-UHFFFAOYSA-N 0 0 478.530 0.944 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608911618 1067768849 /nfs/dbraw/zinc/76/88/49/1067768849.db2.gz LZVQQQNWVSSEFZ-UHFFFAOYSA-N 0 0 468.457 0.070 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O ZINC000608911622 1067768928 /nfs/dbraw/zinc/76/89/28/1067768928.db2.gz CDQQPORSACGLKT-UHFFFAOYSA-N 0 0 454.533 0.997 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O ZINC000608911632 1067768939 /nfs/dbraw/zinc/76/89/39/1067768939.db2.gz MRTCECWMJVISFC-UHFFFAOYSA-N 0 0 467.334 0.064 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O ZINC000608911640 1067768935 /nfs/dbraw/zinc/76/89/35/1067768935.db2.gz CVUGPVQBBBXYQW-UHFFFAOYSA-N 0 0 467.334 0.064 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608911647 1067768838 /nfs/dbraw/zinc/76/88/38/1067768838.db2.gz NQKJJQLZCNQQDJ-UHFFFAOYSA-N 0 0 464.469 0.976 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O ZINC000608911665 1067768923 /nfs/dbraw/zinc/76/89/23/1067768923.db2.gz HQYSILIJYLKLSX-UHFFFAOYSA-N 0 0 498.467 0.586 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)ccc1OC(F)F ZINC000608911674 1067768951 /nfs/dbraw/zinc/76/89/51/1067768951.db2.gz IDEJINGWCLYUAD-UHFFFAOYSA-N 0 0 492.504 0.567 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O ZINC000608911695 1067768368 /nfs/dbraw/zinc/76/83/68/1067768368.db2.gz FRDODQVFGPDEMY-UHFFFAOYSA-N 0 0 467.334 0.064 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(Cl)cccc3Cl)c(=O)n2CC(N)=O)CC1 ZINC000608911722 1067768318 /nfs/dbraw/zinc/76/83/18/1067768318.db2.gz OJAWHIXDNXUIJH-UHFFFAOYSA-N 0 0 494.404 0.369 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c(Cl)c1 ZINC000608911741 1067768239 /nfs/dbraw/zinc/76/82/39/1067768239.db2.gz JYRYJLXPZDDOTE-UHFFFAOYSA-N 0 0 460.943 0.619 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608911742 1067768248 /nfs/dbraw/zinc/76/82/48/1067768248.db2.gz OWPYKDBZVHSGSH-UHFFFAOYSA-N 0 0 482.484 0.460 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O ZINC000608911758 1067768601 /nfs/dbraw/zinc/76/86/01/1067768601.db2.gz KCVVOZACIKBJIT-UHFFFAOYSA-N 0 0 493.383 0.203 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(N)=O ZINC000608911775 1067768621 /nfs/dbraw/zinc/76/86/21/1067768621.db2.gz PLGFBNFZTKFYIL-UHFFFAOYSA-N 0 0 478.530 0.944 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O ZINC000608911777 1067768615 /nfs/dbraw/zinc/76/86/15/1067768615.db2.gz PMDTZZODTJQRKT-UHFFFAOYSA-N 0 0 463.357 0.433 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)s1 ZINC000608911785 1067768660 /nfs/dbraw/zinc/76/86/60/1067768660.db2.gz KVARTDQSXBQQBP-UHFFFAOYSA-N 0 0 482.543 0.678 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O ZINC000608911790 1067768634 /nfs/dbraw/zinc/76/86/34/1067768634.db2.gz KYBLAUNHSBPXAJ-UHFFFAOYSA-N 0 0 498.467 0.586 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CC(N)=O ZINC000608911811 1067768587 /nfs/dbraw/zinc/76/85/87/1067768587.db2.gz QEMHQNWXGAHTRB-UHFFFAOYSA-N 0 0 479.356 0.195 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(-c4ccccc4)o3)c(=O)n2CC(N)=O)CC1 ZINC000608911816 1067768638 /nfs/dbraw/zinc/76/86/38/1067768638.db2.gz LGCVYZGRWLTZBV-UHFFFAOYSA-N 0 0 491.573 0.322 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O ZINC000608911825 1067768594 /nfs/dbraw/zinc/76/85/94/1067768594.db2.gz QXECXDZGYPXCAM-UHFFFAOYSA-N 0 0 483.377 0.748 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O ZINC000608911826 1067768566 /nfs/dbraw/zinc/76/85/66/1067768566.db2.gz QZFXRALMVNAAHE-UHFFFAOYSA-N 0 0 493.383 0.203 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1CC(N)=O ZINC000608911833 1067768673 /nfs/dbraw/zinc/76/86/73/1067768673.db2.gz RXDCYJRBFJHKSL-UHFFFAOYSA-N 0 0 474.542 0.779 20 30 JCEDRN N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000608911852 1067768375 /nfs/dbraw/zinc/76/83/75/1067768375.db2.gz SVXWDVQYCNDKLT-UHFFFAOYSA-N 0 0 452.423 0.828 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc(OC)c1OC ZINC000608911853 1067768292 /nfs/dbraw/zinc/76/82/92/1067768292.db2.gz SWDCJTZOOPVIMC-UHFFFAOYSA-N 0 0 494.529 0.563 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000608911858 1067768307 /nfs/dbraw/zinc/76/83/07/1067768307.db2.gz LTUBIVICYPKZSQ-UHFFFAOYSA-N 0 0 476.942 0.239 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O ZINC000608911915 1067769176 /nfs/dbraw/zinc/76/91/76/1067769176.db2.gz IIJFXOBWGWKCCY-UHFFFAOYSA-N 0 0 469.350 0.358 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O ZINC000608911929 1067769193 /nfs/dbraw/zinc/76/91/93/1067769193.db2.gz VXJAAVBXVQUOKS-UHFFFAOYSA-N 0 0 463.357 0.577 20 30 JCEDRN COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O ZINC000608911936 1067769234 /nfs/dbraw/zinc/76/92/34/1067769234.db2.gz WJHUMNVYSBWISL-UHFFFAOYSA-N 0 0 493.383 0.441 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911966 1067769163 /nfs/dbraw/zinc/76/91/63/1067769163.db2.gz XFEPZVLGTUCNHJ-UHFFFAOYSA-N 0 0 462.478 0.558 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O ZINC000608911969 1067769114 /nfs/dbraw/zinc/76/91/14/1067769114.db2.gz XJKHERVEFHVUTI-UHFFFAOYSA-N 0 0 453.351 0.977 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)cc1 ZINC000608911975 1067769129 /nfs/dbraw/zinc/76/91/29/1067769129.db2.gz XWWHCJFYWFYRMW-UHFFFAOYSA-N 0 0 492.513 0.317 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O ZINC000608911976 1067769474 /nfs/dbraw/zinc/76/94/74/1067769474.db2.gz XYZMBPKDZMCMIT-UHFFFAOYSA-N 0 0 469.350 0.358 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O ZINC000608911980 1067769431 /nfs/dbraw/zinc/76/94/31/1067769431.db2.gz YFAPGFIFVCBFEE-UHFFFAOYSA-N 0 0 450.467 0.416 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O ZINC000608911990 1067771359 /nfs/dbraw/zinc/77/13/59/1067771359.db2.gz YKUVHWKVMBUZEP-UHFFFAOYSA-N 0 0 480.477 0.447 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O ZINC000608911993 1067771337 /nfs/dbraw/zinc/77/13/37/1067771337.db2.gz YQFWZNROAKCUAU-UHFFFAOYSA-N 0 0 496.932 0.961 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCNS(C)(=O)=O ZINC000608911998 1067771451 /nfs/dbraw/zinc/77/14/51/1067771451.db2.gz AGEAWIZVZDDSPA-UHFFFAOYSA-N 0 0 474.608 0.190 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1 ZINC000608912004 1067771383 /nfs/dbraw/zinc/77/13/83/1067771383.db2.gz ZDIJLFKBBHPAMU-UHFFFAOYSA-N 0 0 491.481 0.296 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1CC(N)=O ZINC000608912008 1067771387 /nfs/dbraw/zinc/77/13/87/1067771387.db2.gz ZFQPAZKDGOSLOI-UHFFFAOYSA-N 0 0 492.557 0.240 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O ZINC000608912017 1067771421 /nfs/dbraw/zinc/77/14/21/1067771421.db2.gz AKYBKDZVFOIFLF-UHFFFAOYSA-N 0 0 475.017 0.202 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(N)=O ZINC000608912018 1067771412 /nfs/dbraw/zinc/77/14/12/1067771412.db2.gz ZQSBUGRKQYTYBX-UHFFFAOYSA-N 0 0 478.530 0.944 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O ZINC000608912025 1067771406 /nfs/dbraw/zinc/77/14/06/1067771406.db2.gz KSSFPYMEUQMAIV-UHFFFAOYSA-N 0 0 453.351 0.977 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912035 1067771442 /nfs/dbraw/zinc/77/14/42/1067771442.db2.gz ANUMHIRRZHKMTQ-UHFFFAOYSA-N 0 0 462.597 0.104 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCNS(C)(=O)=O ZINC000608912037 1067771348 /nfs/dbraw/zinc/77/13/48/1067771348.db2.gz ATIBCMZJDDXJFQ-UHFFFAOYSA-N 0 0 476.624 0.495 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O ZINC000608912063 1067771469 /nfs/dbraw/zinc/77/14/69/1067771469.db2.gz MKIDBIRTOPFTKJ-UHFFFAOYSA-N 0 0 468.516 0.370 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912071 1067771478 /nfs/dbraw/zinc/77/14/78/1067771478.db2.gz BNJVDTICEKHMII-UHFFFAOYSA-N 0 0 485.591 0.036 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912077 1067771369 /nfs/dbraw/zinc/77/13/69/1067771369.db2.gz CBCSSKNQQHNCDT-UHFFFAOYSA-N 0 0 478.552 0.485 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n2CC(N)=O)CC1 ZINC000608912078 1067771785 /nfs/dbraw/zinc/77/17/85/1067771785.db2.gz NEYDDTQSHAVANS-UHFFFAOYSA-N 0 0 494.404 0.369 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCNS(C)(=O)=O ZINC000608912093 1067771772 /nfs/dbraw/zinc/77/17/72/1067771772.db2.gz CMHMEMHAEMCOFR-UHFFFAOYSA-N 0 0 476.624 0.414 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912096 1067771744 /nfs/dbraw/zinc/77/17/44/1067771744.db2.gz CMYAIXIHXLDWTB-UHFFFAOYSA-N 0 0 492.579 0.876 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c(Cl)c1 ZINC000608912104 1067771697 /nfs/dbraw/zinc/77/16/97/1067771697.db2.gz CXTPCZGHBARDHQ-UHFFFAOYSA-N 0 0 499.014 0.149 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000608912109 1067771751 /nfs/dbraw/zinc/77/17/51/1067771751.db2.gz DAIBNIRCLYVTBG-UHFFFAOYSA-N 0 0 486.978 0.281 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912111 1067771718 /nfs/dbraw/zinc/77/17/18/1067771718.db2.gz DJFCHULDVUBENQ-UHFFFAOYSA-N 0 0 492.579 0.876 20 30 JCEDRN CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912113 1067771767 /nfs/dbraw/zinc/77/17/67/1067771767.db2.gz DNSIHHTZVSLFJU-UHFFFAOYSA-N 0 0 488.635 0.708 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912116 1067771677 /nfs/dbraw/zinc/77/16/77/1067771677.db2.gz DXNMQEHQFAVKKK-UHFFFAOYSA-N 0 0 492.623 0.274 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912118 1067771716 /nfs/dbraw/zinc/77/17/16/1067771716.db2.gz FAJYGXYOKLAXMF-UHFFFAOYSA-N 0 0 492.623 0.195 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000608912120 1067771703 /nfs/dbraw/zinc/77/17/03/1067771703.db2.gz FCRZPGSFYRDBKN-UHFFFAOYSA-N 0 0 490.632 0.701 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000608912122 1067771798 /nfs/dbraw/zinc/77/17/98/1067771798.db2.gz FGTCHAVMWORQQW-UHFFFAOYSA-N 0 0 468.626 0.104 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O ZINC000608912142 1067770697 /nfs/dbraw/zinc/77/06/97/1067770697.db2.gz GBHUCKPJUHLBQH-UHFFFAOYSA-N 0 0 475.017 0.203 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912145 1067770737 /nfs/dbraw/zinc/77/07/37/1067770737.db2.gz GEVXSQILBCCILV-UHFFFAOYSA-N 0 0 474.608 0.388 20 30 JCEDRN CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912152 1067771125 /nfs/dbraw/zinc/77/11/25/1067771125.db2.gz GKVRKOUBFRDVSE-UHFFFAOYSA-N 0 0 474.608 0.364 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912156 1067771093 /nfs/dbraw/zinc/77/10/93/1067771093.db2.gz GLZGFHHGNQSRFJ-UHFFFAOYSA-N 0 0 492.623 0.277 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000608912162 1067771153 /nfs/dbraw/zinc/77/11/53/1067771153.db2.gz GPGFWLFTUCVAKU-UHFFFAOYSA-N 0 0 484.962 0.033 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000608912167 1067771178 /nfs/dbraw/zinc/77/11/78/1067771178.db2.gz GTHMCGFBVFJCOV-UHFFFAOYSA-N 0 0 499.014 0.150 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O ZINC000608912168 1067771148 /nfs/dbraw/zinc/77/11/48/1067771148.db2.gz OIGWQGWOKOVEPW-UHFFFAOYSA-N 0 0 474.926 0.015 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCNS(C)(=O)=O)c1=O ZINC000608912182 1067771173 /nfs/dbraw/zinc/77/11/73/1067771173.db2.gz HEAAUPRMJJSRAI-UHFFFAOYSA-N 0 0 492.598 0.468 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000608912183 1067771141 /nfs/dbraw/zinc/77/11/41/1067771141.db2.gz HFYQHHKOTBMVDO-UHFFFAOYSA-N 0 0 480.999 0.238 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912204 1067771109 /nfs/dbraw/zinc/77/11/09/1067771109.db2.gz HSQIDYHJMFLLFX-UHFFFAOYSA-N 0 0 464.525 0.095 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCNS(C)(=O)=O ZINC000608912214 1067771048 /nfs/dbraw/zinc/77/10/48/1067771048.db2.gz IFAXCIRNHFAAOT-UHFFFAOYSA-N 0 0 489.044 0.593 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912217 1067771025 /nfs/dbraw/zinc/77/10/25/1067771025.db2.gz IHHDBHRFVJNSIX-UHFFFAOYSA-N 0 0 492.623 0.133 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000608912227 1067771053 /nfs/dbraw/zinc/77/10/53/1067771053.db2.gz INGUYWYGYCHJTL-UHFFFAOYSA-N 0 0 476.624 0.412 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000608912233 1067771065 /nfs/dbraw/zinc/77/10/65/1067771065.db2.gz PKJWABKSRKPRDP-UHFFFAOYSA-N 0 0 455.359 0.247 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O ZINC000608912238 1067771081 /nfs/dbraw/zinc/77/10/81/1067771081.db2.gz PTEVDEFZARJSKU-UHFFFAOYSA-N 0 0 452.536 0.979 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912248 1067771167 /nfs/dbraw/zinc/77/11/67/1067771167.db2.gz IWDHXWUOSNAQPB-UHFFFAOYSA-N 0 0 486.978 0.281 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912251 1067771101 /nfs/dbraw/zinc/77/11/01/1067771101.db2.gz JDOGUZKBDYHYLW-UHFFFAOYSA-N 0 0 478.552 0.485 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O ZINC000608912254 1067771496 /nfs/dbraw/zinc/77/14/96/1067771496.db2.gz QPQCMZTUGAHSSC-UHFFFAOYSA-N 0 0 453.351 0.977 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O ZINC000608912256 1067771457 /nfs/dbraw/zinc/77/14/57/1067771457.db2.gz QSVXZYLDXGINHC-UHFFFAOYSA-N 0 0 483.377 0.748 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc(C)c1OC(F)F ZINC000608912273 1067771518 /nfs/dbraw/zinc/77/15/18/1067771518.db2.gz QALWUHIGDFNMPT-UHFFFAOYSA-N 0 0 462.478 0.395 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1Br)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O ZINC000608912284 1067770404 /nfs/dbraw/zinc/77/04/04/1067770404.db2.gz RRKJLQFSUDJTJR-UHFFFAOYSA-N 0 0 484.335 0.694 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)ccc(Cl)c2Cl)c(=O)n1CC(N)=O ZINC000608912307 1067770794 /nfs/dbraw/zinc/77/07/94/1067770794.db2.gz QYOOJQCLXWJUBH-UHFFFAOYSA-N 0 0 489.768 0.621 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O ZINC000608912322 1067770827 /nfs/dbraw/zinc/77/08/27/1067770827.db2.gz TXIWBPVXELHBTM-UHFFFAOYSA-N 0 0 451.335 0.827 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O ZINC000608912327 1067770867 /nfs/dbraw/zinc/77/08/67/1067770867.db2.gz RIRBNIWEGGAHBV-UHFFFAOYSA-N 0 0 464.503 0.017 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O ZINC000608912333 1067770808 /nfs/dbraw/zinc/77/08/08/1067770808.db2.gz RNGWYLBSWROAOT-UHFFFAOYSA-N 0 0 450.520 0.930 20 30 JCEDRN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O ZINC000608912351 1067770834 /nfs/dbraw/zinc/77/08/34/1067770834.db2.gz UROCCGKTTNMCJM-UHFFFAOYSA-N 0 0 462.487 0.308 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912354 1067770709 /nfs/dbraw/zinc/77/07/09/1067770709.db2.gz JKTVQXAZVCATIS-UHFFFAOYSA-N 0 0 476.624 0.351 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O ZINC000608912358 1067770786 /nfs/dbraw/zinc/77/07/86/1067770786.db2.gz UYKAFXNZFDQTRR-UHFFFAOYSA-N 0 0 451.335 0.827 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCNS(C)(=O)=O ZINC000608912380 1067770727 /nfs/dbraw/zinc/77/07/27/1067770727.db2.gz KGHPFYLLRITBNI-UHFFFAOYSA-N 0 0 468.626 0.248 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2csc3ccccc23)sc1=C(C#N)C(=O)NC1CC1 ZINC000608912382 1067770849 /nfs/dbraw/zinc/77/08/49/1067770849.db2.gz KGZNJCJVAJXCLH-UHFFFAOYSA-N 0 0 488.616 0.455 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912384 1067770716 /nfs/dbraw/zinc/77/07/16/1067770716.db2.gz KHEMGBLQCZEPEL-UHFFFAOYSA-N 0 0 492.623 0.275 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000608912389 1067770755 /nfs/dbraw/zinc/77/07/55/1067770755.db2.gz VYQYPVFSMAGEEC-UHFFFAOYSA-N 0 0 478.442 0.418 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912398 1067770686 /nfs/dbraw/zinc/77/06/86/1067770686.db2.gz KUPROVCTAAXEFO-UHFFFAOYSA-N 0 0 485.591 0.035 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912410 1067770841 /nfs/dbraw/zinc/77/08/41/1067770841.db2.gz LZQOPORNQOWURR-UHFFFAOYSA-N 0 0 488.635 0.638 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000608912416 1067770817 /nfs/dbraw/zinc/77/08/17/1067770817.db2.gz MMJDOJAXZWLSNL-UHFFFAOYSA-N 0 0 474.608 0.166 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)s1 ZINC000608912425 1067770187 /nfs/dbraw/zinc/77/01/87/1067770187.db2.gz MUKLEYKPNDBUQT-UHFFFAOYSA-N 0 0 480.637 0.391 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000608912429 1067770175 /nfs/dbraw/zinc/77/01/75/1067770175.db2.gz NBFYHNHIZVQNDJ-UHFFFAOYSA-N 0 0 486.978 0.279 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912431 1067770217 /nfs/dbraw/zinc/77/02/17/1067770217.db2.gz NBWYEVPVWISLAD-UHFFFAOYSA-N 0 0 486.978 0.279 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCNS(C)(=O)=O ZINC000608912443 1067770106 /nfs/dbraw/zinc/77/01/06/1067770106.db2.gz NIDBAENGAUMZFU-UHFFFAOYSA-N 0 0 484.550 0.157 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)NC1CC1 ZINC000608912454 1067770432 /nfs/dbraw/zinc/77/04/32/1067770432.db2.gz NVOPMWUGKGKHKN-UHFFFAOYSA-N 0 0 484.962 0.033 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000608912475 1067770484 /nfs/dbraw/zinc/77/04/84/1067770484.db2.gz XGOZPYRCQRCFCP-UHFFFAOYSA-N 0 0 493.501 0.844 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O ZINC000608912476 1067770410 /nfs/dbraw/zinc/77/04/10/1067770410.db2.gz SWUPNDCSNCBSCN-UHFFFAOYSA-N 0 0 488.953 0.335 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912482 1067770425 /nfs/dbraw/zinc/77/04/25/1067770425.db2.gz OJDDIDGWFJSAJG-UHFFFAOYSA-N 0 0 476.624 0.351 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912483 1067770457 /nfs/dbraw/zinc/77/04/57/1067770457.db2.gz OLCZCLRODNJEDR-UHFFFAOYSA-N 0 0 499.618 0.427 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912503 1067770418 /nfs/dbraw/zinc/77/04/18/1067770418.db2.gz PNTBBTMBBKEVET-UHFFFAOYSA-N 0 0 474.608 0.201 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608912517 1067770478 /nfs/dbraw/zinc/77/04/78/1067770478.db2.gz PXBWQVDJVKEZCP-UHFFFAOYSA-N 0 0 496.561 0.299 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O ZINC000608912522 1067770398 /nfs/dbraw/zinc/77/03/98/1067770398.db2.gz UCEYRPQQIXIAPB-UHFFFAOYSA-N 0 0 476.942 0.239 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912525 1067770391 /nfs/dbraw/zinc/77/03/91/1067770391.db2.gz PXYLTVXJQFZAOY-UHFFFAOYSA-N 0 0 483.015 0.388 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O ZINC000608912526 1067770452 /nfs/dbraw/zinc/77/04/52/1067770452.db2.gz UNWBQPMAWWUMDL-UHFFFAOYSA-N 0 0 450.545 0.905 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000608912527 1067770440 /nfs/dbraw/zinc/77/04/40/1067770440.db2.gz UONOBTXRQSZRGM-UHFFFAOYSA-N 0 0 469.386 0.494 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000608912532 1067770420 /nfs/dbraw/zinc/77/04/20/1067770420.db2.gz PYKXRWIKSCXJEE-UHFFFAOYSA-N 0 0 498.542 0.753 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912538 1067770516 /nfs/dbraw/zinc/77/05/16/1067770516.db2.gz PZZJYYWHSMSJMX-UHFFFAOYSA-N 0 0 492.623 0.277 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc(C)c1OC(F)F ZINC000608912544 1067770466 /nfs/dbraw/zinc/77/04/66/1067770466.db2.gz VDRCJYRECMEFMD-UHFFFAOYSA-N 0 0 464.494 0.641 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912545 1067770510 /nfs/dbraw/zinc/77/05/10/1067770510.db2.gz QWZBWTKKGRNHCE-UHFFFAOYSA-N 0 0 492.623 0.275 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)c(Cl)c3)c(=O)n2CC(N)=O)CC1 ZINC000608912566 1067770496 /nfs/dbraw/zinc/77/04/96/1067770496.db2.gz ZYJCPGKBQGNQDW-UHFFFAOYSA-N 0 0 494.404 0.369 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1CC(N)=O ZINC000608912572 1067769838 /nfs/dbraw/zinc/76/98/38/1067769838.db2.gz VIGLCMZQKARPFA-UHFFFAOYSA-N 0 0 462.478 0.419 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O ZINC000608912599 1067769812 /nfs/dbraw/zinc/76/98/12/1067769812.db2.gz XAVDUXXLPFDRMV-UHFFFAOYSA-N 0 0 488.953 0.382 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O ZINC000608912608 1067769870 /nfs/dbraw/zinc/76/98/70/1067769870.db2.gz XOHSMTBQYAKTKI-UHFFFAOYSA-N 0 0 453.343 0.024 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O ZINC000608912611 1067769740 /nfs/dbraw/zinc/76/97/40/1067769740.db2.gz XRMNGZPWFJSXHO-UHFFFAOYSA-N 0 0 468.560 0.389 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(N)=O ZINC000608912614 1067769789 /nfs/dbraw/zinc/76/97/89/1067769789.db2.gz YADRKQIRJIIZBN-UHFFFAOYSA-N 0 0 478.958 0.103 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912615 1067769849 /nfs/dbraw/zinc/76/98/49/1067769849.db2.gz RDUIBWYKMSAWIY-UHFFFAOYSA-N 0 0 476.624 0.610 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(-c3ccccc3)o2)sc1=C(C#N)C(=O)NC1CC1 ZINC000608912619 1067769760 /nfs/dbraw/zinc/76/97/60/1067769760.db2.gz RDZIBOOSXUMQEQ-UHFFFAOYSA-N 0 0 498.586 0.501 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O ZINC000608912635 1067769891 /nfs/dbraw/zinc/76/98/91/1067769891.db2.gz YUGTZZKMZLXBJS-UHFFFAOYSA-N 0 0 480.571 0.485 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(N)=O)c1=O ZINC000608912637 1067769799 /nfs/dbraw/zinc/76/97/99/1067769799.db2.gz YWTBTDMZXNUWIH-UHFFFAOYSA-N 0 0 466.519 0.066 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912639 1067769908 /nfs/dbraw/zinc/76/99/08/1067769908.db2.gz RKKHGYKZCUCEGY-CYBMUJFWSA-N 0 0 478.552 0.485 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912640 1067770120 /nfs/dbraw/zinc/77/01/20/1067770120.db2.gz RKKHGYKZCUCEGY-ZDUSSCGKSA-N 0 0 478.552 0.485 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000608912647 1067770103 /nfs/dbraw/zinc/77/01/03/1067770103.db2.gz RRHWMJSVQOJFMT-UHFFFAOYSA-N 0 0 487.028 0.299 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O ZINC000608912660 1067770144 /nfs/dbraw/zinc/77/01/44/1067770144.db2.gz ZAPMXBINBHKQOQ-UHFFFAOYSA-N 0 0 475.368 0.719 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608912663 1067770115 /nfs/dbraw/zinc/77/01/15/1067770115.db2.gz TZVHHPHELIPAHE-UHFFFAOYSA-N 0 0 495.026 0.674 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912665 1067770192 /nfs/dbraw/zinc/77/01/92/1067770192.db2.gz UDGBODJKBYEVPA-UHFFFAOYSA-N 0 0 476.624 0.612 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc(C)c1OC(F)F ZINC000608912668 1067770125 /nfs/dbraw/zinc/77/01/25/1067770125.db2.gz ZDUAVMVMWITXJF-UHFFFAOYSA-N 0 0 478.521 0.889 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912673 1067770130 /nfs/dbraw/zinc/77/01/30/1067770130.db2.gz UOTNXVAGHKWAON-UHFFFAOYSA-N 0 0 496.586 0.026 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCNS(C)(=O)=O)c1=O ZINC000608912677 1067770135 /nfs/dbraw/zinc/77/01/35/1067770135.db2.gz URDZQLRXOYZSQM-UHFFFAOYSA-N 0 0 478.571 0.032 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608912680 1067770168 /nfs/dbraw/zinc/77/01/68/1067770168.db2.gz URXFBMDRCYWDRO-UHFFFAOYSA-N 0 0 496.561 0.299 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1C ZINC000608912682 1067770151 /nfs/dbraw/zinc/77/01/51/1067770151.db2.gz UVFXTIYTVCJGHK-UHFFFAOYSA-N 0 0 488.635 0.510 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912683 1067770180 /nfs/dbraw/zinc/77/01/80/1067770180.db2.gz UXIMPCOHBRSJJD-UHFFFAOYSA-N 0 0 490.607 0.029 20 30 JCEDRN CCCOc1c(Cl)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1OC ZINC000608912691 1067770160 /nfs/dbraw/zinc/77/01/60/1067770160.db2.gz ZQUBYSSBFGTEQX-UHFFFAOYSA-N 0 0 492.985 0.874 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912703 1067770201 /nfs/dbraw/zinc/77/02/01/1067770201.db2.gz VGHJIEUUCGZJSU-UHFFFAOYSA-N 0 0 490.607 0.051 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCNS(C)(=O)=O ZINC000608912711 1067770210 /nfs/dbraw/zinc/77/02/10/1067770210.db2.gz WBKBBDHJOHIAGU-UHFFFAOYSA-N 0 0 480.587 0.326 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912720 1067769483 /nfs/dbraw/zinc/76/94/83/1067769483.db2.gz WREZTQVVKIQRBM-UHFFFAOYSA-N 0 0 474.608 0.201 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912728 1067769425 /nfs/dbraw/zinc/76/94/25/1067769425.db2.gz XJXIWIUUZIIMPN-UHFFFAOYSA-N 0 0 492.623 0.114 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912733 1067769579 /nfs/dbraw/zinc/76/95/79/1067769579.db2.gz YFULUNLDFWUQOR-UHFFFAOYSA-N 0 0 468.988 0.140 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCNS(C)(=O)=O ZINC000608912740 1067769418 /nfs/dbraw/zinc/76/94/18/1067769418.db2.gz YXNJOFMNXVHDME-UHFFFAOYSA-N 0 0 462.597 0.105 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000608912745 1067769455 /nfs/dbraw/zinc/76/94/55/1067769455.db2.gz ZMXPHBBKITVUGE-UHFFFAOYSA-N 0 0 480.587 0.182 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)C1CCC1 ZINC000608912749 1067769574 /nfs/dbraw/zinc/76/95/74/1067769574.db2.gz ASOUUFWCXMEUMR-UHFFFAOYSA-N 0 0 476.536 0.239 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCNS(C)(=O)=O ZINC000608912750 1067769498 /nfs/dbraw/zinc/76/94/98/1067769498.db2.gz AVGYXNREIIPYMV-UHFFFAOYSA-N 0 0 462.597 0.187 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000608912752 1067769507 /nfs/dbraw/zinc/76/95/07/1067769507.db2.gz BAMUVXBXNJLPOK-UHFFFAOYSA-N 0 0 462.597 0.043 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O ZINC000608912761 1067769527 /nfs/dbraw/zinc/76/95/27/1067769527.db2.gz BNJNXBHBMLGEIH-UHFFFAOYSA-N 0 0 492.579 0.876 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608912762 1067769535 /nfs/dbraw/zinc/76/95/35/1067769535.db2.gz BOPWAABUXQQBIU-UHFFFAOYSA-N 0 0 460.581 0.021 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O ZINC000608912770 1067769722 /nfs/dbraw/zinc/76/97/22/1067769722.db2.gz BYCNMLFPHYTCBA-UHFFFAOYSA-N 0 0 478.552 0.485 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912794 1067769827 /nfs/dbraw/zinc/76/98/27/1067769827.db2.gz DBSTZJLYHGJNHC-UHFFFAOYSA-N 0 0 492.579 0.876 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912795 1067769903 /nfs/dbraw/zinc/76/99/03/1067769903.db2.gz DFBFMPWIUHRTNX-UHFFFAOYSA-N 0 0 476.624 0.441 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912800 1067769767 /nfs/dbraw/zinc/76/97/67/1067769767.db2.gz DLAKXLAVLSJFMH-UHFFFAOYSA-N 0 0 492.648 0.306 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912821 1067769731 /nfs/dbraw/zinc/76/97/31/1067769731.db2.gz FLKPFMMWZGXNHT-UHFFFAOYSA-N 0 0 488.635 0.583 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912823 1067769860 /nfs/dbraw/zinc/76/98/60/1067769860.db2.gz FUUQPIUUAVFNGO-UHFFFAOYSA-N 0 0 476.624 0.297 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912830 1067769749 /nfs/dbraw/zinc/76/97/49/1067769749.db2.gz GRQRTBDFXQYRDT-UHFFFAOYSA-N 0 0 482.587 0.909 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912846 1067769779 /nfs/dbraw/zinc/76/97/79/1067769779.db2.gz GXHVWGUBHQBZRS-UHFFFAOYSA-N 0 0 478.552 0.485 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCNS(C)(=O)=O)c1=O ZINC000608912848 1067769716 /nfs/dbraw/zinc/76/97/16/1067769716.db2.gz HAQHKGSVDDWXAQ-UHFFFAOYSA-N 0 0 498.586 0.609 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912849 1067769882 /nfs/dbraw/zinc/76/98/82/1067769882.db2.gz HEHQLEGXYKNZRU-UHFFFAOYSA-N 0 0 494.664 0.456 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608912871 1067769554 /nfs/dbraw/zinc/76/95/54/1067769554.db2.gz HRUSVNRTBQRCNU-UHFFFAOYSA-N 0 0 478.571 0.160 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCNS(C)(=O)=O ZINC000608912885 1067769404 /nfs/dbraw/zinc/76/94/04/1067769404.db2.gz HVWXNHDWQKIREV-UHFFFAOYSA-N 0 0 464.525 0.095 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)c1ccccc1 ZINC000608912887 1067769566 /nfs/dbraw/zinc/76/95/66/1067769566.db2.gz IDRQOUSSOKUVFH-UHFFFAOYSA-N 0 0 498.542 0.753 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608912892 1067769397 /nfs/dbraw/zinc/76/93/97/1067769397.db2.gz IOROWAUNECRCOK-UHFFFAOYSA-N 0 0 466.560 0.017 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCNS(C)(=O)=O)c1=O ZINC000608912894 1067769515 /nfs/dbraw/zinc/76/95/15/1067769515.db2.gz IPPBSJANVKWEPU-UHFFFAOYSA-N 0 0 488.616 0.971 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912897 1067769447 /nfs/dbraw/zinc/76/94/47/1067769447.db2.gz IQPRWMKPMCTITC-UHFFFAOYSA-N 0 0 490.607 0.029 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912900 1067769465 /nfs/dbraw/zinc/76/94/65/1067769465.db2.gz IYTKBPBITPVTSI-UHFFFAOYSA-N 0 0 466.560 0.017 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608912901 1067769545 /nfs/dbraw/zinc/76/95/45/1067769545.db2.gz JBEBZPOIIZDRJK-UHFFFAOYSA-N 0 0 495.026 0.674 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000608912904 1067771726 /nfs/dbraw/zinc/77/17/26/1067771726.db2.gz JHKGNZUNVIXHAH-UHFFFAOYSA-N 0 0 468.626 0.104 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCNS(C)(=O)=O)c1=O ZINC000608912905 1067771735 /nfs/dbraw/zinc/77/17/35/1067771735.db2.gz JLUUWXFDPLDBHB-UHFFFAOYSA-N 0 0 480.637 0.391 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912928 1067771684 /nfs/dbraw/zinc/77/16/84/1067771684.db2.gz JZYRDZFRFHMSFU-UHFFFAOYSA-N 0 0 491.591 0.364 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)C1CCC1 ZINC000608912931 1067771805 /nfs/dbraw/zinc/77/18/05/1067771805.db2.gz KYUKIOCVTYFFGA-UHFFFAOYSA-N 0 0 476.536 0.239 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCNS(C)(=O)=O ZINC000608912937 1067771778 /nfs/dbraw/zinc/77/17/78/1067771778.db2.gz LEBIDUKIZFZVBT-UHFFFAOYSA-N 0 0 476.624 0.495 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000608912945 1067771709 /nfs/dbraw/zinc/77/17/09/1067771709.db2.gz LORIOOQUDDPPLM-UHFFFAOYSA-N 0 0 483.015 0.532 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912952 1067771760 /nfs/dbraw/zinc/77/17/60/1067771760.db2.gz LYPJFYNGAQXSEP-UHFFFAOYSA-N 0 0 468.988 0.140 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c(C)c1 ZINC000608912953 1067772001 /nfs/dbraw/zinc/77/20/01/1067772001.db2.gz MFJVOXPBPFREIL-UHFFFAOYSA-N 0 0 476.624 0.351 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608912954 1067771979 /nfs/dbraw/zinc/77/19/79/1067771979.db2.gz MGQYDONUXVKAAI-UHFFFAOYSA-N 0 0 478.571 0.160 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608913024 1067772057 /nfs/dbraw/zinc/77/20/57/1067772057.db2.gz OKDLUDRQBAVDRO-UHFFFAOYSA-N 0 0 478.571 0.160 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O ZINC000608913030 1067772027 /nfs/dbraw/zinc/77/20/27/1067772027.db2.gz OUWNLWHMIYXXIC-CYBMUJFWSA-N 0 0 478.552 0.485 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCNS(C)(=O)=O ZINC000608913032 1067772019 /nfs/dbraw/zinc/77/20/19/1067772019.db2.gz OUWNLWHMIYXXIC-ZDUSSCGKSA-N 0 0 478.552 0.485 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608913042 1067771960 /nfs/dbraw/zinc/77/19/60/1067771960.db2.gz PFRJFXGOICVFNI-UHFFFAOYSA-N 0 0 498.586 0.609 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913053 1067772079 /nfs/dbraw/zinc/77/20/79/1067772079.db2.gz PYKBYGIZJYOFKR-AWEZNQCLSA-N 0 0 491.591 0.364 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913054 1067771968 /nfs/dbraw/zinc/77/19/68/1067771968.db2.gz PYKBYGIZJYOFKR-CQSZACIVSA-N 0 0 491.591 0.364 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000608913057 1067772074 /nfs/dbraw/zinc/77/20/74/1067772074.db2.gz QDMGJUOVOIRFMH-UHFFFAOYSA-N 0 0 480.999 0.238 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000608913061 1067771975 /nfs/dbraw/zinc/77/19/75/1067771975.db2.gz QHDDBICQBBCHEF-UHFFFAOYSA-N 0 0 474.589 0.662 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O ZINC000608913063 1067771996 /nfs/dbraw/zinc/77/19/96/1067771996.db2.gz QQCXYALXORNUBN-UHFFFAOYSA-N 0 0 466.560 0.017 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000608913066 1067771966 /nfs/dbraw/zinc/77/19/66/1067771966.db2.gz QVNBKWWXOTZDQO-UHFFFAOYSA-N 0 0 486.550 0.740 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608913072 1067771985 /nfs/dbraw/zinc/77/19/85/1067771985.db2.gz RAENMJSBJCYXIR-UHFFFAOYSA-N 0 0 462.597 0.043 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608913074 1067772015 /nfs/dbraw/zinc/77/20/15/1067772015.db2.gz RARYXRYNIMBMSG-UHFFFAOYSA-N 0 0 480.637 0.209 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913080 1067772034 /nfs/dbraw/zinc/77/20/34/1067772034.db2.gz REGFOMPYUCUILS-UHFFFAOYSA-N 0 0 462.597 0.051 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608913088 1067772050 /nfs/dbraw/zinc/77/20/50/1067772050.db2.gz RYVDNCVBDDUBRS-UHFFFAOYSA-N 0 0 498.586 0.609 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913090 1067772378 /nfs/dbraw/zinc/77/23/78/1067772378.db2.gz SKDFHMIDDNHACI-UHFFFAOYSA-N 0 0 483.015 0.532 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000608913092 1067772390 /nfs/dbraw/zinc/77/23/90/1067772390.db2.gz SOURABUMPNFYNR-UHFFFAOYSA-N 0 0 468.560 0.601 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000608913103 1067772357 /nfs/dbraw/zinc/77/23/57/1067772357.db2.gz UIMHNSXKMCUXTJ-UHFFFAOYSA-N 0 0 483.015 0.388 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCNS(C)(=O)=O)c1=O ZINC000608913110 1067772341 /nfs/dbraw/zinc/77/23/41/1067772341.db2.gz USQLRHKWACKWMG-UHFFFAOYSA-N 0 0 482.587 0.909 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000608913113 1067772328 /nfs/dbraw/zinc/77/23/28/1067772328.db2.gz UVCLAMAAZAJGFY-UHFFFAOYSA-N 0 0 486.550 0.740 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000608913124 1067772369 /nfs/dbraw/zinc/77/23/69/1067772369.db2.gz WFBSKVZFLPSFKT-UHFFFAOYSA-N 0 0 466.610 0.082 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c(C)c1 ZINC000608913126 1067772365 /nfs/dbraw/zinc/77/23/65/1067772365.db2.gz WIKZBHHUZGOXJL-UHFFFAOYSA-N 0 0 488.635 0.638 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000608913129 1067772315 /nfs/dbraw/zinc/77/23/15/1067772315.db2.gz WXOQVJMIOCRSTA-UHFFFAOYSA-N 0 0 498.542 0.753 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000608913134 1067772334 /nfs/dbraw/zinc/77/23/34/1067772334.db2.gz XUFSAXZOQYXILZ-UHFFFAOYSA-N 0 0 474.589 0.662 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCNS(C)(=O)=O)c1=O ZINC000608913138 1067772298 /nfs/dbraw/zinc/77/22/98/1067772298.db2.gz YAUDOXMSZZINIF-UHFFFAOYSA-N 0 0 474.608 0.329 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCNS(C)(=O)=O ZINC000608913142 1067772273 /nfs/dbraw/zinc/77/22/73/1067772273.db2.gz YEMVBPFRMXLQSY-UHFFFAOYSA-N 0 0 468.988 0.142 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608913145 1067772291 /nfs/dbraw/zinc/77/22/91/1067772291.db2.gz YKKIYKLRZZKJHN-UHFFFAOYSA-N 0 0 462.597 0.043 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608913147 1067772353 /nfs/dbraw/zinc/77/23/53/1067772353.db2.gz YQCYOFYQCPVRDP-UHFFFAOYSA-N 0 0 490.607 0.029 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913152 1067772321 /nfs/dbraw/zinc/77/23/21/1067772321.db2.gz ZJZZPRADPDYLIY-UHFFFAOYSA-N 0 0 468.988 0.142 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000608923215 1067774810 /nfs/dbraw/zinc/77/48/10/1067774810.db2.gz CLZPKLAKVBYYNJ-UHFFFAOYSA-N 0 0 462.576 0.496 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000608923267 1067774734 /nfs/dbraw/zinc/77/47/34/1067774734.db2.gz LXPAYNMGIGJKDG-UHFFFAOYSA-N 0 0 477.547 0.215 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000608923350 1067774745 /nfs/dbraw/zinc/77/47/45/1067774745.db2.gz VDGJVSJIKXSFCL-UHFFFAOYSA-N 0 0 471.587 0.515 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000608923387 1067774831 /nfs/dbraw/zinc/77/48/31/1067774831.db2.gz CSFGHOWKMURAQO-FQEVSTJZSA-N 0 0 461.588 0.188 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000608923388 1067774852 /nfs/dbraw/zinc/77/48/52/1067774852.db2.gz CSFGHOWKMURAQO-HXUWFJFHSA-N 0 0 461.588 0.188 20 30 JCEDRN N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc2)c1N ZINC000608925147 1067774827 /nfs/dbraw/zinc/77/48/27/1067774827.db2.gz SHVYRQBKDPXLST-UHFFFAOYSA-N 0 0 465.495 0.699 20 30 JCEDRN N#Cc1cnn(-c2ccc(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)c1N ZINC000608925158 1067774817 /nfs/dbraw/zinc/77/48/17/1067774817.db2.gz UMCXGUHSYSMWQV-UHFFFAOYSA-N 0 0 480.554 0.603 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)C[C@H](C)O1 ZINC000608925162 1067774722 /nfs/dbraw/zinc/77/47/22/1067774722.db2.gz UOCZZENQDRCDPM-HOTGVXAUSA-N 0 0 473.559 0.438 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)C[C@@H](C)O1 ZINC000608925169 1067774861 /nfs/dbraw/zinc/77/48/61/1067774861.db2.gz UOCZZENQDRCDPM-HZPDHXFCSA-N 0 0 473.559 0.438 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)C[C@H](C)O1 ZINC000608925170 1067774754 /nfs/dbraw/zinc/77/47/54/1067774754.db2.gz UOCZZENQDRCDPM-IYBDPMFKSA-N 0 0 473.559 0.438 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)nc1 ZINC000608951119 1067776716 /nfs/dbraw/zinc/77/67/16/1067776716.db2.gz RNNYMXOAMAVPKS-UHFFFAOYSA-N 0 0 468.539 0.473 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)nc1 ZINC000608951154 1067776621 /nfs/dbraw/zinc/77/66/21/1067776621.db2.gz UMGCWUMRCRLKNO-UHFFFAOYSA-N 0 0 468.539 0.473 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000608951185 1067777031 /nfs/dbraw/zinc/77/70/31/1067777031.db2.gz XCZBEIJNCBUIGO-UHFFFAOYSA-N 0 0 458.544 0.711 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000608951851 1067776784 /nfs/dbraw/zinc/77/67/84/1067776784.db2.gz YDHQGEYFQJVBFM-UHFFFAOYSA-N 0 0 472.571 0.931 20 30 JCEDRN N#CCCn1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608961714 1067775905 /nfs/dbraw/zinc/77/59/05/1067775905.db2.gz ANHTYNTXMKAPFL-UHFFFAOYSA-N 0 0 464.446 0.343 20 30 JCEDRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000608967457 1067775955 /nfs/dbraw/zinc/77/59/55/1067775955.db2.gz QJZAAODPGQDKPV-AWEZNQCLSA-N 0 0 450.542 0.964 20 30 JCEDRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000608967461 1067775894 /nfs/dbraw/zinc/77/58/94/1067775894.db2.gz QJZAAODPGQDKPV-CQSZACIVSA-N 0 0 450.542 0.964 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)nc1 ZINC000608969763 1067775842 /nfs/dbraw/zinc/77/58/42/1067775842.db2.gz KUDWLAPYHLWCEC-UHFFFAOYSA-N 0 0 470.555 0.836 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608971848 1067776183 /nfs/dbraw/zinc/77/61/83/1067776183.db2.gz TWLLWSIUNLBTTE-UHFFFAOYSA-N 0 0 470.860 0.849 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608972102 1067776269 /nfs/dbraw/zinc/77/62/69/1067776269.db2.gz XZOCJEMRVNWOQJ-UHFFFAOYSA-N 0 0 488.875 0.333 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000608972108 1067776304 /nfs/dbraw/zinc/77/63/04/1067776304.db2.gz YELJEXGCODSPEO-UHFFFAOYSA-N 0 0 470.860 0.873 20 30 JCEDRN Cn1c(NC[C@@H](O)COc2ccc(I)cc2)c(C#N)c(=O)n(C)c1=O ZINC000608973369 1067776214 /nfs/dbraw/zinc/77/62/14/1067776214.db2.gz LVVYXVZYLMKWCF-LLVKDONJSA-N 0 0 456.240 0.412 20 30 JCEDRN Cn1c(NC[C@H](O)COc2ccc(I)cc2)c(C#N)c(=O)n(C)c1=O ZINC000608973370 1067776223 /nfs/dbraw/zinc/77/62/23/1067776223.db2.gz LVVYXVZYLMKWCF-NSHDSACASA-N 0 0 456.240 0.412 20 30 JCEDRN N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 ZINC000608980454 1067776757 /nfs/dbraw/zinc/77/67/57/1067776757.db2.gz BNBAUCCKPPMFHU-UHFFFAOYSA-N 0 0 491.595 0.921 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000608981973 1067776769 /nfs/dbraw/zinc/77/67/69/1067776769.db2.gz WDLFSZFXQQQAFW-JOCHJYFZSA-N 0 0 484.538 0.964 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000608982032 1067776605 /nfs/dbraw/zinc/77/66/05/1067776605.db2.gz WDLFSZFXQQQAFW-QFIPXVFZSA-N 0 0 484.538 0.964 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)nc1 ZINC000608983404 1067776735 /nfs/dbraw/zinc/77/67/35/1067776735.db2.gz ABTOMSMRIQVEPG-UHFFFAOYSA-N 0 0 498.613 0.768 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)nc1 ZINC000608983658 1067776545 /nfs/dbraw/zinc/77/65/45/1067776545.db2.gz GAHXALPMIOEOEP-UHFFFAOYSA-N 0 0 461.526 0.993 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000608990021 1067779088 /nfs/dbraw/zinc/77/90/88/1067779088.db2.gz HXNVIBMCTQLOPT-UHFFFAOYSA-N 0 0 470.555 0.719 20 30 JCEDRN CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000608990979 1067779045 /nfs/dbraw/zinc/77/90/45/1067779045.db2.gz BPNPQOKESLMNHT-UHFFFAOYSA-N 0 0 470.555 0.670 20 30 JCEDRN CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000608991865 1067779032 /nfs/dbraw/zinc/77/90/32/1067779032.db2.gz PEAPOCXBEYPQII-UHFFFAOYSA-N 0 0 470.555 0.670 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)C[C@H](C)O1 ZINC000608992144 1067779135 /nfs/dbraw/zinc/77/91/35/1067779135.db2.gz WRPYWHUYCARJBW-HDICACEKSA-N 0 0 491.618 0.603 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)C[C@@H](C)O1 ZINC000608992145 1067779079 /nfs/dbraw/zinc/77/90/79/1067779079.db2.gz WRPYWHUYCARJBW-QZTJIDSGSA-N 0 0 491.618 0.603 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)C[C@H](C)O1 ZINC000608992146 1067779391 /nfs/dbraw/zinc/77/93/91/1067779391.db2.gz WRPYWHUYCARJBW-ROUUACIJSA-N 0 0 491.618 0.603 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)CC2)nc1 ZINC000608994506 1067779348 /nfs/dbraw/zinc/77/93/48/1067779348.db2.gz PSLJRGQTPNCBAR-UHFFFAOYSA-N 0 0 487.542 0.330 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 ZINC000609001784 1067777410 /nfs/dbraw/zinc/77/74/10/1067777410.db2.gz NVUKAZLWOLSDFG-UHFFFAOYSA-N 0 0 463.546 0.750 20 30 JCEDRN COc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1-n1nnnc1C ZINC000609005004 1067777690 /nfs/dbraw/zinc/77/76/90/1067777690.db2.gz HDMQVEOHCDPOKX-UHFFFAOYSA-N 0 0 461.486 0.970 20 30 JCEDRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000609005072 1067777775 /nfs/dbraw/zinc/77/77/75/1067777775.db2.gz JLJGTRBBEPMKEL-UHFFFAOYSA-N 0 0 486.554 0.936 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 ZINC000609005499 1067777661 /nfs/dbraw/zinc/77/76/61/1067777661.db2.gz NNPFPTHZDPSSTG-UHFFFAOYSA-N 0 0 498.565 0.698 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000609005518 1067777669 /nfs/dbraw/zinc/77/76/69/1067777669.db2.gz NWHIUBONNQNFOO-UHFFFAOYSA-N 0 0 499.597 0.993 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc1 ZINC000609005530 1067777733 /nfs/dbraw/zinc/77/77/33/1067777733.db2.gz OBCWLMRTGXRMLV-UHFFFAOYSA-N 0 0 498.565 0.698 20 30 JCEDRN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000609005576 1067777786 /nfs/dbraw/zinc/77/77/86/1067777786.db2.gz PLNFDWDSBLDINA-UHFFFAOYSA-N 0 0 478.509 0.970 20 30 JCEDRN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)ccc1C ZINC000609005736 1067777765 /nfs/dbraw/zinc/77/77/65/1067777765.db2.gz USYYALJFPSKEEN-UHFFFAOYSA-N 0 0 456.528 0.894 20 30 JCEDRN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 ZINC000609005799 1067777644 /nfs/dbraw/zinc/77/76/44/1067777644.db2.gz YMZKAOFFURWFFR-UHFFFAOYSA-N 0 0 489.580 0.993 20 30 JCEDRN N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)nc1 ZINC000609005821 1067777620 /nfs/dbraw/zinc/77/76/20/1067777620.db2.gz XYEPJHFYWRXJJH-UHFFFAOYSA-N 0 0 491.552 0.948 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000609005869 1067777627 /nfs/dbraw/zinc/77/76/27/1067777627.db2.gz YVZJCSKLRQZVBI-UHFFFAOYSA-N 0 0 456.528 0.927 20 30 JCEDRN COc1cc([C@@H](C#N)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC ZINC000609006978 1067777712 /nfs/dbraw/zinc/77/77/12/1067777712.db2.gz ZVLVVTQXQVTSHW-CYBMUJFWSA-N 0 0 456.459 0.231 20 30 JCEDRN COc1cc([C@H](C#N)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC ZINC000609006979 1067778119 /nfs/dbraw/zinc/77/81/19/1067778119.db2.gz ZVLVVTQXQVTSHW-ZDUSSCGKSA-N 0 0 456.459 0.231 20 30 JCEDRN COc1cc([C@H](C#N)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1OC ZINC000609008078 1067777995 /nfs/dbraw/zinc/77/79/95/1067777995.db2.gz ZJSKPIJJGDNKPC-AWEZNQCLSA-N 0 0 451.505 0.804 20 30 JCEDRN COc1cc([C@@H](C#N)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1OC ZINC000609008081 1067778092 /nfs/dbraw/zinc/77/80/92/1067778092.db2.gz ZJSKPIJJGDNKPC-CQSZACIVSA-N 0 0 451.505 0.804 20 30 JCEDRN COc1cc([C@H](C#N)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc(OC)c1OC ZINC000609008259 1067778111 /nfs/dbraw/zinc/77/81/11/1067778111.db2.gz WCUQZOAHXFVKLW-KRWDZBQOSA-N 0 0 488.522 0.828 20 30 JCEDRN COc1cc([C@@H](C#N)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc(OC)c1OC ZINC000609008260 1067778097 /nfs/dbraw/zinc/77/80/97/1067778097.db2.gz WCUQZOAHXFVKLW-QGZVFWFLSA-N 0 0 488.522 0.828 20 30 JCEDRN CN(CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609008477 1067778021 /nfs/dbraw/zinc/77/80/21/1067778021.db2.gz GOBUNXOGHBGTNQ-UHFFFAOYSA-N 0 0 458.544 0.581 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 ZINC000609019270 1067781788 /nfs/dbraw/zinc/78/17/88/1067781788.db2.gz GTASDNATMPGKMV-UHFFFAOYSA-N 0 0 453.484 0.864 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(-c4ncccn4)no3)CC2)cc1 ZINC000609019295 1067781825 /nfs/dbraw/zinc/78/18/25/1067781825.db2.gz IKSWPEJTHZCJQR-UHFFFAOYSA-N 0 0 453.484 0.864 20 30 JCEDRN CN(CC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609021670 1067730157 /nfs/dbraw/zinc/73/01/57/1067730157.db2.gz ZYEWPXRMQJHCNM-UHFFFAOYSA-N 0 0 453.484 0.514 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000609026090 1067779449 /nfs/dbraw/zinc/77/94/49/1067779449.db2.gz JZECXYWPNJAWLN-UHFFFAOYSA-N 0 0 491.595 0.749 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000609026108 1067779340 /nfs/dbraw/zinc/77/93/40/1067779340.db2.gz KVLZPQQNTOMTFM-UHFFFAOYSA-N 0 0 476.580 0.730 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609026265 1067779719 /nfs/dbraw/zinc/77/97/19/1067779719.db2.gz WLPKXZIGJBVSET-UHFFFAOYSA-N 0 0 491.595 0.436 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 ZINC000609037007 1067780034 /nfs/dbraw/zinc/78/00/34/1067780034.db2.gz AVDUHLBODLCYHQ-UHFFFAOYSA-N 0 0 471.608 0.993 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2cccs2)c1=O ZINC000609037133 1067780038 /nfs/dbraw/zinc/78/00/38/1067780038.db2.gz HUDLIPRWEWEOHY-UHFFFAOYSA-N 0 0 455.565 0.309 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccs1 ZINC000609037295 1067780138 /nfs/dbraw/zinc/78/01/38/1067780138.db2.gz CQPIXWSSCJBKSK-UHFFFAOYSA-N 0 0 452.561 0.971 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)cc1 ZINC000609038020 1067780182 /nfs/dbraw/zinc/78/01/82/1067780182.db2.gz BYGNILXCRZDIPP-UHFFFAOYSA-N 0 0 476.558 0.918 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(CCc2cccnc2)c1=O ZINC000609038058 1067780088 /nfs/dbraw/zinc/78/00/88/1067780088.db2.gz CKAFLXCQYJLXIR-UHFFFAOYSA-N 0 0 457.519 0.818 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCc1cccnc1 ZINC000609038059 1067780075 /nfs/dbraw/zinc/78/00/75/1067780075.db2.gz CKTCWJHIRHPUGO-UHFFFAOYSA-N 0 0 452.511 0.952 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2CCc2cccnc2)CC1 ZINC000609038122 1067780101 /nfs/dbraw/zinc/78/01/01/1067780101.db2.gz FSWNLINJCFAOQH-UHFFFAOYSA-N 0 0 494.646 0.980 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCc1cccnc1 ZINC000609038133 1067780752 /nfs/dbraw/zinc/78/07/52/1067780752.db2.gz GLAFNERZMDINEG-UHFFFAOYSA-N 0 0 494.573 0.830 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)c1 ZINC000609038179 1067780795 /nfs/dbraw/zinc/78/07/95/1067780795.db2.gz IGYMAYMVQBMAJV-UHFFFAOYSA-N 0 0 476.558 0.918 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1cccnc1 ZINC000609038209 1067780765 /nfs/dbraw/zinc/78/07/65/1067780765.db2.gz JGPLQCCKIZBEMN-UHFFFAOYSA-N 0 0 479.518 0.721 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1cccnc1 ZINC000609038242 1067780778 /nfs/dbraw/zinc/78/07/78/1067780778.db2.gz KLIRAJCRJSHJKW-UHFFFAOYSA-N 0 0 492.557 0.932 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1cccnc1 ZINC000609038251 1067780712 /nfs/dbraw/zinc/78/07/12/1067780712.db2.gz KRJDOADRGZYNJQ-UHFFFAOYSA-N 0 0 478.530 0.542 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1CCc1cccnc1 ZINC000609038262 1067780721 /nfs/dbraw/zinc/78/07/21/1067780721.db2.gz KJGKWRLGALXHLG-UHFFFAOYSA-N 0 0 452.561 0.971 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCc3cccnc3)c2=O)o1 ZINC000609038263 1067780678 /nfs/dbraw/zinc/78/06/78/1067780678.db2.gz KNUFTCVLEYDCBA-UHFFFAOYSA-N 0 0 493.589 0.400 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCc1cccnc1 ZINC000609038274 1067780759 /nfs/dbraw/zinc/78/07/59/1067780759.db2.gz KXEWHEFWSPNOHO-UHFFFAOYSA-N 0 0 494.573 0.830 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCc2cccnc2)CC1 ZINC000609038291 1067780800 /nfs/dbraw/zinc/78/08/00/1067780800.db2.gz LMHJVRGXTXAQKO-UHFFFAOYSA-N 0 0 474.590 0.610 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CCc1cccnc1 ZINC000609038307 1067780740 /nfs/dbraw/zinc/78/07/40/1067780740.db2.gz MCMDLCVMYFKEAA-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 ZINC000609038334 1067780685 /nfs/dbraw/zinc/78/06/85/1067780685.db2.gz MUKMJYIFFYALKU-UHFFFAOYSA-N 0 0 480.594 0.715 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCc1cccnc1 ZINC000609038361 1067780790 /nfs/dbraw/zinc/78/07/90/1067780790.db2.gz NPIVREXSJGPPSR-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCc1cccnc1 ZINC000609038401 1067780729 /nfs/dbraw/zinc/78/07/29/1067780729.db2.gz CKJPVCPLKVAUMT-UHFFFAOYSA-N 0 0 493.501 0.476 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1cccnc1 ZINC000609038440 1067780461 /nfs/dbraw/zinc/78/04/61/1067780461.db2.gz DFDXWFKDQLAGPQ-UHFFFAOYSA-N 0 0 479.518 0.721 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCc1cccnc1 ZINC000609038465 1067780475 /nfs/dbraw/zinc/78/04/75/1067780475.db2.gz PEOIVPARMXSVTA-UHFFFAOYSA-N 0 0 490.541 0.638 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccnc1 ZINC000609038474 1067780395 /nfs/dbraw/zinc/78/03/95/1067780395.db2.gz GPQSCHQUVYMVGA-UHFFFAOYSA-N 0 0 496.614 0.980 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCc1cccnc1 ZINC000609038510 1067780483 /nfs/dbraw/zinc/78/04/83/1067780483.db2.gz PYUGARLRCIIYNR-UHFFFAOYSA-N 0 0 482.537 0.961 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 ZINC000609038512 1067780815 /nfs/dbraw/zinc/78/08/15/1067780815.db2.gz PZJGULZKCUBKRQ-UHFFFAOYSA-N 0 0 463.563 0.988 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1cccnc1 ZINC000609038522 1067780672 /nfs/dbraw/zinc/78/06/72/1067780672.db2.gz QIGLGNKLKSOCOL-UHFFFAOYSA-N 0 0 491.529 0.818 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCc1cccnc1 ZINC000609038533 1067780747 /nfs/dbraw/zinc/78/07/47/1067780747.db2.gz QJPNNMIUCQDKRU-UHFFFAOYSA-N 0 0 492.557 0.600 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCc1cccnc1 ZINC000609038603 1067780438 /nfs/dbraw/zinc/78/04/38/1067780438.db2.gz SSPGUFBUWLGAIQ-UHFFFAOYSA-N 0 0 469.592 0.968 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2CCc2cccnc2)CC1 ZINC000609038613 1067780381 /nfs/dbraw/zinc/78/03/81/1067780381.db2.gz UDPZRXRJXGNLCA-UHFFFAOYSA-N 0 0 474.590 0.610 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 ZINC000609038682 1067780368 /nfs/dbraw/zinc/78/03/68/1067780368.db2.gz VFULAHFSAXZAGB-UHFFFAOYSA-N 0 0 466.567 0.327 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCc1cccnc1 ZINC000609038691 1067780468 /nfs/dbraw/zinc/78/04/68/1067780468.db2.gz JOBMWASPAITCNY-UHFFFAOYSA-N 0 0 491.573 0.772 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccnc1 ZINC000609038696 1067780358 /nfs/dbraw/zinc/78/03/58/1067780358.db2.gz JUZQKJLHKGRERA-UHFFFAOYSA-N 0 0 468.560 0.200 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCc1cccnc1 ZINC000609038710 1067780498 /nfs/dbraw/zinc/78/04/98/1067780498.db2.gz WNKCOPIGMFYPPB-UHFFFAOYSA-N 0 0 452.561 0.971 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)o1 ZINC000609038727 1067780430 /nfs/dbraw/zinc/78/04/30/1067780430.db2.gz WUMXVARKTYXNMT-UHFFFAOYSA-N 0 0 450.520 0.811 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccnc1 ZINC000609038737 1067780492 /nfs/dbraw/zinc/78/04/92/1067780492.db2.gz KVNWDVHTCIZZJT-UHFFFAOYSA-N 0 0 494.598 0.756 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCc1cccnc1 ZINC000609038761 1067780454 /nfs/dbraw/zinc/78/04/54/1067780454.db2.gz LPBNBFFBDPMUFW-UHFFFAOYSA-N 0 0 492.557 0.584 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCc1cccnc1 ZINC000609038765 1067780519 /nfs/dbraw/zinc/78/05/19/1067780519.db2.gz YJWKVZAWPNDNKN-UHFFFAOYSA-N 0 0 495.630 0.560 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 ZINC000609038774 1067780410 /nfs/dbraw/zinc/78/04/10/1067780410.db2.gz YQXSREFOCFBBJA-UHFFFAOYSA-N 0 0 489.601 0.499 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccnc1 ZINC000609038827 1067780417 /nfs/dbraw/zinc/78/04/17/1067780417.db2.gz NDKZHHFCSPEEMV-UHFFFAOYSA-N 0 0 479.562 0.092 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCc1cccnc1 ZINC000609038840 1067780403 /nfs/dbraw/zinc/78/04/03/1067780403.db2.gz XQMDQHXBYQTIPI-UHFFFAOYSA-N 0 0 485.547 0.783 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1CCc1cccnc1 ZINC000609038845 1067780424 /nfs/dbraw/zinc/78/04/24/1067780424.db2.gz NRLGEEAJVPIVBR-UHFFFAOYSA-N 0 0 453.549 0.366 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCc3cccnc3)c2=O)cs1 ZINC000609038860 1067780509 /nfs/dbraw/zinc/78/05/09/1067780509.db2.gz OFMPXJNZMPLARW-UHFFFAOYSA-N 0 0 469.592 0.832 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)cs1 ZINC000609038871 1067780062 /nfs/dbraw/zinc/78/00/62/1067780062.db2.gz OXTJOFJZUZCEEA-UHFFFAOYSA-N 0 0 481.603 0.928 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2CCc2cccnc2)CC1 ZINC000609038919 1067780045 /nfs/dbraw/zinc/78/00/45/1067780045.db2.gz QGSUBNSYBQDZEV-UHFFFAOYSA-N 0 0 463.563 0.808 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCc1cccnc1 ZINC000609038943 1067780168 /nfs/dbraw/zinc/78/01/68/1067780168.db2.gz SCQYYWLKJQRBRT-UHFFFAOYSA-N 0 0 452.511 0.952 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCc1cccnc1 ZINC000609038948 1067780027 /nfs/dbraw/zinc/78/00/27/1067780027.db2.gz SOWAEBAZRKNXFZ-UHFFFAOYSA-N 0 0 455.565 0.660 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1cccnc1 ZINC000609038988 1067780445 /nfs/dbraw/zinc/78/04/45/1067780445.db2.gz VNNJYNWHYZVTCV-UHFFFAOYSA-N 0 0 479.518 0.721 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCc1cccnc1 ZINC000609039007 1067780056 /nfs/dbraw/zinc/78/00/56/1067780056.db2.gz XBWUJIZXXOGHJP-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCc1cccnc1 ZINC000609039029 1067780094 /nfs/dbraw/zinc/78/00/94/1067780094.db2.gz YXPSLWRABFCKNP-UHFFFAOYSA-N 0 0 496.614 0.979 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCc1cccnc1 ZINC000609039031 1067780808 /nfs/dbraw/zinc/78/08/08/1067780808.db2.gz ZDZDQGOWSRTLKE-UHFFFAOYSA-N 0 0 480.546 0.822 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1cccnc1 ZINC000609039033 1067780772 /nfs/dbraw/zinc/78/07/72/1067780772.db2.gz ZGQXYMZHUFZRKG-UHFFFAOYSA-N 0 0 491.529 0.818 20 30 JCEDRN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F ZINC000609050058 1067781777 /nfs/dbraw/zinc/78/17/77/1067781777.db2.gz IYBFCAJZMRJILH-UHFFFAOYSA-N 0 0 498.500 0.453 20 30 JCEDRN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1F ZINC000609050198 1067781863 /nfs/dbraw/zinc/78/18/63/1067781863.db2.gz NKWNCSKLXSSZMM-UHFFFAOYSA-N 0 0 498.500 0.453 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000609052916 1067781750 /nfs/dbraw/zinc/78/17/50/1067781750.db2.gz PYKJEPMCXTYHOP-UHFFFAOYSA-N 0 0 457.512 0.762 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000609053287 1067782216 /nfs/dbraw/zinc/78/22/16/1067782216.db2.gz AMUWFOCZVTUVOD-UHFFFAOYSA-N 0 0 492.579 0.720 20 30 JCEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)o2)cc1 ZINC000609069909 1067785261 /nfs/dbraw/zinc/78/52/61/1067785261.db2.gz LKWGHSXQEYGSRH-UHFFFAOYSA-N 0 0 452.467 0.873 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000609074358 1067786311 /nfs/dbraw/zinc/78/63/11/1067786311.db2.gz CVDNONNJLJAEHC-UHFFFAOYSA-N 0 0 454.430 0.323 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000609074367 1067786356 /nfs/dbraw/zinc/78/63/56/1067786356.db2.gz FMLRYXIFBUXZGO-UHFFFAOYSA-N 0 0 452.414 0.099 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O ZINC000609074404 1067786728 /nfs/dbraw/zinc/78/67/28/1067786728.db2.gz KXGLUNSVPIMHNN-UHFFFAOYSA-N 0 0 458.421 0.954 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(F)c(F)c(F)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000609074439 1067786680 /nfs/dbraw/zinc/78/66/80/1067786680.db2.gz NCERALBLVATDNV-UHFFFAOYSA-N 0 0 489.479 0.895 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(F)c(F)c(F)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000609074442 1067786607 /nfs/dbraw/zinc/78/66/07/1067786607.db2.gz NNMXRJOWXWKWOB-UHFFFAOYSA-N 0 0 477.468 0.798 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000609074453 1067786624 /nfs/dbraw/zinc/78/66/24/1067786624.db2.gz NZCCRWLSCYFAET-UHFFFAOYSA-N 0 0 454.430 0.321 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000609074497 1067786672 /nfs/dbraw/zinc/78/66/72/1067786672.db2.gz GOLLRMIXNGAXCJ-UHFFFAOYSA-N 0 0 480.512 0.689 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000609074498 1067786719 /nfs/dbraw/zinc/78/67/19/1067786719.db2.gz RQXKOGJFQIPFSL-UHFFFAOYSA-N 0 0 468.457 0.569 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000609074510 1067786791 /nfs/dbraw/zinc/78/67/91/1067786791.db2.gz CZTMSEMCHZDVJS-UHFFFAOYSA-N 0 0 482.484 0.926 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000609074578 1067786690 /nfs/dbraw/zinc/78/66/90/1067786690.db2.gz JDAAAZKHEIOGLM-UHFFFAOYSA-N 0 0 480.512 0.687 20 30 JCEDRN CCn1c(=O)c(=Cc2cccc(OC(F)(F)F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609074584 1067786704 /nfs/dbraw/zinc/78/67/04/1067786704.db2.gz GXKBPUHTKWSEIL-UHFFFAOYSA-N 0 0 496.511 0.780 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609074609 1067786699 /nfs/dbraw/zinc/78/66/99/1067786699.db2.gz XVAMRAJWGGEQRJ-UHFFFAOYSA-N 0 0 458.421 0.664 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000609074619 1067786292 /nfs/dbraw/zinc/78/62/92/1067786292.db2.gz HQOIYBMKIBIVDM-UHFFFAOYSA-N 0 0 466.485 0.691 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(N)=O ZINC000609074626 1067786429 /nfs/dbraw/zinc/78/64/29/1067786429.db2.gz YQTUBCHNZLLPPU-UHFFFAOYSA-N 0 0 466.441 0.419 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000609074646 1067786333 /nfs/dbraw/zinc/78/63/33/1067786333.db2.gz IRQLPBRIZHYVDO-UHFFFAOYSA-N 0 0 450.442 0.197 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000609074700 1067786616 /nfs/dbraw/zinc/78/66/16/1067786616.db2.gz KLNLRJCSMVDFFS-UHFFFAOYSA-N 0 0 452.458 0.443 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(OC(F)(F)F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000609074727 1067786641 /nfs/dbraw/zinc/78/66/41/1067786641.db2.gz LAMQIUZXDZIJND-UHFFFAOYSA-N 0 0 480.468 0.678 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000609074753 1067786649 /nfs/dbraw/zinc/78/66/49/1067786649.db2.gz MIUVGQRPCKTNGJ-UHFFFAOYSA-N 0 0 482.484 0.071 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609074757 1067786750 /nfs/dbraw/zinc/78/67/50/1067786750.db2.gz PJMKWKUBQKZRCR-UHFFFAOYSA-N 0 0 480.512 0.689 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000609074780 1067786477 /nfs/dbraw/zinc/78/64/77/1067786477.db2.gz NOXBTQWPZOVGPV-UHFFFAOYSA-N 0 0 466.485 0.835 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000609074831 1067786271 /nfs/dbraw/zinc/78/62/71/1067786271.db2.gz SQSNCDYPJPJTGR-UHFFFAOYSA-N 0 0 492.523 0.785 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C1CC1 ZINC000609074844 1067786369 /nfs/dbraw/zinc/78/63/69/1067786369.db2.gz QCLSXJAWWMYHEL-UHFFFAOYSA-N 0 0 478.496 0.613 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609074850 1067786468 /nfs/dbraw/zinc/78/64/68/1067786468.db2.gz QXMRWQMITYYSJQ-UHFFFAOYSA-N 0 0 466.485 0.298 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000609074854 1067786283 /nfs/dbraw/zinc/78/62/83/1067786283.db2.gz RLKHQWGQHUWZIJ-UHFFFAOYSA-N 0 0 452.458 0.445 20 30 JCEDRN Cn1c(=O)c(=Cc2cccc(OC(F)(F)F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609074930 1067786323 /nfs/dbraw/zinc/78/63/23/1067786323.db2.gz UFEHEHGBOQKWCJ-UHFFFAOYSA-N 0 0 482.484 0.297 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000609074964 1067786457 /nfs/dbraw/zinc/78/64/57/1067786457.db2.gz VVCATSBBSDHJMU-UHFFFAOYSA-N 0 0 498.483 0.162 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000609074989 1067786383 /nfs/dbraw/zinc/78/63/83/1067786383.db2.gz YYHGVOIVIIJJPF-UHFFFAOYSA-N 0 0 496.511 0.461 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000609074990 1067786487 /nfs/dbraw/zinc/78/64/87/1067786487.db2.gz YZSHGFUJBINJNR-UHFFFAOYSA-N 0 0 464.469 0.541 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000609074998 1067786394 /nfs/dbraw/zinc/78/63/94/1067786394.db2.gz ZUYRCYZBGJSJGJ-UHFFFAOYSA-N 0 0 478.496 0.977 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000609075003 1067786343 /nfs/dbraw/zinc/78/63/43/1067786343.db2.gz ZXCXUZKCEBJURC-UHFFFAOYSA-N 0 0 482.484 0.924 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000609075004 1067786299 /nfs/dbraw/zinc/78/62/99/1067786299.db2.gz ZXSGHVZNIUKZGH-UHFFFAOYSA-N 0 0 467.469 0.725 20 30 JCEDRN CC(=O)N1CCN(CCOc2ccc(CCNc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)CC1 ZINC000609075234 1067787068 /nfs/dbraw/zinc/78/70/68/1067787068.db2.gz YYARINWKJZBLQL-UHFFFAOYSA-N 0 0 454.531 0.153 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)CC1 ZINC000609076822 1067787107 /nfs/dbraw/zinc/78/71/07/1067787107.db2.gz VIFZWZZCYWSEBL-UHFFFAOYSA-N 0 0 473.555 0.980 20 30 JCEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 ZINC000609085377 1067788309 /nfs/dbraw/zinc/78/83/09/1067788309.db2.gz CPKMYLQCFMNAOQ-UHFFFAOYSA-N 0 0 471.420 0.987 20 30 JCEDRN COCCOc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609086730 1067788378 /nfs/dbraw/zinc/78/83/78/1067788378.db2.gz WWJQWBNTGVWJFM-UHFFFAOYSA-N 0 0 473.511 0.450 20 30 JCEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000609086860 1067788435 /nfs/dbraw/zinc/78/84/35/1067788435.db2.gz FCMDMTTYGZNVMT-UHFFFAOYSA-N 0 0 451.430 0.101 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000609090511 1067789238 /nfs/dbraw/zinc/78/92/38/1067789238.db2.gz BKXTVQOMWAPAAF-UHFFFAOYSA-N 0 0 480.554 0.812 20 30 JCEDRN CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 ZINC000609091339 1067789466 /nfs/dbraw/zinc/78/94/66/1067789466.db2.gz DPAFHQZJGYBAGR-UHFFFAOYSA-N 0 0 450.542 0.776 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000609091378 1067789430 /nfs/dbraw/zinc/78/94/30/1067789430.db2.gz HQQGOYYAVAHGRV-UHFFFAOYSA-N 0 0 463.560 0.435 20 30 JCEDRN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)NCC#N ZINC000609091717 1067789566 /nfs/dbraw/zinc/78/95/66/1067789566.db2.gz SYQXZXXRPJEALD-UHFFFAOYSA-N 0 0 491.595 0.985 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000609092055 1067789387 /nfs/dbraw/zinc/78/93/87/1067789387.db2.gz SDQBGGPBWZQYRS-UHFFFAOYSA-N 0 0 465.539 0.793 20 30 JCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000609097409 1067790150 /nfs/dbraw/zinc/79/01/50/1067790150.db2.gz ZDMUYWLRDYEUQK-KRWDZBQOSA-N 0 0 457.512 0.752 20 30 JCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000609097411 1067790158 /nfs/dbraw/zinc/79/01/58/1067790158.db2.gz ZDMUYWLRDYEUQK-QGZVFWFLSA-N 0 0 457.512 0.752 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)CC1 ZINC000609101986 1067790517 /nfs/dbraw/zinc/79/05/17/1067790517.db2.gz JAZJZJIRKKKKQD-UHFFFAOYSA-N 0 0 477.568 0.209 20 30 JCEDRN Cc1nnc(SCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(N)=O ZINC000609115072 1067792707 /nfs/dbraw/zinc/79/27/07/1067792707.db2.gz GHUYHASUTWKCFQ-UHFFFAOYSA-N 0 0 456.488 0.632 20 30 JCEDRN N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc5c(c4)CC(=O)N5)CC3)C2=O)cc1 ZINC000609121487 1067732699 /nfs/dbraw/zinc/73/26/99/1067732699.db2.gz BJCNZUPBYCFAHB-FQEVSTJZSA-N 0 0 479.518 0.691 20 30 JCEDRN N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc5c(c4)CC(=O)N5)CC3)C2=O)cc1 ZINC000609121488 1067732652 /nfs/dbraw/zinc/73/26/52/1067732652.db2.gz BJCNZUPBYCFAHB-HXUWFJFHSA-N 0 0 479.518 0.691 20 30 JCEDRN N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)C2=O)cc1 ZINC000609121590 1067732587 /nfs/dbraw/zinc/73/25/87/1067732587.db2.gz FLQUTODTQLPACO-IBGZPJMESA-N 0 0 482.518 0.968 20 30 JCEDRN N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)C2=O)cc1 ZINC000609121592 1067794177 /nfs/dbraw/zinc/79/41/77/1067794177.db2.gz FLQUTODTQLPACO-LJQANCHMSA-N 0 0 482.518 0.968 20 30 JCEDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2C#N)cc1 ZINC000609123849 1069597817 /nfs/dbraw/zinc/59/78/17/1069597817.db2.gz QZNRGJJQHMYVGM-UHFFFAOYSA-N 0 0 453.551 0.828 20 30 JCEDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000609128841 1067794974 /nfs/dbraw/zinc/79/49/74/1067794974.db2.gz SMAAAVTXUDPFSE-IBGZPJMESA-N 0 0 455.494 0.641 20 30 JCEDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000609128845 1067795077 /nfs/dbraw/zinc/79/50/77/1067795077.db2.gz PJCPTQJCLUJZPZ-FQEVSTJZSA-N 0 0 451.531 0.811 20 30 JCEDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000609128846 1067795032 /nfs/dbraw/zinc/79/50/32/1067795032.db2.gz SMAAAVTXUDPFSE-LJQANCHMSA-N 0 0 455.494 0.641 20 30 JCEDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000609128847 1067795023 /nfs/dbraw/zinc/79/50/23/1067795023.db2.gz PJCPTQJCLUJZPZ-HXUWFJFHSA-N 0 0 451.531 0.811 20 30 JCEDRN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cnc21 ZINC000609134224 1067795825 /nfs/dbraw/zinc/79/58/25/1067795825.db2.gz KZWFLRGUPSRTNX-UHFFFAOYSA-N 0 0 457.472 0.282 20 30 JCEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000609146872 1067796654 /nfs/dbraw/zinc/79/66/54/1067796654.db2.gz QRIGAYVOQQXERV-GOSISDBHSA-N 0 0 457.579 0.790 20 30 JCEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000609146873 1067796573 /nfs/dbraw/zinc/79/65/73/1067796573.db2.gz QRIGAYVOQQXERV-SFHVURJKSA-N 0 0 457.579 0.790 20 30 JCEDRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000609150452 1067797083 /nfs/dbraw/zinc/79/70/83/1067797083.db2.gz MCDMWCRQCPWURJ-UHFFFAOYSA-N 0 0 471.543 0.768 20 30 JCEDRN COc1ccc(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000609153287 1067805147 /nfs/dbraw/zinc/80/51/47/1067805147.db2.gz MOKORZKGHCCAGV-IBGZPJMESA-N 0 0 464.588 0.951 20 30 JCEDRN COc1ccc(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000609153288 1067805047 /nfs/dbraw/zinc/80/50/47/1067805047.db2.gz MOKORZKGHCCAGV-LJQANCHMSA-N 0 0 464.588 0.951 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)cc2)CC1 ZINC000609153539 1067803313 /nfs/dbraw/zinc/80/33/13/1067803313.db2.gz RLXLOISKJCJFNU-NRFANRHFSA-N 0 0 461.588 0.845 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)cc2)CC1 ZINC000609153542 1067803207 /nfs/dbraw/zinc/80/32/07/1067803207.db2.gz RLXLOISKJCJFNU-OAQYLSRUSA-N 0 0 461.588 0.845 20 30 JCEDRN CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C(=O)C1=O ZINC000609155052 1067806623 /nfs/dbraw/zinc/80/66/23/1067806623.db2.gz HGJCMIXVLMJEDL-KRWDZBQOSA-N 0 0 462.348 0.849 20 30 JCEDRN CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C(=O)C1=O ZINC000609155054 1067806537 /nfs/dbraw/zinc/80/65/37/1067806537.db2.gz HGJCMIXVLMJEDL-QGZVFWFLSA-N 0 0 462.348 0.849 20 30 JCEDRN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609159576 1067816982 /nfs/dbraw/zinc/81/69/82/1067816982.db2.gz SHYLXIYEQNQFFK-FQEVSTJZSA-N 0 0 480.554 0.679 20 30 JCEDRN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609159584 1067817157 /nfs/dbraw/zinc/81/71/57/1067817157.db2.gz SHYLXIYEQNQFFK-HXUWFJFHSA-N 0 0 480.554 0.679 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000609168790 1067835602 /nfs/dbraw/zinc/83/56/02/1067835602.db2.gz JVXDHDJKCYAEKD-HKUYNNGSSA-N 0 0 457.556 0.579 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000609168792 1067836042 /nfs/dbraw/zinc/83/60/42/1067836042.db2.gz JVXDHDJKCYAEKD-IEBWSBKVSA-N 0 0 457.556 0.579 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000609168793 1067835763 /nfs/dbraw/zinc/83/57/63/1067835763.db2.gz JVXDHDJKCYAEKD-MJGOQNOKSA-N 0 0 457.556 0.579 20 30 JCEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000609168794 1067835956 /nfs/dbraw/zinc/83/59/56/1067835956.db2.gz JVXDHDJKCYAEKD-PKOBYXMFSA-N 0 0 457.556 0.579 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000609178289 1067837482 /nfs/dbraw/zinc/83/74/82/1067837482.db2.gz NGUDLQCWVVXHJE-UHFFFAOYSA-N 0 0 470.555 0.905 20 30 JCEDRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000609186103 1067837541 /nfs/dbraw/zinc/83/75/41/1067837541.db2.gz QRWYEPQAVJDGGA-UHFFFAOYSA-N 0 0 464.525 0.136 20 30 JCEDRN COCCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609195019 1067839230 /nfs/dbraw/zinc/83/92/30/1067839230.db2.gz MKYPONBMVVFGKA-UHFFFAOYSA-N 0 0 480.587 0.681 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(N3CCCC3=O)CC2)CC1 ZINC000609196575 1067839934 /nfs/dbraw/zinc/83/99/34/1067839934.db2.gz CGNWAPYIBIWSIJ-UHFFFAOYSA-N 0 0 459.572 0.478 20 30 JCEDRN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609200307 1067840871 /nfs/dbraw/zinc/84/08/71/1067840871.db2.gz UDWAQOMLSMJFHP-IBGZPJMESA-N 0 0 480.554 0.679 20 30 JCEDRN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609200308 1067840777 /nfs/dbraw/zinc/84/07/77/1067840777.db2.gz UDWAQOMLSMJFHP-LJQANCHMSA-N 0 0 480.554 0.679 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000609203936 1067841121 /nfs/dbraw/zinc/84/11/21/1067841121.db2.gz DMXUNOSIGLDFEM-UHFFFAOYSA-N 0 0 472.546 0.245 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CC(C)(C)O4)c(=O)n2C)CC1 ZINC000609219942 1067954305 /nfs/dbraw/zinc/95/43/05/1067954305.db2.gz OAXJSVNKVPPXFJ-UHFFFAOYSA-N 0 0 452.580 0.827 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609220042 1067954741 /nfs/dbraw/zinc/95/47/41/1067954741.db2.gz XSPNYGAENXPYOV-UHFFFAOYSA-N 0 0 468.579 0.112 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)ccc1F ZINC000609220065 1067952146 /nfs/dbraw/zinc/95/21/46/1067952146.db2.gz ATKPGSIRJDRQTB-UHFFFAOYSA-N 0 0 456.543 0.644 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCCC(=O)OC ZINC000609220127 1067952588 /nfs/dbraw/zinc/95/25/88/1067952588.db2.gz GZXQYPSYTJXHHA-UHFFFAOYSA-N 0 0 499.589 0.842 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C ZINC000609220130 1067952654 /nfs/dbraw/zinc/95/26/54/1067952654.db2.gz HGNIYZRCPRWZQH-UHFFFAOYSA-N 0 0 498.605 0.367 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(C)c3)c(=O)n2CC(=O)N(C)C)CC1 ZINC000609220159 1067952683 /nfs/dbraw/zinc/95/26/83/1067952683.db2.gz JMMGUFOHVRVUQW-UHFFFAOYSA-N 0 0 485.585 0.113 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000609220172 1067953098 /nfs/dbraw/zinc/95/30/98/1067953098.db2.gz LLUHRRKWLRFDMT-UHFFFAOYSA-N 0 0 480.590 0.837 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(=O)N(C)C ZINC000609220184 1067953047 /nfs/dbraw/zinc/95/30/47/1067953047.db2.gz MCWNJRNEYYSFTE-UHFFFAOYSA-N 0 0 460.531 0.101 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)NC1CC1 ZINC000609220186 1067953080 /nfs/dbraw/zinc/95/30/80/1067953080.db2.gz MFNIHZNHVPDOCO-UHFFFAOYSA-N 0 0 466.563 0.493 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000609220225 1068016729 /nfs/dbraw/zinc/01/67/29/1068016729.db2.gz PQJKKZRRJGUHMD-UHFFFAOYSA-N 0 0 496.589 0.073 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C ZINC000609220233 1068016783 /nfs/dbraw/zinc/01/67/83/1068016783.db2.gz QHJDJTOAPWGSAT-UHFFFAOYSA-N 0 0 482.606 0.987 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C ZINC000609220242 1068016876 /nfs/dbraw/zinc/01/68/76/1068016876.db2.gz RQNOJTVYLILSSU-UHFFFAOYSA-N 0 0 468.579 0.739 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000609220244 1068016948 /nfs/dbraw/zinc/01/69/48/1068016948.db2.gz AAFSYDYGJQOOSD-KRWDZBQOSA-N 0 0 488.585 0.344 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000609220246 1068016796 /nfs/dbraw/zinc/01/67/96/1068016796.db2.gz AAFSYDYGJQOOSD-QGZVFWFLSA-N 0 0 488.585 0.344 20 30 JCEDRN CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)NCCN4CCOCC4)n(C4CC4)c3=O)ccc2O1 ZINC000609220247 1068016898 /nfs/dbraw/zinc/01/68/98/1068016898.db2.gz SBFYITGJRPCCMB-UHFFFAOYSA-N 0 0 494.617 0.910 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2ccc(F)c(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000609220260 1068016756 /nfs/dbraw/zinc/01/67/56/1068016756.db2.gz SKUGKLIUACRHHW-UHFFFAOYSA-N 0 0 473.526 0.672 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609220311 1068016822 /nfs/dbraw/zinc/01/68/22/1068016822.db2.gz FHHBSTDLRBNUGM-UHFFFAOYSA-N 0 0 496.633 0.985 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C ZINC000609220398 1068016935 /nfs/dbraw/zinc/01/69/35/1068016935.db2.gz XRSSMHYAIVCWRS-UHFFFAOYSA-N 0 0 468.579 0.741 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(=O)N(C)C ZINC000609220410 1068016964 /nfs/dbraw/zinc/01/69/64/1068016964.db2.gz XZTQFMOGYCGVJK-UHFFFAOYSA-N 0 0 474.558 0.491 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)NCCOC ZINC000609220420 1068016276 /nfs/dbraw/zinc/01/62/76/1068016276.db2.gz YOOFDTUZPIZGAB-UHFFFAOYSA-N 0 0 471.579 0.925 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCN1CCOCC1 ZINC000609220452 1068016713 /nfs/dbraw/zinc/01/67/13/1068016713.db2.gz KYSCARVYKLABPN-UHFFFAOYSA-N 0 0 468.579 0.205 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)ccc1F ZINC000609220472 1068016809 /nfs/dbraw/zinc/01/68/09/1068016809.db2.gz MOEXPCOWLAGATA-UHFFFAOYSA-N 0 0 470.570 0.815 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)ccc1F ZINC000609220477 1068016886 /nfs/dbraw/zinc/01/68/86/1068016886.db2.gz MYLZNMOGQHFGOV-UHFFFAOYSA-N 0 0 458.559 0.717 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)ccc1F ZINC000609220538 1068016416 /nfs/dbraw/zinc/01/64/16/1068016416.db2.gz SMMATVUPVBKRHI-UHFFFAOYSA-N 0 0 472.586 0.965 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000609220547 1068016578 /nfs/dbraw/zinc/01/65/78/1068016578.db2.gz UCAJKVBKVPGMQP-UHFFFAOYSA-N 0 0 456.543 0.495 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCN1CCOCC1 ZINC000609220561 1068016509 /nfs/dbraw/zinc/01/65/09/1068016509.db2.gz VQISJZYFWWFDEH-UHFFFAOYSA-N 0 0 494.617 0.761 20 30 JCEDRN CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CCN4CCOCC4)c3=O)ccc2O1 ZINC000609220562 1068016291 /nfs/dbraw/zinc/01/62/91/1068016291.db2.gz VRIFAXNPGWDFIM-UHFFFAOYSA-N 0 0 494.617 0.737 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(F)c(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609220565 1068016379 /nfs/dbraw/zinc/01/63/79/1068016379.db2.gz VZNZCDAOOLSJJV-UHFFFAOYSA-N 0 0 458.559 0.719 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)ccc1F ZINC000609220572 1068016471 /nfs/dbraw/zinc/01/64/71/1068016471.db2.gz WQBQLZAACRZPRH-UHFFFAOYSA-N 0 0 456.543 0.471 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)ccc1F ZINC000609220615 1068016494 /nfs/dbraw/zinc/01/64/94/1068016494.db2.gz ZHRPQWIWEMTNBG-UHFFFAOYSA-N 0 0 486.569 0.051 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCNS(C)(=O)=O)c2=O)ccc1F ZINC000609220687 1068015656 /nfs/dbraw/zinc/01/56/56/1068015656.db2.gz AWTGENINQPESKS-UHFFFAOYSA-N 0 0 480.587 0.182 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000609220772 1068016539 /nfs/dbraw/zinc/01/65/39/1068016539.db2.gz GRWRJGSEIOPTCZ-UHFFFAOYSA-N 0 0 486.550 0.302 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609220813 1068004449 /nfs/dbraw/zinc/00/44/49/1068004449.db2.gz JPBBKQLRHMSDFT-UHFFFAOYSA-N 0 0 474.542 0.960 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O ZINC000609220859 1068014156 /nfs/dbraw/zinc/01/41/56/1068014156.db2.gz MDKHRFNQUCKDRQ-UHFFFAOYSA-N 0 0 484.578 0.154 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)ccc1F ZINC000609220870 1068014993 /nfs/dbraw/zinc/01/49/93/1068014993.db2.gz MLTIDXPTEIVFAH-UHFFFAOYSA-N 0 0 478.571 0.032 20 30 JCEDRN CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)N4CCCC4)n(CC(N)=O)c3=O)ccc2O1 ZINC000609220905 1068014025 /nfs/dbraw/zinc/01/40/25/1068014025.db2.gz QPJWSYZSTLFSAH-UHFFFAOYSA-N 0 0 452.536 0.234 20 30 JCEDRN Cc1ccccc1-c1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 ZINC000609220912 1068014068 /nfs/dbraw/zinc/01/40/68/1068014068.db2.gz RRBNUKJUDOWYDM-UHFFFAOYSA-N 0 0 488.569 0.732 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)ccc1F ZINC000609220935 1067981718 /nfs/dbraw/zinc/98/17/18/1067981718.db2.gz UQOBFTKEYUBXPS-UHFFFAOYSA-N 0 0 492.532 0.807 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(CC(N)=O)c2=O)ccc1F ZINC000609220950 1067986945 /nfs/dbraw/zinc/98/69/45/1067986945.db2.gz VZUWLYYZTTWSOF-UHFFFAOYSA-N 0 0 494.504 0.756 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccc3C)c2)c(=O)n1CC(N)=O ZINC000609220956 1067989250 /nfs/dbraw/zinc/98/92/50/1067989250.db2.gz XCUPPMFZGOIMFY-UHFFFAOYSA-N 0 0 476.558 0.636 20 30 JCEDRN COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cn1 ZINC000609221352 1068018164 /nfs/dbraw/zinc/01/81/64/1068018164.db2.gz FBLAYKVRGKSJBG-KRWDZBQOSA-N 0 0 455.496 0.600 20 30 JCEDRN COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cn1 ZINC000609221359 1068018002 /nfs/dbraw/zinc/01/80/02/1068018002.db2.gz FBLAYKVRGKSJBG-QGZVFWFLSA-N 0 0 455.496 0.600 20 30 JCEDRN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000609226120 1068047271 /nfs/dbraw/zinc/04/72/71/1068047271.db2.gz MVHGUFIQSXFTOH-UHFFFAOYSA-N 0 0 452.471 0.836 20 30 JCEDRN CN1c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000609226991 1068061008 /nfs/dbraw/zinc/06/10/08/1068061008.db2.gz HRVOSBSJMHGJJX-UHFFFAOYSA-N 0 0 481.534 0.939 20 30 JCEDRN CN(CC(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609228224 1068063906 /nfs/dbraw/zinc/06/39/06/1068063906.db2.gz KFUQDJMXMRNKPS-UHFFFAOYSA-N 0 0 478.552 0.838 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)COCC(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)c1 ZINC000609231943 1068065415 /nfs/dbraw/zinc/06/54/15/1068065415.db2.gz VOUARSDOJABUEA-UHFFFAOYSA-N 0 0 474.525 0.234 20 30 JCEDRN N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 ZINC000609254420 1068222069 /nfs/dbraw/zinc/22/20/69/1068222069.db2.gz NEQJDBRTUQDHFW-UHFFFAOYSA-N 0 0 481.531 0.561 20 30 JCEDRN Cn1c2ncc(NC(=O)C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2c(=O)n(C)c1=O ZINC000609255218 1068218990 /nfs/dbraw/zinc/21/89/90/1068218990.db2.gz UYUDRGDBPOXRBR-UHFFFAOYSA-N 0 0 462.466 0.512 20 30 JCEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(F)c1 ZINC000609255479 1068237048 /nfs/dbraw/zinc/23/70/48/1068237048.db2.gz BZJFMVXCRSNFFA-UHFFFAOYSA-N 0 0 459.459 0.073 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 ZINC000609255523 1068237012 /nfs/dbraw/zinc/23/70/12/1068237012.db2.gz CSRMQDILDZHMAB-UHFFFAOYSA-N 0 0 459.503 0.888 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000609255801 1068235038 /nfs/dbraw/zinc/23/50/38/1068235038.db2.gz LVABGRRQTUFZPW-UHFFFAOYSA-N 0 0 489.529 0.897 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)c2)CC1 ZINC000609255843 1068231713 /nfs/dbraw/zinc/23/17/13/1068231713.db2.gz MWJCSOHNWMPOMN-UHFFFAOYSA-N 0 0 459.503 0.888 20 30 JCEDRN N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c(F)c1 ZINC000609256154 1068228877 /nfs/dbraw/zinc/22/88/77/1068228877.db2.gz WSBFLVNRFOCBHC-FQEVSTJZSA-N 0 0 452.442 0.967 20 30 JCEDRN N#Cc1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c(F)c1 ZINC000609256159 1068229023 /nfs/dbraw/zinc/22/90/23/1068229023.db2.gz WSBFLVNRFOCBHC-HXUWFJFHSA-N 0 0 452.442 0.967 20 30 JCEDRN COc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000609256635 1068244916 /nfs/dbraw/zinc/24/49/16/1068244916.db2.gz BMLLDULMCZEMEJ-UHFFFAOYSA-N 0 0 476.486 0.982 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000609256998 1068241443 /nfs/dbraw/zinc/24/14/43/1068241443.db2.gz PQYOIENSWDLRSG-UHFFFAOYSA-N 0 0 476.486 0.982 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c(Cl)c1OC ZINC000609323278 1068930915 /nfs/dbraw/zinc/93/09/15/1068930915.db2.gz FJKMNBBWGIMEPH-UHFFFAOYSA-N 0 0 492.985 0.696 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609323280 1068930714 /nfs/dbraw/zinc/93/07/14/1068930714.db2.gz FUGMPXJOZPGWPR-UHFFFAOYSA-N 0 0 498.948 0.918 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CC(=O)N(C)C ZINC000609323326 1068941893 /nfs/dbraw/zinc/94/18/93/1068941893.db2.gz IAXGXOJLKRUVSX-UHFFFAOYSA-N 0 0 492.985 0.698 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2Cl)sc1=C(C#N)C(=O)NCCOC ZINC000609323425 1068948326 /nfs/dbraw/zinc/94/83/26/1068948326.db2.gz LSWLODHKONCHAH-UHFFFAOYSA-N 0 0 451.932 0.866 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c(Cl)c1OC ZINC000609323436 1068948340 /nfs/dbraw/zinc/94/83/40/1068948340.db2.gz MMSNRNKAXGPMIG-UHFFFAOYSA-N 0 0 490.969 0.450 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1C ZINC000609323720 1068943305 /nfs/dbraw/zinc/94/33/05/1068943305.db2.gz SWNPWQIYAFTTGB-UHFFFAOYSA-N 0 0 451.932 0.773 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC2CCN(CC#N)CC2)c1OC ZINC000609328223 1068961228 /nfs/dbraw/zinc/96/12/28/1068961228.db2.gz GLNMZQFKSDFBQR-UHFFFAOYSA-N 0 0 452.533 0.442 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(CC#N)CC3)CC2)o1 ZINC000609328323 1068962561 /nfs/dbraw/zinc/96/25/61/1068962561.db2.gz JEXROZTVSQWQJQ-UHFFFAOYSA-N 0 0 452.533 0.961 20 30 JCEDRN COCCn1cnc2c1c(=O)n(CC(=O)NC1CCN(CC#N)CC1)c(=O)n2Cc1ccccc1 ZINC000609328524 1068962418 /nfs/dbraw/zinc/96/24/18/1068962418.db2.gz HHWXZYLFNZLVEX-UHFFFAOYSA-N 0 0 479.541 0.159 20 30 JCEDRN N#CCN1CCC(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000609328790 1068962537 /nfs/dbraw/zinc/96/25/37/1068962537.db2.gz OOVNEKOPDHJEIY-UHFFFAOYSA-N 0 0 457.350 0.907 20 30 JCEDRN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCN(CC#N)CC1 ZINC000609328928 1068961815 /nfs/dbraw/zinc/96/18/15/1068961815.db2.gz WNPMIELRHWDKFO-NRFANRHFSA-N 0 0 491.614 0.566 20 30 JCEDRN CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCN(CC#N)CC1 ZINC000609328932 1068961613 /nfs/dbraw/zinc/96/16/13/1068961613.db2.gz WNPMIELRHWDKFO-OAQYLSRUSA-N 0 0 491.614 0.566 20 30 JCEDRN N#CCN1CCC(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 ZINC000609329543 1068962523 /nfs/dbraw/zinc/96/25/23/1068962523.db2.gz QNSRBWOYIONYLN-UHFFFAOYSA-N 0 0 461.544 0.873 20 30 JCEDRN N#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 ZINC000609330189 1068962548 /nfs/dbraw/zinc/96/25/48/1068962548.db2.gz KWCZWKBTRVXJKK-UHFFFAOYSA-N 0 0 477.587 0.262 20 30 JCEDRN N#CCN1CCC(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc32)CC1 ZINC000609330414 1068962363 /nfs/dbraw/zinc/96/23/63/1068962363.db2.gz OJPLNWQSKLTJRW-UHFFFAOYSA-N 0 0 459.528 0.679 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3CCN(CC#N)CC3)CC2)cc1 ZINC000609332640 1068962214 /nfs/dbraw/zinc/96/22/14/1068962214.db2.gz NNULHVYBCTWGFD-UHFFFAOYSA-N 0 0 461.588 0.712 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(OCCOC)cc3)sc2=C(C#N)C(=O)NC)cn1 ZINC000609333518 1067740048 /nfs/dbraw/zinc/74/00/48/1067740048.db2.gz DSCSSHISQBPERA-UHFFFAOYSA-N 0 0 453.524 0.390 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000609333535 1068963111 /nfs/dbraw/zinc/96/31/11/1068963111.db2.gz GZIYMJJLVSYAFJ-UHFFFAOYSA-N 0 0 484.578 0.149 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1 ZINC000609333589 1068963024 /nfs/dbraw/zinc/96/30/24/1068963024.db2.gz QKNFSEIFDPEUCH-UHFFFAOYSA-N 0 0 478.530 0.562 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 ZINC000609333600 1068963013 /nfs/dbraw/zinc/96/30/13/1068963013.db2.gz SBCWGVAUDHVYGE-UHFFFAOYSA-N 0 0 486.594 0.298 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609333607 1068963100 /nfs/dbraw/zinc/96/31/00/1068963100.db2.gz UBDKHPQLQHFDPH-UHFFFAOYSA-N 0 0 478.530 0.272 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC(=O)N(C)C ZINC000609333609 1067740023 /nfs/dbraw/zinc/74/00/23/1067740023.db2.gz UFCCZGQRPZWFMK-UHFFFAOYSA-N 0 0 472.567 0.052 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CCc1cccnc1 ZINC000609333633 1067739963 /nfs/dbraw/zinc/73/99/63/1067739963.db2.gz WXNCPCQCTWVBBJ-UHFFFAOYSA-N 0 0 464.547 0.822 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1 ZINC000609333634 1068962995 /nfs/dbraw/zinc/96/29/95/1068962995.db2.gz WZUNGRVBEFLKDD-UHFFFAOYSA-N 0 0 472.567 0.051 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000609333636 1067740187 /nfs/dbraw/zinc/74/01/87/1067740187.db2.gz XDUCRAJIBBIOIM-UHFFFAOYSA-N 0 0 498.605 0.585 20 30 JCEDRN N#CCN1CCC(Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000609333781 1068963120 /nfs/dbraw/zinc/96/31/20/1068963120.db2.gz OIKNHMTUTGEZRC-UHFFFAOYSA-N 0 0 452.537 0.605 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnnn3-c3ccccc3)CC2)cc1 ZINC000609335442 1068962906 /nfs/dbraw/zinc/96/29/06/1068962906.db2.gz HCINSOWVWNULMD-UHFFFAOYSA-N 0 0 452.500 0.750 20 30 JCEDRN N#CCN1CCC(NC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000609335573 1068962876 /nfs/dbraw/zinc/96/28/76/1068962876.db2.gz BRFMZDNOZGETBD-UHFFFAOYSA-N 0 0 463.560 0.852 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000609335586 1068963115 /nfs/dbraw/zinc/96/31/15/1068963115.db2.gz QVLAPUWKNSEBCY-UHFFFAOYSA-N 0 0 454.578 0.634 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)cc1[N+](=O)[O-] ZINC000609336693 1068962980 /nfs/dbraw/zinc/96/29/80/1068962980.db2.gz GMLLAKIVLPVZTN-UHFFFAOYSA-N 0 0 466.520 0.607 20 30 JCEDRN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000609336883 1068963124 /nfs/dbraw/zinc/96/31/24/1068963124.db2.gz NVZRDYTYVGDUKF-UHFFFAOYSA-N 0 0 467.548 0.687 20 30 JCEDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000609337929 1068965566 /nfs/dbraw/zinc/96/55/66/1068965566.db2.gz LTIDFCABXYQMEJ-UHFFFAOYSA-N 0 0 450.521 0.907 20 30 JCEDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c([N+](=O)[O-])c1 ZINC000609338163 1068965621 /nfs/dbraw/zinc/96/56/21/1068965621.db2.gz STYKCOMXQHZRRQ-UHFFFAOYSA-N 0 0 450.521 0.818 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)cc1 ZINC000609338195 1068965607 /nfs/dbraw/zinc/96/56/07/1068965607.db2.gz UMUBLSHVYCHEGT-UHFFFAOYSA-N 0 0 463.560 0.867 20 30 JCEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c1 ZINC000609338304 1068965356 /nfs/dbraw/zinc/96/53/56/1068965356.db2.gz YLCHSRPXTSMVKB-UHFFFAOYSA-N 0 0 451.549 0.708 20 30 JCEDRN N#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 ZINC000609338522 1068965461 /nfs/dbraw/zinc/96/54/61/1068965461.db2.gz RIQLEERTUBETRA-UHFFFAOYSA-N 0 0 492.602 0.654 20 30 JCEDRN N#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000609338695 1068965643 /nfs/dbraw/zinc/96/56/43/1068965643.db2.gz GAVDXNMTNXGPRU-INIZCTEOSA-N 0 0 455.562 0.261 20 30 JCEDRN N#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000609338698 1068965584 /nfs/dbraw/zinc/96/55/84/1068965584.db2.gz GAVDXNMTNXGPRU-MRXNPFEDSA-N 0 0 455.562 0.261 20 30 JCEDRN N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CC1 ZINC000609340336 1068965479 /nfs/dbraw/zinc/96/54/79/1068965479.db2.gz PNNXLAZOIPUJRK-UHFFFAOYSA-N 0 0 496.977 0.675 20 30 JCEDRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)c2)CC1 ZINC000609340570 1068966203 /nfs/dbraw/zinc/96/62/03/1068966203.db2.gz DDANVRNPCNFHNQ-UHFFFAOYSA-N 0 0 462.576 0.055 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000609340754 1068965537 /nfs/dbraw/zinc/96/55/37/1068965537.db2.gz JJEOZUJIGMCKPX-UHFFFAOYSA-N 0 0 476.603 0.970 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000609341194 1068965577 /nfs/dbraw/zinc/96/55/77/1068965577.db2.gz RFVPCPOUGAEYKC-UHFFFAOYSA-N 0 0 463.560 0.912 20 30 JCEDRN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000609341245 1068965395 /nfs/dbraw/zinc/96/53/95/1068965395.db2.gz TWGOOLVANCYFJV-UHFFFAOYSA-N 0 0 479.559 0.149 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c1 ZINC000609341675 1068966245 /nfs/dbraw/zinc/96/62/45/1068966245.db2.gz YNKDTNCEPPCXJV-UHFFFAOYSA-N 0 0 455.562 0.539 20 30 JCEDRN CCOc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000609341861 1068966019 /nfs/dbraw/zinc/96/60/19/1068966019.db2.gz ARRXBRICSVBLCY-UHFFFAOYSA-N 0 0 463.560 0.912 20 30 JCEDRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000609341912 1068966122 /nfs/dbraw/zinc/96/61/22/1068966122.db2.gz CXNFJCNEELLXOA-UHFFFAOYSA-N 0 0 493.586 0.537 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 ZINC000609342044 1068966060 /nfs/dbraw/zinc/96/60/60/1068966060.db2.gz KZXKPOVZDKROFK-UHFFFAOYSA-N 0 0 464.592 0.826 20 30 JCEDRN COc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000609342071 1068966151 /nfs/dbraw/zinc/96/61/51/1068966151.db2.gz MEQKZPWTVNCZDN-UHFFFAOYSA-N 0 0 463.560 0.912 20 30 JCEDRN N#CCN1CCC(NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000609342074 1068966092 /nfs/dbraw/zinc/96/60/92/1068966092.db2.gz MIABTHCQOZFTQB-UHFFFAOYSA-N 0 0 459.572 0.854 20 30 JCEDRN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C1 ZINC000609342081 1068966177 /nfs/dbraw/zinc/96/61/77/1068966177.db2.gz MRESNJKQKKPNHC-INIZCTEOSA-N 0 0 491.570 0.303 20 30 JCEDRN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C1 ZINC000609342082 1068966048 /nfs/dbraw/zinc/96/60/48/1068966048.db2.gz MRESNJKQKKPNHC-MRXNPFEDSA-N 0 0 491.570 0.303 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C[C@H](C)O1 ZINC000609342359 1068966161 /nfs/dbraw/zinc/96/61/61/1068966161.db2.gz VQMPGURVMQKLSX-HOTGVXAUSA-N 0 0 463.560 0.527 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C[C@@H](C)O1 ZINC000609342361 1068966067 /nfs/dbraw/zinc/96/60/67/1068966067.db2.gz VQMPGURVMQKLSX-HZPDHXFCSA-N 0 0 463.560 0.527 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)C[C@H](C)O1 ZINC000609342362 1068966268 /nfs/dbraw/zinc/96/62/68/1068966268.db2.gz VQMPGURVMQKLSX-IYBDPMFKSA-N 0 0 463.560 0.527 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 ZINC000609342391 1068966218 /nfs/dbraw/zinc/96/62/18/1068966218.db2.gz VYJUXWLIVCEWRU-UHFFFAOYSA-N 0 0 451.549 0.768 20 30 JCEDRN CN(CC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609345631 1068966187 /nfs/dbraw/zinc/96/61/87/1068966187.db2.gz FKGIFXKZRVHQNA-UHFFFAOYSA-N 0 0 480.554 0.499 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609350153 1068963638 /nfs/dbraw/zinc/96/36/38/1068963638.db2.gz IYGGMRCVFAWFJY-UHFFFAOYSA-N 0 0 462.522 0.549 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000609350161 1068963699 /nfs/dbraw/zinc/96/36/99/1068963699.db2.gz JKEANFVHPHNJAM-UHFFFAOYSA-N 0 0 476.549 0.795 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000609350319 1068963562 /nfs/dbraw/zinc/96/35/62/1068963562.db2.gz OXPCZNAJDHILDZ-UHFFFAOYSA-N 0 0 462.522 0.549 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000609350350 1068964208 /nfs/dbraw/zinc/96/42/08/1068964208.db2.gz QNWZNDBWHODLRZ-UHFFFAOYSA-N 0 0 462.522 0.548 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000609350354 1068964136 /nfs/dbraw/zinc/96/41/36/1068964136.db2.gz QUNGAGZZIJHXLS-UHFFFAOYSA-N 0 0 476.549 0.940 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000609350408 1068964154 /nfs/dbraw/zinc/96/41/54/1068964154.db2.gz TYJIOWTUAJJGOW-UHFFFAOYSA-N 0 0 460.506 0.302 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C1CC1 ZINC000609350440 1068964266 /nfs/dbraw/zinc/96/42/66/1068964266.db2.gz RPXVONOSPFHQHW-UHFFFAOYSA-N 0 0 460.506 0.474 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609351043 1067740499 /nfs/dbraw/zinc/74/04/99/1067740499.db2.gz CTVXKEHMQZLQQH-CYBMUJFWSA-N 0 0 498.511 0.930 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609351044 1068964104 /nfs/dbraw/zinc/96/41/04/1068964104.db2.gz CTVXKEHMQZLQQH-ZDUSSCGKSA-N 0 0 498.511 0.930 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609351063 1068964221 /nfs/dbraw/zinc/96/42/21/1068964221.db2.gz GVSPPVZGQUWVKH-UHFFFAOYSA-N 0 0 498.511 0.932 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(=O)N(C)C ZINC000609351117 1068964046 /nfs/dbraw/zinc/96/40/46/1068964046.db2.gz MXYOJMCYDMTWMF-UHFFFAOYSA-N 0 0 478.521 0.322 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000609351132 1068964058 /nfs/dbraw/zinc/96/40/58/1068964058.db2.gz NTPXOIRDINCORF-UHFFFAOYSA-N 0 0 496.561 0.299 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000609351176 1068964091 /nfs/dbraw/zinc/96/40/91/1068964091.db2.gz RPOIZVVTVJLZTH-UHFFFAOYSA-N 0 0 460.506 0.838 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609351180 1068964122 /nfs/dbraw/zinc/96/41/22/1068964122.db2.gz SRJRIOWBWTYYDC-UHFFFAOYSA-N 0 0 484.484 0.542 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000609351182 1068964282 /nfs/dbraw/zinc/96/42/82/1068964282.db2.gz SSQZKRXZESUNTF-UHFFFAOYSA-N 0 0 496.495 0.638 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc(F)c3F)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000609351234 1068963983 /nfs/dbraw/zinc/96/39/83/1068963983.db2.gz WWXXMUNWBYKRRD-UHFFFAOYSA-N 0 0 471.489 0.755 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000609351235 1068964071 /nfs/dbraw/zinc/96/40/71/1068964071.db2.gz WYEISOQSPPCUMK-UHFFFAOYSA-N 0 0 476.549 0.892 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 ZINC000609357773 1068968112 /nfs/dbraw/zinc/96/81/12/1068968112.db2.gz KEZFCJKJLGKCQR-UHFFFAOYSA-N 0 0 464.482 0.881 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000609357833 1068968192 /nfs/dbraw/zinc/96/81/92/1068968192.db2.gz MSSNTKHVAIMKHD-UHFFFAOYSA-N 0 0 464.482 0.881 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000609357880 1068968032 /nfs/dbraw/zinc/96/80/32/1068968032.db2.gz OURZZDWPPDYFQC-UHFFFAOYSA-N 0 0 469.420 0.635 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000609358034 1068967950 /nfs/dbraw/zinc/96/79/50/1068967950.db2.gz ZLSSKCAOCQKVKV-UHFFFAOYSA-N 0 0 464.482 0.881 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000609358920 1068968067 /nfs/dbraw/zinc/96/80/67/1068968067.db2.gz JVXMDXWFJCPJCI-UHFFFAOYSA-N 0 0 454.531 0.999 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnnc2CCc2ccccc2)CC1 ZINC000609371953 1068967667 /nfs/dbraw/zinc/96/76/67/1068967667.db2.gz ODEFTVBFIWTIBH-UHFFFAOYSA-N 0 0 465.539 0.863 20 30 JCEDRN N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000609402931 1068969937 /nfs/dbraw/zinc/96/99/37/1068969937.db2.gz UTRXUIIUXCONQP-UHFFFAOYSA-N 0 0 491.551 0.856 20 30 JCEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000609402948 1068969948 /nfs/dbraw/zinc/96/99/48/1068969948.db2.gz WMSJZFQXJHQLME-KRWDZBQOSA-N 0 0 494.643 0.513 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000609402949 1068970064 /nfs/dbraw/zinc/97/00/64/1068970064.db2.gz WMSJZFQXJHQLME-QGZVFWFLSA-N 0 0 494.643 0.513 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609405101 1068970120 /nfs/dbraw/zinc/97/01/20/1068970120.db2.gz JNRZPILGNMEGFN-UHFFFAOYSA-N 0 0 489.601 0.808 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1F ZINC000609405139 1068969919 /nfs/dbraw/zinc/96/99/19/1068969919.db2.gz LQTLTRRCDVESMA-UHFFFAOYSA-N 0 0 493.564 0.693 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000609405189 1068970177 /nfs/dbraw/zinc/97/01/77/1068970177.db2.gz PEBOYDPUONTIIX-UHFFFAOYSA-N 0 0 489.601 0.808 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1F ZINC000609407801 1068969452 /nfs/dbraw/zinc/96/94/52/1068969452.db2.gz AMPFZUQPJUXWIF-UHFFFAOYSA-N 0 0 493.564 0.693 20 30 JCEDRN CCc1ccccc1-n1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609407844 1068969277 /nfs/dbraw/zinc/96/92/77/1068969277.db2.gz FNKIKQRGBHSNOB-UHFFFAOYSA-N 0 0 489.601 0.808 20 30 JCEDRN CCc1cccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000609407890 1068969368 /nfs/dbraw/zinc/96/93/68/1068969368.db2.gz IVRLUUQNVLNSQL-UHFFFAOYSA-N 0 0 489.601 0.808 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1F ZINC000609408157 1067820782 /nfs/dbraw/zinc/82/07/82/1067820782.db2.gz IDSZHXYHIYNFPI-UHFFFAOYSA-N 0 0 482.537 0.891 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1S(=O)(=O)NCC#N ZINC000609412641 1068969569 /nfs/dbraw/zinc/96/95/69/1068969569.db2.gz YSHAQEHCSWIODF-UHFFFAOYSA-N 0 0 455.540 0.854 20 30 JCEDRN Cc1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1S(=O)(=O)NCC#N ZINC000609413441 1068969356 /nfs/dbraw/zinc/96/93/56/1068969356.db2.gz SLIQWGLTMXQGEG-UHFFFAOYSA-N 0 0 471.543 0.056 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)s1 ZINC000609416528 1068971367 /nfs/dbraw/zinc/97/13/67/1068971367.db2.gz ODLAROYEIRMONA-UHFFFAOYSA-N 0 0 488.616 0.478 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1C ZINC000609416555 1067822507 /nfs/dbraw/zinc/82/25/07/1067822507.db2.gz ULKSVNBLAIAGQZ-UHFFFAOYSA-N 0 0 474.608 0.201 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(=O)N(C)C)c2=O)s1 ZINC000609416698 1068971380 /nfs/dbraw/zinc/97/13/80/1068971380.db2.gz DIIKOPUAKVYWRJ-UHFFFAOYSA-N 0 0 462.597 0.278 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(=O)N(C)C ZINC000609416716 1068970781 /nfs/dbraw/zinc/97/07/81/1068970781.db2.gz FSXOIBQASPDBCA-UHFFFAOYSA-N 0 0 470.595 0.661 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CC(=O)N(C)C ZINC000609416728 1068971298 /nfs/dbraw/zinc/97/12/98/1068971298.db2.gz GIIHMFNWOUFFSZ-UHFFFAOYSA-N 0 0 476.624 0.668 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC(=O)N(C)C)c2=O)s1 ZINC000609416836 1067822778 /nfs/dbraw/zinc/82/27/78/1067822778.db2.gz QZCGLHFEERRLLJ-UHFFFAOYSA-N 0 0 487.651 0.289 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3C)c(=O)n2CC(=O)N(C)C)CC1 ZINC000609416843 1068971309 /nfs/dbraw/zinc/97/13/09/1068971309.db2.gz RLHRKTYBOUXBNL-UHFFFAOYSA-N 0 0 481.622 0.282 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(=O)N(C)C ZINC000609416851 1068971418 /nfs/dbraw/zinc/97/14/18/1068971418.db2.gz TVHATLDYKZANAO-UHFFFAOYSA-N 0 0 456.568 0.271 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCC(=O)OC)c2=O)s1 ZINC000609416885 1068970735 /nfs/dbraw/zinc/97/07/35/1068970735.db2.gz XTKVVCVZTHSCPL-UHFFFAOYSA-N 0 0 475.592 0.849 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000609417520 1068971449 /nfs/dbraw/zinc/97/14/49/1068971449.db2.gz LCGNTFCOUNSCDG-UHFFFAOYSA-N 0 0 452.580 0.664 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(CC)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609417524 1068971405 /nfs/dbraw/zinc/97/14/05/1068971405.db2.gz MKKKTJIQVHCCLD-UHFFFAOYSA-N 0 0 458.609 0.671 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000609417542 1068971220 /nfs/dbraw/zinc/97/12/20/1068971220.db2.gz QMMUZIPMZBLCEF-UHFFFAOYSA-N 0 0 484.622 0.515 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1C ZINC000609417545 1068971431 /nfs/dbraw/zinc/97/14/31/1068971431.db2.gz QVRVKITUZGELLQ-UHFFFAOYSA-N 0 0 452.580 0.641 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NC)n(CCN2CCOCC2)c1=O ZINC000609421012 1068971236 /nfs/dbraw/zinc/97/12/36/1068971236.db2.gz YPADKDBNTXDJGD-UHFFFAOYSA-N 0 0 466.563 0.800 20 30 JCEDRN CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O ZINC000609421192 1068971482 /nfs/dbraw/zinc/97/14/82/1068971482.db2.gz WURZZLCVLZHCRC-UHFFFAOYSA-N 0 0 466.563 0.707 20 30 JCEDRN N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000609430600 1067839945 /nfs/dbraw/zinc/83/99/45/1067839945.db2.gz BUVUUKROUAZOHU-UHFFFAOYSA-N 0 0 455.496 0.834 20 30 JCEDRN N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000609430882 1068972094 /nfs/dbraw/zinc/97/20/94/1068972094.db2.gz XUGDQGDWTJHCTA-UHFFFAOYSA-N 0 0 456.480 0.801 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000609431240 1068971810 /nfs/dbraw/zinc/97/18/10/1068971810.db2.gz IBOIRVKWLAUQHW-UHFFFAOYSA-N 0 0 477.590 0.818 20 30 JCEDRN CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)CC1 ZINC000609431249 1068972161 /nfs/dbraw/zinc/97/21/61/1068972161.db2.gz IYWQVBLMUKSNDK-UHFFFAOYSA-N 0 0 461.588 0.895 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccnc3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000609431285 1068972112 /nfs/dbraw/zinc/97/21/12/1068972112.db2.gz LROUUCZGMHNVOQ-UHFFFAOYSA-N 0 0 475.574 0.595 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000609431291 1067840872 /nfs/dbraw/zinc/84/08/72/1067840872.db2.gz NDXZCNIXBOYBNF-UHFFFAOYSA-N 0 0 475.574 0.595 20 30 JCEDRN N#CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000609432699 1068970597 /nfs/dbraw/zinc/97/05/97/1068970597.db2.gz JQKAQTWZXAIYJI-GOSISDBHSA-N 0 0 486.550 0.830 20 30 JCEDRN N#CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000609432701 1068970910 /nfs/dbraw/zinc/97/09/10/1068970910.db2.gz JQKAQTWZXAIYJI-SFHVURJKSA-N 0 0 486.550 0.830 20 30 JCEDRN N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000609432726 1068970897 /nfs/dbraw/zinc/97/08/97/1068970897.db2.gz MNELNZCGASQMMX-UHFFFAOYSA-N 0 0 462.532 0.021 20 30 JCEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000609437566 1068973467 /nfs/dbraw/zinc/97/34/67/1068973467.db2.gz HGHUFEFIOFHZKZ-INIZCTEOSA-N 0 0 481.600 0.741 20 30 JCEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000609437571 1068973169 /nfs/dbraw/zinc/97/31/69/1068973169.db2.gz HGHUFEFIOFHZKZ-MRXNPFEDSA-N 0 0 481.600 0.741 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC1 ZINC000609437607 1067858094 /nfs/dbraw/zinc/85/80/94/1067858094.db2.gz BVADZVCMAIKDKV-UHFFFAOYSA-N 0 0 482.522 0.773 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)cc1 ZINC000609437967 1068973451 /nfs/dbraw/zinc/97/34/51/1068973451.db2.gz RPTUOBRYXIHFRW-UHFFFAOYSA-N 0 0 482.522 0.773 20 30 JCEDRN N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000609440856 1068972927 /nfs/dbraw/zinc/97/29/27/1068972927.db2.gz JFJAZOFINHRGQO-UHFFFAOYSA-N 0 0 469.479 0.361 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000609536663 1068973504 /nfs/dbraw/zinc/97/35/04/1068973504.db2.gz RNVLPMFCOQKVAH-UHFFFAOYSA-N 0 0 480.543 0.899 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)cc1 ZINC000609536686 1068973286 /nfs/dbraw/zinc/97/32/86/1068973286.db2.gz XXODUDXACFTERA-UHFFFAOYSA-N 0 0 453.480 0.908 20 30 JCEDRN COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000609599914 1068974031 /nfs/dbraw/zinc/97/40/31/1068974031.db2.gz UDXTVLZQFYMCSY-GOSISDBHSA-N 0 0 469.585 0.621 20 30 JCEDRN COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000609599921 1069669634 /nfs/dbraw/zinc/66/96/34/1069669634.db2.gz UDXTVLZQFYMCSY-SFHVURJKSA-N 0 0 469.585 0.621 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3cccc(O)c3)CC2)CC1 ZINC000610198312 1067657599 /nfs/dbraw/zinc/65/75/99/1067657599.db2.gz QIAGDVWWFWKBKU-UHFFFAOYSA-N 0 0 469.567 0.919 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000610431609 1067748884 /nfs/dbraw/zinc/74/88/84/1067748884.db2.gz IEFMIBRQKDIDJJ-UHFFFAOYSA-N 0 0 480.543 0.899 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000610487014 1067761965 /nfs/dbraw/zinc/76/19/65/1067761965.db2.gz AJTZYUXNEPRQQW-AEFFLSMTSA-N 0 0 486.594 0.224 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000610487015 1067761983 /nfs/dbraw/zinc/76/19/83/1067761983.db2.gz AJTZYUXNEPRQQW-FUHWJXTLSA-N 0 0 486.594 0.224 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000610487016 1067762034 /nfs/dbraw/zinc/76/20/34/1067762034.db2.gz AJTZYUXNEPRQQW-SJLPKXTDSA-N 0 0 486.594 0.224 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000610487017 1067762061 /nfs/dbraw/zinc/76/20/61/1067762061.db2.gz AJTZYUXNEPRQQW-WMZOPIPTSA-N 0 0 486.594 0.224 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc([C@H]3C[C@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000610487050 1067762123 /nfs/dbraw/zinc/76/21/23/1067762123.db2.gz BIMQQVZFRRENRC-AEFFLSMTSA-N 0 0 468.579 0.764 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc([C@@H]3C[C@@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000610487051 1067761992 /nfs/dbraw/zinc/76/19/92/1067761992.db2.gz BIMQQVZFRRENRC-FUHWJXTLSA-N 0 0 468.579 0.764 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc([C@@H]3C[C@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000610487052 1067762096 /nfs/dbraw/zinc/76/20/96/1067762096.db2.gz BIMQQVZFRRENRC-SJLPKXTDSA-N 0 0 468.579 0.764 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc([C@H]3C[C@@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000610487053 1067762089 /nfs/dbraw/zinc/76/20/89/1067762089.db2.gz BIMQQVZFRRENRC-WMZOPIPTSA-N 0 0 468.579 0.764 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc([C@H]3C[C@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000610487114 1067762081 /nfs/dbraw/zinc/76/20/81/1067762081.db2.gz DYIUKXBQSSCNQG-AEFFLSMTSA-N 0 0 470.595 0.988 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc([C@@H]3C[C@@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000610487115 1067762386 /nfs/dbraw/zinc/76/23/86/1067762386.db2.gz DYIUKXBQSSCNQG-FUHWJXTLSA-N 0 0 470.595 0.988 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc([C@@H]3C[C@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000610487116 1067762339 /nfs/dbraw/zinc/76/23/39/1067762339.db2.gz DYIUKXBQSSCNQG-SJLPKXTDSA-N 0 0 470.595 0.988 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc([C@H]3C[C@@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000610487117 1067762401 /nfs/dbraw/zinc/76/24/01/1067762401.db2.gz DYIUKXBQSSCNQG-WMZOPIPTSA-N 0 0 470.595 0.988 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000610487337 1067761760 /nfs/dbraw/zinc/76/17/60/1067761760.db2.gz MVIIWJLCCGMQQO-AEFFLSMTSA-N 0 0 468.579 0.764 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000610487339 1067761766 /nfs/dbraw/zinc/76/17/66/1067761766.db2.gz MVIIWJLCCGMQQO-FUHWJXTLSA-N 0 0 468.579 0.764 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000610487340 1067761678 /nfs/dbraw/zinc/76/16/78/1067761678.db2.gz MVIIWJLCCGMQQO-SJLPKXTDSA-N 0 0 468.579 0.764 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1CCN1CCOCC1 ZINC000610487341 1067761722 /nfs/dbraw/zinc/76/17/22/1067761722.db2.gz MVIIWJLCCGMQQO-WMZOPIPTSA-N 0 0 468.579 0.764 20 30 JCEDRN C[C@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)o1 ZINC000610487815 1067762366 /nfs/dbraw/zinc/76/23/66/1067762366.db2.gz RWPLKMGFGSEMMD-HKUYNNGSSA-N 0 0 498.605 0.320 20 30 JCEDRN C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)o1 ZINC000610487816 1067762462 /nfs/dbraw/zinc/76/24/62/1067762462.db2.gz RWPLKMGFGSEMMD-IEBWSBKVSA-N 0 0 498.605 0.320 20 30 JCEDRN C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)o1 ZINC000610487817 1067762390 /nfs/dbraw/zinc/76/23/90/1067762390.db2.gz RWPLKMGFGSEMMD-MJGOQNOKSA-N 0 0 498.605 0.320 20 30 JCEDRN C[C@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)o1 ZINC000610487818 1067762409 /nfs/dbraw/zinc/76/24/09/1067762409.db2.gz RWPLKMGFGSEMMD-PKOBYXMFSA-N 0 0 498.605 0.320 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000610879731 1067798480 /nfs/dbraw/zinc/79/84/80/1067798480.db2.gz CPSKGQFIAGBJNQ-UHFFFAOYSA-N 0 0 484.581 0.042 20 30 JCEDRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000610924663 1067798638 /nfs/dbraw/zinc/79/86/38/1067798638.db2.gz XUSXPRDKNQVMBD-HDICACEKSA-N 0 0 461.588 0.485 20 30 JCEDRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000610924664 1067798683 /nfs/dbraw/zinc/79/86/83/1067798683.db2.gz XUSXPRDKNQVMBD-QZTJIDSGSA-N 0 0 461.588 0.485 20 30 JCEDRN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000610924665 1067798836 /nfs/dbraw/zinc/79/88/36/1067798836.db2.gz XUSXPRDKNQVMBD-ROUUACIJSA-N 0 0 461.588 0.485 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000610927978 1067799145 /nfs/dbraw/zinc/79/91/45/1067799145.db2.gz MLYJLOZWVSNXSA-UHFFFAOYSA-N 0 0 472.552 0.250 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000610928400 1069929863 /nfs/dbraw/zinc/92/98/63/1069929863.db2.gz OSVFZJZCEBKWDP-UHFFFAOYSA-N 0 0 472.552 0.250 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000611131834 1069605872 /nfs/dbraw/zinc/60/58/72/1069605872.db2.gz XPEIVVYSTABOFR-UHFFFAOYSA-N 0 0 459.509 0.970 20 30 JCEDRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC#Cc3ccccc3)CC2)cc1 ZINC000612309796 1067882762 /nfs/dbraw/zinc/88/27/62/1067882762.db2.gz IHHCLYZGFKCKRC-UHFFFAOYSA-N 0 0 462.553 0.402 20 30 JCEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000612314594 1067883136 /nfs/dbraw/zinc/88/31/36/1067883136.db2.gz JNGYWBMOQANSNN-UHFFFAOYSA-N 0 0 452.433 0.770 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000612314617 1067883045 /nfs/dbraw/zinc/88/30/45/1067883045.db2.gz LQXCHZOLANQWJL-UHFFFAOYSA-N 0 0 473.521 0.876 20 30 JCEDRN C=CCn1c2nnc(SCCn3cnc4c3c(=O)n(C)c(=O)n4C)n2c2ccccc2c1=O ZINC000612499322 1067890447 /nfs/dbraw/zinc/89/04/47/1067890447.db2.gz NCJKMADVIXIDNT-UHFFFAOYSA-N 0 0 464.511 0.770 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000612642942 1067892827 /nfs/dbraw/zinc/89/28/27/1067892827.db2.gz GZVAUDPZCICQDH-UHFFFAOYSA-N 0 0 481.556 0.365 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 ZINC000612644471 1067892444 /nfs/dbraw/zinc/89/24/44/1067892444.db2.gz GOEBPLDKRNBZET-UHFFFAOYSA-N 0 0 458.519 0.323 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)oc1C ZINC000613076142 1067903366 /nfs/dbraw/zinc/90/33/66/1067903366.db2.gz LQQMIPIUGUEJOC-UHFFFAOYSA-N 0 0 479.514 0.949 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1Cc1ccccc1 ZINC000613076144 1067903372 /nfs/dbraw/zinc/90/33/72/1067903372.db2.gz LXGCSSQRWZLULV-UHFFFAOYSA-N 0 0 481.530 0.912 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1-c1ccccc1 ZINC000613076421 1067903337 /nfs/dbraw/zinc/90/33/37/1067903337.db2.gz XWCAZQKDDMTURQ-UHFFFAOYSA-N 0 0 467.503 0.853 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000613078019 1067903798 /nfs/dbraw/zinc/90/37/98/1067903798.db2.gz CBQHLEQPJILBFK-UHFFFAOYSA-N 0 0 470.551 0.451 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000613080027 1067903839 /nfs/dbraw/zinc/90/38/39/1067903839.db2.gz WDWFNWZFCNDYQX-UHFFFAOYSA-N 0 0 489.550 0.386 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000613080245 1067903819 /nfs/dbraw/zinc/90/38/19/1067903819.db2.gz NLGDSQIGXJGRRC-UHFFFAOYSA-N 0 0 472.567 0.675 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)oc1C ZINC000613080516 1067903850 /nfs/dbraw/zinc/90/38/50/1067903850.db2.gz APHKGJNBRSCAMF-UHFFFAOYSA-N 0 0 459.524 0.616 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C(=O)OC)c(C)o3)c(=O)n2CC(C)C)CC1 ZINC000613080522 1067903719 /nfs/dbraw/zinc/90/37/19/1067903719.db2.gz BMYCDLVWXXPBAR-UHFFFAOYSA-N 0 0 486.594 0.921 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CC(C)C ZINC000613080524 1067903826 /nfs/dbraw/zinc/90/38/26/1067903826.db2.gz CUZCZEOVPQTVAN-UHFFFAOYSA-N 0 0 461.540 0.910 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)oc1C ZINC000613080870 1067903846 /nfs/dbraw/zinc/90/38/46/1067903846.db2.gz CTOYFCDLBLKNQS-HNNXBMFYSA-N 0 0 471.535 0.902 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)oc1C ZINC000613080872 1067903755 /nfs/dbraw/zinc/90/37/55/1067903755.db2.gz CTOYFCDLBLKNQS-OAHLLOKOSA-N 0 0 471.535 0.902 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C[C@@H]1CCCO1 ZINC000613080902 1067903765 /nfs/dbraw/zinc/90/37/65/1067903765.db2.gz JRKGFYNZFTYALY-AWEZNQCLSA-N 0 0 475.523 0.043 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C[C@H]1CCCO1 ZINC000613080905 1067903858 /nfs/dbraw/zinc/90/38/58/1067903858.db2.gz JRKGFYNZFTYALY-CQSZACIVSA-N 0 0 475.523 0.043 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)oc1C ZINC000613080939 1067903760 /nfs/dbraw/zinc/90/37/60/1067903760.db2.gz PHAZFDUXHWBSMY-AWEZNQCLSA-N 0 0 457.508 0.559 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)oc1C ZINC000613080940 1067903788 /nfs/dbraw/zinc/90/37/88/1067903788.db2.gz PHAZFDUXHWBSMY-CQSZACIVSA-N 0 0 457.508 0.559 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)oc1C ZINC000613080977 1067903769 /nfs/dbraw/zinc/90/37/69/1067903769.db2.gz VJBPWWQJAMXDJJ-AWEZNQCLSA-N 0 0 459.524 0.805 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)oc1C ZINC000613080980 1067903748 /nfs/dbraw/zinc/90/37/48/1067903748.db2.gz VJBPWWQJAMXDJJ-CQSZACIVSA-N 0 0 459.524 0.805 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C[C@@H]1CCCO1 ZINC000613081009 1067903835 /nfs/dbraw/zinc/90/38/35/1067903835.db2.gz WMLRWHRWJVRRJG-HNNXBMFYSA-N 0 0 489.550 0.433 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C[C@H]1CCCO1 ZINC000613081010 1067903794 /nfs/dbraw/zinc/90/37/94/1067903794.db2.gz WMLRWHRWJVRRJG-OAHLLOKOSA-N 0 0 489.550 0.433 20 30 JCEDRN Cn1c(=O)c(=Cc2ccccc2OC(F)(F)F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000613083404 1067903812 /nfs/dbraw/zinc/90/38/12/1067903812.db2.gz CRLDVUTZBMERJH-UHFFFAOYSA-N 0 0 482.484 0.297 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CCN1CCOCC1 ZINC000613083521 1067903773 /nfs/dbraw/zinc/90/37/73/1067903773.db2.gz ZUNPAZWDGMPZMV-UHFFFAOYSA-N 0 0 482.484 0.390 20 30 JCEDRN CCn1c(=O)c(=Cc2ccccc2OC(F)(F)F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000613083775 1067903853 /nfs/dbraw/zinc/90/38/53/1067903853.db2.gz JCTOTDRGQPOHKM-UHFFFAOYSA-N 0 0 496.511 0.780 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(CC(=O)N(C)C)CC3)n2c2ccccc2c1=O ZINC000613251920 1067905871 /nfs/dbraw/zinc/90/58/71/1067905871.db2.gz KOFUDHAKULBNQD-UHFFFAOYSA-N 0 0 469.571 0.555 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)Nc3cnn(CC(=O)NC)c3)n2c2ccccc2c1=O ZINC000613787054 1068034220 /nfs/dbraw/zinc/03/42/20/1068034220.db2.gz JTFOSQYHDZIDIV-UHFFFAOYSA-N 0 0 452.500 0.904 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)n2c2ccccc2c1=O ZINC000613787665 1068034286 /nfs/dbraw/zinc/03/42/86/1068034286.db2.gz XHFHPTLERAJKLF-UHFFFAOYSA-N 0 0 495.565 0.272 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1=O ZINC000613854090 1068041741 /nfs/dbraw/zinc/04/17/41/1068041741.db2.gz QZPDNOMRHANVJY-UHFFFAOYSA-N 0 0 499.343 0.259 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1=O ZINC000613854113 1068041816 /nfs/dbraw/zinc/04/18/16/1068041816.db2.gz SQOLOLAEAJMTLZ-UHFFFAOYSA-N 0 0 450.398 0.549 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c1=O ZINC000613979340 1068083783 /nfs/dbraw/zinc/08/37/83/1068083783.db2.gz CNMNLSVXFKOHIU-GOSISDBHSA-N 0 0 456.499 0.925 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c1=O ZINC000613979342 1068083553 /nfs/dbraw/zinc/08/35/53/1068083553.db2.gz CNMNLSVXFKOHIU-SFHVURJKSA-N 0 0 456.499 0.925 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1=O ZINC000613979396 1068083752 /nfs/dbraw/zinc/08/37/52/1068083752.db2.gz KKAUZDYNWSTPHJ-UHFFFAOYSA-N 0 0 481.340 0.594 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1=O ZINC000613979420 1068083490 /nfs/dbraw/zinc/08/34/90/1068083490.db2.gz NHPKYOKUZGQLQU-UHFFFAOYSA-N 0 0 481.553 0.284 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1=O ZINC000613979574 1068083692 /nfs/dbraw/zinc/08/36/92/1068083692.db2.gz WYHPQLYTVONDSB-UHFFFAOYSA-N 0 0 469.546 0.114 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000614168981 1068155216 /nfs/dbraw/zinc/15/52/16/1068155216.db2.gz APCIUAWFWXHDRW-UHFFFAOYSA-N 0 0 456.524 0.653 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 ZINC000614169297 1068156045 /nfs/dbraw/zinc/15/60/45/1068156045.db2.gz OTHZQQIDSXFZOS-UHFFFAOYSA-N 0 0 456.524 0.653 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000614799254 1069730692 /nfs/dbraw/zinc/73/06/92/1069730692.db2.gz ZJPPJKGKSPOXJB-UHFFFAOYSA-N 0 0 478.552 0.524 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000614801863 1069732787 /nfs/dbraw/zinc/73/27/87/1069732787.db2.gz URGXZQBBJLYRNV-UHFFFAOYSA-N 0 0 464.569 0.761 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000614831206 1069951372 /nfs/dbraw/zinc/95/13/72/1069951372.db2.gz KXNLNCDOKXKHSD-UHFFFAOYSA-N 0 0 450.498 0.824 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(C[C@@H]2CCCO2)c1=O ZINC000614904170 1069994886 /nfs/dbraw/zinc/99/48/86/1069994886.db2.gz BPIUUGFQTUHADP-INIZCTEOSA-N 0 0 464.503 0.937 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(C[C@H]2CCCO2)c1=O ZINC000614904171 1069994945 /nfs/dbraw/zinc/99/49/45/1069994945.db2.gz BPIUUGFQTUHADP-MRXNPFEDSA-N 0 0 464.503 0.937 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000614909164 1069994845 /nfs/dbraw/zinc/99/48/45/1069994845.db2.gz GVCOTJWRWIDDAS-UHFFFAOYSA-N 0 0 490.541 0.752 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 ZINC000614909530 1069994822 /nfs/dbraw/zinc/99/48/22/1069994822.db2.gz RMXPNYDTKSPYTH-UHFFFAOYSA-N 0 0 479.514 0.950 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc1OC ZINC000614909542 1069994681 /nfs/dbraw/zinc/99/46/81/1069994681.db2.gz SBTJJGBXZKKMIU-UHFFFAOYSA-N 0 0 471.579 0.987 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCN1CCOCC1 ZINC000614910942 1069995430 /nfs/dbraw/zinc/99/54/30/1069995430.db2.gz JCOANMUKINKZOM-UHFFFAOYSA-N 0 0 469.563 0.741 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc2c1OCCO2 ZINC000614911289 1069995468 /nfs/dbraw/zinc/99/54/68/1069995468.db2.gz LZOLTLHXNLYJAP-UHFFFAOYSA-N 0 0 499.589 0.750 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CCN2CCOCC2)c1=O ZINC000614911298 1069995533 /nfs/dbraw/zinc/99/55/33/1069995533.db2.gz NCZGLVZWNSXXHI-UHFFFAOYSA-N 0 0 493.545 0.090 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCN1CCOCC1 ZINC000614911320 1069995748 /nfs/dbraw/zinc/99/57/48/1069995748.db2.gz NLUUQPLLTQENPG-UHFFFAOYSA-N 0 0 453.564 0.905 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc2c1OCO2 ZINC000614911396 1069994919 /nfs/dbraw/zinc/99/49/19/1069994919.db2.gz WEOZWVWHLUPBOM-UHFFFAOYSA-N 0 0 485.562 0.707 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c1 ZINC000614911477 1069995694 /nfs/dbraw/zinc/99/56/94/1069995694.db2.gz ZOBVWJQIPYKGPK-UHFFFAOYSA-N 0 0 485.606 0.995 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000614917320 1069995609 /nfs/dbraw/zinc/99/56/09/1069995609.db2.gz SEBJFSFYAZJHJZ-UHFFFAOYSA-N 0 0 485.591 0.611 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 ZINC000615045020 1070002824 /nfs/dbraw/zinc/00/28/24/1070002824.db2.gz MMVZHNQZLALMON-UHFFFAOYSA-N 0 0 463.560 0.887 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000615153470 1070094916 /nfs/dbraw/zinc/09/49/16/1070094916.db2.gz VVEXUNAUPOCADC-IBGZPJMESA-N 0 0 485.628 0.503 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000615153471 1070094862 /nfs/dbraw/zinc/09/48/62/1070094862.db2.gz VVEXUNAUPOCADC-LJQANCHMSA-N 0 0 485.628 0.503 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000615206305 1070214463 /nfs/dbraw/zinc/21/44/63/1070214463.db2.gz FVIRORKDMLKRCD-UHFFFAOYSA-N 0 0 450.542 0.693 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000615218584 1070439359 /nfs/dbraw/zinc/43/93/59/1070439359.db2.gz UZKBNXKDDUTQGQ-UHFFFAOYSA-N 0 0 493.611 0.428 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 ZINC000615281375 1068980995 /nfs/dbraw/zinc/98/09/95/1068980995.db2.gz JPHPRYLRZQUWEA-UHFFFAOYSA-N 0 0 478.615 0.842 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCN1CCOCC1 ZINC000615977469 1068999696 /nfs/dbraw/zinc/99/96/96/1068999696.db2.gz PVBORPWQMHLJEJ-UHFFFAOYSA-N 0 0 489.619 0.374 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000616169349 1069009615 /nfs/dbraw/zinc/00/96/15/1069009615.db2.gz ZRGYDZKWTBZHBT-UHFFFAOYSA-N 0 0 477.568 0.464 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(=O)COC)CC2)cc1 ZINC000616473562 1069036755 /nfs/dbraw/zinc/03/67/55/1069036755.db2.gz OAOSBJHCTAMIEJ-UHFFFAOYSA-N 0 0 452.533 0.185 20 30 JCEDRN C=CCN(CC=C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000616694843 1069053919 /nfs/dbraw/zinc/05/39/19/1069053919.db2.gz FGEYRNZPDGNISN-UHFFFAOYSA-N 0 0 478.571 0.683 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC000616839748 1069073217 /nfs/dbraw/zinc/07/32/17/1069073217.db2.gz MITPMWJRWLLOQV-UHFFFAOYSA-N 0 0 465.576 0.100 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000616840580 1067949976 /nfs/dbraw/zinc/94/99/76/1067949976.db2.gz KQXOHHZSBKEVPO-UHFFFAOYSA-N 0 0 477.587 0.198 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000616901622 1069083728 /nfs/dbraw/zinc/08/37/28/1069083728.db2.gz OMOUNJLFDFJFTB-UHFFFAOYSA-N 0 0 464.525 0.965 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 ZINC000616901636 1069083668 /nfs/dbraw/zinc/08/36/68/1069083668.db2.gz WJMTVRWJVNWKMX-UHFFFAOYSA-N 0 0 464.525 0.965 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000616935734 1069090223 /nfs/dbraw/zinc/09/02/23/1069090223.db2.gz KGGMDVRVZWCCBZ-UHFFFAOYSA-N 0 0 491.614 0.588 20 30 JCEDRN O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000616941371 1069085812 /nfs/dbraw/zinc/08/58/12/1069085812.db2.gz BXVCHWUGVVOUJE-UHFFFAOYSA-N 0 0 480.546 0.616 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1 ZINC000616961380 1069094511 /nfs/dbraw/zinc/09/45/11/1069094511.db2.gz JUBOZTUQJNGABP-UHFFFAOYSA-N 0 0 473.555 0.755 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000617482783 1069116104 /nfs/dbraw/zinc/11/61/04/1069116104.db2.gz MOZDLLZFHIWLMH-UHFFFAOYSA-N 0 0 463.560 0.792 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCOC)CC2)cc1 ZINC000617502991 1069116999 /nfs/dbraw/zinc/11/69/99/1069116999.db2.gz RRHUUPYLTQROFM-UHFFFAOYSA-N 0 0 466.560 0.433 20 30 JCEDRN O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000617656378 1069131778 /nfs/dbraw/zinc/13/17/78/1069131778.db2.gz WYKPLLYMFFUHSX-UHFFFAOYSA-N 0 0 488.591 0.808 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000617739840 1069134547 /nfs/dbraw/zinc/13/45/47/1069134547.db2.gz GLCSSEHSGDMHRR-GOSISDBHSA-N 0 0 461.544 0.814 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000617739841 1069135483 /nfs/dbraw/zinc/13/54/83/1069135483.db2.gz GLCSSEHSGDMHRR-SFHVURJKSA-N 0 0 461.544 0.814 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)C(C)(C)C ZINC000618433434 1069147378 /nfs/dbraw/zinc/14/73/78/1069147378.db2.gz AAUMLQKODVQPKU-UHFFFAOYSA-N 0 0 475.592 0.520 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(=O)N(C)C ZINC000618433440 1069147401 /nfs/dbraw/zinc/14/74/01/1069147401.db2.gz AHEZAQVJUMPMGA-UHFFFAOYSA-N 0 0 451.508 0.126 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)c1cccc(Cl)c1 ZINC000618433584 1069147366 /nfs/dbraw/zinc/14/73/66/1069147366.db2.gz KJLDBFLHEUPSHE-UHFFFAOYSA-N 0 0 455.927 0.771 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000618433611 1069147243 /nfs/dbraw/zinc/14/72/43/1069147243.db2.gz MDXFZHLBUGGWSU-UHFFFAOYSA-N 0 0 468.514 0.446 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)c1 ZINC000618433625 1069147302 /nfs/dbraw/zinc/14/73/02/1069147302.db2.gz NCKFLEYSPPHVIC-UHFFFAOYSA-N 0 0 457.552 0.751 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)c1ccccc1 ZINC000618433627 1069147261 /nfs/dbraw/zinc/14/72/61/1069147261.db2.gz NCYRSBCOGUKYRW-UHFFFAOYSA-N 0 0 495.582 0.787 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)CC(C)(C)C ZINC000618433632 1069147285 /nfs/dbraw/zinc/14/72/85/1069147285.db2.gz NHRZALHKYJUJHR-UHFFFAOYSA-N 0 0 489.619 0.910 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)c1ccc2c(c1)OCO2 ZINC000618433697 1069147430 /nfs/dbraw/zinc/14/74/30/1069147430.db2.gz RLLZFZDJRNWFOA-UHFFFAOYSA-N 0 0 462.487 0.508 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)C(C)(C)C ZINC000618433711 1069147254 /nfs/dbraw/zinc/14/72/54/1069147254.db2.gz SCADATXCYOUQSE-UHFFFAOYSA-N 0 0 482.541 0.836 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C ZINC000618433838 1069147270 /nfs/dbraw/zinc/14/72/70/1069147270.db2.gz VCFLQZCBERCMGV-UHFFFAOYSA-N 0 0 461.565 0.130 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc(OC)c1OC ZINC000618434240 1069147181 /nfs/dbraw/zinc/14/71/81/1069147181.db2.gz KQLBMVINDSYDMF-UHFFFAOYSA-N 0 0 473.551 0.752 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000619103175 1069153425 /nfs/dbraw/zinc/15/34/25/1069153425.db2.gz XUZSUULTWZNVSH-HNNXBMFYSA-N 0 0 456.528 0.927 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000619104059 1069153395 /nfs/dbraw/zinc/15/33/95/1069153395.db2.gz GPXGVTXXGGOIBY-UHFFFAOYSA-N 0 0 461.569 0.927 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 ZINC000619104142 1069153057 /nfs/dbraw/zinc/15/30/57/1069153057.db2.gz PRGTYKSBGYGKQY-UHFFFAOYSA-N 0 0 482.566 0.768 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000619104228 1069152705 /nfs/dbraw/zinc/15/27/05/1069152705.db2.gz QZIAVRQHEFQLTQ-HKUYNNGSSA-N 0 0 459.503 0.565 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000619104240 1069152338 /nfs/dbraw/zinc/15/23/38/1069152338.db2.gz QZIAVRQHEFQLTQ-MJGOQNOKSA-N 0 0 459.503 0.565 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000619105214 1069153088 /nfs/dbraw/zinc/15/30/88/1069153088.db2.gz HNCAOJBIIRBMDE-UHFFFAOYSA-N 0 0 456.528 0.400 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000619105326 1069152982 /nfs/dbraw/zinc/15/29/82/1069152982.db2.gz VUKVRKXVUFWFOL-IBGZPJMESA-N 0 0 491.595 0.384 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000619105328 1069153485 /nfs/dbraw/zinc/15/34/85/1069153485.db2.gz VUKVRKXVUFWFOL-LJQANCHMSA-N 0 0 491.595 0.384 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2)CC1 ZINC000619105800 1069153408 /nfs/dbraw/zinc/15/34/08/1069153408.db2.gz MPAHRLNMJOSFON-UHFFFAOYSA-N 0 0 482.566 0.768 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000619105808 1069153454 /nfs/dbraw/zinc/15/34/54/1069153454.db2.gz NZDCSLMZTTYYKA-UHFFFAOYSA-N 0 0 457.512 0.757 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000619105936 1069153466 /nfs/dbraw/zinc/15/34/66/1069153466.db2.gz QYCCVPSVOFBGGO-UHFFFAOYSA-N 0 0 457.512 0.742 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000619106078 1069152693 /nfs/dbraw/zinc/15/26/93/1069152693.db2.gz USVLJWKKSQIGAR-UHFFFAOYSA-N 0 0 456.528 0.929 20 30 JCEDRN COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000619107102 1069153294 /nfs/dbraw/zinc/15/32/94/1069153294.db2.gz VKVQXRXLSBYBTC-IBGZPJMESA-N 0 0 485.566 0.844 20 30 JCEDRN COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000619107103 1069153117 /nfs/dbraw/zinc/15/31/17/1069153117.db2.gz VKVQXRXLSBYBTC-LJQANCHMSA-N 0 0 485.566 0.844 20 30 JCEDRN CN(CCS(=O)(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000619209568 1069153786 /nfs/dbraw/zinc/15/37/86/1069153786.db2.gz MKIHARPGGIWBRF-UHFFFAOYSA-N 0 0 467.548 0.865 20 30 JCEDRN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000619464963 1069156106 /nfs/dbraw/zinc/15/61/06/1069156106.db2.gz JYSUOSYAKXEAER-UHFFFAOYSA-N 0 0 485.566 0.782 20 30 JCEDRN N#Cc1c(NC(=O)CCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)sc2c1CCCC2 ZINC000619506618 1069156126 /nfs/dbraw/zinc/15/61/26/1069156126.db2.gz MPNFLNRCBVYEET-UHFFFAOYSA-N 0 0 459.572 0.830 20 30 JCEDRN COCCN(C(=O)CN1CCN(c2ncccc2C#N)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000619510078 1069156775 /nfs/dbraw/zinc/15/67/75/1069156775.db2.gz LCYKYDJXKGNIAQ-UHFFFAOYSA-N 0 0 484.561 0.255 20 30 JCEDRN N#Cc1cccnc1N1CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000619510171 1069156832 /nfs/dbraw/zinc/15/68/32/1069156832.db2.gz WULSVWIFOJOPRK-JOCHJYFZSA-N 0 0 476.537 0.586 20 30 JCEDRN N#Cc1cccnc1N1CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000619510172 1069156713 /nfs/dbraw/zinc/15/67/13/1069156713.db2.gz WULSVWIFOJOPRK-QFIPXVFZSA-N 0 0 476.537 0.586 20 30 JCEDRN N#Cc1cccnc1N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000619510277 1069155813 /nfs/dbraw/zinc/15/58/13/1069155813.db2.gz RTMBBFWBRVZOLV-UHFFFAOYSA-N 0 0 472.546 0.747 20 30 JCEDRN N#Cc1cccnc1N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000619510287 1069156727 /nfs/dbraw/zinc/15/67/27/1069156727.db2.gz TUPIAFMCNLBWPF-UHFFFAOYSA-N 0 0 472.546 0.747 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)cc1 ZINC000619510299 1069156638 /nfs/dbraw/zinc/15/66/38/1069156638.db2.gz XLFDQPQTINZPKN-UHFFFAOYSA-N 0 0 484.582 0.617 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC000619510300 1069156825 /nfs/dbraw/zinc/15/68/25/1069156825.db2.gz XMFOVHIBNZBFDY-UHFFFAOYSA-N 0 0 479.566 0.480 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 ZINC000619530504 1069156661 /nfs/dbraw/zinc/15/66/61/1069156661.db2.gz WMRMOJDHRJKUDE-KRWDZBQOSA-N 0 0 472.608 0.672 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 ZINC000619530505 1069156786 /nfs/dbraw/zinc/15/67/86/1069156786.db2.gz WMRMOJDHRJKUDE-QGZVFWFLSA-N 0 0 472.608 0.672 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccc(OC)cc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000619537413 1069156847 /nfs/dbraw/zinc/15/68/47/1069156847.db2.gz CWFMWVHXHPKUHP-UHFFFAOYSA-N 0 0 488.997 0.709 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccc(OC)cc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000619537677 1069157438 /nfs/dbraw/zinc/15/74/38/1069157438.db2.gz YIYXKEKQKIWWCY-UHFFFAOYSA-N 0 0 491.013 0.933 20 30 JCEDRN Cn1c(=O)c(=Cc2ccc(OC(F)(F)F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000619538265 1069156794 /nfs/dbraw/zinc/15/67/94/1069156794.db2.gz YRMBFSIVBMZHSG-UHFFFAOYSA-N 0 0 482.484 0.297 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c(Cl)c1 ZINC000619538267 1069156741 /nfs/dbraw/zinc/15/67/41/1069156741.db2.gz ZGMKTPLUCTWIMO-UHFFFAOYSA-N 0 0 462.959 0.060 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCN1CCOCC1 ZINC000619538293 1069156836 /nfs/dbraw/zinc/15/68/36/1069156836.db2.gz HJRDFDRPPDJLBL-UHFFFAOYSA-N 0 0 462.959 0.153 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c(Cl)c1 ZINC000619538300 1069156766 /nfs/dbraw/zinc/15/67/66/1069156766.db2.gz IZTXXENHOZXAQQ-UHFFFAOYSA-N 0 0 488.997 0.686 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCN1CCOCC1 ZINC000619538301 1069157455 /nfs/dbraw/zinc/15/74/55/1069157455.db2.gz JFLCLZNJFPGOKA-UHFFFAOYSA-N 0 0 488.997 0.709 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CCN1CCOCC1 ZINC000619538324 1069157652 /nfs/dbraw/zinc/15/76/52/1069157652.db2.gz VKDGRUVBIKGNQQ-UHFFFAOYSA-N 0 0 482.484 0.390 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538529 1069157495 /nfs/dbraw/zinc/15/74/95/1069157495.db2.gz FGNZTPAWFLXIMW-UHFFFAOYSA-N 0 0 465.487 0.625 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538558 1069157640 /nfs/dbraw/zinc/15/76/40/1069157640.db2.gz JUWDIMRQQPRBAO-UHFFFAOYSA-N 0 0 493.541 0.944 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538574 1069157636 /nfs/dbraw/zinc/15/76/36/1069157636.db2.gz LYECCVFICVNASS-UHFFFAOYSA-N 0 0 464.459 0.827 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538582 1069158339 /nfs/dbraw/zinc/15/83/39/1069158339.db2.gz MKGPPCQZXIDHJS-UHFFFAOYSA-N 0 0 463.515 0.936 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538623 1069158302 /nfs/dbraw/zinc/15/83/02/1069158302.db2.gz FOUWSQKQIKAARN-UHFFFAOYSA-N 0 0 464.503 0.331 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538632 1069158352 /nfs/dbraw/zinc/15/83/52/1069158352.db2.gz QFOONQZLMZJAEE-UHFFFAOYSA-N 0 0 453.476 0.529 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538644 1069158090 /nfs/dbraw/zinc/15/80/90/1069158090.db2.gz HJESVYFQBQSBAN-UHFFFAOYSA-N 0 0 478.530 0.721 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538665 1069158483 /nfs/dbraw/zinc/15/84/83/1069158483.db2.gz QKANVPFBILHIPA-UHFFFAOYSA-N 0 0 469.544 0.997 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538678 1069157400 /nfs/dbraw/zinc/15/74/00/1069157400.db2.gz RITIOTQGKBNPSM-UHFFFAOYSA-N 0 0 478.530 0.721 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538684 1069157480 /nfs/dbraw/zinc/15/74/80/1069157480.db2.gz RTQMGWBRSFYZLS-UHFFFAOYSA-N 0 0 464.503 0.331 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538688 1069157590 /nfs/dbraw/zinc/15/75/90/1069157590.db2.gz SKMZOFSPDZXJQT-UHFFFAOYSA-N 0 0 464.459 0.827 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538701 1069157528 /nfs/dbraw/zinc/15/75/28/1069157528.db2.gz SUJDNJKLJATZHP-UHFFFAOYSA-N 0 0 493.541 0.944 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc4c(c3)OCCO4)c2=O)o1 ZINC000619538704 1069157424 /nfs/dbraw/zinc/15/74/24/1069157424.db2.gz MPRNCMZMJCQXAT-UHFFFAOYSA-N 0 0 479.514 0.934 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2-c2ccc3c(c2)OCCO3)CC1 ZINC000619538710 1069157550 /nfs/dbraw/zinc/15/75/50/1069157550.db2.gz TVTQBLYTNDCORV-UHFFFAOYSA-N 0 0 492.557 0.930 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538716 1069157471 /nfs/dbraw/zinc/15/74/71/1069157471.db2.gz NYGLJHXJJCFINS-UHFFFAOYSA-N 0 0 467.503 0.837 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538745 1069157646 /nfs/dbraw/zinc/15/76/46/1069157646.db2.gz PQIXUEPHOUEHNH-UHFFFAOYSA-N 0 0 493.541 0.944 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538749 1069157537 /nfs/dbraw/zinc/15/75/37/1069157537.db2.gz PZOQKNCDVJMIFP-UHFFFAOYSA-N 0 0 476.514 0.427 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538762 1069157661 /nfs/dbraw/zinc/15/76/61/1069157661.db2.gz ZGPVVTALIWGLEO-UHFFFAOYSA-N 0 0 464.459 0.827 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000619538893 1069157510 /nfs/dbraw/zinc/15/75/10/1069157510.db2.gz XDNRVSNRRFCTTJ-UHFFFAOYSA-N 0 0 469.544 0.997 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC(F)(F)F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000619539307 1069157628 /nfs/dbraw/zinc/15/76/28/1069157628.db2.gz CQJCQGDCARBUSK-UHFFFAOYSA-N 0 0 496.511 0.780 20 30 JCEDRN CCn1c(=O)c(=Cc2ccc(OC)cc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000619539334 1069157566 /nfs/dbraw/zinc/15/75/66/1069157566.db2.gz KYXKPGAMIXKWMT-UHFFFAOYSA-N 0 0 476.986 0.543 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 ZINC000619584831 1069158995 /nfs/dbraw/zinc/15/89/95/1069158995.db2.gz AQIVOMFEUYNJHY-UHFFFAOYSA-N 0 0 480.524 0.202 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 ZINC000619584860 1069159155 /nfs/dbraw/zinc/15/91/55/1069159155.db2.gz RHHYKWJGROJLLU-UHFFFAOYSA-N 0 0 480.524 0.202 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000619807268 1069163269 /nfs/dbraw/zinc/16/32/69/1069163269.db2.gz ZIVGSLOJRJFGPK-UHFFFAOYSA-N 0 0 463.560 0.390 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1=O ZINC000620119736 1069173208 /nfs/dbraw/zinc/17/32/08/1069173208.db2.gz DFCBIDOMLMVGDO-UHFFFAOYSA-N 0 0 454.892 0.150 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1 ZINC000620411701 1069183586 /nfs/dbraw/zinc/18/35/86/1069183586.db2.gz ISBPGDPPMIKCFZ-UHFFFAOYSA-N 0 0 457.468 0.874 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCN1CCOCC1 ZINC000623008950 1069233958 /nfs/dbraw/zinc/23/39/58/1069233958.db2.gz KIHASKCJXLNWQF-UHFFFAOYSA-N 0 0 481.574 0.885 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)C1CCC1 ZINC000623010605 1069233478 /nfs/dbraw/zinc/23/34/78/1069233478.db2.gz GFZHJSMUXAWBMP-UHFFFAOYSA-N 0 0 473.576 0.274 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)C1CCC1 ZINC000623010645 1069233629 /nfs/dbraw/zinc/23/36/29/1069233629.db2.gz PFGWTQIWBBJPIU-UHFFFAOYSA-N 0 0 480.525 0.590 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc(OC)c1OC ZINC000623010652 1069233574 /nfs/dbraw/zinc/23/35/74/1069233574.db2.gz PZYLLIVVVSMGKZ-UHFFFAOYSA-N 0 0 485.562 0.896 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000623010701 1069233524 /nfs/dbraw/zinc/23/35/24/1069233524.db2.gz XRUKAAAQKUCBQN-UHFFFAOYSA-N 0 0 469.563 0.895 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)C1=O ZINC000623190906 1069237283 /nfs/dbraw/zinc/23/72/83/1069237283.db2.gz OIBUVMZUKXXLMR-UHFFFAOYSA-N 0 0 468.470 0.366 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)C1=O ZINC000623206662 1069238879 /nfs/dbraw/zinc/23/88/79/1069238879.db2.gz SRHMLFKBYNNJTQ-UHFFFAOYSA-N 0 0 484.900 0.511 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)C1=O ZINC000623209531 1069239272 /nfs/dbraw/zinc/23/92/72/1069239272.db2.gz MUCDZYHGDPPBDI-HNNXBMFYSA-N 0 0 452.471 0.919 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)C1=O ZINC000623209532 1069238836 /nfs/dbraw/zinc/23/88/36/1069238836.db2.gz MUCDZYHGDPPBDI-OAHLLOKOSA-N 0 0 452.471 0.919 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1=O ZINC000623212434 1069238950 /nfs/dbraw/zinc/23/89/50/1069238950.db2.gz DIEIULNTAQRQOF-UHFFFAOYSA-N 0 0 499.343 0.259 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)C1=O ZINC000623221869 1069237803 /nfs/dbraw/zinc/23/78/03/1069237803.db2.gz QQLZQQWOCKVMMK-UHFFFAOYSA-N 0 0 458.471 0.401 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O ZINC000623224108 1069237754 /nfs/dbraw/zinc/23/77/54/1069237754.db2.gz KQJRILUIFIEAJM-UHFFFAOYSA-N 0 0 478.303 0.998 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000623224132 1069237586 /nfs/dbraw/zinc/23/75/86/1069237586.db2.gz UVJVMGKKJOCSMW-GFCCVEGCSA-N 0 0 478.303 0.998 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000623224133 1069238379 /nfs/dbraw/zinc/23/83/79/1069238379.db2.gz UVJVMGKKJOCSMW-LBPRGKRZSA-N 0 0 478.303 0.998 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)C1=O ZINC000623224367 1069238034 /nfs/dbraw/zinc/23/80/34/1069238034.db2.gz DZASNAQTSAFQPM-UHFFFAOYSA-N 0 0 488.497 0.897 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)C1=O ZINC000623229447 1069238849 /nfs/dbraw/zinc/23/88/49/1069238849.db2.gz ZRBDJUJVJNULEN-UHFFFAOYSA-N 0 0 454.530 0.175 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)C1=O ZINC000623230361 1069239095 /nfs/dbraw/zinc/23/90/95/1069239095.db2.gz QYSFEXFLVZSQRD-UHFFFAOYSA-N 0 0 462.528 0.542 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)C1=O ZINC000623230666 1069239286 /nfs/dbraw/zinc/23/92/86/1069239286.db2.gz QBQGCCZSNAFUOY-UHFFFAOYSA-N 0 0 453.455 0.415 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O ZINC000623689861 1069242696 /nfs/dbraw/zinc/24/26/96/1069242696.db2.gz BBVBRDBHSUOWKU-UHFFFAOYSA-N 0 0 460.921 0.211 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000623771478 1069253814 /nfs/dbraw/zinc/25/38/14/1069253814.db2.gz WPRFIVIZRGZUPW-UHFFFAOYSA-N 0 0 459.594 0.192 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O ZINC000624255010 1069260293 /nfs/dbraw/zinc/26/02/93/1069260293.db2.gz VNAXDGRHJYOADZ-UHFFFAOYSA-N 0 0 474.948 0.601 20 30 JCEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C(N)=O)C(N)=O)c1 ZINC000637274663 1068080538 /nfs/dbraw/zinc/08/05/38/1068080538.db2.gz DFUJTPKHMAJAQQ-UHFFFAOYSA-N 0 0 450.904 0.790 20 30 JCEDRN C=CCn1c(N)nnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000641980701 1070545164 /nfs/dbraw/zinc/54/51/64/1070545164.db2.gz RJABBOTYBNFYLE-UHFFFAOYSA-N 0 0 468.561 0.807 20 30 JCEDRN C=CCn1c(N)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000641980735 1070545120 /nfs/dbraw/zinc/54/51/20/1070545120.db2.gz YGCWQEGWQRNDGE-UHFFFAOYSA-N 0 0 452.562 1.106 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCCN(S(C)(=O)=O)CC3)n2c2ccccc2c1=O ZINC000642026309 1070550199 /nfs/dbraw/zinc/55/01/99/1070550199.db2.gz DDRHDGYJMRWJCQ-UHFFFAOYSA-N 0 0 476.584 0.816 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(CCN2CCOCC2)c1=O ZINC000642092634 1070556893 /nfs/dbraw/zinc/55/68/93/1070556893.db2.gz VWGGGCXHSBOYGD-UHFFFAOYSA-N 0 0 467.526 0.501 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)cc2C1=O ZINC000642171191 1070566399 /nfs/dbraw/zinc/56/63/99/1070566399.db2.gz LZKVNRHMEKYXPW-HOTGVXAUSA-N 0 0 476.555 0.580 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)cc2C1=O ZINC000642171192 1070566475 /nfs/dbraw/zinc/56/64/75/1070566475.db2.gz LZKVNRHMEKYXPW-HZPDHXFCSA-N 0 0 476.555 0.580 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)CC3)cc2C1=O ZINC000642171193 1070566524 /nfs/dbraw/zinc/56/65/24/1070566524.db2.gz LZKVNRHMEKYXPW-IYBDPMFKSA-N 0 0 476.555 0.580 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)n2c2ccccc2c1=O ZINC000642200128 1070570725 /nfs/dbraw/zinc/57/07/25/1070570725.db2.gz VGCMJIPRCKLVPW-UHFFFAOYSA-N 0 0 497.581 0.518 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NC3CCN(S(C)(=O)=O)CC3)n2c2ccccc2c1=O ZINC000642216261 1070572961 /nfs/dbraw/zinc/57/29/61/1070572961.db2.gz OPFOEZUVZHZKRC-UHFFFAOYSA-N 0 0 476.584 0.863 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCC3(C(N)=O)CCOCC3)n2c2ccccc2c1=O ZINC000642248853 1067792768 /nfs/dbraw/zinc/79/27/68/1067792768.db2.gz JSTQEKVGYOCTJY-UHFFFAOYSA-N 0 0 456.528 0.721 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCN3CCS(=O)(=O)CC3)n2c2ccccc2c1=O ZINC000642252830 1067793008 /nfs/dbraw/zinc/79/30/08/1067793008.db2.gz OHYIUMJDCNYICG-UHFFFAOYSA-N 0 0 476.584 0.169 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCCN(C)S(C)(=O)=O)n2c2ccccc2c1=O ZINC000642277505 1070577766 /nfs/dbraw/zinc/57/77/66/1070577766.db2.gz TVUMYHHEWMVARA-UHFFFAOYSA-N 0 0 464.573 0.720 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc2C1=O ZINC000642284822 1070578369 /nfs/dbraw/zinc/57/83/69/1070578369.db2.gz LGHXSIYYOXKRBD-UHFFFAOYSA-N 0 0 468.491 0.841 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000642375331 1070584908 /nfs/dbraw/zinc/58/49/08/1070584908.db2.gz UFWWNLDKLIEZPG-UHFFFAOYSA-N 0 0 464.569 0.761 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000642375374 1070584879 /nfs/dbraw/zinc/58/48/79/1070584879.db2.gz YUPYCFVGHNQUMA-UHFFFAOYSA-N 0 0 464.569 0.761 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)NCCN3CCN(C(C)=O)CC3)n2c2ccccc2c1=O ZINC000642518843 1070595033 /nfs/dbraw/zinc/59/50/33/1070595033.db2.gz HTWNCUVOFKWQQW-UHFFFAOYSA-N 0 0 469.571 0.603 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)cc2C1=O ZINC000642547239 1070597417 /nfs/dbraw/zinc/59/74/17/1070597417.db2.gz IZGLHUFAUFCKQX-UHFFFAOYSA-N 0 0 472.479 0.307 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000642559259 1070599062 /nfs/dbraw/zinc/59/90/62/1070599062.db2.gz IDXFZEFRCVWLLQ-UHFFFAOYSA-N 0 0 478.552 0.524 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 ZINC000642709606 1069579180 /nfs/dbraw/zinc/57/91/80/1069579180.db2.gz AHTYGVAJULEEDR-UHFFFAOYSA-N 0 0 476.559 1.578 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000642709698 1070614371 /nfs/dbraw/zinc/61/43/71/1070614371.db2.gz RJPPYSHTBOVSJV-UHFFFAOYSA-N 0 0 479.559 0.028 20 30 JCEDRN C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F ZINC000642721156 1070618046 /nfs/dbraw/zinc/61/80/46/1070618046.db2.gz HZVPGMSQJQWLRS-UHFFFAOYSA-N 0 0 451.423 0.889 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000642723237 1070619456 /nfs/dbraw/zinc/61/94/56/1070619456.db2.gz HRNRZTGJWNSEJT-UHFFFAOYSA-N 0 0 480.568 0.438 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000642786236 1070628601 /nfs/dbraw/zinc/62/86/01/1070628601.db2.gz ZSBSTCLIBOVCKW-UHFFFAOYSA-N 0 0 472.570 0.457 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000642786940 1070629289 /nfs/dbraw/zinc/62/92/89/1070629289.db2.gz SCHSTSWBHPGBQX-UHFFFAOYSA-N 0 0 491.570 0.803 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000642899314 1070639139 /nfs/dbraw/zinc/63/91/39/1070639139.db2.gz PGBSRFKTIWAHCH-AWEZNQCLSA-N 0 0 480.568 0.956 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000642899315 1070639128 /nfs/dbraw/zinc/63/91/28/1070639128.db2.gz PGBSRFKTIWAHCH-CQSZACIVSA-N 0 0 480.568 0.956 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)cc1 ZINC000642936945 1070642974 /nfs/dbraw/zinc/64/29/74/1070642974.db2.gz MDWJFHJYTXXJLG-UHFFFAOYSA-N 0 0 494.595 0.797 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000642949175 1070648367 /nfs/dbraw/zinc/64/83/67/1070648367.db2.gz WVUBUTVMKBBXAF-UHFFFAOYSA-N 0 0 494.595 0.998 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 ZINC000642956094 1070652945 /nfs/dbraw/zinc/65/29/45/1070652945.db2.gz MPYMPOSOGJBZRJ-IBGZPJMESA-N 0 0 452.577 0.905 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 ZINC000642956095 1067902552 /nfs/dbraw/zinc/90/25/52/1067902552.db2.gz MPYMPOSOGJBZRJ-LJQANCHMSA-N 0 0 452.577 0.905 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000642966554 1070659933 /nfs/dbraw/zinc/65/99/33/1070659933.db2.gz UTMHTYMAWZACGW-UHFFFAOYSA-N 0 0 494.595 0.835 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)CCC)CC2)cc1 ZINC000642975627 1070666283 /nfs/dbraw/zinc/66/62/83/1070666283.db2.gz OSXJZQYTSWOYDY-UHFFFAOYSA-N 0 0 486.616 0.752 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)cc1 ZINC000642984209 1070671682 /nfs/dbraw/zinc/67/16/82/1070671682.db2.gz MVQYEXHDZSEQAJ-UHFFFAOYSA-N 0 0 473.555 0.980 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccnc2N2CCOCC2)cc1 ZINC000642991486 1070673037 /nfs/dbraw/zinc/67/30/37/1070673037.db2.gz JAHKSJQGVZIXMV-UHFFFAOYSA-N 0 0 473.555 0.980 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000643021297 1070685132 /nfs/dbraw/zinc/68/51/32/1070685132.db2.gz DIOVNMRCHQGHMT-UHFFFAOYSA-N 0 0 480.568 0.656 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)cc1 ZINC000643040836 1070690490 /nfs/dbraw/zinc/69/04/90/1070690490.db2.gz XZBWUPHKOGYGDJ-UHFFFAOYSA-N 0 0 479.603 0.538 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN(C)S(=O)(=O)CC)cc1 ZINC000643057442 1070697661 /nfs/dbraw/zinc/69/76/61/1070697661.db2.gz YYOHOOMCNMBFDW-UHFFFAOYSA-N 0 0 460.578 0.219 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 ZINC000643064332 1070700769 /nfs/dbraw/zinc/70/07/69/1070700769.db2.gz HVZBOJZPCKLPHA-UHFFFAOYSA-N 0 0 460.578 0.266 20 30 JCEDRN O=C(CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000643077813 1070703435 /nfs/dbraw/zinc/70/34/35/1070703435.db2.gz HHAVLLATJQYRJG-KRWDZBQOSA-N 0 0 459.549 0.896 20 30 JCEDRN O=C(CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000643077814 1070703454 /nfs/dbraw/zinc/70/34/54/1070703454.db2.gz HHAVLLATJQYRJG-QGZVFWFLSA-N 0 0 459.549 0.896 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 ZINC000643083291 1070706336 /nfs/dbraw/zinc/70/63/36/1070706336.db2.gz SOOGQDBNUGGNJT-UHFFFAOYSA-N 0 0 494.595 0.667 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000643084823 1070706912 /nfs/dbraw/zinc/70/69/12/1070706912.db2.gz NXDFZYHCJPVMPP-UHFFFAOYSA-N 0 0 494.595 0.998 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000643131253 1070711555 /nfs/dbraw/zinc/71/15/55/1070711555.db2.gz RSMAZSDNJJCZOD-UHFFFAOYSA-N 0 0 458.378 0.810 20 30 JCEDRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#Cc3ccccc3)CC2)cc1 ZINC000643646591 1067744365 /nfs/dbraw/zinc/74/43/65/1067744365.db2.gz XZONSPXXHZOJEB-UHFFFAOYSA-N 0 0 461.565 0.903 20 30 JCEDRN COCCCn1cc(C(=O)c2cc(OC)ccc2OCc2cc(=O)n(C)c(=O)n2C)cc(C#N)c1=O ZINC000643821758 1070719512 /nfs/dbraw/zinc/71/95/12/1070719512.db2.gz BRPCCHFRACTDDC-UHFFFAOYSA-N 0 0 494.504 0.972 20 30 JCEDRN COCCn1cc(C(=O)c2cc(F)ccc2OCc2cc(=O)n(C)c(=O)n2C)cc(C#N)c1=O ZINC000643830334 1067857730 /nfs/dbraw/zinc/85/77/30/1067857730.db2.gz PUYOFUFDTZLTLO-UHFFFAOYSA-N 0 0 468.441 0.713 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1=O ZINC000644526007 1070722498 /nfs/dbraw/zinc/72/24/98/1070722498.db2.gz BCNZLCOVOAHOKI-UHFFFAOYSA-N 0 0 489.554 0.357 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)c1=O ZINC000648472082 1069918890 /nfs/dbraw/zinc/91/88/90/1069918890.db2.gz PUBKXDJHWQIMPE-UHFFFAOYSA-N 0 0 474.543 0.212 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)c3c(N)n(CCOC)c(=O)[nH]c3=O)n2c2ccccc2c1=O ZINC000669478807 1070709114 /nfs/dbraw/zinc/70/91/14/1070709114.db2.gz LJKGWBWGZLOHFH-UHFFFAOYSA-N 0 0 483.510 0.696 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)CC1 ZINC000673038114 1069507346 /nfs/dbraw/zinc/50/73/46/1069507346.db2.gz FKUIQWBZKCRNQF-UHFFFAOYSA-N 0 0 451.593 0.644 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1=O ZINC000680299648 1070858628 /nfs/dbraw/zinc/85/86/28/1070858628.db2.gz PWMPLHGSXWZHNN-UHFFFAOYSA-N 0 0 460.512 0.727 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1=O ZINC000680300270 1070858946 /nfs/dbraw/zinc/85/89/46/1070858946.db2.gz XAUOZUHWMNZZTL-UHFFFAOYSA-N 0 0 460.512 0.727 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000680517569 1070861878 /nfs/dbraw/zinc/86/18/78/1070861878.db2.gz NPDACVUJHTUISU-UHFFFAOYSA-N 0 0 476.599 0.736 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000680761434 1070863122 /nfs/dbraw/zinc/86/31/22/1070863122.db2.gz SLDXZWNJGLBXFZ-UHFFFAOYSA-N 0 0 473.393 0.564 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 ZINC000684665020 1067800578 /nfs/dbraw/zinc/80/05/78/1067800578.db2.gz LBGLBQNRTWTKKE-UHFFFAOYSA-N 0 0 476.603 0.203 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)cc1 ZINC000725737674 1070875063 /nfs/dbraw/zinc/87/50/63/1070875063.db2.gz PRQRZNJCNSYXEQ-UHFFFAOYSA-N 0 0 452.496 0.758 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)c1 ZINC000725737715 1070875313 /nfs/dbraw/zinc/87/53/13/1070875313.db2.gz QDISQEQARJBUMZ-UHFFFAOYSA-N 0 0 452.496 0.758 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000725737720 1070875235 /nfs/dbraw/zinc/87/52/35/1070875235.db2.gz QEEJCKKFFVBMFU-UHFFFAOYSA-N 0 0 467.511 0.662 20 30 JCEDRN CC(=O)N1CCN(c2ccccc2CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000725744594 1070875957 /nfs/dbraw/zinc/87/59/57/1070875957.db2.gz RUDDSGRDTXPLQQ-UHFFFAOYSA-N 0 0 455.540 0.710 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCS1(=O)=O ZINC000725759887 1070876407 /nfs/dbraw/zinc/87/64/07/1070876407.db2.gz IMYDBUCQXWFUFC-INIZCTEOSA-N 0 0 456.590 0.682 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCS1(=O)=O ZINC000725759889 1070876777 /nfs/dbraw/zinc/87/67/77/1070876777.db2.gz IMYDBUCQXWFUFC-MRXNPFEDSA-N 0 0 456.590 0.682 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCCS1(=O)=O ZINC000725761463 1070876693 /nfs/dbraw/zinc/87/66/93/1070876693.db2.gz RUXXSHSIUPKCGU-UHFFFAOYSA-N 0 0 456.590 0.827 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCS1(=O)=O ZINC000725761722 1070876622 /nfs/dbraw/zinc/87/66/22/1070876622.db2.gz UIBUDGPJAVJONE-INIZCTEOSA-N 0 0 456.590 0.826 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCS1(=O)=O ZINC000725761724 1070876824 /nfs/dbraw/zinc/87/68/24/1070876824.db2.gz UIBUDGPJAVJONE-MRXNPFEDSA-N 0 0 456.590 0.826 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1OC ZINC000725762233 1070876485 /nfs/dbraw/zinc/87/64/85/1070876485.db2.gz ICOXRGYFPYSGTF-UHFFFAOYSA-N 0 0 470.551 0.685 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cc1OC ZINC000725762653 1070876265 /nfs/dbraw/zinc/87/62/65/1070876265.db2.gz QUDXSNGSUNXNFM-UHFFFAOYSA-N 0 0 473.551 0.754 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)cc1OC ZINC000725762772 1070877347 /nfs/dbraw/zinc/87/73/47/1070877347.db2.gz SREKSRFXYNUDTO-UHFFFAOYSA-N 0 0 475.567 1.000 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(-c3ccccc3)c2)sc1=C(C#N)C(=O)NCCOC ZINC000725762924 1070876997 /nfs/dbraw/zinc/87/69/97/1070876997.db2.gz AJWDQVDXMHENRT-UHFFFAOYSA-N 0 0 467.551 0.398 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3C)c(=O)n2CCOC)CC1 ZINC000725762954 1070877093 /nfs/dbraw/zinc/87/70/93/1070877093.db2.gz WZPBCXPIQYNYNC-UHFFFAOYSA-N 0 0 458.559 0.671 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000725762955 1070877223 /nfs/dbraw/zinc/87/72/23/1070877223.db2.gz ARMODKAJJSODJZ-HNNXBMFYSA-N 0 0 461.588 0.552 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000725762956 1070877169 /nfs/dbraw/zinc/87/71/69/1070877169.db2.gz ARMODKAJJSODJZ-OAHLLOKOSA-N 0 0 461.588 0.552 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000725762968 1070877478 /nfs/dbraw/zinc/87/74/78/1070877478.db2.gz BCEJRZHSPZXVRC-UHFFFAOYSA-N 0 0 486.642 0.565 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(-c3ccccc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725762982 1070877321 /nfs/dbraw/zinc/87/73/21/1070877321.db2.gz BGWCMJOKXOUFJI-UHFFFAOYSA-N 0 0 479.562 0.494 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)c1ccc2c(c1)OCO2 ZINC000725763075 1070877533 /nfs/dbraw/zinc/87/75/33/1070877533.db2.gz CWVOEUQZBGITLJ-UHFFFAOYSA-N 0 0 452.492 0.794 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725763374 1070876594 /nfs/dbraw/zinc/87/65/94/1070876594.db2.gz IJXQDVKKERCDKZ-UHFFFAOYSA-N 0 0 493.589 0.553 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3cccnc23)sc1=C(C#N)C(=O)NCCOC ZINC000725763404 1070877142 /nfs/dbraw/zinc/87/71/42/1070877142.db2.gz JXBXRZLZFHHVBC-UHFFFAOYSA-N 0 0 452.536 0.760 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000725763416 1070877275 /nfs/dbraw/zinc/87/72/75/1070877275.db2.gz KIUYWJSMMIXFOA-UHFFFAOYSA-N 0 0 463.563 0.973 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOCC ZINC000725763428 1070877412 /nfs/dbraw/zinc/87/74/12/1070877412.db2.gz KWNCJPUAJBOAGZ-UHFFFAOYSA-N 0 0 486.506 0.431 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725763454 1070876292 /nfs/dbraw/zinc/87/62/92/1070876292.db2.gz LUJZHKSPHWPIFX-UHFFFAOYSA-N 0 0 459.572 0.260 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(Cl)ccc2OC)sc1=C(C#N)C(=O)NCCOC ZINC000725763524 1070876534 /nfs/dbraw/zinc/87/65/34/1070876534.db2.gz NDICDWZDKVQVAP-UHFFFAOYSA-N 0 0 465.959 0.874 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)n(-c3cc(C)on3)c2C)sc1=C(C#N)C(=O)NCCOC ZINC000725763609 1070876380 /nfs/dbraw/zinc/87/63/80/1070876380.db2.gz OBAJJBUFDOOXOM-UHFFFAOYSA-N 0 0 499.593 0.916 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(Cl)ccc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725763659 1070877369 /nfs/dbraw/zinc/87/73/69/1070877369.db2.gz QXGUTMWIXQAKHP-UHFFFAOYSA-N 0 0 477.970 0.970 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000725763679 1070877019 /nfs/dbraw/zinc/87/70/19/1070877019.db2.gz RWEIGTPRLQDBJQ-UHFFFAOYSA-N 0 0 461.613 0.378 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1CCOCC ZINC000725763686 1070877194 /nfs/dbraw/zinc/87/71/94/1070877194.db2.gz SIZRDUSTTQMNMP-UHFFFAOYSA-N 0 0 463.563 0.996 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cccc3cccnc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725763766 1070877709 /nfs/dbraw/zinc/87/77/09/1070877709.db2.gz TYJVDVRECPOKKB-UHFFFAOYSA-N 0 0 464.547 0.856 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnc(C(C)(C)C)s2)sc1=C(C#N)C(=O)NCCOC ZINC000725763826 1070878023 /nfs/dbraw/zinc/87/80/23/1070878023.db2.gz VPRKMDAVXQSSGA-UHFFFAOYSA-N 0 0 464.613 0.966 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725763839 1070877998 /nfs/dbraw/zinc/87/79/98/1070877998.db2.gz VWTBJHYLCOLGSN-UHFFFAOYSA-N 0 0 491.573 0.765 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)NCCOC ZINC000725763920 1070877733 /nfs/dbraw/zinc/87/77/33/1070877733.db2.gz ZWRJRKQTGGFEMH-UHFFFAOYSA-N 0 0 479.562 0.669 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc3cccc(OC)c3o2)sc1=C(C#N)C(=O)NCCOC ZINC000725763926 1070877973 /nfs/dbraw/zinc/87/79/73/1070877973.db2.gz AIQTVYNXKSIEBQ-UHFFFAOYSA-N 0 0 471.535 0.967 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000725763948 1070877676 /nfs/dbraw/zinc/87/76/76/1070877676.db2.gz BQFAJDJULHGZPV-UHFFFAOYSA-N 0 0 492.605 0.532 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NC1CC1 ZINC000725763959 1070877821 /nfs/dbraw/zinc/87/78/21/1070877821.db2.gz CBBMSNKWTYFNLN-UHFFFAOYSA-N 0 0 450.524 0.309 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000725763985 1070877898 /nfs/dbraw/zinc/87/78/98/1070877898.db2.gz CSVJWALAZNDFSY-UHFFFAOYSA-N 0 0 481.534 0.593 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCOCC ZINC000725763986 1070878113 /nfs/dbraw/zinc/87/81/13/1070878113.db2.gz CURCHCYMQWSTHC-UHFFFAOYSA-N 0 0 452.540 0.556 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)n(C3CC3)c2C)sc1=C(C#N)C(=O)NCCOC ZINC000725764026 1070877873 /nfs/dbraw/zinc/87/78/73/1070877873.db2.gz FKQFTGYVRSPODV-UHFFFAOYSA-N 0 0 458.584 0.965 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(Cl)c([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725764063 1070877794 /nfs/dbraw/zinc/87/77/94/1070877794.db2.gz HTLSJXFUZIQITD-UHFFFAOYSA-N 0 0 492.941 0.870 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccc(Cl)c([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCOC ZINC000725764176 1070878143 /nfs/dbraw/zinc/87/81/43/1070878143.db2.gz JWBXJHLMSCGGJG-UHFFFAOYSA-N 0 0 480.930 0.774 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000725764226 1070877850 /nfs/dbraw/zinc/87/78/50/1070877850.db2.gz KIHNSDOEDRCNSA-UHFFFAOYSA-N 0 0 464.551 0.652 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCOCC ZINC000725764227 1070877763 /nfs/dbraw/zinc/87/77/63/1070877763.db2.gz KJCQXSLNPFLADQ-UHFFFAOYSA-N 0 0 466.567 0.946 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCOCC ZINC000725764269 1070877923 /nfs/dbraw/zinc/87/79/23/1070877923.db2.gz MCISVIBSFFNMQS-UHFFFAOYSA-N 0 0 450.524 0.332 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C(=O)NC ZINC000725764285 1070878045 /nfs/dbraw/zinc/87/80/45/1070878045.db2.gz MVQFEJHWHBDVDK-UHFFFAOYSA-N 0 0 483.331 0.800 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)n(CCOC)c2C)sc1=C(C#N)C(=O)NC1CC1 ZINC000725764290 1070877695 /nfs/dbraw/zinc/87/76/95/1070877695.db2.gz NAFTWYGFNQTPDX-UHFFFAOYSA-N 0 0 458.584 0.793 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725764312 1070877249 /nfs/dbraw/zinc/87/72/49/1070877249.db2.gz ONJRTOPZAJSTGO-UHFFFAOYSA-N 0 0 492.941 0.870 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)n(CCOC)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725764384 1070877455 /nfs/dbraw/zinc/87/74/55/1070877455.db2.gz RYELVDYDCRLXLD-UHFFFAOYSA-N 0 0 488.610 0.373 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NCC(C)C ZINC000725764387 1070877298 /nfs/dbraw/zinc/87/72/98/1070877298.db2.gz SDOHWYXTLWIHIO-UHFFFAOYSA-N 0 0 466.567 0.802 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2Cl)sc1=C(C#N)C(=O)NCCOC ZINC000725764390 1070877066 /nfs/dbraw/zinc/87/70/66/1070877066.db2.gz SFNXAIXRMDJLRZ-UHFFFAOYSA-N 0 0 480.930 0.774 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000725764401 1070877433 /nfs/dbraw/zinc/87/74/33/1070877433.db2.gz SNPFBBHFXWRLJX-UHFFFAOYSA-N 0 0 453.524 0.830 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NC(C)C ZINC000725764559 1070877391 /nfs/dbraw/zinc/87/73/91/1070877391.db2.gz XSXNAPMACKSNAK-UHFFFAOYSA-N 0 0 452.540 0.555 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)C[C@@H](C)O1 ZINC000725766401 1070879438 /nfs/dbraw/zinc/87/94/38/1070879438.db2.gz LJPKHFVTQHEKDO-DRSNIGMVSA-N 0 0 490.586 0.254 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)C[C@H](C)O1 ZINC000725766403 1070879287 /nfs/dbraw/zinc/87/92/87/1070879287.db2.gz LJPKHFVTQHEKDO-HYFFOGBASA-N 0 0 490.586 0.254 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)C[C@H](C)O1 ZINC000725766404 1070879070 /nfs/dbraw/zinc/87/90/70/1070879070.db2.gz LJPKHFVTQHEKDO-JKSBSHDWSA-N 0 0 490.586 0.254 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)C[C@@H](C)O1 ZINC000725766405 1070879130 /nfs/dbraw/zinc/87/91/30/1070879130.db2.gz LJPKHFVTQHEKDO-YVHKJVDXSA-N 0 0 490.586 0.254 20 30 JCEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC000725768154 1070880370 /nfs/dbraw/zinc/88/03/70/1070880370.db2.gz LAKDRJQIQXGYMS-JOCHJYFZSA-N 0 0 468.539 0.752 20 30 JCEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC000725768155 1070880777 /nfs/dbraw/zinc/88/07/77/1070880777.db2.gz LAKDRJQIQXGYMS-QFIPXVFZSA-N 0 0 468.539 0.752 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000725768368 1070880609 /nfs/dbraw/zinc/88/06/09/1070880609.db2.gz KKMXACOCPIZSRB-NRFANRHFSA-N 0 0 472.527 0.894 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000725768379 1070880584 /nfs/dbraw/zinc/88/05/84/1070880584.db2.gz KKMXACOCPIZSRB-OAQYLSRUSA-N 0 0 472.527 0.894 20 30 JCEDRN Cc1cc(NC(=O)CN2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)no1 ZINC000725769336 1070881222 /nfs/dbraw/zinc/88/12/22/1070881222.db2.gz TWYCLCLFHXXPCT-JOCHJYFZSA-N 0 0 451.487 0.836 20 30 JCEDRN Cc1cc(NC(=O)CN2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)no1 ZINC000725769338 1070881192 /nfs/dbraw/zinc/88/11/92/1070881192.db2.gz TWYCLCLFHXXPCT-QFIPXVFZSA-N 0 0 451.487 0.836 20 30 JCEDRN C#CCNC(=O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 ZINC000725772330 1070883107 /nfs/dbraw/zinc/88/31/07/1070883107.db2.gz SLXCINTXOGFRHA-HSZRJFAPSA-N 0 0 453.499 0.829 20 30 JCEDRN C#CCNC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 ZINC000725772335 1070883059 /nfs/dbraw/zinc/88/30/59/1070883059.db2.gz SLXCINTXOGFRHA-QHCPKHFHSA-N 0 0 453.499 0.829 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)c1=O ZINC000725775877 1070884078 /nfs/dbraw/zinc/88/40/78/1070884078.db2.gz KCOMEVVXMSIABL-UHFFFAOYSA-N 0 0 483.569 0.677 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1=O ZINC000725776160 1070884020 /nfs/dbraw/zinc/88/40/20/1070884020.db2.gz XQVKQJPRYXXVRF-UHFFFAOYSA-N 0 0 450.499 0.441 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1=O ZINC000725780730 1070883933 /nfs/dbraw/zinc/88/39/33/1070883933.db2.gz BBJZGMVJZWCORA-UHFFFAOYSA-N 0 0 490.358 0.722 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1=O ZINC000725786005 1070884049 /nfs/dbraw/zinc/88/40/49/1070884049.db2.gz YTMPURUAIBPEAQ-IBGZPJMESA-N 0 0 489.598 0.500 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1=O ZINC000725786006 1070884239 /nfs/dbraw/zinc/88/42/39/1070884239.db2.gz YTMPURUAIBPEAQ-LJQANCHMSA-N 0 0 489.598 0.500 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)NC3CCN(C(C)=O)CC3)CC2)cc1 ZINC000725792162 1070884128 /nfs/dbraw/zinc/88/41/28/1070884128.db2.gz KZEXHEPHUXLOIR-UHFFFAOYSA-N 0 0 493.586 0.929 20 30 JCEDRN NC(=NOCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000725792362 1070884258 /nfs/dbraw/zinc/88/42/58/1070884258.db2.gz ITNWFQRUJFTAJR-UHFFFAOYSA-N 0 0 495.580 0.945 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)NC3CCN(C(C)=O)CC3)CC2)cc1 ZINC000725793035 1070884217 /nfs/dbraw/zinc/88/42/17/1070884217.db2.gz ZPJVAAWFMPRHQM-UHFFFAOYSA-N 0 0 466.560 0.979 20 30 JCEDRN CC(C)CN(C(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000725793047 1070884336 /nfs/dbraw/zinc/88/43/36/1070884336.db2.gz UENNTVIYIFTZIL-FQEVSTJZSA-N 0 0 466.604 0.827 20 30 JCEDRN CC(C)CN(C(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000725793048 1070884152 /nfs/dbraw/zinc/88/41/52/1070884152.db2.gz UENNTVIYIFTZIL-HXUWFJFHSA-N 0 0 466.604 0.827 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CON=C(C)c1cnn(C)c1 ZINC000725794206 1070883992 /nfs/dbraw/zinc/88/39/92/1070883992.db2.gz PSYCQMYVNRSDGG-UHFFFAOYSA-N 0 0 451.505 0.829 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 ZINC000725816705 1070884969 /nfs/dbraw/zinc/88/49/69/1070884969.db2.gz PCIXZJXNIJNWAS-UHFFFAOYSA-N 0 0 454.442 0.650 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000725823753 1067856025 /nfs/dbraw/zinc/85/60/25/1067856025.db2.gz BFDULAKVUPMVIZ-UHFFFAOYSA-N 0 0 484.581 0.360 20 30 JCEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000725825728 1070886050 /nfs/dbraw/zinc/88/60/50/1070886050.db2.gz HFWUOUGLLKLAPQ-GFCCVEGCSA-N 0 0 474.504 0.338 20 30 JCEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000725825738 1070885947 /nfs/dbraw/zinc/88/59/47/1070885947.db2.gz HFWUOUGLLKLAPQ-LBPRGKRZSA-N 0 0 474.504 0.338 20 30 JCEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000725882758 1070888006 /nfs/dbraw/zinc/88/80/06/1070888006.db2.gz SEIKHBQYDHAKAK-UHFFFAOYSA-N 0 0 468.590 0.759 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)c1 ZINC000725916361 1070895828 /nfs/dbraw/zinc/89/58/28/1070895828.db2.gz AJLXYRRCSATARI-UHFFFAOYSA-N 0 0 453.498 0.594 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O ZINC000725917717 1070896653 /nfs/dbraw/zinc/89/66/53/1070896653.db2.gz DCVLIYNGNQXKOE-HSZRJFAPSA-N 0 0 498.517 0.981 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O ZINC000725917719 1070896531 /nfs/dbraw/zinc/89/65/31/1070896531.db2.gz DCVLIYNGNQXKOE-QHCPKHFHSA-N 0 0 498.517 0.981 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)c1 ZINC000725918548 1070896484 /nfs/dbraw/zinc/89/64/84/1070896484.db2.gz JDYODBIVJOGEMD-UHFFFAOYSA-N 0 0 451.482 0.041 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc1 ZINC000725920123 1070897833 /nfs/dbraw/zinc/89/78/33/1070897833.db2.gz WRLJUXNRKGVGIL-UHFFFAOYSA-N 0 0 453.498 0.594 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O ZINC000725921533 1070898287 /nfs/dbraw/zinc/89/82/87/1070898287.db2.gz QLBRZJYTVJOEFO-UHFFFAOYSA-N 0 0 456.484 0.980 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc1 ZINC000725922567 1070898418 /nfs/dbraw/zinc/89/84/18/1070898418.db2.gz QQKOAOZMTSIIQH-UHFFFAOYSA-N 0 0 451.482 0.041 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)ccc1F ZINC000725922904 1070898929 /nfs/dbraw/zinc/89/89/29/1070898929.db2.gz WNYGLBVRQRCOIM-UHFFFAOYSA-N 0 0 471.488 0.733 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3nncn3c2)CC1 ZINC000725931533 1070900323 /nfs/dbraw/zinc/90/03/23/1070900323.db2.gz HBYDDAKCLPUBRA-UHFFFAOYSA-N 0 0 454.468 0.291 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@H](O)CN3C(=O)c3ccc(F)cc3)CC2)o1 ZINC000725953782 1070905151 /nfs/dbraw/zinc/90/51/51/1070905151.db2.gz ULWSKDQLUKJQJL-HKUYNNGSSA-N 0 0 485.472 0.461 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H](O)CN3C(=O)c3ccc(F)cc3)CC2)o1 ZINC000725953785 1070905296 /nfs/dbraw/zinc/90/52/96/1070905296.db2.gz ULWSKDQLUKJQJL-IEBWSBKVSA-N 0 0 485.472 0.461 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)c3ccc(F)cc3)CC2)o1 ZINC000725953787 1070905189 /nfs/dbraw/zinc/90/51/89/1070905189.db2.gz ULWSKDQLUKJQJL-MJGOQNOKSA-N 0 0 485.472 0.461 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@H](O)CN3C(=O)c3ccc(F)cc3)CC2)o1 ZINC000725953794 1070905276 /nfs/dbraw/zinc/90/52/76/1070905276.db2.gz ULWSKDQLUKJQJL-PKOBYXMFSA-N 0 0 485.472 0.461 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)CC2CCCC2)CC1 ZINC000725989700 1070909582 /nfs/dbraw/zinc/90/95/82/1070909582.db2.gz VTSWKGLRGPKTLU-UHFFFAOYSA-N 0 0 476.555 0.631 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)c(NS(C)(=O)=O)c3)CC2)o1 ZINC000725994545 1070911136 /nfs/dbraw/zinc/91/11/36/1070911136.db2.gz ZKBQRHCDKGETQG-UHFFFAOYSA-N 0 0 465.463 0.871 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)C1=O ZINC000726036453 1070918171 /nfs/dbraw/zinc/91/81/71/1070918171.db2.gz KCGLFDDAMVBHSO-UHFFFAOYSA-N 0 0 480.880 0.643 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1=O ZINC000726037076 1070917959 /nfs/dbraw/zinc/91/79/59/1070917959.db2.gz NEGAEIUCZZEEAH-UHFFFAOYSA-N 0 0 462.890 0.504 20 30 JCEDRN CC(C)[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1=O ZINC000726039926 1070918671 /nfs/dbraw/zinc/91/86/71/1070918671.db2.gz QHRDRWQKVCZECY-NRFANRHFSA-N 0 0 476.555 0.581 20 30 JCEDRN CC(C)[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1=O ZINC000726039931 1070918645 /nfs/dbraw/zinc/91/86/45/1070918645.db2.gz QHRDRWQKVCZECY-OAQYLSRUSA-N 0 0 476.555 0.581 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000726041290 1070918841 /nfs/dbraw/zinc/91/88/41/1070918841.db2.gz ZSUJPKPWGNMCGE-GASCZTMLSA-N 0 0 458.471 0.759 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000726041299 1070918871 /nfs/dbraw/zinc/91/88/71/1070918871.db2.gz ZSUJPKPWGNMCGE-GJZGRUSLSA-N 0 0 458.471 0.759 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O ZINC000726041302 1070918785 /nfs/dbraw/zinc/91/87/85/1070918785.db2.gz ZSUJPKPWGNMCGE-HUUCEWRRSA-N 0 0 458.471 0.759 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1=O ZINC000726041959 1070919507 /nfs/dbraw/zinc/91/95/07/1070919507.db2.gz AEAJWOQSOPOELC-HNNXBMFYSA-N 0 0 462.503 0.004 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1=O ZINC000726041960 1070919483 /nfs/dbraw/zinc/91/94/83/1070919483.db2.gz AEAJWOQSOPOELC-OAHLLOKOSA-N 0 0 462.503 0.004 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C(=O)NCc3ccc(C)cc3)s2)C1=O ZINC000726041962 1070919238 /nfs/dbraw/zinc/91/92/38/1070919238.db2.gz AKNVZGDJWWXOIR-UHFFFAOYSA-N 0 0 457.468 0.797 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1=O ZINC000726042018 1070920144 /nfs/dbraw/zinc/92/01/44/1070920144.db2.gz BSGILJOGHBQCTR-UHFFFAOYSA-N 0 0 459.383 0.141 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1=O ZINC000726042053 1070920162 /nfs/dbraw/zinc/92/01/62/1070920162.db2.gz COFXIAJWOTZGFF-UHFFFAOYSA-N 0 0 451.819 0.960 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)C1=O ZINC000726042075 1070920207 /nfs/dbraw/zinc/92/02/07/1070920207.db2.gz DIDWLULTZQNRCJ-UHFFFAOYSA-N 0 0 453.455 0.625 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)C1=O ZINC000726042084 1070920171 /nfs/dbraw/zinc/92/01/71/1070920171.db2.gz BGKNPKCYMGJRHH-UHFFFAOYSA-N 0 0 481.259 0.024 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)C1=O ZINC000726042099 1070920107 /nfs/dbraw/zinc/92/01/07/1070920107.db2.gz BSYMVOOJZUWWQV-UHFFFAOYSA-N 0 0 463.468 0.102 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1=O ZINC000726042153 1070920029 /nfs/dbraw/zinc/92/00/29/1070920029.db2.gz DYVHJPNPUOEHDZ-UHFFFAOYSA-N 0 0 450.835 0.223 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1=O ZINC000726042194 1068120995 /nfs/dbraw/zinc/12/09/95/1068120995.db2.gz FQRCUIMGVWDRMR-UHFFFAOYSA-N 0 0 459.383 0.141 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1=O ZINC000726042228 1070920133 /nfs/dbraw/zinc/92/01/33/1070920133.db2.gz GPAJGZRRRNZQGP-UHFFFAOYSA-N 0 0 462.503 0.194 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2cc(Br)cs2)C1=O ZINC000726042266 1070920069 /nfs/dbraw/zinc/92/00/69/1070920069.db2.gz HLTKWZUVDYLONP-UHFFFAOYSA-N 0 0 458.290 0.989 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O ZINC000726042272 1070920116 /nfs/dbraw/zinc/92/01/16/1070920116.db2.gz GCDWGEDFMLNSJJ-UHFFFAOYSA-N 0 0 492.510 0.320 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C1=O ZINC000726042273 1070920016 /nfs/dbraw/zinc/92/00/16/1070920016.db2.gz GDSFAWFKASGDFL-CYBMUJFWSA-N 0 0 482.371 0.813 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)C1=O ZINC000726042274 1070920178 /nfs/dbraw/zinc/92/01/78/1070920178.db2.gz GDSFAWFKASGDFL-ZDUSSCGKSA-N 0 0 482.371 0.813 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)C1=O ZINC000726042305 1070919414 /nfs/dbraw/zinc/91/94/14/1070919414.db2.gz HEJHGNOLVIDSTH-UHFFFAOYSA-N 0 0 470.526 0.974 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)C1=O ZINC000726042334 1070920048 /nfs/dbraw/zinc/92/00/48/1070920048.db2.gz IAPROCLWIDPMJO-UHFFFAOYSA-N 0 0 461.431 0.627 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1=O ZINC000726042336 1070920097 /nfs/dbraw/zinc/92/00/97/1070920097.db2.gz AIJBBZAXNANGRJ-UHFFFAOYSA-N 0 0 450.835 0.257 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1=O ZINC000726042380 1070920155 /nfs/dbraw/zinc/92/01/55/1070920155.db2.gz BIMRUHMINDDHJM-UHFFFAOYSA-N 0 0 456.455 0.059 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(I)cc2)C1=O ZINC000726042382 1070920124 /nfs/dbraw/zinc/92/01/24/1070920124.db2.gz IDJVGAGFCFGKSW-UHFFFAOYSA-N 0 0 471.207 0.750 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1=O ZINC000726042429 1070920087 /nfs/dbraw/zinc/92/00/87/1070920087.db2.gz IVHMFXCFOPLQEC-HNNXBMFYSA-N 0 0 497.508 0.876 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1=O ZINC000726042432 1070920197 /nfs/dbraw/zinc/92/01/97/1070920197.db2.gz IVHMFXCFOPLQEC-OAHLLOKOSA-N 0 0 497.508 0.876 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)C1=O ZINC000726042472 1070919367 /nfs/dbraw/zinc/91/93/67/1070919367.db2.gz CJDGPSBECLDHTA-HNNXBMFYSA-N 0 0 459.455 0.887 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)C1=O ZINC000726042475 1070919308 /nfs/dbraw/zinc/91/93/08/1070919308.db2.gz CJDGPSBECLDHTA-OAHLLOKOSA-N 0 0 459.455 0.887 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)C1=O ZINC000726042547 1070919497 /nfs/dbraw/zinc/91/94/97/1070919497.db2.gz KGVSBCMEAZROIG-KRWDZBQOSA-N 0 0 470.438 0.330 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)C1=O ZINC000726042548 1070919283 /nfs/dbraw/zinc/91/92/83/1070919283.db2.gz KGVSBCMEAZROIG-QGZVFWFLSA-N 0 0 470.438 0.330 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000726042590 1068120244 /nfs/dbraw/zinc/12/02/44/1068120244.db2.gz KXHUYHXHEIRFAA-SECBINFHSA-N 0 0 470.360 0.067 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000726042591 1068120220 /nfs/dbraw/zinc/12/02/20/1068120220.db2.gz KXHUYHXHEIRFAA-VIFPVBQESA-N 0 0 470.360 0.067 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000726042603 1070919386 /nfs/dbraw/zinc/91/93/86/1070919386.db2.gz LFIXBVALPWBKPT-AWEZNQCLSA-N 0 0 469.454 0.331 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000726042604 1070919293 /nfs/dbraw/zinc/91/92/93/1070919293.db2.gz LFIXBVALPWBKPT-CQSZACIVSA-N 0 0 469.454 0.331 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1=O ZINC000726042616 1070919408 /nfs/dbraw/zinc/91/94/08/1070919408.db2.gz LOIOLVWIWGYOPP-UHFFFAOYSA-N 0 0 459.440 0.819 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000726042683 1070919465 /nfs/dbraw/zinc/91/94/65/1070919465.db2.gz MBZCRLUZTSQPPD-HCVBEMKVSA-N 0 0 460.487 0.690 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000726042686 1068120276 /nfs/dbraw/zinc/12/02/76/1068120276.db2.gz MBZCRLUZTSQPPD-URNNUDQISA-N 0 0 460.487 0.690 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1=O ZINC000726042730 1070919523 /nfs/dbraw/zinc/91/95/23/1070919523.db2.gz LOQIQCVTBYLKMP-UHFFFAOYSA-N 0 0 456.455 0.818 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1=O ZINC000726042733 1070919395 /nfs/dbraw/zinc/91/93/95/1070919395.db2.gz LPONXWZOYNGCIL-UHFFFAOYSA-N 0 0 484.296 0.557 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C1=O ZINC000726042793 1070919324 /nfs/dbraw/zinc/91/93/24/1070919324.db2.gz MJNYBVLBNQHSLQ-UHFFFAOYSA-N 0 0 472.502 0.077 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000726042822 1068120258 /nfs/dbraw/zinc/12/02/58/1068120258.db2.gz MUFWRBSDCHRNPX-UHFFFAOYSA-N 0 0 463.468 0.174 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O ZINC000726043008 1070921270 /nfs/dbraw/zinc/92/12/70/1070921270.db2.gz QIUHPOCDSKLVIG-UHFFFAOYSA-N 0 0 457.848 0.202 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1=O ZINC000726043010 1068120868 /nfs/dbraw/zinc/12/08/68/1068120868.db2.gz IQZMMJACIHMAJO-UHFFFAOYSA-N 0 0 454.439 0.805 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1=O ZINC000726043015 1070921425 /nfs/dbraw/zinc/92/14/25/1070921425.db2.gz OKHGJWBXHLLAJC-UHFFFAOYSA-N 0 0 480.359 0.745 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)C1=O ZINC000726043061 1070921475 /nfs/dbraw/zinc/92/14/75/1070921475.db2.gz QXCBTFNEPUELGI-JTQLQIEISA-N 0 0 482.371 0.899 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)C1=O ZINC000726043062 1070921221 /nfs/dbraw/zinc/92/12/21/1070921221.db2.gz QXCBTFNEPUELGI-SNVBAGLBSA-N 0 0 482.371 0.899 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)C1=O ZINC000726043100 1070921366 /nfs/dbraw/zinc/92/13/66/1070921366.db2.gz PPVUSUXTDUNORU-INIZCTEOSA-N 0 0 459.455 0.887 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)C1=O ZINC000726043102 1070921338 /nfs/dbraw/zinc/92/13/38/1070921338.db2.gz PPVUSUXTDUNORU-MRXNPFEDSA-N 0 0 459.455 0.887 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000726043123 1070921284 /nfs/dbraw/zinc/92/12/84/1070921284.db2.gz QERVQPBRIJGDSQ-UHFFFAOYSA-N 0 0 482.415 0.874 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000726043238 1070921303 /nfs/dbraw/zinc/92/13/03/1070921303.db2.gz ROBYVRHWCAUAFM-GASCZTMLSA-N 0 0 490.488 0.576 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000726043250 1070921458 /nfs/dbraw/zinc/92/14/58/1070921458.db2.gz ROBYVRHWCAUAFM-GJZGRUSLSA-N 0 0 490.488 0.576 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1=O ZINC000726043251 1070921516 /nfs/dbraw/zinc/92/15/16/1070921516.db2.gz ROBYVRHWCAUAFM-HUUCEWRRSA-N 0 0 490.488 0.576 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)C1=O ZINC000726043256 1070921240 /nfs/dbraw/zinc/92/12/40/1070921240.db2.gz LYRMOOHAEBYEEI-UHFFFAOYSA-N 0 0 463.468 0.872 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1=O ZINC000726043295 1070921443 /nfs/dbraw/zinc/92/14/43/1070921443.db2.gz USRMAWCXKGKBDE-UHFFFAOYSA-N 0 0 477.499 0.327 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)C1=O ZINC000726043319 1070921354 /nfs/dbraw/zinc/92/13/54/1070921354.db2.gz SBEQWIMUCMBJHP-UHFFFAOYSA-N 0 0 455.431 0.046 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(I)cc2)C1=O ZINC000726043423 1070921257 /nfs/dbraw/zinc/92/12/57/1070921257.db2.gz WHFLXIDNMQGALT-UHFFFAOYSA-N 0 0 456.192 0.994 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)C1=O ZINC000726043478 1070920837 /nfs/dbraw/zinc/92/08/37/1070920837.db2.gz UZORAFXSELYOCD-INIZCTEOSA-N 0 0 459.455 0.887 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)C1=O ZINC000726043480 1070920872 /nfs/dbraw/zinc/92/08/72/1070920872.db2.gz UZORAFXSELYOCD-MRXNPFEDSA-N 0 0 459.455 0.887 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)C1=O ZINC000726043499 1070920862 /nfs/dbraw/zinc/92/08/62/1070920862.db2.gz WXGHUQLYFUURLB-UHFFFAOYSA-N 0 0 491.526 0.717 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)C1=O ZINC000726043518 1070920775 /nfs/dbraw/zinc/92/07/75/1070920775.db2.gz ONFLSHMLOADHRK-IBGZPJMESA-N 0 0 459.455 0.791 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)C1=O ZINC000726043520 1070920649 /nfs/dbraw/zinc/92/06/49/1070920649.db2.gz ONFLSHMLOADHRK-LJQANCHMSA-N 0 0 459.455 0.791 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000726043538 1070920853 /nfs/dbraw/zinc/92/08/53/1070920853.db2.gz VZBBYUOFPBTKHX-UHFFFAOYSA-N 0 0 456.455 0.384 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000726043567 1070920846 /nfs/dbraw/zinc/92/08/46/1070920846.db2.gz XPXLBHXHXHVXMB-UHFFFAOYSA-N 0 0 460.399 0.016 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O ZINC000726043571 1070920803 /nfs/dbraw/zinc/92/08/03/1070920803.db2.gz XWCAJJGDBJOUHT-UHFFFAOYSA-N 0 0 463.468 0.102 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)C1=O ZINC000726043579 1070920707 /nfs/dbraw/zinc/92/07/07/1070920707.db2.gz WLDZEKBOFMGVGB-AWEZNQCLSA-N 0 0 465.484 0.167 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)C1=O ZINC000726043582 1070920728 /nfs/dbraw/zinc/92/07/28/1070920728.db2.gz WLDZEKBOFMGVGB-CQSZACIVSA-N 0 0 465.484 0.167 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O ZINC000726043596 1070920675 /nfs/dbraw/zinc/92/06/75/1070920675.db2.gz WNGXOUZEMUATRC-HNNXBMFYSA-N 0 0 457.439 0.641 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1=O ZINC000726043599 1070921382 /nfs/dbraw/zinc/92/13/82/1070921382.db2.gz WNGXOUZEMUATRC-OAHLLOKOSA-N 0 0 457.439 0.641 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)C1=O ZINC000726043609 1070920691 /nfs/dbraw/zinc/92/06/91/1070920691.db2.gz WSUQOWDYIGMQSG-UHFFFAOYSA-N 0 0 470.482 0.236 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O ZINC000726043656 1070920824 /nfs/dbraw/zinc/92/08/24/1070920824.db2.gz PEHRKNAPSGGWOD-UHFFFAOYSA-N 0 0 475.413 0.921 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1=O ZINC000726043666 1070920882 /nfs/dbraw/zinc/92/08/82/1070920882.db2.gz XICPDPGZJHXDLG-UHFFFAOYSA-N 0 0 474.445 0.197 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O ZINC000726043695 1070920753 /nfs/dbraw/zinc/92/07/53/1070920753.db2.gz QBVPLLXHSBBCIS-UHFFFAOYSA-N 0 0 475.413 0.921 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1=O ZINC000726043711 1070920742 /nfs/dbraw/zinc/92/07/42/1070920742.db2.gz QPJBALRLGHNJFG-UHFFFAOYSA-N 0 0 471.466 0.863 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc(I)c2)C1=O ZINC000726043767 1070920057 /nfs/dbraw/zinc/92/00/57/1070920057.db2.gz YJCJOANQOKFXGO-UHFFFAOYSA-N 0 0 471.207 0.750 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1=O ZINC000726043808 1070920189 /nfs/dbraw/zinc/92/01/89/1070920189.db2.gz ZOMRKZVSAJCDQR-UHFFFAOYSA-N 0 0 462.503 0.148 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1=O ZINC000726043837 1070920792 /nfs/dbraw/zinc/92/07/92/1070920792.db2.gz SUQDQKHHSIPSAA-CYBMUJFWSA-N 0 0 480.499 0.220 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1=O ZINC000726043838 1070920764 /nfs/dbraw/zinc/92/07/64/1070920764.db2.gz SUQDQKHHSIPSAA-ZDUSSCGKSA-N 0 0 480.499 0.220 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc3sc(C(=O)OCC)c(C)c3c(N)n2)C1=O ZINC000726043884 1070920813 /nfs/dbraw/zinc/92/08/13/1070920813.db2.gz UUGFZCGTWKZEDB-UHFFFAOYSA-N 0 0 461.456 0.779 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2I)C1=O ZINC000726043892 1070920783 /nfs/dbraw/zinc/92/07/83/1070920783.db2.gz UYINTFNZGZOKRT-UHFFFAOYSA-N 0 0 471.207 0.750 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1=O ZINC000726043936 1070921191 /nfs/dbraw/zinc/92/11/91/1070921191.db2.gz WIEHTYLZCHOTBG-UHFFFAOYSA-N 0 0 486.890 0.049 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2ccccc2Br)C1=O ZINC000726043975 1068121532 /nfs/dbraw/zinc/12/15/32/1068121532.db2.gz XJYCNFVUQJOSMK-UHFFFAOYSA-N 0 0 452.261 0.928 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000726044010 1070921403 /nfs/dbraw/zinc/92/14/03/1070921403.db2.gz YIXYURQBPOTISU-LLVKDONJSA-N 0 0 460.399 0.014 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000726044011 1070921320 /nfs/dbraw/zinc/92/13/20/1070921320.db2.gz YIXYURQBPOTISU-NSHDSACASA-N 0 0 460.399 0.014 20 30 JCEDRN CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 ZINC000726045041 1070922184 /nfs/dbraw/zinc/92/21/84/1070922184.db2.gz CQNSERFNADECFV-UHFFFAOYSA-N 0 0 495.535 0.386 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)CC2)o1 ZINC000726065747 1070924855 /nfs/dbraw/zinc/92/48/55/1070924855.db2.gz VHBDOIDYJBYGHW-UHFFFAOYSA-N 0 0 467.891 0.661 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)o1 ZINC000726067172 1070926282 /nfs/dbraw/zinc/92/62/82/1070926282.db2.gz VGNQRHTTZJVNMG-UHFFFAOYSA-N 0 0 477.499 0.163 20 30 JCEDRN CN(CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1)S(C)(=O)=O ZINC000726105395 1070926897 /nfs/dbraw/zinc/92/68/97/1070926897.db2.gz BAHRUPVMQZDGLV-MBOBHEEDSA-N 0 0 467.617 0.874 20 30 JCEDRN CN(CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1)S(C)(=O)=O ZINC000726105396 1070926983 /nfs/dbraw/zinc/92/69/83/1070926983.db2.gz BAHRUPVMQZDGLV-SLNYWTKHSA-N 0 0 467.617 0.874 20 30 JCEDRN CN(CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1)S(C)(=O)=O ZINC000726105397 1070927038 /nfs/dbraw/zinc/92/70/38/1070927038.db2.gz BAHRUPVMQZDGLV-WXVFVKJXSA-N 0 0 467.617 0.874 20 30 JCEDRN CN(CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1)S(C)(=O)=O ZINC000726105398 1070927025 /nfs/dbraw/zinc/92/70/25/1070927025.db2.gz BAHRUPVMQZDGLV-XGIGFIBQSA-N 0 0 467.617 0.874 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 ZINC000726105399 1070927817 /nfs/dbraw/zinc/92/78/17/1070927817.db2.gz BBJOKJJTTAEKLD-BSBNDGSWSA-N 0 0 453.590 0.532 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 ZINC000726105400 1070927746 /nfs/dbraw/zinc/92/77/46/1070927746.db2.gz BBJOKJJTTAEKLD-QQMHEVNUSA-N 0 0 453.590 0.532 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 ZINC000726105401 1070927907 /nfs/dbraw/zinc/92/79/07/1070927907.db2.gz BBJOKJJTTAEKLD-XOMICKMZSA-N 0 0 453.590 0.532 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 ZINC000726105402 1070927861 /nfs/dbraw/zinc/92/78/61/1070927861.db2.gz BBJOKJJTTAEKLD-YGCDDZCOSA-N 0 0 453.590 0.532 20 30 JCEDRN CCN(CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\CCc1ccccn1)S(C)(=O)=O ZINC000726110637 1070927848 /nfs/dbraw/zinc/92/78/48/1070927848.db2.gz CUQDECFBWXFSSL-BWORXHKJSA-N 0 0 455.606 0.732 20 30 JCEDRN CCN(CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/CCc1ccccn1)S(C)(=O)=O ZINC000726110670 1070927728 /nfs/dbraw/zinc/92/77/28/1070927728.db2.gz CUQDECFBWXFSSL-QKDOTCOFSA-N 0 0 455.606 0.732 20 30 JCEDRN CCN(CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1)S(C)(=O)=O ZINC000726110671 1070927882 /nfs/dbraw/zinc/92/78/82/1070927882.db2.gz CUQDECFBWXFSSL-UFIXSJTLSA-N 0 0 455.606 0.732 20 30 JCEDRN CCN(CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1)S(C)(=O)=O ZINC000726110674 1070927873 /nfs/dbraw/zinc/92/78/73/1070927873.db2.gz CUQDECFBWXFSSL-VFOOBRQFSA-N 0 0 455.606 0.732 20 30 JCEDRN CNC(=O)CC1S/C(=N\CCc2ccccn2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000726115342 1070928399 /nfs/dbraw/zinc/92/83/99/1070928399.db2.gz PUQBDMDLIAPJPF-DVCONVQISA-N 0 0 467.617 0.732 20 30 JCEDRN CNC(=O)CC1S/C(=N\CCc2ccccn2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000726115343 1070928509 /nfs/dbraw/zinc/92/85/09/1070928509.db2.gz PUQBDMDLIAPJPF-HLGQQVFSSA-N 0 0 467.617 0.732 20 30 JCEDRN CNC(=O)CC1S/C(=N/CCc2ccccn2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000726115344 1070928620 /nfs/dbraw/zinc/92/86/20/1070928620.db2.gz PUQBDMDLIAPJPF-LRWZUSMTSA-N 0 0 467.617 0.732 20 30 JCEDRN CNC(=O)CC1S/C(=N/CCc2ccccn2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000726115345 1070928421 /nfs/dbraw/zinc/92/84/21/1070928421.db2.gz PUQBDMDLIAPJPF-OLRQPGBRSA-N 0 0 467.617 0.732 20 30 JCEDRN CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\CCc1ccccn1 ZINC000726115776 1070927634 /nfs/dbraw/zinc/92/76/34/1070927634.db2.gz SBBHJAIEZMEKOX-BWORXHKJSA-N 0 0 455.606 0.732 20 30 JCEDRN CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/CCc1ccccn1 ZINC000726115777 1070927656 /nfs/dbraw/zinc/92/76/56/1070927656.db2.gz SBBHJAIEZMEKOX-QKDOTCOFSA-N 0 0 455.606 0.732 20 30 JCEDRN CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1 ZINC000726115778 1070927917 /nfs/dbraw/zinc/92/79/17/1070927917.db2.gz SBBHJAIEZMEKOX-UFIXSJTLSA-N 0 0 455.606 0.732 20 30 JCEDRN CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1 ZINC000726115779 1070927758 /nfs/dbraw/zinc/92/77/58/1070927758.db2.gz SBBHJAIEZMEKOX-VFOOBRQFSA-N 0 0 455.606 0.732 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 ZINC000726159715 1070929129 /nfs/dbraw/zinc/92/91/29/1070929129.db2.gz PJKQURILOPWTIT-LTGZKZEYSA-N 0 0 454.534 0.372 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 ZINC000726159716 1070929369 /nfs/dbraw/zinc/92/93/69/1070929369.db2.gz PJKQURILOPWTIT-PGMHBOJBSA-N 0 0 454.534 0.372 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 ZINC000726159731 1070929095 /nfs/dbraw/zinc/92/90/95/1070929095.db2.gz QAHFMOXNTUEWAP-LTGZKZEYSA-N 0 0 454.534 0.372 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 ZINC000726159732 1070929213 /nfs/dbraw/zinc/92/92/13/1070929213.db2.gz QAHFMOXNTUEWAP-PGMHBOJBSA-N 0 0 454.534 0.372 20 30 JCEDRN C[C@@]1(c2ccc(CNC(=O)CCN=C3NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O ZINC000726167802 1070930166 /nfs/dbraw/zinc/93/01/66/1070930166.db2.gz LIGXMOKRJDLMLN-NRFANRHFSA-N 0 0 455.496 0.486 20 30 JCEDRN C[C@]1(c2ccc(CNC(=O)CCN=C3NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O ZINC000726167803 1070930104 /nfs/dbraw/zinc/93/01/04/1070930104.db2.gz LIGXMOKRJDLMLN-OAQYLSRUSA-N 0 0 455.496 0.486 20 30 JCEDRN C[C@]1(c2ccc(CNC(=O)CCCN=C3NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O ZINC000726170482 1070931377 /nfs/dbraw/zinc/93/13/77/1070931377.db2.gz VWFGBCJCUGZCDN-JOCHJYFZSA-N 0 0 469.523 0.876 20 30 JCEDRN C[C@@]1(c2ccc(CNC(=O)CCCN=C3NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O ZINC000726170485 1070931502 /nfs/dbraw/zinc/93/15/02/1070931502.db2.gz VWFGBCJCUGZCDN-QFIPXVFZSA-N 0 0 469.523 0.876 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000726174580 1070932141 /nfs/dbraw/zinc/93/21/41/1070932141.db2.gz CCWQAWANHBKXOW-INIZCTEOSA-N 0 0 478.571 0.765 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000726174581 1070932234 /nfs/dbraw/zinc/93/22/34/1070932234.db2.gz CCWQAWANHBKXOW-MRXNPFEDSA-N 0 0 478.571 0.765 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCN1CCOCC1 ZINC000726178430 1070932721 /nfs/dbraw/zinc/93/27/21/1070932721.db2.gz IREULKCNPHGQNV-UHFFFAOYSA-N 0 0 492.605 0.941 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCN2CCOCC2)c1=O ZINC000726178514 1070932637 /nfs/dbraw/zinc/93/26/37/1070932637.db2.gz KQIUKDFKQWHKJM-UHFFFAOYSA-N 0 0 457.600 0.711 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000726180235 1070933877 /nfs/dbraw/zinc/93/38/77/1070933877.db2.gz CUSSEIXWWKFGGE-UHFFFAOYSA-N 0 0 461.555 0.718 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C(C)(C)C)c3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000726180237 1070934077 /nfs/dbraw/zinc/93/40/77/1070934077.db2.gz CVCMCBQHHNEWHI-UHFFFAOYSA-N 0 0 483.598 0.723 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnc(C)s3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000726180252 1070933972 /nfs/dbraw/zinc/93/39/72/1070933972.db2.gz DAIXVUDXQZLOHT-UHFFFAOYSA-N 0 0 483.623 0.548 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C(C)(C)C)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000726180260 1070933787 /nfs/dbraw/zinc/93/37/87/1070933787.db2.gz DFKRKGRJFGHZDA-UHFFFAOYSA-N 0 0 469.571 0.333 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cccc4cccnc34)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000726180261 1070933435 /nfs/dbraw/zinc/93/34/35/1070933435.db2.gz DGTBUCXRRKCZLR-UHFFFAOYSA-N 0 0 474.546 0.929 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C(C)(C)C)c3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000726180281 1070934106 /nfs/dbraw/zinc/93/41/06/1070934106.db2.gz FBHOTFBJOUYHNI-HNNXBMFYSA-N 0 0 483.598 0.721 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C(C)(C)C)c3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000726180282 1070933934 /nfs/dbraw/zinc/93/39/34/1070933934.db2.gz FBHOTFBJOUYHNI-OAHLLOKOSA-N 0 0 483.598 0.721 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cnn(CC)c1 ZINC000726180309 1070933892 /nfs/dbraw/zinc/93/38/92/1070933892.db2.gz GJGTXQIOKUHYMD-UHFFFAOYSA-N 0 0 483.598 0.512 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(-c4ccccc4)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000726180322 1070933860 /nfs/dbraw/zinc/93/38/60/1070933860.db2.gz GQWSIGZYXUQVCA-UHFFFAOYSA-N 0 0 489.561 0.567 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1cnn(CC)c1 ZINC000726180387 1070933906 /nfs/dbraw/zinc/93/39/06/1070933906.db2.gz HVFCQCVJVLUAIE-UHFFFAOYSA-N 0 0 451.556 0.872 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C)n(CCOC)c3C)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000726180414 1070933410 /nfs/dbraw/zinc/93/34/10/1070933410.db2.gz ISDGVHMMUZORNK-UHFFFAOYSA-N 0 0 498.609 0.446 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCCOC(C)C)cn1 ZINC000726180423 1070933401 /nfs/dbraw/zinc/93/34/01/1070933401.db2.gz JHIDHSHOUXBEHR-UHFFFAOYSA-N 0 0 469.571 0.283 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(-c4ccccc4)n3)sc2=C(C#N)C(=O)N2CCCC2)cn1 ZINC000726180425 1070933456 /nfs/dbraw/zinc/93/34/56/1070933456.db2.gz JKFQNZJQHIQRAX-UHFFFAOYSA-N 0 0 486.561 0.822 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1cnn(CC)c1 ZINC000726180427 1070933384 /nfs/dbraw/zinc/93/33/84/1070933384.db2.gz JNTQCCNXXSBXCV-UHFFFAOYSA-N 0 0 472.596 0.926 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NCC(C)C)cn1 ZINC000726180432 1070933417 /nfs/dbraw/zinc/93/34/17/1070933417.db2.gz JSMBGXYQUIRXSU-UHFFFAOYSA-N 0 0 453.572 0.741 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)c2ccc3c(c2)OCO3)cn1 ZINC000726180435 1070933287 /nfs/dbraw/zinc/93/32/87/1070933287.db2.gz JWHCCDHWPWMPQE-UHFFFAOYSA-N 0 0 474.502 0.964 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnc(C)s3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000726180451 1070933481 /nfs/dbraw/zinc/93/34/81/1070933481.db2.gz LASPLKSVQKKLRS-UHFFFAOYSA-N 0 0 456.553 0.242 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1cnn(CC)c1 ZINC000726180452 1070933391 /nfs/dbraw/zinc/93/33/91/1070933391.db2.gz LBXOJMMVYLVATB-UHFFFAOYSA-N 0 0 474.550 0.725 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(-c4ccccc4)n3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000726180453 1070933336 /nfs/dbraw/zinc/93/33/36/1070933336.db2.gz LFZDTJONAVCJEA-UHFFFAOYSA-N 0 0 472.534 0.478 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000726180454 1070933426 /nfs/dbraw/zinc/93/34/26/1070933426.db2.gz LHMRVKZKRJKTHC-UHFFFAOYSA-N 0 0 469.571 0.122 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000726180456 1070933464 /nfs/dbraw/zinc/93/34/64/1070933464.db2.gz LMHLQWSVIIEYSX-UHFFFAOYSA-N 0 0 494.625 0.133 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cnn(CC)c1 ZINC000726180484 1070933350 /nfs/dbraw/zinc/93/33/50/1070933350.db2.gz MAXICVDDYIZVHH-UHFFFAOYSA-N 0 0 453.572 0.885 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(-c4ccccc4)n3)sc2=C(C#N)C(=O)NCC(C)C)cn1 ZINC000726180586 1070933360 /nfs/dbraw/zinc/93/33/60/1070933360.db2.gz OHUYRHXCCFYCCZ-UHFFFAOYSA-N 0 0 488.577 0.971 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C)n(CCOC)c3C)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000726180642 1070933446 /nfs/dbraw/zinc/93/34/46/1070933446.db2.gz PUQJYUWMBPOFKU-UHFFFAOYSA-N 0 0 480.594 0.962 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnc(-c4ccccc4)nc3)sc2=C(C#N)C(=O)NC)cn1 ZINC000726180661 1070933496 /nfs/dbraw/zinc/93/34/96/1070933496.db2.gz QWYPVMGCVIVDCE-UHFFFAOYSA-N 0 0 457.519 0.821 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)Nc2cccc(OC)c2)cn1 ZINC000726180677 1070933373 /nfs/dbraw/zinc/93/33/73/1070933373.db2.gz RXJWUCVDYCSDRW-UHFFFAOYSA-N 0 0 475.534 0.999 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(-c4ccccc4)n3)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000726180764 1070933322 /nfs/dbraw/zinc/93/33/22/1070933322.db2.gz UURRUTXLDHRBJQ-UHFFFAOYSA-N 0 0 474.550 0.724 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C(C)(C)C)c3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000726180877 1070932818 /nfs/dbraw/zinc/93/28/18/1070932818.db2.gz WLKBKWFTTJUFOU-UHFFFAOYSA-N 0 0 451.556 0.849 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnc(C)s3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000726180929 1070932787 /nfs/dbraw/zinc/93/27/87/1070932787.db2.gz XEVKLRZXIPFGRM-UHFFFAOYSA-N 0 0 458.569 0.536 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C(C)(C)C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000726180966 1070932741 /nfs/dbraw/zinc/93/27/41/1070932741.db2.gz XRVXNOJACCEZIA-UHFFFAOYSA-N 0 0 481.582 0.429 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)N2CCCC2)cn1 ZINC000726180973 1070932770 /nfs/dbraw/zinc/93/27/70/1070932770.db2.gz XTVBPVSTIMFSSQ-UHFFFAOYSA-N 0 0 451.556 0.591 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1cnn(CC)c1 ZINC000726180975 1070933489 /nfs/dbraw/zinc/93/34/89/1070933489.db2.gz XWWURXRVBZLVIB-UHFFFAOYSA-N 0 0 472.534 0.501 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)sc2=C(C#N)C#N)cn1 ZINC000726180988 1070933305 /nfs/dbraw/zinc/93/33/05/1070933305.db2.gz SLGPIYLCCFFORT-UHFFFAOYSA-N 0 0 450.436 0.821 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1-c1cnn(CC)c1 ZINC000726181016 1070932845 /nfs/dbraw/zinc/93/28/45/1070932845.db2.gz YHFUMJYQAHTYOZ-UHFFFAOYSA-N 0 0 480.594 0.985 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc4c(cc3OCCOC)OCO4)sc2=C(C#N)C#N)cn1 ZINC000726181173 1070933954 /nfs/dbraw/zinc/93/39/54/1070933954.db2.gz XUAZVZGRQNXUPZ-UHFFFAOYSA-N 0 0 465.491 0.896 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)s1 ZINC000726181852 1070933772 /nfs/dbraw/zinc/93/37/72/1070933772.db2.gz FQBPXLQFZBYEHI-UHFFFAOYSA-N 0 0 467.576 0.674 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 ZINC000726181999 1070933751 /nfs/dbraw/zinc/93/37/51/1070933751.db2.gz ICGOKRNBDJOGNE-UHFFFAOYSA-N 0 0 480.594 0.554 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 ZINC000726182000 1070934089 /nfs/dbraw/zinc/93/40/89/1070934089.db2.gz IDNYDNJZLFFVKF-UHFFFAOYSA-N 0 0 466.567 0.327 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2ccccn2)c1=O ZINC000726182044 1070933921 /nfs/dbraw/zinc/93/39/21/1070933921.db2.gz KBGAOVSIHRNJNK-UHFFFAOYSA-N 0 0 478.578 0.260 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCc1ccccn1 ZINC000726182199 1070934615 /nfs/dbraw/zinc/93/46/15/1070934615.db2.gz LQIYEULLRHZTRW-UHFFFAOYSA-N 0 0 483.557 0.933 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCc2ccccn2)c1=O ZINC000726182259 1070934596 /nfs/dbraw/zinc/93/45/96/1070934596.db2.gz MSVQTRACEQURTE-UHFFFAOYSA-N 0 0 450.568 0.926 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 ZINC000726182271 1070934881 /nfs/dbraw/zinc/93/48/81/1070934881.db2.gz NESTXLJEZZJBSK-UHFFFAOYSA-N 0 0 466.567 0.164 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCc1ccccn1 ZINC000726182279 1070934815 /nfs/dbraw/zinc/93/48/15/1070934815.db2.gz NOUNSQPKXBRXKQ-UHFFFAOYSA-N 0 0 455.565 0.578 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)cn1 ZINC000726182346 1070934789 /nfs/dbraw/zinc/93/47/89/1070934789.db2.gz QGJVVIQKYJLOQP-UHFFFAOYSA-N 0 0 492.605 0.861 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCc1ccccn1 ZINC000726182391 1070934464 /nfs/dbraw/zinc/93/44/64/1070934464.db2.gz SHSGRAHAMHYKJD-UHFFFAOYSA-N 0 0 483.557 0.910 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCc3ccccn3)c2=O)cn1 ZINC000726182397 1070934854 /nfs/dbraw/zinc/93/48/54/1070934854.db2.gz SKXKZKJTEYXUJC-UHFFFAOYSA-N 0 0 457.519 0.818 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 ZINC000726182428 1070934689 /nfs/dbraw/zinc/93/46/89/1070934689.db2.gz TWRLXDJMSAJARR-UHFFFAOYSA-N 0 0 494.621 0.944 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 ZINC000726182455 1070934065 /nfs/dbraw/zinc/93/40/65/1070934065.db2.gz UKJAXHKABKAAKH-UHFFFAOYSA-N 0 0 450.568 0.927 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 ZINC000726182468 1070934005 /nfs/dbraw/zinc/93/40/05/1070934005.db2.gz UWVONHHZHQRGKC-UHFFFAOYSA-N 0 0 480.594 0.715 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCc1ccccn1 ZINC000726182521 1070933822 /nfs/dbraw/zinc/93/38/22/1070933822.db2.gz WMWUHSDEERWCLP-UHFFFAOYSA-N 0 0 469.592 0.968 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCc3ccccn3)c2=O)cn1 ZINC000726182550 1070933847 /nfs/dbraw/zinc/93/38/47/1070933847.db2.gz XELASORQLZDLNS-UHFFFAOYSA-N 0 0 460.519 0.693 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2CCc2ccccn2)CC1 ZINC000726182583 1070934021 /nfs/dbraw/zinc/93/40/21/1070934021.db2.gz XREFHGQCFUJDRG-UHFFFAOYSA-N 0 0 494.646 0.980 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCc1ccccn1 ZINC000726182715 1070933804 /nfs/dbraw/zinc/93/38/04/1070933804.db2.gz ZBIXZXZCVNARRZ-UHFFFAOYSA-N 0 0 480.594 0.765 20 30 JCEDRN Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC2)cn1C ZINC000726199488 1070936001 /nfs/dbraw/zinc/93/60/01/1070936001.db2.gz ASDONXCGYIVFJQ-UHFFFAOYSA-N 0 0 459.528 0.861 20 30 JCEDRN Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCc3cccc(C#N)c3)CC2)cn1C ZINC000726201006 1070936132 /nfs/dbraw/zinc/93/61/32/1070936132.db2.gz QCBGLRZLRLEAHY-UHFFFAOYSA-N 0 0 459.528 0.861 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)c3ccc(C)cc3O)CC2)o1 ZINC000726203494 1070938544 /nfs/dbraw/zinc/93/85/44/1070938544.db2.gz MKGSPDQFGGNYRX-UHFFFAOYSA-N 0 0 455.471 0.881 20 30 JCEDRN COc1cc(OC)c(N)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000726206323 1070938631 /nfs/dbraw/zinc/93/86/31/1070938631.db2.gz LZWSHMUXJNTUBA-UHFFFAOYSA-N 0 0 488.522 0.848 20 30 JCEDRN CC(C)NC(=O)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000726282857 1070943846 /nfs/dbraw/zinc/94/38/46/1070943846.db2.gz UEKKOEQICRONKT-UHFFFAOYSA-N 0 0 463.604 0.954 20 30 JCEDRN CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000726289920 1070945860 /nfs/dbraw/zinc/94/58/60/1070945860.db2.gz NTAYUWZSAWIHGC-UHFFFAOYSA-N 0 0 457.512 0.664 20 30 JCEDRN CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000726290646 1070946675 /nfs/dbraw/zinc/94/66/75/1070946675.db2.gz ZNLBMZNQQNXJBZ-UHFFFAOYSA-N 0 0 457.512 0.664 20 30 JCEDRN CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000726291259 1070947345 /nfs/dbraw/zinc/94/73/45/1070947345.db2.gz FKKQUXQOMLYKLZ-UHFFFAOYSA-N 0 0 457.512 0.664 20 30 JCEDRN C[C@H]1CN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 ZINC000726294463 1070947886 /nfs/dbraw/zinc/94/78/86/1070947886.db2.gz SGRBSZMCKIJDFN-ACNSNUFOSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H]1CN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 ZINC000726294465 1070947839 /nfs/dbraw/zinc/94/78/39/1070947839.db2.gz SGRBSZMCKIJDFN-CVIUTVQRSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 ZINC000726294466 1070947961 /nfs/dbraw/zinc/94/79/61/1070947961.db2.gz SGRBSZMCKIJDFN-SAZKUCFMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 ZINC000726294468 1070947979 /nfs/dbraw/zinc/94/79/79/1070947979.db2.gz SGRBSZMCKIJDFN-VKWHMPGMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 ZINC000726294582 1070947713 /nfs/dbraw/zinc/94/77/13/1070947713.db2.gz VHGXAZQFWVTQEO-ACNSNUFOSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 ZINC000726294584 1070947783 /nfs/dbraw/zinc/94/77/83/1070947783.db2.gz VHGXAZQFWVTQEO-CVIUTVQRSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 ZINC000726294586 1070947826 /nfs/dbraw/zinc/94/78/26/1070947826.db2.gz VHGXAZQFWVTQEO-SAZKUCFMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 ZINC000726294588 1070947925 /nfs/dbraw/zinc/94/79/25/1070947925.db2.gz VHGXAZQFWVTQEO-VKWHMPGMSA-N 0 0 451.549 0.275 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)c1 ZINC000726299026 1070948560 /nfs/dbraw/zinc/94/85/60/1070948560.db2.gz SCLMTLPXOBRXDA-HKOYGPOVSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)c1 ZINC000726299029 1070948570 /nfs/dbraw/zinc/94/85/70/1070948570.db2.gz SCLMTLPXOBRXDA-MOHJPFBDSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cc1 ZINC000726299462 1070948664 /nfs/dbraw/zinc/94/86/64/1070948664.db2.gz WAABMSKUUXEZIL-HKOYGPOVSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cc1 ZINC000726299535 1070948603 /nfs/dbraw/zinc/94/86/03/1070948603.db2.gz WAABMSKUUXEZIL-MOHJPFBDSA-N 0 0 465.576 0.665 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)c(F)c1 ZINC000726300175 1070948640 /nfs/dbraw/zinc/94/86/40/1070948640.db2.gz NGMRYSYPIMRQRF-UHFFFAOYSA-N 0 0 450.474 0.921 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)c1 ZINC000726304513 1070949199 /nfs/dbraw/zinc/94/91/99/1070949199.db2.gz AZWHOQKESPCMNT-NCELDCMTSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)c1 ZINC000726304520 1070949117 /nfs/dbraw/zinc/94/91/17/1070949117.db2.gz AZWHOQKESPCMNT-PLRJNAJWSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)cc1 ZINC000726304584 1070949287 /nfs/dbraw/zinc/94/92/87/1070949287.db2.gz DCJDXQVWPJLUOT-NCELDCMTSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)cc1 ZINC000726304585 1070949218 /nfs/dbraw/zinc/94/92/18/1070949218.db2.gz DCJDXQVWPJLUOT-PLRJNAJWSA-N 0 0 471.543 0.577 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000726377085 1070958357 /nfs/dbraw/zinc/95/83/57/1070958357.db2.gz RKKMGXUQPAYGOL-UHFFFAOYSA-N 0 0 453.484 0.451 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000726383909 1070958720 /nfs/dbraw/zinc/95/87/20/1070958720.db2.gz JGOBLWAXPAYUFW-UHFFFAOYSA-N 0 0 478.552 0.508 20 30 JCEDRN O=C(CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1)NC1CC1 ZINC000726387759 1070959498 /nfs/dbraw/zinc/95/94/98/1070959498.db2.gz YCGQUHIXRBBILN-UHFFFAOYSA-N 0 0 461.588 0.708 20 30 JCEDRN CNC(=O)CC1SC(=Nc2ccc(C(N)=O)cc2)N(CCCN(C)S(C)(=O)=O)C1=O ZINC000726399361 1070959814 /nfs/dbraw/zinc/95/98/14/1070959814.db2.gz CTKDCVSONGZPHO-AWEZNQCLSA-N 0 0 455.562 0.135 20 30 JCEDRN CNC(=O)CC1SC(=Nc2ccc(C(N)=O)cc2)N(CCCN(C)S(C)(=O)=O)C1=O ZINC000726399363 1070959797 /nfs/dbraw/zinc/95/97/97/1070959797.db2.gz CTKDCVSONGZPHO-CQSZACIVSA-N 0 0 455.562 0.135 20 30 JCEDRN CNC(=O)CC1SC(=Nc2ccc(C(N)=O)cc2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000726401190 1070959822 /nfs/dbraw/zinc/95/98/22/1070959822.db2.gz NZHHPIALSFDCBC-INIZCTEOSA-N 0 0 481.600 0.525 20 30 JCEDRN CNC(=O)CC1SC(=Nc2ccc(C(N)=O)cc2)N(CC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000726401194 1070959523 /nfs/dbraw/zinc/95/95/23/1070959523.db2.gz NZHHPIALSFDCBC-MRXNPFEDSA-N 0 0 481.600 0.525 20 30 JCEDRN CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 ZINC000726401343 1070960295 /nfs/dbraw/zinc/96/02/95/1070960295.db2.gz MUJKMCWRGHIVMQ-INIZCTEOSA-N 0 0 481.600 0.715 20 30 JCEDRN CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 ZINC000726401344 1070960417 /nfs/dbraw/zinc/96/04/17/1070960417.db2.gz MUJKMCWRGHIVMQ-MRXNPFEDSA-N 0 0 481.600 0.715 20 30 JCEDRN CN(CCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1)S(C)(=O)=O ZINC000726401400 1070960324 /nfs/dbraw/zinc/96/03/24/1070960324.db2.gz NFYZNQWYFYGBQI-INIZCTEOSA-N 0 0 481.600 0.667 20 30 JCEDRN CN(CCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1)S(C)(=O)=O ZINC000726401408 1070960221 /nfs/dbraw/zinc/96/02/21/1070960221.db2.gz NFYZNQWYFYGBQI-MRXNPFEDSA-N 0 0 481.600 0.667 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccnc2OC)C1=O ZINC000726401516 1070959633 /nfs/dbraw/zinc/95/96/33/1070959633.db2.gz AQTWQHJPZMSLRV-CLXZYQIKSA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccnc2OC)C1=O ZINC000726401517 1070959781 /nfs/dbraw/zinc/95/97/81/1070959781.db2.gz AQTWQHJPZMSLRV-GFDWPABASA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccnc2OC)C1=O ZINC000726401518 1070959579 /nfs/dbraw/zinc/95/95/79/1070959579.db2.gz AQTWQHJPZMSLRV-UVPKWBSNSA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccnc2OC)C1=O ZINC000726401519 1070959613 /nfs/dbraw/zinc/95/96/13/1070959613.db2.gz AQTWQHJPZMSLRV-XGTYDZQNSA-N 0 0 477.568 0.874 20 30 JCEDRN CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 ZINC000726401704 1070959568 /nfs/dbraw/zinc/95/95/68/1070959568.db2.gz RJDMHDJXEMJMTA-HNNXBMFYSA-N 0 0 469.589 0.525 20 30 JCEDRN CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 ZINC000726401705 1070959552 /nfs/dbraw/zinc/95/95/52/1070959552.db2.gz RJDMHDJXEMJMTA-OAHLLOKOSA-N 0 0 469.589 0.525 20 30 JCEDRN CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 ZINC000726401802 1070959603 /nfs/dbraw/zinc/95/96/03/1070959603.db2.gz SKIZSISBFVAVCD-AWEZNQCLSA-N 0 0 455.562 0.183 20 30 JCEDRN CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 ZINC000726401805 1070959761 /nfs/dbraw/zinc/95/97/61/1070959761.db2.gz SKIZSISBFVAVCD-CQSZACIVSA-N 0 0 455.562 0.183 20 30 JCEDRN CCN(CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1)S(C)(=O)=O ZINC000726402026 1070959697 /nfs/dbraw/zinc/95/96/97/1070959697.db2.gz TYKHNPRIMWWRIC-HNNXBMFYSA-N 0 0 469.589 0.525 20 30 JCEDRN CCN(CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1)S(C)(=O)=O ZINC000726402028 1070959656 /nfs/dbraw/zinc/95/96/56/1070959656.db2.gz TYKHNPRIMWWRIC-OAHLLOKOSA-N 0 0 469.589 0.525 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 ZINC000726402545 1070961172 /nfs/dbraw/zinc/96/11/72/1070961172.db2.gz RTWUHRUTWCARSP-HNNXBMFYSA-N 0 0 467.573 0.325 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 ZINC000726402555 1070961082 /nfs/dbraw/zinc/96/10/82/1070961082.db2.gz RTWUHRUTWCARSP-OAHLLOKOSA-N 0 0 467.573 0.325 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2\SC(CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 ZINC000726402649 1070960384 /nfs/dbraw/zinc/96/03/84/1070960384.db2.gz GZAYJUJYQVOMTP-BLRPHQBRSA-N 0 0 479.584 0.081 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2\SC(CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 ZINC000726402652 1070961226 /nfs/dbraw/zinc/96/12/26/1070961226.db2.gz GZAYJUJYQVOMTP-HZSHHLKBSA-N 0 0 479.584 0.081 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2/SC(CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 ZINC000726402655 1070961011 /nfs/dbraw/zinc/96/10/11/1070961011.db2.gz GZAYJUJYQVOMTP-JDAKFOBDSA-N 0 0 479.584 0.081 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2/SC(CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 ZINC000726402658 1070961042 /nfs/dbraw/zinc/96/10/42/1070961042.db2.gz GZAYJUJYQVOMTP-UMIVRTMYSA-N 0 0 479.584 0.081 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCc2nccs2)C1=O ZINC000726402968 1070960332 /nfs/dbraw/zinc/96/03/32/1070960332.db2.gz IHIBNDTZPKBAAL-FSXJBPCSSA-N 0 0 467.598 0.969 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCc2nccs2)C1=O ZINC000726402972 1070960468 /nfs/dbraw/zinc/96/04/68/1070960468.db2.gz IHIBNDTZPKBAAL-HOEZRSETSA-N 0 0 467.598 0.969 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCc2nccs2)C1=O ZINC000726402974 1070960248 /nfs/dbraw/zinc/96/02/48/1070960248.db2.gz IHIBNDTZPKBAAL-RJHYDAJSSA-N 0 0 467.598 0.969 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCc2nccs2)C1=O ZINC000726402977 1070960482 /nfs/dbraw/zinc/96/04/82/1070960482.db2.gz IHIBNDTZPKBAAL-ZLFSKHNOSA-N 0 0 467.598 0.969 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@H](C)CN2CCCC2=O)C1=O ZINC000726403031 1070960428 /nfs/dbraw/zinc/96/04/28/1070960428.db2.gz IRTGIUFASTVDHK-CJKQJNEHSA-N 0 0 481.600 0.281 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H](C)CN2CCCC2=O)C1=O ZINC000726403041 1070960269 /nfs/dbraw/zinc/96/02/69/1070960269.db2.gz IRTGIUFASTVDHK-FOVIYGGPSA-N 0 0 481.600 0.281 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccc(OC)n2)C1=O ZINC000726403220 1070960235 /nfs/dbraw/zinc/96/02/35/1070960235.db2.gz JKCKZMYHOXYCOA-AEKNLGIRSA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccc(OC)n2)C1=O ZINC000726403224 1070960358 /nfs/dbraw/zinc/96/03/58/1070960358.db2.gz JKCKZMYHOXYCOA-LTRAUPRXSA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccc(OC)n2)C1=O ZINC000726403229 1070960305 /nfs/dbraw/zinc/96/03/05/1070960305.db2.gz JKCKZMYHOXYCOA-MLVIZHJXSA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccc(OC)n2)C1=O ZINC000726403232 1070960510 /nfs/dbraw/zinc/96/05/10/1070960510.db2.gz JKCKZMYHOXYCOA-YZNZPZSRSA-N 0 0 477.568 0.874 20 30 JCEDRN CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403255 1070960455 /nfs/dbraw/zinc/96/04/55/1070960455.db2.gz JONZCYPRGBOFRX-BIDVBJRCSA-N 0 0 469.589 0.139 20 30 JCEDRN CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403257 1070960262 /nfs/dbraw/zinc/96/02/62/1070960262.db2.gz JONZCYPRGBOFRX-GTOLFZDISA-N 0 0 469.589 0.139 20 30 JCEDRN CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403259 1070960409 /nfs/dbraw/zinc/96/04/09/1070960409.db2.gz JONZCYPRGBOFRX-GYKMOOBXSA-N 0 0 469.589 0.139 20 30 JCEDRN CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403261 1070961218 /nfs/dbraw/zinc/96/12/18/1070961218.db2.gz JONZCYPRGBOFRX-RHNCAKJLSA-N 0 0 469.589 0.139 20 30 JCEDRN CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403433 1070962832 /nfs/dbraw/zinc/96/28/32/1070962832.db2.gz KIBHFZIJEHPXPO-ASBBISHRSA-N 0 0 481.600 0.327 20 30 JCEDRN CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403436 1070962622 /nfs/dbraw/zinc/96/26/22/1070962622.db2.gz KIBHFZIJEHPXPO-XKXIVVFUSA-N 0 0 481.600 0.327 20 30 JCEDRN COCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403499 1070962547 /nfs/dbraw/zinc/96/25/47/1070962547.db2.gz KMIOOAHCKCCHLJ-BSBNDGSWSA-N 0 0 454.574 0.839 20 30 JCEDRN COCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403502 1068214458 /nfs/dbraw/zinc/21/44/58/1068214458.db2.gz KMIOOAHCKCCHLJ-QQMHEVNUSA-N 0 0 454.574 0.839 20 30 JCEDRN COCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403505 1070962587 /nfs/dbraw/zinc/96/25/87/1070962587.db2.gz KMIOOAHCKCCHLJ-XOMICKMZSA-N 0 0 454.574 0.839 20 30 JCEDRN COCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403508 1070962749 /nfs/dbraw/zinc/96/27/49/1070962749.db2.gz KMIOOAHCKCCHLJ-YGCDDZCOSA-N 0 0 454.574 0.839 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cc(C)on2)C1=O ZINC000726403662 1070962024 /nfs/dbraw/zinc/96/20/24/1070962024.db2.gz LVTSRCMLAZKSSO-BAOKRACBSA-N 0 0 451.530 0.767 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cc(C)on2)C1=O ZINC000726403663 1070961773 /nfs/dbraw/zinc/96/17/73/1070961773.db2.gz LVTSRCMLAZKSSO-GALDBLJUSA-N 0 0 451.530 0.767 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cc(C)on2)C1=O ZINC000726403664 1070961875 /nfs/dbraw/zinc/96/18/75/1070961875.db2.gz LVTSRCMLAZKSSO-OBAOGOGRSA-N 0 0 451.530 0.767 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cc(C)on2)C1=O ZINC000726403665 1070961754 /nfs/dbraw/zinc/96/17/54/1070961754.db2.gz LVTSRCMLAZKSSO-XAIYEJPOSA-N 0 0 451.530 0.767 20 30 JCEDRN CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403672 1070962061 /nfs/dbraw/zinc/96/20/61/1070962061.db2.gz LXVWBCFUPVHKLR-BIBRTQAFSA-N 0 0 495.627 0.671 20 30 JCEDRN CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403673 1070961795 /nfs/dbraw/zinc/96/17/95/1070961795.db2.gz LXVWBCFUPVHKLR-IJCFDHGGSA-N 0 0 495.627 0.671 20 30 JCEDRN CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403674 1070961865 /nfs/dbraw/zinc/96/18/65/1070961865.db2.gz LXVWBCFUPVHKLR-JEBJBBSMSA-N 0 0 495.627 0.671 20 30 JCEDRN CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403675 1070961940 /nfs/dbraw/zinc/96/19/40/1070961940.db2.gz LXVWBCFUPVHKLR-JHGXHUTESA-N 0 0 495.627 0.671 20 30 JCEDRN CC(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403726 1070962047 /nfs/dbraw/zinc/96/20/47/1070962047.db2.gz MOVJKSCRNFGQQQ-DVCONVQISA-N 0 0 481.600 0.329 20 30 JCEDRN CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403727 1070962055 /nfs/dbraw/zinc/96/20/55/1070962055.db2.gz MOVJKSCRNFGQQQ-HLGQQVFSSA-N 0 0 481.600 0.329 20 30 JCEDRN CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403728 1070962012 /nfs/dbraw/zinc/96/20/12/1070962012.db2.gz MOVJKSCRNFGQQQ-LRWZUSMTSA-N 0 0 481.600 0.329 20 30 JCEDRN CC(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726403729 1070961952 /nfs/dbraw/zinc/96/19/52/1070961952.db2.gz MOVJKSCRNFGQQQ-OLRQPGBRSA-N 0 0 481.600 0.329 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(=O)NC2CCCC2)C1=O ZINC000726403826 1070961840 /nfs/dbraw/zinc/96/18/40/1070961840.db2.gz NOPLFHAYOGHLOR-AEKNLGIRSA-N 0 0 481.600 0.329 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(=O)NC2CCCC2)C1=O ZINC000726403827 1070961814 /nfs/dbraw/zinc/96/18/14/1070961814.db2.gz NOPLFHAYOGHLOR-LTRAUPRXSA-N 0 0 481.600 0.329 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(=O)NC2CCCC2)C1=O ZINC000726403828 1070961978 /nfs/dbraw/zinc/96/19/78/1070961978.db2.gz NOPLFHAYOGHLOR-MLVIZHJXSA-N 0 0 481.600 0.329 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(=O)NC2CCCC2)C1=O ZINC000726403829 1070961919 /nfs/dbraw/zinc/96/19/19/1070961919.db2.gz NOPLFHAYOGHLOR-YZNZPZSRSA-N 0 0 481.600 0.329 20 30 JCEDRN CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404014 1070960973 /nfs/dbraw/zinc/96/09/73/1070960973.db2.gz QBPGQTAETMWNKA-DQHURGGDSA-N 0 0 483.616 0.573 20 30 JCEDRN CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404016 1070961969 /nfs/dbraw/zinc/96/19/69/1070961969.db2.gz QBPGQTAETMWNKA-UGFDEYFYSA-N 0 0 483.616 0.573 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCc2c(C)nn(C)c2C)C1=O ZINC000726404152 1070961192 /nfs/dbraw/zinc/96/11/92/1070961192.db2.gz SINNAXXYQRUYOJ-GOTYSUTNSA-N 0 0 492.627 0.863 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCc2c(C)nn(C)c2C)C1=O ZINC000726404153 1070961055 /nfs/dbraw/zinc/96/10/55/1070961055.db2.gz SINNAXXYQRUYOJ-JQBIEYAESA-N 0 0 492.627 0.863 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCc2c(C)nn(C)c2C)C1=O ZINC000726404154 1070961149 /nfs/dbraw/zinc/96/11/49/1070961149.db2.gz SINNAXXYQRUYOJ-QAYQYMSWSA-N 0 0 492.627 0.863 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCc2c(C)nn(C)c2C)C1=O ZINC000726404155 1070961116 /nfs/dbraw/zinc/96/11/16/1070961116.db2.gz SINNAXXYQRUYOJ-YQMDHOPXSA-N 0 0 492.627 0.863 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC(F)(F)F)C1=O ZINC000726404188 1070961031 /nfs/dbraw/zinc/96/10/31/1070961031.db2.gz SSTVMGJZQQLZQQ-GWKQSCENSA-N 0 0 482.506 0.849 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC(F)(F)F)C1=O ZINC000726404189 1070961249 /nfs/dbraw/zinc/96/12/49/1070961249.db2.gz SSTVMGJZQQLZQQ-LPCAMTDXSA-N 0 0 482.506 0.849 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC(F)(F)F)C1=O ZINC000726404190 1070961092 /nfs/dbraw/zinc/96/10/92/1070961092.db2.gz SSTVMGJZQQLZQQ-OETDOYICSA-N 0 0 482.506 0.849 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC(F)(F)F)C1=O ZINC000726404191 1070960992 /nfs/dbraw/zinc/96/09/92/1070960992.db2.gz SSTVMGJZQQLZQQ-SXNXEAAASA-N 0 0 482.506 0.849 20 30 JCEDRN CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404228 1070960984 /nfs/dbraw/zinc/96/09/84/1070960984.db2.gz UCZRDEPHDFFGMF-BLRPHQBRSA-N 0 0 481.600 0.327 20 30 JCEDRN CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404229 1070961072 /nfs/dbraw/zinc/96/10/72/1070961072.db2.gz UCZRDEPHDFFGMF-HZSHHLKBSA-N 0 0 481.600 0.327 20 30 JCEDRN CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404230 1070961184 /nfs/dbraw/zinc/96/11/84/1070961184.db2.gz UCZRDEPHDFFGMF-JDAKFOBDSA-N 0 0 481.600 0.327 20 30 JCEDRN CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404231 1070961023 /nfs/dbraw/zinc/96/10/23/1070961023.db2.gz UCZRDEPHDFFGMF-UMIVRTMYSA-N 0 0 481.600 0.327 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cscn2)C1=O ZINC000726404284 1070962773 /nfs/dbraw/zinc/96/27/73/1070962773.db2.gz VMWYWIKUAMXAJZ-LVHCJKAXSA-N 0 0 453.571 0.927 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cscn2)C1=O ZINC000726404285 1070962467 /nfs/dbraw/zinc/96/24/67/1070962467.db2.gz VMWYWIKUAMXAJZ-SHUBJWRZSA-N 0 0 453.571 0.927 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cscn2)C1=O ZINC000726404286 1070962757 /nfs/dbraw/zinc/96/27/57/1070962757.db2.gz VMWYWIKUAMXAJZ-SYLQMPFCSA-N 0 0 453.571 0.927 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cscn2)C1=O ZINC000726404287 1070962789 /nfs/dbraw/zinc/96/27/89/1070962789.db2.gz VMWYWIKUAMXAJZ-UXPDKRSESA-N 0 0 453.571 0.927 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2\SC(CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000726404320 1070962641 /nfs/dbraw/zinc/96/26/41/1070962641.db2.gz VYLFBASOSQDEFK-NYRNWBAJSA-N 0 0 466.585 0.982 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2/SC(CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000726404321 1070962702 /nfs/dbraw/zinc/96/27/02/1070962702.db2.gz VYLFBASOSQDEFK-SPWJVWQPSA-N 0 0 466.585 0.982 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2\SC(CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000726404322 1070962601 /nfs/dbraw/zinc/96/26/01/1070962601.db2.gz VYLFBASOSQDEFK-VWELRIEJSA-N 0 0 466.585 0.982 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2/SC(CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000726404323 1070963373 /nfs/dbraw/zinc/96/33/73/1070963373.db2.gz VYLFBASOSQDEFK-ZCGOPPHJSA-N 0 0 466.585 0.982 20 30 JCEDRN CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404416 1070963360 /nfs/dbraw/zinc/96/33/60/1070963360.db2.gz XLAPVMYHFDXUJC-JOGXUEJDSA-N 0 0 489.579 0.909 20 30 JCEDRN CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404417 1070963237 /nfs/dbraw/zinc/96/32/37/1070963237.db2.gz XLAPVMYHFDXUJC-LWYOUWALSA-N 0 0 489.579 0.909 20 30 JCEDRN CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404418 1070963228 /nfs/dbraw/zinc/96/32/28/1070963228.db2.gz XLAPVMYHFDXUJC-NPNYCVGBSA-N 0 0 489.579 0.909 20 30 JCEDRN CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404419 1070963419 /nfs/dbraw/zinc/96/34/19/1070963419.db2.gz XLAPVMYHFDXUJC-PJXFJRINSA-N 0 0 489.579 0.909 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccnc(C)n2)C1=O ZINC000726404460 1070963173 /nfs/dbraw/zinc/96/31/73/1070963173.db2.gz YIHGMSXGYDKFIW-CULCSUMMSA-N 0 0 462.557 0.569 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccnc(C)n2)C1=O ZINC000726404461 1070963550 /nfs/dbraw/zinc/96/35/50/1070963550.db2.gz YIHGMSXGYDKFIW-IHIJCHFRSA-N 0 0 462.557 0.569 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccnc(C)n2)C1=O ZINC000726404462 1070963249 /nfs/dbraw/zinc/96/32/49/1070963249.db2.gz YIHGMSXGYDKFIW-JJXNMMKVSA-N 0 0 462.557 0.569 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccnc(C)n2)C1=O ZINC000726404463 1070963488 /nfs/dbraw/zinc/96/34/88/1070963488.db2.gz YIHGMSXGYDKFIW-LTUQMTLXSA-N 0 0 462.557 0.569 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccc(OC)nc2)C1=O ZINC000726404474 1070963521 /nfs/dbraw/zinc/96/35/21/1070963521.db2.gz YMPYETZQIFRYOR-CLXZYQIKSA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccc(OC)nc2)C1=O ZINC000726404475 1070963468 /nfs/dbraw/zinc/96/34/68/1070963468.db2.gz YMPYETZQIFRYOR-GFDWPABASA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccc(OC)nc2)C1=O ZINC000726404476 1070963208 /nfs/dbraw/zinc/96/32/08/1070963208.db2.gz YMPYETZQIFRYOR-UVPKWBSNSA-N 0 0 477.568 0.874 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccc(OC)nc2)C1=O ZINC000726404477 1070964285 /nfs/dbraw/zinc/96/42/85/1070964285.db2.gz YMPYETZQIFRYOR-XGTYDZQNSA-N 0 0 477.568 0.874 20 30 JCEDRN CCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404538 1070963322 /nfs/dbraw/zinc/96/33/22/1070963322.db2.gz ZFRNSBHRZYUPCR-BSBNDGSWSA-N 0 0 454.574 0.839 20 30 JCEDRN CCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404539 1070963435 /nfs/dbraw/zinc/96/34/35/1070963435.db2.gz ZFRNSBHRZYUPCR-QQMHEVNUSA-N 0 0 454.574 0.839 20 30 JCEDRN CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404540 1070963512 /nfs/dbraw/zinc/96/35/12/1070963512.db2.gz ZFRNSBHRZYUPCR-XOMICKMZSA-N 0 0 454.574 0.839 20 30 JCEDRN CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000726404541 1070963279 /nfs/dbraw/zinc/96/32/79/1070963279.db2.gz ZFRNSBHRZYUPCR-YGCDDZCOSA-N 0 0 454.574 0.839 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCCN(C(=O)OC)C2)C1=O ZINC000726404542 1070963296 /nfs/dbraw/zinc/96/32/96/1070963296.db2.gz ZHPLSAZOJGFTCC-BLTJYWNCSA-N 0 0 497.599 0.501 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCCN(C(=O)OC)C2)C1=O ZINC000726404543 1070963401 /nfs/dbraw/zinc/96/34/01/1070963401.db2.gz ZHPLSAZOJGFTCC-GDJRBPOVSA-N 0 0 497.599 0.501 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2CCCN(C(=O)OC)C2)C1=O ZINC000726404544 1070963447 /nfs/dbraw/zinc/96/34/47/1070963447.db2.gz ZHPLSAZOJGFTCC-OMEJUNCISA-N 0 0 497.599 0.501 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2CCCN(C(=O)OC)C2)C1=O ZINC000726404545 1070963334 /nfs/dbraw/zinc/96/33/34/1070963334.db2.gz ZHPLSAZOJGFTCC-YGUNMCQPSA-N 0 0 497.599 0.501 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000726448552 1070964663 /nfs/dbraw/zinc/96/46/63/1070964663.db2.gz HLOLASAUQGOYKN-UHFFFAOYSA-N 0 0 479.609 0.587 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000726539349 1070968485 /nfs/dbraw/zinc/96/84/85/1070968485.db2.gz GCKJALMCMYHDOW-UHFFFAOYSA-N 0 0 478.571 0.765 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000726543954 1070969612 /nfs/dbraw/zinc/96/96/12/1070969612.db2.gz LZWZIWADOBMDCR-UHFFFAOYSA-N 0 0 485.570 0.150 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)ccc1F ZINC000726544199 1070969563 /nfs/dbraw/zinc/96/95/63/1070969563.db2.gz UCGJPVSBPCJOFS-UHFFFAOYSA-N 0 0 476.534 0.549 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000726547058 1070970930 /nfs/dbraw/zinc/97/09/30/1070970930.db2.gz ZQKVDDUNIMAIOL-UHFFFAOYSA-N 0 0 491.614 0.289 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000726574656 1070973028 /nfs/dbraw/zinc/97/30/28/1070973028.db2.gz JUODYWCULCVBPJ-HNNXBMFYSA-N 0 0 457.600 0.711 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000726574657 1070973015 /nfs/dbraw/zinc/97/30/15/1070973015.db2.gz JUODYWCULCVBPJ-OAHLLOKOSA-N 0 0 457.600 0.711 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000726574975 1070972927 /nfs/dbraw/zinc/97/29/27/1070972927.db2.gz ARLKCLPBBORVIP-UHFFFAOYSA-N 0 0 462.535 0.130 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726575035 1070972967 /nfs/dbraw/zinc/97/29/67/1070972967.db2.gz DIHPLIVTRXIYOS-UHFFFAOYSA-N 0 0 496.552 0.989 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc2c1OCCO2 ZINC000726575036 1070972940 /nfs/dbraw/zinc/97/29/40/1070972940.db2.gz DLRXOYBBVWOHLT-UHFFFAOYSA-N 0 0 460.471 0.804 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726575190 1070972980 /nfs/dbraw/zinc/97/29/80/1070972980.db2.gz GZGHERMFHIALMQ-UHFFFAOYSA-N 0 0 457.450 0.744 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726575250 1070972366 /nfs/dbraw/zinc/97/23/66/1070972366.db2.gz HJKUAFKBSSRSLE-UHFFFAOYSA-N 0 0 499.552 0.812 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726575257 1070972279 /nfs/dbraw/zinc/97/22/79/1070972279.db2.gz HKQXRJXKZPMQHV-UHFFFAOYSA-N 0 0 471.502 0.268 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726575328 1070972288 /nfs/dbraw/zinc/97/22/88/1070972288.db2.gz IMTMNYJKXMEAJT-UHFFFAOYSA-N 0 0 478.578 0.768 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000726575335 1070973072 /nfs/dbraw/zinc/97/30/72/1070973072.db2.gz IVELOARWCKMJBL-UHFFFAOYSA-N 0 0 464.551 0.376 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCN1CCOCC1 ZINC000726575504 1070972954 /nfs/dbraw/zinc/97/29/54/1070972954.db2.gz VOOJWYIGPDUSMT-GOSISDBHSA-N 0 0 492.605 0.941 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCN1CCOCC1 ZINC000726575505 1070972912 /nfs/dbraw/zinc/97/29/12/1070972912.db2.gz VOOJWYIGPDUSMT-SFHVURJKSA-N 0 0 492.605 0.941 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726575581 1070972870 /nfs/dbraw/zinc/97/28/70/1070972870.db2.gz KPTINPXPBHZMMI-UHFFFAOYSA-N 0 0 499.556 0.608 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726575585 1070973051 /nfs/dbraw/zinc/97/30/51/1070973051.db2.gz KVNIBCIZIBLYDH-UHFFFAOYSA-N 0 0 464.551 0.378 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726575614 1070973447 /nfs/dbraw/zinc/97/34/47/1070973447.db2.gz LQCXICUPWBZVQX-UHFFFAOYSA-N 0 0 462.535 0.154 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000726575805 1070973044 /nfs/dbraw/zinc/97/30/44/1070973044.db2.gz NZXVFHSMOTZDKQ-UHFFFAOYSA-N 0 0 490.589 0.910 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726575912 1070973036 /nfs/dbraw/zinc/97/30/36/1070973036.db2.gz PYJVKEHANYBZKP-UHFFFAOYSA-N 0 0 496.552 0.965 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1cccc(C(F)(F)F)c1 ZINC000726575946 1070972997 /nfs/dbraw/zinc/97/29/97/1070972997.db2.gz QZZVRMBGJBNNDI-UHFFFAOYSA-N 0 0 491.495 0.976 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000726575982 1070972885 /nfs/dbraw/zinc/97/28/85/1070972885.db2.gz RUCMLLWUFIPFPS-UHFFFAOYSA-N 0 0 478.578 0.624 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726576013 1070973003 /nfs/dbraw/zinc/97/30/03/1070973003.db2.gz TYXAKKDJWJLWOF-UHFFFAOYSA-N 0 0 499.556 0.606 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726576081 1070973086 /nfs/dbraw/zinc/97/30/86/1070973086.db2.gz WBKOUGVSADXZFU-UHFFFAOYSA-N 0 0 497.540 0.360 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000726576122 1070972896 /nfs/dbraw/zinc/97/28/96/1070972896.db2.gz WNEZYMTVYQQADK-UHFFFAOYSA-N 0 0 476.562 0.474 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726576141 1070973062 /nfs/dbraw/zinc/97/30/62/1070973062.db2.gz XASLBUMBPJMKEQ-UHFFFAOYSA-N 0 0 497.540 0.384 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726576159 1070972989 /nfs/dbraw/zinc/97/29/89/1070972989.db2.gz XLGKCISJHAPGJD-UHFFFAOYSA-N 0 0 494.577 0.004 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 ZINC000726576697 1070974824 /nfs/dbraw/zinc/97/48/24/1070974824.db2.gz ABXLLGPSGRSYEJ-UHFFFAOYSA-N 0 0 481.559 0.125 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000726576705 1070974742 /nfs/dbraw/zinc/97/47/42/1070974742.db2.gz AHOSXJDGVQOIFR-UHFFFAOYSA-N 0 0 482.953 0.813 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C ZINC000726576722 1070974803 /nfs/dbraw/zinc/97/48/03/1070974803.db2.gz BCLROEPBINMINQ-AWEZNQCLSA-N 0 0 475.592 0.520 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(=O)N(C)C ZINC000726576724 1070974831 /nfs/dbraw/zinc/97/48/31/1070974831.db2.gz BCLROEPBINMINQ-CQSZACIVSA-N 0 0 475.592 0.520 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726576730 1070974750 /nfs/dbraw/zinc/97/47/50/1070974750.db2.gz ANBMOFIZZICAAM-UHFFFAOYSA-N 0 0 494.554 0.793 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726576754 1070974898 /nfs/dbraw/zinc/97/48/98/1070974898.db2.gz ASTAHHMHKFYQJF-UHFFFAOYSA-N 0 0 485.591 0.457 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1F ZINC000726576771 1070974782 /nfs/dbraw/zinc/97/47/82/1070974782.db2.gz AYSBKCNOXBCTIX-UHFFFAOYSA-N 0 0 470.507 0.780 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000726576807 1070974818 /nfs/dbraw/zinc/97/48/18/1070974818.db2.gz BMHROXBXQPLNRN-UHFFFAOYSA-N 0 0 468.926 0.423 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC ZINC000726576814 1070974847 /nfs/dbraw/zinc/97/48/47/1070974847.db2.gz BTKCGOHWAVOPDO-UHFFFAOYSA-N 0 0 453.524 0.679 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726576821 1070974878 /nfs/dbraw/zinc/97/48/78/1070974878.db2.gz BRCKRBYMWKOBFT-UHFFFAOYSA-N 0 0 480.527 0.403 20 30 JCEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 ZINC000726576828 1070974730 /nfs/dbraw/zinc/97/47/30/1070974730.db2.gz BVZPTVFWDUIEIM-UHFFFAOYSA-N 0 0 450.501 0.428 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726576866 1070974839 /nfs/dbraw/zinc/97/48/39/1070974839.db2.gz CKHWLULYQYKWIL-UHFFFAOYSA-N 0 0 499.508 0.846 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726576897 1070974869 /nfs/dbraw/zinc/97/48/69/1070974869.db2.gz CQKVYGDXLKNLCB-UHFFFAOYSA-N 0 0 471.564 0.067 20 30 JCEDRN COCCn1c(C)cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1C ZINC000726576903 1070974795 /nfs/dbraw/zinc/97/47/95/1070974795.db2.gz CSRVAFVOQFCLBK-UHFFFAOYSA-N 0 0 497.602 0.697 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726576907 1070974810 /nfs/dbraw/zinc/97/48/10/1070974810.db2.gz DDSODDXCESSCNM-UHFFFAOYSA-N 0 0 458.471 0.910 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726576941 1070974886 /nfs/dbraw/zinc/97/48/86/1070974886.db2.gz FRECSXFIRPBFAG-UHFFFAOYSA-N 0 0 458.471 0.910 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726576943 1070974056 /nfs/dbraw/zinc/97/40/56/1070974056.db2.gz FWNXXWFMLYPFNB-UHFFFAOYSA-N 0 0 453.549 0.792 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C#N)c(Cl)c3)c2=O)cn1 ZINC000726576947 1070974240 /nfs/dbraw/zinc/97/42/40/1070974240.db2.gz GBYCCQOSPNFMJC-UHFFFAOYSA-N 0 0 480.937 0.519 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NC(C)C)c1 ZINC000726576983 1070974204 /nfs/dbraw/zinc/97/42/04/1070974204.db2.gz FALXDEUQLMAFDK-UHFFFAOYSA-N 0 0 453.524 0.677 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)N(C)C ZINC000726576986 1070974293 /nfs/dbraw/zinc/97/42/93/1070974293.db2.gz FCQVVNNGGHEOEZ-AWEZNQCLSA-N 0 0 455.536 0.903 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)N(C)C ZINC000726576987 1070974284 /nfs/dbraw/zinc/97/42/84/1070974284.db2.gz FCQVVNNGGHEOEZ-CQSZACIVSA-N 0 0 455.536 0.903 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1cc(OC)ccc1OC ZINC000726576994 1070974158 /nfs/dbraw/zinc/97/41/58/1070974158.db2.gz FKTSDIAEABGZLJ-UHFFFAOYSA-N 0 0 486.575 0.947 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC ZINC000726576995 1070974270 /nfs/dbraw/zinc/97/42/70/1070974270.db2.gz FONXFQWJOCBYMG-UHFFFAOYSA-N 0 0 483.550 0.305 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577046 1070974121 /nfs/dbraw/zinc/97/41/21/1070974121.db2.gz HGUAPWZSMSLZPX-UHFFFAOYSA-N 0 0 494.577 0.215 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577061 1070974103 /nfs/dbraw/zinc/97/41/03/1070974103.db2.gz HLDRDJDELKZLLI-AWEZNQCLSA-N 0 0 485.591 0.457 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577063 1070974094 /nfs/dbraw/zinc/97/40/94/1070974094.db2.gz HLDRDJDELKZLLI-CQSZACIVSA-N 0 0 485.591 0.457 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1C ZINC000726577082 1070974855 /nfs/dbraw/zinc/97/48/55/1070974855.db2.gz HVDIZBJIHRMVFD-UHFFFAOYSA-N 0 0 466.544 0.949 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc2c1OCO2 ZINC000726577083 1070974770 /nfs/dbraw/zinc/97/47/70/1070974770.db2.gz HWFUHWSBOSDNAV-UHFFFAOYSA-N 0 0 496.526 0.369 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C#N)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000726577085 1070974761 /nfs/dbraw/zinc/97/47/61/1070974761.db2.gz HZVMTONLSFILHI-UHFFFAOYSA-N 0 0 452.517 0.641 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577088 1070974721 /nfs/dbraw/zinc/97/47/21/1070974721.db2.gz ICZNGYSNPBYBAM-UHFFFAOYSA-N 0 0 476.562 0.755 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C#N)c(Cl)c3)c2=O)cn1 ZINC000726577108 1068232864 /nfs/dbraw/zinc/23/28/64/1068232864.db2.gz JAZOWYOKFZCSEO-UHFFFAOYSA-N 0 0 450.911 0.939 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577112 1070974175 /nfs/dbraw/zinc/97/41/75/1070974175.db2.gz JDKKBLBYENNZPJ-UHFFFAOYSA-N 0 0 494.577 0.166 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577122 1070974043 /nfs/dbraw/zinc/97/40/43/1070974043.db2.gz JJZQEDITOKEERB-UHFFFAOYSA-N 0 0 497.602 0.809 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577129 1070974255 /nfs/dbraw/zinc/97/42/55/1070974255.db2.gz JUWIDGGCXOAKLK-UHFFFAOYSA-N 0 0 478.578 0.977 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577141 1070974146 /nfs/dbraw/zinc/97/41/46/1070974146.db2.gz KEZJZLCTKPRXME-UHFFFAOYSA-N 0 0 468.922 0.909 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)s1 ZINC000726577154 1070974231 /nfs/dbraw/zinc/97/42/31/1070974231.db2.gz KGTXLSXXDYPGGG-UHFFFAOYSA-N 0 0 453.549 0.791 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 ZINC000726577155 1070974313 /nfs/dbraw/zinc/97/43/13/1070974313.db2.gz KHDBMGGAIRSIBH-UHFFFAOYSA-N 0 0 499.618 0.847 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC ZINC000726577157 1070974216 /nfs/dbraw/zinc/97/42/16/1070974216.db2.gz HFDIGAJVDVZTFR-UHFFFAOYSA-N 0 0 497.577 0.696 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 ZINC000726577160 1070974075 /nfs/dbraw/zinc/97/40/75/1070974075.db2.gz KMSMENKMPZHHOG-UHFFFAOYSA-N 0 0 465.560 0.888 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577166 1070974189 /nfs/dbraw/zinc/97/41/89/1070974189.db2.gz KOXHXXNRPQXRCF-UHFFFAOYSA-N 0 0 482.525 0.704 20 30 JCEDRN COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c1=O)OCO2 ZINC000726577263 1070973483 /nfs/dbraw/zinc/97/34/83/1070973483.db2.gz KZEWCLURTALQSP-UHFFFAOYSA-N 0 0 490.497 0.778 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577268 1070973546 /nfs/dbraw/zinc/97/35/46/1070973546.db2.gz LCXNNVVLELQQDQ-UHFFFAOYSA-N 0 0 469.548 0.029 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1OC ZINC000726577281 1070973591 /nfs/dbraw/zinc/97/35/91/1070973591.db2.gz LWFUKJYCSPVSLU-UHFFFAOYSA-N 0 0 482.543 0.649 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726577300 1070973571 /nfs/dbraw/zinc/97/35/71/1070973571.db2.gz MVSISCCMDUFISY-UHFFFAOYSA-N 0 0 462.535 0.293 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000726577303 1070973624 /nfs/dbraw/zinc/97/36/24/1070973624.db2.gz MYSFZOGKBSVYIV-UHFFFAOYSA-N 0 0 450.911 0.963 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 ZINC000726577309 1070973536 /nfs/dbraw/zinc/97/35/36/1070973536.db2.gz NEKGOKIWBKVFAN-UHFFFAOYSA-N 0 0 483.575 0.211 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cs1 ZINC000726577313 1070973560 /nfs/dbraw/zinc/97/35/60/1070973560.db2.gz NIYFTCBAOAKFPJ-UHFFFAOYSA-N 0 0 457.562 0.651 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577325 1070973436 /nfs/dbraw/zinc/97/34/36/1070973436.db2.gz NULKHIDXHQJNPG-UHFFFAOYSA-N 0 0 488.554 0.818 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)s1 ZINC000726577332 1070973500 /nfs/dbraw/zinc/97/35/00/1070973500.db2.gz OGPHFYPFGWNJTE-UHFFFAOYSA-N 0 0 451.533 0.545 20 30 JCEDRN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577335 1070973471 /nfs/dbraw/zinc/97/34/71/1070973471.db2.gz OIGDNZVFICUUHO-FOIQADDNSA-N 0 0 490.589 0.929 20 30 JCEDRN C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577336 1070973410 /nfs/dbraw/zinc/97/34/10/1070973410.db2.gz OIGDNZVFICUUHO-MGPUTAFESA-N 0 0 490.589 0.929 20 30 JCEDRN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577337 1070973422 /nfs/dbraw/zinc/97/34/22/1070973422.db2.gz OIGDNZVFICUUHO-QRWLVFNGSA-N 0 0 490.589 0.929 20 30 JCEDRN C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577338 1070973458 /nfs/dbraw/zinc/97/34/58/1070973458.db2.gz OIGDNZVFICUUHO-YWZLYKJASA-N 0 0 490.589 0.929 20 30 JCEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)oc1C ZINC000726577339 1070973517 /nfs/dbraw/zinc/97/35/17/1070973517.db2.gz OLGPJVXNDAKYER-UHFFFAOYSA-N 0 0 484.515 0.320 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000726577354 1070973611 /nfs/dbraw/zinc/97/36/11/1070973611.db2.gz OYPGYMDUCJDWLO-CYBMUJFWSA-N 0 0 482.953 0.812 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 ZINC000726577356 1070973584 /nfs/dbraw/zinc/97/35/84/1070973584.db2.gz OYPGYMDUCJDWLO-ZDUSSCGKSA-N 0 0 482.953 0.812 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC ZINC000726577369 1070973635 /nfs/dbraw/zinc/97/36/35/1070973635.db2.gz KXVRXONYIZEVAZ-AWEZNQCLSA-N 0 0 483.550 0.304 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC ZINC000726577370 1070974305 /nfs/dbraw/zinc/97/43/05/1070974305.db2.gz KXVRXONYIZEVAZ-CQSZACIVSA-N 0 0 483.550 0.304 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000726577410 1070973599 /nfs/dbraw/zinc/97/35/99/1070973599.db2.gz LMTFKNSKPYMNLN-UHFFFAOYSA-N 0 0 497.577 0.532 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000726577424 1070973508 /nfs/dbraw/zinc/97/35/08/1070973508.db2.gz LTHARARDNSHWHS-UHFFFAOYSA-N 0 0 481.534 0.012 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577434 1070975377 /nfs/dbraw/zinc/97/53/77/1070975377.db2.gz POEWUKACTHVHRH-UHFFFAOYSA-N 0 0 450.524 0.151 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726577525 1070975384 /nfs/dbraw/zinc/97/53/84/1070975384.db2.gz QWKCWUHUTMYHEF-UHFFFAOYSA-N 0 0 486.561 0.601 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577535 1070975878 /nfs/dbraw/zinc/97/58/78/1070975878.db2.gz RCBIYEWTODFGSQ-UHFFFAOYSA-N 0 0 466.500 0.361 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726577546 1070975934 /nfs/dbraw/zinc/97/59/34/1070975934.db2.gz RFXGAHPCNSTRSY-UHFFFAOYSA-N 0 0 470.514 0.873 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577550 1070975814 /nfs/dbraw/zinc/97/58/14/1070975814.db2.gz RNAXOCNLEAYOAO-UHFFFAOYSA-N 0 0 451.533 0.568 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577552 1070976041 /nfs/dbraw/zinc/97/60/41/1070976041.db2.gz ROCUNEQSLJPEQL-UHFFFAOYSA-N 0 0 480.527 0.403 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 ZINC000726577558 1070975862 /nfs/dbraw/zinc/97/58/62/1070975862.db2.gz RQTBCAFRVDQUQS-UHFFFAOYSA-N 0 0 452.517 0.641 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577565 1070975982 /nfs/dbraw/zinc/97/59/82/1070975982.db2.gz RXEAIHJDDFZUOS-UHFFFAOYSA-N 0 0 499.618 0.847 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1OC ZINC000726577597 1070975946 /nfs/dbraw/zinc/97/59/46/1070975946.db2.gz SYPZSPSCWLPHDD-UHFFFAOYSA-N 0 0 482.543 0.649 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577605 1070975835 /nfs/dbraw/zinc/97/58/35/1070975835.db2.gz TXRKDKJTIAHWDM-UHFFFAOYSA-N 0 0 478.578 0.979 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 ZINC000726577615 1070976053 /nfs/dbraw/zinc/97/60/53/1070976053.db2.gz UCLHKWZGXVYODK-UHFFFAOYSA-N 0 0 485.591 0.457 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 ZINC000726577710 1070975330 /nfs/dbraw/zinc/97/53/30/1070975330.db2.gz UJRWPJHPAWPMNQ-UHFFFAOYSA-N 0 0 496.570 0.657 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000726577726 1070975296 /nfs/dbraw/zinc/97/52/96/1070975296.db2.gz UNSWGDNGMRBPMX-UHFFFAOYSA-N 0 0 499.618 0.684 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577731 1070975430 /nfs/dbraw/zinc/97/54/30/1070975430.db2.gz UOCAMTDGXNBWLU-UHFFFAOYSA-N 0 0 489.542 0.213 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577760 1070975439 /nfs/dbraw/zinc/97/54/39/1070975439.db2.gz VEHSMTHEAKUTNJ-UHFFFAOYSA-N 0 0 450.524 0.198 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577796 1070975421 /nfs/dbraw/zinc/97/54/21/1070975421.db2.gz VRWOSEQRKUFIJK-UHFFFAOYSA-N 0 0 464.528 0.567 20 30 JCEDRN CC(=O)Nc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 ZINC000726577800 1070975396 /nfs/dbraw/zinc/97/53/96/1070975396.db2.gz VSLABWGQHHLGMV-UHFFFAOYSA-N 0 0 479.543 0.591 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726577803 1070976079 /nfs/dbraw/zinc/97/60/79/1070976079.db2.gz VSPBOVFVOVOSOK-UHFFFAOYSA-N 0 0 476.562 0.731 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c(OC)c1 ZINC000726577805 1070975972 /nfs/dbraw/zinc/97/59/72/1070975972.db2.gz VUYPRNMSYAKGRL-UHFFFAOYSA-N 0 0 482.543 0.649 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCCC2)c1 ZINC000726577810 1070976066 /nfs/dbraw/zinc/97/60/66/1070976066.db2.gz PSWLDUIHUFYARG-UHFFFAOYSA-N 0 0 465.535 0.775 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577874 1070975412 /nfs/dbraw/zinc/97/54/12/1070975412.db2.gz XDRBUCNGAQSQFZ-UHFFFAOYSA-N 0 0 450.524 0.007 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577880 1070975353 /nfs/dbraw/zinc/97/53/53/1070975353.db2.gz XFYKFRGZZGTUBP-UHFFFAOYSA-N 0 0 483.575 0.419 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726577923 1070975465 /nfs/dbraw/zinc/97/54/65/1070975465.db2.gz YHABZHXWBUKIPW-UHFFFAOYSA-N 0 0 474.502 0.144 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 ZINC000726577935 1070975315 /nfs/dbraw/zinc/97/53/15/1070975315.db2.gz YYQZCZDQMPJMHT-UHFFFAOYSA-N 0 0 452.517 0.641 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000726577942 1070975448 /nfs/dbraw/zinc/97/54/48/1070975448.db2.gz ZIJBZRYBGOCGNY-UHFFFAOYSA-N 0 0 458.471 0.910 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 ZINC000726577944 1070975282 /nfs/dbraw/zinc/97/52/82/1070975282.db2.gz ZKCRHLIOXPMYPQ-UHFFFAOYSA-N 0 0 480.527 0.419 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 ZINC000726577949 1070975343 /nfs/dbraw/zinc/97/53/43/1070975343.db2.gz ZQPLHXLYLYHEHZ-UHFFFAOYSA-N 0 0 468.564 0.584 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCC(C)C)c1 ZINC000726578047 1070975491 /nfs/dbraw/zinc/97/54/91/1070975491.db2.gz SXNUWPSVJLAMJS-UHFFFAOYSA-N 0 0 467.551 0.925 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NC2CC2)c1 ZINC000726578071 1070975476 /nfs/dbraw/zinc/97/54/76/1070975476.db2.gz UDCPWWHYXJZKDZ-UHFFFAOYSA-N 0 0 451.508 0.431 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC ZINC000726578177 1070975456 /nfs/dbraw/zinc/97/54/56/1070975456.db2.gz XFQTXVCKNGVJTC-UHFFFAOYSA-N 0 0 451.508 0.455 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000726578318 1070975365 /nfs/dbraw/zinc/97/53/65/1070975365.db2.gz ZOQMUPKRQNYGFF-AWEZNQCLSA-N 0 0 482.541 0.836 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000726578320 1070975484 /nfs/dbraw/zinc/97/54/84/1070975484.db2.gz ZOQMUPKRQNYGFF-CQSZACIVSA-N 0 0 482.541 0.836 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 ZINC000726578490 1070975924 /nfs/dbraw/zinc/97/59/24/1070975924.db2.gz CXKCZYXDFMGSQQ-UHFFFAOYSA-N 0 0 462.579 0.975 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 ZINC000726578664 1070976027 /nfs/dbraw/zinc/97/60/27/1070976027.db2.gz JUFPSNSFGLSMGJ-GOSISDBHSA-N 0 0 494.621 0.824 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 ZINC000726578665 1070976642 /nfs/dbraw/zinc/97/66/42/1070976642.db2.gz JUFPSNSFGLSMGJ-SFHVURJKSA-N 0 0 494.621 0.824 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 ZINC000726578942 1070975905 /nfs/dbraw/zinc/97/59/05/1070975905.db2.gz PCKBDFNHLXTWDF-UHFFFAOYSA-N 0 0 480.594 0.435 20 30 JCEDRN CN(CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCOCC1)c1ccccc1 ZINC000726579115 1070975846 /nfs/dbraw/zinc/97/58/46/1070975846.db2.gz VTTMDTVBGWUILH-UHFFFAOYSA-N 0 0 492.605 0.532 20 30 JCEDRN CN(CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000726579147 1070976000 /nfs/dbraw/zinc/97/60/00/1070976000.db2.gz XKOJQPRWTMBSES-UHFFFAOYSA-N 0 0 462.579 0.951 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccc(-n4cncn4)c(F)c3)sc2=C(C#N)C(=O)NC)c1 ZINC000726579173 1070976013 /nfs/dbraw/zinc/97/60/13/1070976013.db2.gz ZBNXLOVMKYGCLT-UHFFFAOYSA-N 0 0 470.489 0.849 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000726579202 1070975959 /nfs/dbraw/zinc/97/59/59/1070975959.db2.gz AEMAQBJURXGJPA-UHFFFAOYSA-N 0 0 485.569 0.227 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccccc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000726579203 1070975893 /nfs/dbraw/zinc/97/58/93/1070975893.db2.gz AIYQSBVOBQKPKG-UHFFFAOYSA-N 0 0 484.581 0.832 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726579581 1070976621 /nfs/dbraw/zinc/97/66/21/1070976621.db2.gz JFRZEUWHOZOKIN-UHFFFAOYSA-N 0 0 487.537 0.917 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)c1 ZINC000726579591 1070976678 /nfs/dbraw/zinc/97/66/78/1070976678.db2.gz JSSZSDMTJAWPHF-UHFFFAOYSA-N 0 0 469.570 0.942 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)c1 ZINC000726579610 1070976717 /nfs/dbraw/zinc/97/67/17/1070976717.db2.gz KLAWNYSLVIDCBN-UHFFFAOYSA-N 0 0 469.570 0.942 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726579717 1070976601 /nfs/dbraw/zinc/97/66/01/1070976601.db2.gz BYVSOZUKZOZBAG-UHFFFAOYSA-N 0 0 487.537 0.933 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cccs3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000726579869 1070976668 /nfs/dbraw/zinc/97/66/68/1070976668.db2.gz QLJXZPPMLCGOOG-UHFFFAOYSA-N 0 0 490.610 0.893 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccc(C)o3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000726579906 1070976634 /nfs/dbraw/zinc/97/66/34/1070976634.db2.gz RHGQZSPCUPFGEY-UHFFFAOYSA-N 0 0 488.569 0.733 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3csc(C)n3)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726580081 1070976650 /nfs/dbraw/zinc/97/66/50/1070976650.db2.gz JOVONYDQVNYQIJ-UHFFFAOYSA-N 0 0 450.545 0.911 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000726580123 1070976661 /nfs/dbraw/zinc/97/66/61/1070976661.db2.gz VJPAQELVMLHFTO-UHFFFAOYSA-N 0 0 485.569 0.227 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccsc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000726580211 1070976592 /nfs/dbraw/zinc/97/65/92/1070976592.db2.gz LPONSJAFFLTBAF-UHFFFAOYSA-N 0 0 490.610 0.893 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cc(C(=O)OC)c(C)o3)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726580302 1070976700 /nfs/dbraw/zinc/97/67/00/1070976700.db2.gz MNVWFCWUFGJCOK-UHFFFAOYSA-N 0 0 491.525 0.834 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnn(-c4ccccc4)n3)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726580379 1070976740 /nfs/dbraw/zinc/97/67/40/1070976740.db2.gz NZUHAWGAUBOXBQ-UHFFFAOYSA-N 0 0 496.552 0.727 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnc(C)s3)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726580961 1070976730 /nfs/dbraw/zinc/97/67/30/1070976730.db2.gz JFXWHGMEQWVUAX-UHFFFAOYSA-N 0 0 450.545 0.911 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCCOCC)c1 ZINC000726581122 1070976560 /nfs/dbraw/zinc/97/65/60/1070976560.db2.gz MDIBZAADLNJJAR-UHFFFAOYSA-N 0 0 461.547 0.660 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726581154 1070976612 /nfs/dbraw/zinc/97/66/12/1070976612.db2.gz NUTOTVXUJLMHKC-UHFFFAOYSA-N 0 0 473.510 0.875 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000726581177 1070976708 /nfs/dbraw/zinc/97/67/08/1070976708.db2.gz OXKHNVZLNMFGMO-UHFFFAOYSA-N 0 0 485.521 0.971 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCCOCC)c1 ZINC000726581208 1070976747 /nfs/dbraw/zinc/97/67/47/1070976747.db2.gz PDCGBBAUYNWQGD-UHFFFAOYSA-N 0 0 461.547 0.660 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)c1 ZINC000726581242 1070976571 /nfs/dbraw/zinc/97/65/71/1070976571.db2.gz PTNBSNMFOJHFQT-UHFFFAOYSA-N 0 0 472.574 0.281 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCN(CC)CC2)c1 ZINC000726581419 1070976760 /nfs/dbraw/zinc/97/67/60/1070976760.db2.gz UWCQSDXUCHGUAW-UHFFFAOYSA-N 0 0 472.574 0.281 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726581811 1070977402 /nfs/dbraw/zinc/97/74/02/1070977402.db2.gz KMVVLJMOTIPIJS-UHFFFAOYSA-N 0 0 461.547 0.496 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NCCCOC)c1 ZINC000726581997 1070977409 /nfs/dbraw/zinc/97/74/09/1070977409.db2.gz OQYBZGZVVSGJGH-UHFFFAOYSA-N 0 0 475.574 0.886 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000726582112 1070977329 /nfs/dbraw/zinc/97/73/29/1070977329.db2.gz SXISAJOSTAUYHA-UHFFFAOYSA-N 0 0 474.542 0.425 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000726582166 1070977301 /nfs/dbraw/zinc/97/73/01/1070977301.db2.gz VVUXEOYLLAPJQC-UHFFFAOYSA-N 0 0 473.558 0.593 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(C)C)cc1 ZINC000726582249 1070977228 /nfs/dbraw/zinc/97/72/28/1070977228.db2.gz ADJHMZBAQIYDSW-UHFFFAOYSA-N 0 0 467.551 0.685 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cccc4c3OCCO4)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726582255 1070977396 /nfs/dbraw/zinc/97/73/96/1070977396.db2.gz AJCJRHSHBZZDSK-UHFFFAOYSA-N 0 0 487.537 0.917 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)sc2=C(C#N)C(=O)NC)c1 ZINC000726582294 1070977339 /nfs/dbraw/zinc/97/73/39/1070977339.db2.gz CSBXVPUMYWOUQG-UHFFFAOYSA-N 0 0 488.481 0.809 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000726582344 1070977267 /nfs/dbraw/zinc/97/72/67/1070977267.db2.gz GFFAEMTUEANAQP-UHFFFAOYSA-N 0 0 491.598 0.288 20 30 JCEDRN CC(C)Oc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000726582436 1070976628 /nfs/dbraw/zinc/97/66/28/1070976628.db2.gz KKCOZJHOBDWVEZ-UHFFFAOYSA-N 0 0 479.562 0.782 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccc(S(C)(=O)=O)cc3)sc2=C(C#N)C(=O)NC)c1 ZINC000726582947 1070977206 /nfs/dbraw/zinc/97/72/06/1070977206.db2.gz XJWQNFPPBJKLRL-UHFFFAOYSA-N 0 0 463.540 0.533 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCCOC)c1 ZINC000726583003 1070977255 /nfs/dbraw/zinc/97/72/55/1070977255.db2.gz YTAJIRWYJLXHLC-UHFFFAOYSA-N 0 0 450.545 0.993 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1cccs1 ZINC000726583461 1070977277 /nfs/dbraw/zinc/97/72/77/1070977277.db2.gz ZYVAMSZCSVVWHW-KBPBESRZSA-N 0 0 457.581 0.968 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1cccs1 ZINC000726583466 1070977323 /nfs/dbraw/zinc/97/73/23/1070977323.db2.gz ZYVAMSZCSVVWHW-KGLIPLIRSA-N 0 0 457.581 0.968 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1cccs1 ZINC000726583468 1070977243 /nfs/dbraw/zinc/97/72/43/1070977243.db2.gz ZYVAMSZCSVVWHW-UONOGXRCSA-N 0 0 457.581 0.968 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1cccs1 ZINC000726583469 1070977347 /nfs/dbraw/zinc/97/73/47/1070977347.db2.gz ZYVAMSZCSVVWHW-ZIAGYGMSSA-N 0 0 457.581 0.968 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000726583677 1070977953 /nfs/dbraw/zinc/97/79/53/1070977953.db2.gz FCJKZHOBRIBXCI-UHFFFAOYSA-N 0 0 471.514 0.436 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@@H](C)c2cccs2)CC1 ZINC000726583681 1070977987 /nfs/dbraw/zinc/97/79/87/1070977987.db2.gz FHUYKFYCYBSQJD-INIZCTEOSA-N 0 0 482.635 0.981 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@H](C)c2cccs2)CC1 ZINC000726583682 1070978023 /nfs/dbraw/zinc/97/80/23/1070978023.db2.gz FHUYKFYCYBSQJD-MRXNPFEDSA-N 0 0 482.635 0.981 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000726583755 1070977891 /nfs/dbraw/zinc/97/78/91/1070977891.db2.gz HMXBQKMUXNFKBV-CYBMUJFWSA-N 0 0 471.514 0.434 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000726583756 1070978064 /nfs/dbraw/zinc/97/80/64/1070978064.db2.gz HMXBQKMUXNFKBV-ZDUSSCGKSA-N 0 0 471.514 0.434 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCCC2)cc1F ZINC000726583951 1070977973 /nfs/dbraw/zinc/97/79/73/1070977973.db2.gz KFXCTXSPMLPSQT-UHFFFAOYSA-N 0 0 453.499 0.906 20 30 JCEDRN C[C@@H](c1cccs1)n1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000726583978 1070978107 /nfs/dbraw/zinc/97/81/07/1070978107.db2.gz LARCIEKYDGQCMB-INIZCTEOSA-N 0 0 498.634 0.266 20 30 JCEDRN C[C@H](c1cccs1)n1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000726583979 1070978120 /nfs/dbraw/zinc/97/81/20/1070978120.db2.gz LARCIEKYDGQCMB-MRXNPFEDSA-N 0 0 498.634 0.266 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000726584034 1070978130 /nfs/dbraw/zinc/97/81/30/1070978130.db2.gz NJEZRFJNQDBCIY-UHFFFAOYSA-N 0 0 485.541 0.663 20 30 JCEDRN C[C@@H](c1cccs1)n1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000726584036 1070977908 /nfs/dbraw/zinc/97/79/08/1070977908.db2.gz NLABXGCGTXHVPS-AWEZNQCLSA-N 0 0 455.565 0.676 20 30 JCEDRN C[C@H](c1cccs1)n1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000726584037 1070977853 /nfs/dbraw/zinc/97/78/53/1070977853.db2.gz NLABXGCGTXHVPS-CQSZACIVSA-N 0 0 455.565 0.676 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000726584233 1070978079 /nfs/dbraw/zinc/97/80/79/1070978079.db2.gz PAJHQIVKLLEBIV-UHFFFAOYSA-N 0 0 457.487 0.046 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cc1F ZINC000726584296 1070977379 /nfs/dbraw/zinc/97/73/79/1070977379.db2.gz QFBMZJROYDAFHT-UHFFFAOYSA-N 0 0 469.498 0.142 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(OC)c(F)c2)CC1 ZINC000726584422 1070977368 /nfs/dbraw/zinc/97/73/68/1070977368.db2.gz RVQJXOKBZTXBPE-UHFFFAOYSA-N 0 0 496.568 0.447 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1cccs1 ZINC000726584615 1068234083 /nfs/dbraw/zinc/23/40/83/1068234083.db2.gz UXORXVDRXMLNEW-AWEZNQCLSA-N 0 0 457.581 0.970 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1cccs1 ZINC000726584617 1070978665 /nfs/dbraw/zinc/97/86/65/1070978665.db2.gz UXORXVDRXMLNEW-CQSZACIVSA-N 0 0 457.581 0.970 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000726584836 1070978628 /nfs/dbraw/zinc/97/86/28/1070978628.db2.gz IMGVSGHBTZZKDH-UHFFFAOYSA-N 0 0 472.527 0.891 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000726584892 1070978473 /nfs/dbraw/zinc/97/84/73/1070978473.db2.gz YKNGBLDKMAAJRX-UHFFFAOYSA-N 0 0 485.541 0.826 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)C[C@H](C)O1 ZINC000726584915 1070978601 /nfs/dbraw/zinc/97/86/01/1070978601.db2.gz LDGBIPPLIXHFKP-HDICACEKSA-N 0 0 490.586 0.252 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)C[C@@H](C)O1 ZINC000726584918 1070978430 /nfs/dbraw/zinc/97/84/30/1070978430.db2.gz LDGBIPPLIXHFKP-QZTJIDSGSA-N 0 0 490.586 0.252 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)C[C@H](C)O1 ZINC000726584919 1070978512 /nfs/dbraw/zinc/97/85/12/1070978512.db2.gz LDGBIPPLIXHFKP-ROUUACIJSA-N 0 0 490.586 0.252 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1F ZINC000726584930 1070978497 /nfs/dbraw/zinc/97/84/97/1070978497.db2.gz ZPJONMNSJNCGCY-UHFFFAOYSA-N 0 0 497.552 0.759 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)C[C@H](C)O1 ZINC000726584974 1070978687 /nfs/dbraw/zinc/97/86/87/1070978687.db2.gz NMOXYAYLEPPLLW-HDICACEKSA-N 0 0 490.586 0.252 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 ZINC000726584975 1070978538 /nfs/dbraw/zinc/97/85/38/1070978538.db2.gz NMOXYAYLEPPLLW-QZTJIDSGSA-N 0 0 490.586 0.252 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)C[C@H](C)O1 ZINC000726584976 1070978654 /nfs/dbraw/zinc/97/86/54/1070978654.db2.gz NMOXYAYLEPPLLW-ROUUACIJSA-N 0 0 490.586 0.252 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 ZINC000726585041 1070978581 /nfs/dbraw/zinc/97/85/81/1070978581.db2.gz JGJHIDZTBGVMGV-UHFFFAOYSA-N 0 0 472.527 0.891 20 30 JCEDRN Cc1cc(NC(=O)CN2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)no1 ZINC000726585348 1070977938 /nfs/dbraw/zinc/97/79/38/1070977938.db2.gz QSMCHHGGVPXUIQ-UHFFFAOYSA-N 0 0 451.487 0.833 20 30 JCEDRN Cc1cc(NC(=O)CN2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)no1 ZINC000726585369 1070977797 /nfs/dbraw/zinc/97/77/97/1070977797.db2.gz RPNKVXMGXHMMRF-UHFFFAOYSA-N 0 0 451.487 0.833 20 30 JCEDRN N#Cc1ccccc1CN1C(=O)CN(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC000726586069 1070979436 /nfs/dbraw/zinc/97/94/36/1070979436.db2.gz GGKVEIZTTBOAPT-UHFFFAOYSA-N 0 0 468.539 0.750 20 30 JCEDRN N#Cc1ccc(CN2C(=O)CN(CN3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)C2=O)cc1 ZINC000726586916 1070979338 /nfs/dbraw/zinc/97/93/38/1070979338.db2.gz RFNUHRVROVOBOI-UHFFFAOYSA-N 0 0 468.539 0.750 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1=O ZINC000726592018 1070979122 /nfs/dbraw/zinc/97/91/22/1070979122.db2.gz CGYVDOBAHIVMHV-UHFFFAOYSA-N 0 0 451.487 0.826 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000726597305 1070979948 /nfs/dbraw/zinc/97/99/48/1070979948.db2.gz GOUWLQOIYVNBFQ-KRWDZBQOSA-N 0 0 482.628 0.617 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000726597306 1070979856 /nfs/dbraw/zinc/97/98/56/1070979856.db2.gz GOUWLQOIYVNBFQ-QGZVFWFLSA-N 0 0 482.628 0.617 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000726597328 1070980015 /nfs/dbraw/zinc/98/00/15/1070980015.db2.gz HLNOWYBDEVWXGM-AEFFLSMTSA-N 0 0 482.628 0.471 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000726597329 1070979868 /nfs/dbraw/zinc/97/98/68/1070979868.db2.gz HLNOWYBDEVWXGM-WMZOPIPTSA-N 0 0 482.628 0.471 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)CC2)o1 ZINC000726649409 1070986881 /nfs/dbraw/zinc/98/68/81/1070986881.db2.gz GWIMTYRTFJJMPK-CYBMUJFWSA-N 0 0 458.475 0.300 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)CC2)o1 ZINC000726649412 1070986664 /nfs/dbraw/zinc/98/66/64/1070986664.db2.gz GWIMTYRTFJJMPK-ZDUSSCGKSA-N 0 0 458.475 0.300 20 30 JCEDRN CC(C)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1cc([N+](=O)[O-])cn1 ZINC000726661379 1070990785 /nfs/dbraw/zinc/99/07/85/1070990785.db2.gz NVWJMDOSHYFSAY-UHFFFAOYSA-N 0 0 490.498 0.474 20 30 JCEDRN CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000726662736 1070990629 /nfs/dbraw/zinc/99/06/29/1070990629.db2.gz WFMZSYZLNIPUFO-NRFANRHFSA-N 0 0 496.545 0.912 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)o1 ZINC000726669682 1070993472 /nfs/dbraw/zinc/99/34/72/1070993472.db2.gz LKVVXZULNLOVHB-UHFFFAOYSA-N 0 0 489.510 0.055 20 30 JCEDRN COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000726726621 1071001120 /nfs/dbraw/zinc/00/11/20/1071001120.db2.gz SPYZUBTXPSPBMT-ADSWHHSESA-N 0 0 465.532 0.785 20 30 JCEDRN COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000726726623 1071001142 /nfs/dbraw/zinc/00/11/42/1071001142.db2.gz SPYZUBTXPSPBMT-JRCVOMKHSA-N 0 0 465.532 0.785 20 30 JCEDRN COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000726726625 1071001180 /nfs/dbraw/zinc/00/11/80/1071001180.db2.gz SPYZUBTXPSPBMT-UBJVEFMGSA-N 0 0 465.532 0.785 20 30 JCEDRN COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000726726626 1071001161 /nfs/dbraw/zinc/00/11/61/1071001161.db2.gz SPYZUBTXPSPBMT-WSRQSJKRSA-N 0 0 465.532 0.785 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)cc1 ZINC000726727184 1071000624 /nfs/dbraw/zinc/00/06/24/1071000624.db2.gz UWSNXHKGUBCUND-LGUFXXKBSA-N 0 0 471.539 0.896 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)cc1 ZINC000726727334 1071000830 /nfs/dbraw/zinc/00/08/30/1071000830.db2.gz UWSNXHKGUBCUND-XHPQRKPJSA-N 0 0 471.539 0.896 20 30 JCEDRN COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 ZINC000726727750 1071001219 /nfs/dbraw/zinc/00/12/19/1071001219.db2.gz WNEUNZPMPBORDJ-ADSWHHSESA-N 0 0 465.532 0.785 20 30 JCEDRN COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 ZINC000726727751 1071001260 /nfs/dbraw/zinc/00/12/60/1071001260.db2.gz WNEUNZPMPBORDJ-JRCVOMKHSA-N 0 0 465.532 0.785 20 30 JCEDRN COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000726727752 1071001239 /nfs/dbraw/zinc/00/12/39/1071001239.db2.gz WNEUNZPMPBORDJ-UBJVEFMGSA-N 0 0 465.532 0.785 20 30 JCEDRN COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000726727753 1071001865 /nfs/dbraw/zinc/00/18/65/1071001865.db2.gz WNEUNZPMPBORDJ-WSRQSJKRSA-N 0 0 465.532 0.785 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)c1 ZINC000726729717 1071001763 /nfs/dbraw/zinc/00/17/63/1071001763.db2.gz AFQNRRSHECMYJX-LGUFXXKBSA-N 0 0 471.539 0.896 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)c1 ZINC000726729718 1071001609 /nfs/dbraw/zinc/00/16/09/1071001609.db2.gz AFQNRRSHECMYJX-XHPQRKPJSA-N 0 0 471.539 0.896 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCc2cnn(C)c2)C1=O ZINC000726738320 1071002061 /nfs/dbraw/zinc/00/20/61/1071002061.db2.gz UKFODIQSTHPQST-DVCONVQISA-N 0 0 478.600 0.636 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCc2cnn(C)c2)C1=O ZINC000726738324 1071001934 /nfs/dbraw/zinc/00/19/34/1071001934.db2.gz UKFODIQSTHPQST-HLGQQVFSSA-N 0 0 478.600 0.636 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCc2cnn(C)c2)C1=O ZINC000726738326 1071001998 /nfs/dbraw/zinc/00/19/98/1071001998.db2.gz UKFODIQSTHPQST-LRWZUSMTSA-N 0 0 478.600 0.636 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCc2cnn(C)c2)C1=O ZINC000726738328 1071002396 /nfs/dbraw/zinc/00/23/96/1071002396.db2.gz UKFODIQSTHPQST-OLRQPGBRSA-N 0 0 478.600 0.636 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1C ZINC000726769733 1071002698 /nfs/dbraw/zinc/00/26/98/1071002698.db2.gz FGMYRUJPUTXICJ-HAVVHWLPSA-N 0 0 482.588 0.848 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1C ZINC000726769736 1071002486 /nfs/dbraw/zinc/00/24/86/1071002486.db2.gz FGMYRUJPUTXICJ-QJOMJCCJSA-N 0 0 482.588 0.848 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1C ZINC000726769975 1071002753 /nfs/dbraw/zinc/00/27/53/1071002753.db2.gz HWNVWLPOKIVZFY-CJLVFECKSA-N 0 0 468.561 0.458 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1C ZINC000726769978 1071002642 /nfs/dbraw/zinc/00/26/42/1071002642.db2.gz HWNVWLPOKIVZFY-JWGURIENSA-N 0 0 468.561 0.458 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1C ZINC000726770048 1071002812 /nfs/dbraw/zinc/00/28/12/1071002812.db2.gz KGVOWYCNAVEMPI-CJLVFECKSA-N 0 0 468.561 0.458 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1C ZINC000726770050 1071002715 /nfs/dbraw/zinc/00/27/15/1071002715.db2.gz KGVOWYCNAVEMPI-JWGURIENSA-N 0 0 468.561 0.458 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1C ZINC000726770659 1071002832 /nfs/dbraw/zinc/00/28/32/1071002832.db2.gz YSLLUNRSNCNQSP-HAVVHWLPSA-N 0 0 482.588 0.848 20 30 JCEDRN Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1C ZINC000726770660 1071002524 /nfs/dbraw/zinc/00/25/24/1071002524.db2.gz YSLLUNRSNCNQSP-QJOMJCCJSA-N 0 0 482.588 0.848 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(OCCCC#N)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000726783344 1071003857 /nfs/dbraw/zinc/00/38/57/1071003857.db2.gz GAJYNSXGUPRXRL-UHFFFAOYSA-N 0 0 482.562 0.601 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(=O)N(C)C ZINC000726783383 1071003641 /nfs/dbraw/zinc/00/36/41/1071003641.db2.gz IDYQYSDJWRRPIU-UHFFFAOYSA-N 0 0 479.562 0.486 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccc4c(c3)OCCO4)c2=O)cn1 ZINC000726784618 1071003709 /nfs/dbraw/zinc/00/37/09/1071003709.db2.gz ICTPECNYWILBCN-UHFFFAOYSA-N 0 0 477.546 0.439 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000726784842 1071004090 /nfs/dbraw/zinc/00/40/90/1071004090.db2.gz KAYSKJPQFXNEQI-UHFFFAOYSA-N 0 0 477.546 0.462 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000726785255 1071003729 /nfs/dbraw/zinc/00/37/29/1071003729.db2.gz NJPJHMQMJRNVQA-UHFFFAOYSA-N 0 0 479.562 0.685 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000726785269 1071003508 /nfs/dbraw/zinc/00/35/08/1071003508.db2.gz NOBVYBSGEZLFLW-UHFFFAOYSA-N 0 0 479.562 0.686 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCc3ccc4c(c3)OCCO4)c2=O)cn1 ZINC000726785728 1071004309 /nfs/dbraw/zinc/00/43/09/1071004309.db2.gz UYVHYXCZCSYFMH-UHFFFAOYSA-N 0 0 491.573 0.783 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc2c(c1)OCCO2 ZINC000726785776 1071004071 /nfs/dbraw/zinc/00/40/71/1071004071.db2.gz VOIXTKINJUQICJ-UHFFFAOYSA-N 0 0 493.589 0.932 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000726786699 1071004230 /nfs/dbraw/zinc/00/42/30/1071004230.db2.gz ZKKBBUKCKLLWQS-UHFFFAOYSA-N 0 0 459.532 0.748 20 30 JCEDRN CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000726788266 1071003966 /nfs/dbraw/zinc/00/39/66/1071003966.db2.gz CUFATQGRAVBUDF-UHFFFAOYSA-N 0 0 474.539 0.516 20 30 JCEDRN CS(=O)(=O)c1ccc(C(N)=NOCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000726788613 1071004109 /nfs/dbraw/zinc/00/41/09/1071004109.db2.gz RBEIOUFCADEFIP-UHFFFAOYSA-N 0 0 483.568 0.827 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000726788628 1071004151 /nfs/dbraw/zinc/00/41/51/1071004151.db2.gz SACVNBVHFSBARW-UHFFFAOYSA-N 0 0 454.530 0.616 20 30 JCEDRN CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000726788643 1071004344 /nfs/dbraw/zinc/00/43/44/1071004344.db2.gz UFVMNUDSEBDERN-INIZCTEOSA-N 0 0 457.574 0.685 20 30 JCEDRN CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000726788644 1071003991 /nfs/dbraw/zinc/00/39/91/1071003991.db2.gz UFVMNUDSEBDERN-MRXNPFEDSA-N 0 0 457.574 0.685 20 30 JCEDRN CS(=O)(=O)c1ccc(C(N)=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000726788682 1071004270 /nfs/dbraw/zinc/00/42/70/1071004270.db2.gz WLGWOULACKTRGP-UHFFFAOYSA-N 0 0 496.567 0.387 20 30 JCEDRN CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000726788699 1071004326 /nfs/dbraw/zinc/00/43/26/1071004326.db2.gz XGXQWTRBJPJACM-UHFFFAOYSA-N 0 0 480.568 0.260 20 30 JCEDRN CS(=O)(=O)c1ccc(C(N)=NOCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000726788724 1071004291 /nfs/dbraw/zinc/00/42/91/1071004291.db2.gz YIZKBICHWZZWOU-UHFFFAOYSA-N 0 0 496.567 0.387 20 30 JCEDRN Cc1nnc2ccc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cn12 ZINC000726813989 1071005979 /nfs/dbraw/zinc/00/59/79/1071005979.db2.gz FOHQPFFCKHCXNS-UHFFFAOYSA-N 0 0 468.495 0.599 20 30 JCEDRN Cc1nc(/C=C/c2cn(C)c(=O)n(C)c2=O)sc1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000726847812 1071009241 /nfs/dbraw/zinc/00/92/41/1071009241.db2.gz IOEVZZUUGHMWMZ-CDJQDVQCSA-N 0 0 455.496 0.313 20 30 JCEDRN Cc1nc(/C=C\c2cn(C)c(=O)n(C)c2=O)sc1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000726847813 1071008893 /nfs/dbraw/zinc/00/88/93/1071008893.db2.gz IOEVZZUUGHMWMZ-FFELTBSMSA-N 0 0 455.496 0.313 20 30 JCEDRN Cc1nc(/C=C/c2cn(C)c(=O)n(C)c2=O)sc1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000726847814 1071009099 /nfs/dbraw/zinc/00/90/99/1071009099.db2.gz IOEVZZUUGHMWMZ-MKKAVFGOSA-N 0 0 455.496 0.313 20 30 JCEDRN Cc1nc(/C=C\c2cn(C)c(=O)n(C)c2=O)sc1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000726847815 1071009024 /nfs/dbraw/zinc/00/90/24/1071009024.db2.gz IOEVZZUUGHMWMZ-VRHVFUOLSA-N 0 0 455.496 0.313 20 30 JCEDRN CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 ZINC000726888467 1071011341 /nfs/dbraw/zinc/01/13/41/1071011341.db2.gz MSSHUWBADCVTQS-AWEZNQCLSA-N 0 0 457.578 0.829 20 30 JCEDRN CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 ZINC000726888471 1071011712 /nfs/dbraw/zinc/01/17/12/1071011712.db2.gz MSSHUWBADCVTQS-CQSZACIVSA-N 0 0 457.578 0.829 20 30 JCEDRN CCN(CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1)S(C)(=O)=O ZINC000726890220 1069125171 /nfs/dbraw/zinc/12/51/71/1069125171.db2.gz VKMPWXIVOUYROL-AWEZNQCLSA-N 0 0 457.578 0.829 20 30 JCEDRN CCN(CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1)S(C)(=O)=O ZINC000726890228 1071011323 /nfs/dbraw/zinc/01/13/23/1071011323.db2.gz VKMPWXIVOUYROL-CQSZACIVSA-N 0 0 457.578 0.829 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000726960591 1071013335 /nfs/dbraw/zinc/01/33/35/1071013335.db2.gz AKUMHFJZIAQCSH-UHFFFAOYSA-N 0 0 474.550 0.905 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCc2ccco2)cn1 ZINC000726960661 1069453891 /nfs/dbraw/zinc/45/38/91/1069453891.db2.gz BSNCUEVLXQZACL-UHFFFAOYSA-N 0 0 462.491 0.449 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000726960837 1071013557 /nfs/dbraw/zinc/01/35/57/1071013557.db2.gz BTJFHKMODKKIHE-UHFFFAOYSA-N 0 0 473.942 0.560 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(OC)nc1 ZINC000726960868 1071013432 /nfs/dbraw/zinc/01/34/32/1071013432.db2.gz BYMIUQJEUQYQCP-UHFFFAOYSA-N 0 0 471.564 0.723 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NCC(C)C)cn1 ZINC000726960935 1071013537 /nfs/dbraw/zinc/01/35/37/1071013537.db2.gz CQHLYZXVYGLLHX-UHFFFAOYSA-N 0 0 466.567 0.928 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000726960962 1071013578 /nfs/dbraw/zinc/01/35/78/1071013578.db2.gz CXNPLBALCXWWBX-UHFFFAOYSA-N 0 0 480.550 0.015 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000726961033 1071013467 /nfs/dbraw/zinc/01/34/67/1071013467.db2.gz DVMINEBBNIUEAV-UHFFFAOYSA-N 0 0 482.566 0.520 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cc1Cl ZINC000726961042 1071013356 /nfs/dbraw/zinc/01/33/56/1071013356.db2.gz DXUKNTCKVIPKJN-UHFFFAOYSA-N 0 0 485.953 0.656 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C(C)(C)C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000726961079 1071013618 /nfs/dbraw/zinc/01/36/18/1071013618.db2.gz FMETWJJXSCSXSX-UHFFFAOYSA-N 0 0 494.577 0.616 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000726961185 1071013413 /nfs/dbraw/zinc/01/34/13/1071013413.db2.gz GAJWMWHKELHRMU-CYBMUJFWSA-N 0 0 487.969 0.949 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000726961204 1071013314 /nfs/dbraw/zinc/01/33/14/1071013314.db2.gz GAJWMWHKELHRMU-ZDUSSCGKSA-N 0 0 487.969 0.949 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000726961288 1071013639 /nfs/dbraw/zinc/01/36/39/1071013639.db2.gz HENHZVSGYVOMJV-UHFFFAOYSA-N 0 0 452.540 0.681 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(-c4ccccc4)n3)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000726961334 1071013498 /nfs/dbraw/zinc/01/34/98/1071013498.db2.gz HCGIOZYAEXSZHU-UHFFFAOYSA-N 0 0 485.529 0.665 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)nc1 ZINC000726961519 1071013656 /nfs/dbraw/zinc/01/36/56/1071013656.db2.gz JWSWJPMPAFVISQ-UHFFFAOYSA-N 0 0 482.566 0.309 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000726961543 1071013673 /nfs/dbraw/zinc/01/36/73/1071013673.db2.gz KANMYHIJMYZWAW-UHFFFAOYSA-N 0 0 450.524 0.435 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(OC)nc1 ZINC000726961597 1071013598 /nfs/dbraw/zinc/01/35/98/1071013598.db2.gz KZQSPCPKVSLHJG-UHFFFAOYSA-N 0 0 457.537 0.333 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000726961740 1071013374 /nfs/dbraw/zinc/01/33/74/1071013374.db2.gz MBZHNFQOTHSPDX-UHFFFAOYSA-N 0 0 496.618 0.735 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)nc1 ZINC000726961759 1071013517 /nfs/dbraw/zinc/01/35/17/1071013517.db2.gz MCTDGIMWAYMTAU-UHFFFAOYSA-N 0 0 450.524 0.458 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000726962046 1071013971 /nfs/dbraw/zinc/01/39/71/1071013971.db2.gz OWTVBNFTYWIJAT-UHFFFAOYSA-N 0 0 496.593 0.910 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)nc1 ZINC000726962127 1071014091 /nfs/dbraw/zinc/01/40/91/1071014091.db2.gz PDYOFTLXNXKODI-UHFFFAOYSA-N 0 0 496.593 0.699 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000726962138 1071013814 /nfs/dbraw/zinc/01/38/14/1071013814.db2.gz OXLWTUWIONJXDO-UHFFFAOYSA-N 0 0 459.491 0.573 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnc(C)s3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000726962411 1071013784 /nfs/dbraw/zinc/01/37/84/1071013784.db2.gz UXZLQZWKLKEDDY-UHFFFAOYSA-N 0 0 469.548 0.429 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)N2CCCC2)cn1 ZINC000726962596 1069454489 /nfs/dbraw/zinc/45/44/89/1069454489.db2.gz VJIMXQJUOYASAL-UHFFFAOYSA-N 0 0 464.551 0.778 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(OC)nc1 ZINC000726962612 1071013859 /nfs/dbraw/zinc/01/38/59/1071013859.db2.gz QXIMTCVCZLTNSF-UHFFFAOYSA-N 0 0 485.529 0.689 20 30 JCEDRN CCOc1ccc(OCC)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726962646 1071013827 /nfs/dbraw/zinc/01/38/27/1071013827.db2.gz RTUHTQOFUIQMBO-UHFFFAOYSA-N 0 0 497.577 0.696 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000726962648 1071014037 /nfs/dbraw/zinc/01/40/37/1071014037.db2.gz WYUAYWMFDBWVNU-UHFFFAOYSA-N 0 0 487.969 0.950 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCCOC(C)C)cn1 ZINC000726962711 1071013481 /nfs/dbraw/zinc/01/34/81/1071013481.db2.gz UMLBFGRYJKENBX-UHFFFAOYSA-N 0 0 482.566 0.470 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(OC)nc1 ZINC000726962715 1071013291 /nfs/dbraw/zinc/01/32/91/1071013291.db2.gz ZFVKNOVTMHSHKN-UHFFFAOYSA-N 0 0 452.540 0.682 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000726962721 1071013452 /nfs/dbraw/zinc/01/34/52/1071013452.db2.gz ZJLKHMHLSPJBSM-HNNXBMFYSA-N 0 0 496.593 0.908 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000726962722 1071013879 /nfs/dbraw/zinc/01/38/79/1071013879.db2.gz ZJLKHMHLSPJBSM-OAHLLOKOSA-N 0 0 496.593 0.908 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NC2CCCC2)cn1 ZINC000726962942 1071013799 /nfs/dbraw/zinc/01/37/99/1071013799.db2.gz WSHBNUCDJSFFOT-UHFFFAOYSA-N 0 0 450.524 0.598 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(OC)nc1 ZINC000726962947 1071014129 /nfs/dbraw/zinc/01/41/29/1071014129.db2.gz WSULUWFZVWDUON-UHFFFAOYSA-N 0 0 487.545 0.913 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn(-c4ccccc4)n3)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000726963076 1071014073 /nfs/dbraw/zinc/01/40/73/1071014073.db2.gz YHVJHXBBSJVEOB-UHFFFAOYSA-N 0 0 487.545 0.911 20 30 JCEDRN CCOc1ccc(OCC)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NC)c1 ZINC000726963083 1071013845 /nfs/dbraw/zinc/01/38/45/1071013845.db2.gz YISYQLGHSMSJNH-UHFFFAOYSA-N 0 0 453.524 0.679 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000726963114 1071013994 /nfs/dbraw/zinc/01/39/94/1071013994.db2.gz YUAGSXCKQLRLRP-UHFFFAOYSA-N 0 0 468.539 0.082 20 30 JCEDRN CCOC(=O)N(C)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000726971300 1071013898 /nfs/dbraw/zinc/01/38/98/1071013898.db2.gz LBMXJQZSMRBHNU-UHFFFAOYSA-N 0 0 477.587 0.944 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000726988329 1071014995 /nfs/dbraw/zinc/01/49/95/1071014995.db2.gz ONZGORGFHNIYSW-INIZCTEOSA-N 0 0 484.494 0.391 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000726988330 1071014701 /nfs/dbraw/zinc/01/47/01/1071014701.db2.gz ONZGORGFHNIYSW-MRXNPFEDSA-N 0 0 484.494 0.391 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000726990236 1071015342 /nfs/dbraw/zinc/01/53/42/1071015342.db2.gz JQZOIRWTGLMDMR-UHFFFAOYSA-N 0 0 458.456 0.809 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000726990962 1071015406 /nfs/dbraw/zinc/01/54/06/1071015406.db2.gz XRBLTNBRROZCDE-UHFFFAOYSA-N 0 0 453.440 0.195 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000726994733 1071015324 /nfs/dbraw/zinc/01/53/24/1071015324.db2.gz NAYCRUAXXHBNTI-UHFFFAOYSA-N 0 0 472.469 0.975 20 30 JCEDRN Cn1c2ncn(CCC(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)c2c(=O)n(C)c1=O ZINC000726995638 1071015204 /nfs/dbraw/zinc/01/52/04/1071015204.db2.gz RNLCXYHILKTVMK-UHFFFAOYSA-N 0 0 476.453 0.063 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000726995741 1071015445 /nfs/dbraw/zinc/01/54/45/1071015445.db2.gz BYOKXMGGCLVWKY-PBHICJAKSA-N 0 0 471.495 0.261 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000726995750 1071015221 /nfs/dbraw/zinc/01/52/21/1071015221.db2.gz BYOKXMGGCLVWKY-RHSMWYFYSA-N 0 0 471.495 0.261 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000726995754 1071015560 /nfs/dbraw/zinc/01/55/60/1071015560.db2.gz BYOKXMGGCLVWKY-WMLDXEAASA-N 0 0 471.495 0.261 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000726995757 1071015520 /nfs/dbraw/zinc/01/55/20/1071015520.db2.gz BYOKXMGGCLVWKY-YOEHRIQHSA-N 0 0 471.495 0.261 20 30 JCEDRN Cn1c2nc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)ccc2c(=O)n(C)c1=O ZINC000726995879 1071015540 /nfs/dbraw/zinc/01/55/40/1071015540.db2.gz CKWJZVPACAPPGN-UHFFFAOYSA-N 0 0 459.422 0.485 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000726996426 1071015426 /nfs/dbraw/zinc/01/54/26/1071015426.db2.gz ZLJDQVYDLJYJKB-UHFFFAOYSA-N 0 0 498.521 0.899 20 30 JCEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000726996433 1071015166 /nfs/dbraw/zinc/01/51/66/1071015166.db2.gz KGACNAOWFIVNLF-UHFFFAOYSA-N 0 0 454.468 0.989 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000727006959 1071016624 /nfs/dbraw/zinc/01/66/24/1071016624.db2.gz PYRFWFYBLORWGF-AWEZNQCLSA-N 0 0 463.516 0.894 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000727006962 1071016914 /nfs/dbraw/zinc/01/69/14/1071016914.db2.gz PYRFWFYBLORWGF-CQSZACIVSA-N 0 0 463.516 0.894 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000727007519 1071016172 /nfs/dbraw/zinc/01/61/72/1071016172.db2.gz DXJMTKDRZPHFDU-UHFFFAOYSA-N 0 0 495.517 0.236 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000727007529 1071016132 /nfs/dbraw/zinc/01/61/32/1071016132.db2.gz DYXXVFLQNRZANO-UHFFFAOYSA-N 0 0 488.497 0.503 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000727007744 1071016372 /nfs/dbraw/zinc/01/63/72/1071016372.db2.gz GKHJFMSAKGIHSD-UHFFFAOYSA-N 0 0 488.497 0.503 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1C ZINC000727007855 1071016152 /nfs/dbraw/zinc/01/61/52/1071016152.db2.gz MFFSYGQHZCSKOY-UHFFFAOYSA-N 0 0 457.472 0.246 20 30 JCEDRN Cn1c(=O)c(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000727007982 1067842172 /nfs/dbraw/zinc/84/21/72/1067842172.db2.gz JJJORIGBFMWEHY-UHFFFAOYSA-N 0 0 475.461 0.205 20 30 JCEDRN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000727008037 1067842256 /nfs/dbraw/zinc/84/22/56/1067842256.db2.gz JSKCKJATUCGIQN-CYBMUJFWSA-N 0 0 456.480 0.456 20 30 JCEDRN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000727008042 1067842852 /nfs/dbraw/zinc/84/28/52/1067842852.db2.gz JSKCKJATUCGIQN-ZDUSSCGKSA-N 0 0 456.480 0.456 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000727008140 1067841736 /nfs/dbraw/zinc/84/17/36/1067841736.db2.gz LSEGHSDIXIVFMT-UHFFFAOYSA-N 0 0 473.507 0.931 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1C ZINC000727008290 1067839028 /nfs/dbraw/zinc/83/90/28/1067839028.db2.gz NLCLYSKNCMQQPC-UHFFFAOYSA-N 0 0 498.561 0.981 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000727008339 1067838487 /nfs/dbraw/zinc/83/84/87/1067838487.db2.gz NXZKPVMDQYPAPI-UHFFFAOYSA-N 0 0 450.495 0.980 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000727008591 1067840263 /nfs/dbraw/zinc/84/02/63/1067840263.db2.gz PDWZESIHKXDHQF-UHFFFAOYSA-N 0 0 470.507 0.364 20 30 JCEDRN COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C ZINC000727008679 1067841167 /nfs/dbraw/zinc/84/11/67/1067841167.db2.gz QYDPMGDYROARCB-UHFFFAOYSA-N 0 0 474.495 0.729 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000727008804 1067840725 /nfs/dbraw/zinc/84/07/25/1067840725.db2.gz VNTMSJLZDZHIQN-UHFFFAOYSA-N 0 0 488.497 0.503 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000727008875 1069615468 /nfs/dbraw/zinc/61/54/68/1069615468.db2.gz XLADWZHTAYGMBW-GDNBJRDFSA-N 0 0 496.545 0.976 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000727008877 1069497827 /nfs/dbraw/zinc/49/78/27/1069497827.db2.gz XLADWZHTAYGMBW-XNTDXEJSSA-N 0 0 496.545 0.976 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000727008910 1069615438 /nfs/dbraw/zinc/61/54/38/1069615438.db2.gz YCKLPSCOFUNQGH-UHFFFAOYSA-N 0 0 484.534 0.505 20 30 JCEDRN CC(C)[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000727010057 1069616159 /nfs/dbraw/zinc/61/61/59/1069616159.db2.gz KQXDCVOLQBQVNB-FQEVSTJZSA-N 0 0 450.499 0.995 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000727010058 1069497850 /nfs/dbraw/zinc/49/78/50/1069497850.db2.gz KQXDCVOLQBQVNB-HXUWFJFHSA-N 0 0 450.499 0.995 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000727010339 1069498316 /nfs/dbraw/zinc/49/83/16/1069498316.db2.gz VGVSDGBEBYAAMO-UHFFFAOYSA-N 0 0 481.484 0.753 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000727010764 1069616247 /nfs/dbraw/zinc/61/62/47/1069616247.db2.gz LIHFHYCWBNDQST-UHFFFAOYSA-N 0 0 486.506 0.491 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000727010804 1069616239 /nfs/dbraw/zinc/61/62/39/1069616239.db2.gz MSDBCSQSSFOUEP-UHFFFAOYSA-N 0 0 486.506 0.491 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1 ZINC000727010807 1069616201 /nfs/dbraw/zinc/61/62/01/1069616201.db2.gz MUKZQAQGNXQFSM-UHFFFAOYSA-N 0 0 483.506 0.941 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000727010883 1069616215 /nfs/dbraw/zinc/61/62/15/1069616215.db2.gz PUPLKUUGXBUPOQ-MSOLQXFVSA-N 0 0 463.512 0.026 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000727010884 1069616223 /nfs/dbraw/zinc/61/62/23/1069616223.db2.gz PUPLKUUGXBUPOQ-QZTJIDSGSA-N 0 0 463.512 0.026 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000727010885 1069616113 /nfs/dbraw/zinc/61/61/13/1069616113.db2.gz PUPLKUUGXBUPOQ-ROUUACIJSA-N 0 0 463.512 0.026 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000727010886 1069616127 /nfs/dbraw/zinc/61/61/27/1069616127.db2.gz PUPLKUUGXBUPOQ-ZWKOTPCHSA-N 0 0 463.512 0.026 20 30 JCEDRN C[C@H](NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000727010959 1069616169 /nfs/dbraw/zinc/61/61/69/1069616169.db2.gz SPYGJMYMAGJGBM-KBPBESRZSA-N 0 0 458.496 0.745 20 30 JCEDRN C[C@@H](NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000727010960 1069616234 /nfs/dbraw/zinc/61/62/34/1069616234.db2.gz SPYGJMYMAGJGBM-KGLIPLIRSA-N 0 0 458.496 0.745 20 30 JCEDRN C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000727010961 1069616150 /nfs/dbraw/zinc/61/61/50/1069616150.db2.gz SPYGJMYMAGJGBM-UONOGXRCSA-N 0 0 458.496 0.745 20 30 JCEDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000727010962 1069616190 /nfs/dbraw/zinc/61/61/90/1069616190.db2.gz SPYGJMYMAGJGBM-ZIAGYGMSSA-N 0 0 458.496 0.745 20 30 JCEDRN CCn1c(=O)c(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000727010968 1069616270 /nfs/dbraw/zinc/61/62/70/1069616270.db2.gz SWYLZFVBOHACLF-UHFFFAOYSA-N 0 0 489.488 0.688 20 30 JCEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)C2=O)cc1 ZINC000727011769 1069616134 /nfs/dbraw/zinc/61/61/34/1069616134.db2.gz AVCXGLWDNAHEFK-HSZRJFAPSA-N 0 0 479.449 0.338 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)C2=O)cc1 ZINC000727011771 1069616209 /nfs/dbraw/zinc/61/62/09/1069616209.db2.gz AVCXGLWDNAHEFK-QHCPKHFHSA-N 0 0 479.449 0.338 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000727011834 1069616978 /nfs/dbraw/zinc/61/69/78/1069616978.db2.gz CZTLGNSOQVBQSZ-UHFFFAOYSA-N 0 0 464.478 0.620 20 30 JCEDRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O ZINC000727012060 1069616952 /nfs/dbraw/zinc/61/69/52/1069616952.db2.gz FDXCEGDTHVJCRG-HSZRJFAPSA-N 0 0 463.450 0.720 20 30 JCEDRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O ZINC000727012062 1069616969 /nfs/dbraw/zinc/61/69/69/1069616969.db2.gz FDXCEGDTHVJCRG-QHCPKHFHSA-N 0 0 463.450 0.720 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1C ZINC000727013330 1069617674 /nfs/dbraw/zinc/61/76/74/1069617674.db2.gz KXLJBNLANHUEOP-UHFFFAOYSA-N 0 0 472.445 0.737 20 30 JCEDRN C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000727013726 1069617681 /nfs/dbraw/zinc/61/76/81/1069617681.db2.gz YVCVWNVKTFLBAC-AWEZNQCLSA-N 0 0 458.496 0.226 20 30 JCEDRN C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000727013728 1069617619 /nfs/dbraw/zinc/61/76/19/1069617619.db2.gz YVCVWNVKTFLBAC-CQSZACIVSA-N 0 0 458.496 0.226 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1C ZINC000727014031 1069619709 /nfs/dbraw/zinc/61/97/09/1069619709.db2.gz QHGKBFQBNBPTLR-JTQLQIEISA-N 0 0 451.530 0.999 20 30 JCEDRN Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1C ZINC000727014033 1069619722 /nfs/dbraw/zinc/61/97/22/1069619722.db2.gz QHGKBFQBNBPTLR-SNVBAGLBSA-N 0 0 451.530 0.999 20 30 JCEDRN COC(=O)CCn1nc(C)c(CN=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1C ZINC000727059680 1069621010 /nfs/dbraw/zinc/62/10/10/1069621010.db2.gz ULYOPXRECCWQJD-UHFFFAOYSA-N 0 0 463.564 0.840 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 ZINC000727091098 1069625972 /nfs/dbraw/zinc/62/59/72/1069625972.db2.gz HUYXDYCCWLHPGH-UHFFFAOYSA-N 0 0 457.288 0.653 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 ZINC000727091706 1069626006 /nfs/dbraw/zinc/62/60/06/1069626006.db2.gz LABBSMXOYCKHEJ-UHFFFAOYSA-N 0 0 457.288 0.971 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)N1CCN(c3ccc(C#N)cn3)CC1)c2=O ZINC000727092246 1069626781 /nfs/dbraw/zinc/62/67/81/1069626781.db2.gz NSWYGXUYKFMDHU-UHFFFAOYSA-N 0 0 457.292 0.508 20 30 JCEDRN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000727092807 1069626038 /nfs/dbraw/zinc/62/60/38/1069626038.db2.gz DALPCDXZTGDHOG-UHFFFAOYSA-N 0 0 466.317 0.980 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)N1CCN(c3cc(C#N)ccn3)CC1)c2=O ZINC000727100438 1069627253 /nfs/dbraw/zinc/62/72/53/1069627253.db2.gz PQWYNTLQEJLNIT-UHFFFAOYSA-N 0 0 457.292 0.508 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)N1CCN(c3ncccc3C#N)CC1)c2=O ZINC000727100880 1069627518 /nfs/dbraw/zinc/62/75/18/1069627518.db2.gz NMNOQWGEAKYWEM-UHFFFAOYSA-N 0 0 457.292 0.508 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)c2=O ZINC000727102558 1069628510 /nfs/dbraw/zinc/62/85/10/1069628510.db2.gz RTMUFLRFUUONDT-UHFFFAOYSA-N 0 0 487.318 0.978 20 30 JCEDRN COc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(N2CCN(C(C)=O)CC2)n1 ZINC000727104832 1069630155 /nfs/dbraw/zinc/63/01/55/1069630155.db2.gz GTMXYCIVTDQCPQ-UHFFFAOYSA-N 0 0 486.554 0.826 20 30 JCEDRN NS(=O)(=O)Cc1cccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000727108538 1069631550 /nfs/dbraw/zinc/63/15/50/1069631550.db2.gz VLWDMKHYKVXVPL-UHFFFAOYSA-N 0 0 450.542 0.610 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O ZINC000727160344 1069639010 /nfs/dbraw/zinc/63/90/10/1069639010.db2.gz BPSGNFIKGXVOLY-UHFFFAOYSA-N 0 0 474.546 0.414 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O ZINC000727160346 1069638980 /nfs/dbraw/zinc/63/89/80/1069638980.db2.gz BQYISPYROBTIFD-UHFFFAOYSA-N 0 0 462.535 0.271 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(SC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000727160349 1069639018 /nfs/dbraw/zinc/63/90/18/1069639018.db2.gz BRFKMTDKMOEKDM-UHFFFAOYSA-N 0 0 468.482 0.789 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O ZINC000727160356 1069638995 /nfs/dbraw/zinc/63/89/95/1069638995.db2.gz BTJWKPLILJHOEO-UHFFFAOYSA-N 0 0 462.531 0.328 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O ZINC000727160361 1069638915 /nfs/dbraw/zinc/63/89/15/1069638915.db2.gz BWOJFTJCPODCLC-LLVKDONJSA-N 0 0 472.479 0.193 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(N)=O ZINC000727160362 1069639007 /nfs/dbraw/zinc/63/90/07/1069639007.db2.gz BWOJFTJCPODCLC-NSHDSACASA-N 0 0 472.479 0.193 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O ZINC000727160405 1069638901 /nfs/dbraw/zinc/63/89/01/1069638901.db2.gz DKQUGGLKSNUAKH-UHFFFAOYSA-N 0 0 462.535 0.127 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O ZINC000727160608 1069638970 /nfs/dbraw/zinc/63/89/70/1069638970.db2.gz GKFUYAWKIBHJOW-UHFFFAOYSA-N 0 0 474.542 0.424 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3F)cc2)c(=O)n1CC(N)=O ZINC000727160619 1069638893 /nfs/dbraw/zinc/63/88/93/1069638893.db2.gz GVXSZWYOUSADOS-UHFFFAOYSA-N 0 0 492.532 0.918 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cn1 ZINC000727160740 1069638323 /nfs/dbraw/zinc/63/83/23/1069638323.db2.gz JKPIVVTYUNERBW-UHFFFAOYSA-N 0 0 450.524 0.488 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000727160743 1069638954 /nfs/dbraw/zinc/63/89/54/1069638954.db2.gz JPUPLRLXUOPRAD-UHFFFAOYSA-N 0 0 486.497 0.273 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3c(Cl)cccc3Cl)n(CC(N)=O)c2=O)cn1 ZINC000727160788 1069639014 /nfs/dbraw/zinc/63/90/14/1069639014.db2.gz KXTFUFIYPZDVRP-UHFFFAOYSA-N 0 0 462.318 0.821 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3Br)n(CC(N)=O)c2=O)cn1 ZINC000727160793 1069638879 /nfs/dbraw/zinc/63/88/79/1069638879.db2.gz KYXZPVWXRQPPFG-UHFFFAOYSA-N 0 0 487.339 0.033 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3cccc(F)c3)cc2)c(=O)n1CC(N)=O ZINC000727160864 1069638441 /nfs/dbraw/zinc/63/84/41/1069638441.db2.gz LGVHMFNBDOHGRY-UHFFFAOYSA-N 0 0 492.532 0.918 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cn1 ZINC000727160899 1069638281 /nfs/dbraw/zinc/63/82/81/1069638281.db2.gz LNZAJVAAHXHXTH-UHFFFAOYSA-N 0 0 453.499 0.872 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O ZINC000727160920 1069638459 /nfs/dbraw/zinc/63/84/59/1069638459.db2.gz LWZQLRBJGCBIBY-UHFFFAOYSA-N 0 0 465.535 0.741 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O ZINC000727161070 1069639001 /nfs/dbraw/zinc/63/90/01/1069639001.db2.gz OCFUYTDKSOBKOB-UHFFFAOYSA-N 0 0 476.558 0.718 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O ZINC000727161079 1069638908 /nfs/dbraw/zinc/63/89/08/1069638908.db2.gz OGHZDKYAYDDIFE-UHFFFAOYSA-N 0 0 494.577 0.887 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(N)=O ZINC000727161144 1069639716 /nfs/dbraw/zinc/63/97/16/1069639716.db2.gz QBZGSQLKGFRAHE-UHFFFAOYSA-N 0 0 478.958 0.103 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O ZINC000727161199 1069639742 /nfs/dbraw/zinc/63/97/42/1069639742.db2.gz RLWXFYQRWGOYTO-UHFFFAOYSA-N 0 0 460.943 0.619 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3cc(Cl)cc(Cl)c3)n(CC(N)=O)c2=O)cn1 ZINC000727161234 1069639766 /nfs/dbraw/zinc/63/97/66/1069639766.db2.gz SHJCXKMLZKBUJW-UHFFFAOYSA-N 0 0 462.318 0.821 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O ZINC000727161266 1069639754 /nfs/dbraw/zinc/63/97/54/1069639754.db2.gz TVNDLZMBEXWSHT-UHFFFAOYSA-N 0 0 482.525 0.994 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCc3ccccc3F)cc2)c(=O)n1CC(N)=O ZINC000727161284 1069639630 /nfs/dbraw/zinc/63/96/30/1069639630.db2.gz UTUQFUKOYQWSJU-UHFFFAOYSA-N 0 0 492.532 0.895 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(SC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000727161324 1069639780 /nfs/dbraw/zinc/63/97/80/1069639780.db2.gz VLRZITNGYZBHCA-UHFFFAOYSA-N 0 0 498.508 0.369 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cn1 ZINC000727161332 1069639681 /nfs/dbraw/zinc/63/96/81/1069639681.db2.gz VZLJWAJNXTZRIW-UHFFFAOYSA-N 0 0 479.518 0.461 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC(F)(F)F)cc2)c(=O)n1CC(N)=O ZINC000727161336 1069639708 /nfs/dbraw/zinc/63/97/08/1069639708.db2.gz WDXIKDAWANCUIS-UHFFFAOYSA-N 0 0 468.482 0.812 20 30 JCEDRN CCCCCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 ZINC000727161354 1069639786 /nfs/dbraw/zinc/63/97/86/1069639786.db2.gz XFMWSIMDHJGHDE-UHFFFAOYSA-N 0 0 498.605 0.716 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cn1 ZINC000727161376 1069639645 /nfs/dbraw/zinc/63/96/45/1069639645.db2.gz XNGREXGPHNOQQJ-UHFFFAOYSA-N 0 0 453.499 0.872 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2I)c(=O)n1CC(N)=O ZINC000727162493 1069639724 /nfs/dbraw/zinc/63/97/24/1069639724.db2.gz GZEZLDVOVIDPSZ-UHFFFAOYSA-N 0 0 493.326 0.872 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CC(N)=O ZINC000727162535 1069640300 /nfs/dbraw/zinc/64/03/00/1069640300.db2.gz JEARKQNDXOSCTE-UHFFFAOYSA-N 0 0 496.330 0.027 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CC(N)=O ZINC000727162622 1069639620 /nfs/dbraw/zinc/63/96/20/1069639620.db2.gz PBQFGELLASXEGZ-UHFFFAOYSA-N 0 0 496.330 0.029 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CC(N)=O ZINC000727162681 1069639601 /nfs/dbraw/zinc/63/96/01/1069639601.db2.gz RMVGJPOCMAVEEE-UHFFFAOYSA-N 0 0 481.315 0.728 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc(Br)c1OC(F)F ZINC000727162776 1069634869 /nfs/dbraw/zinc/63/48/69/1069634869.db2.gz VYYSOYOQHWMQPX-UHFFFAOYSA-N 0 0 485.266 0.794 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 ZINC000727162954 1069634874 /nfs/dbraw/zinc/63/48/74/1069634874.db2.gz CUYIAAQAMPBIIS-UHFFFAOYSA-N 0 0 472.958 0.727 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C#N ZINC000727163092 1069634862 /nfs/dbraw/zinc/63/48/62/1069634862.db2.gz KRLFGVHONUJQHO-UHFFFAOYSA-N 0 0 453.343 0.248 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 ZINC000727163103 1069634800 /nfs/dbraw/zinc/63/48/00/1069634800.db2.gz LDCZDDLYPULOGV-UHFFFAOYSA-N 0 0 458.931 0.337 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C#N ZINC000727163157 1069635555 /nfs/dbraw/zinc/63/55/55/1069635555.db2.gz NANPYDZJWWJJGA-UHFFFAOYSA-N 0 0 453.343 0.248 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(Cl)nc2)c1=O ZINC000727163176 1069636179 /nfs/dbraw/zinc/63/61/79/1069636179.db2.gz ODEZCUNZPCRKRX-UHFFFAOYSA-N 0 0 456.915 0.043 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(Cl)nc2)CC1 ZINC000727163379 1069635566 /nfs/dbraw/zinc/63/55/66/1069635566.db2.gz YPSMIPPQAKZGCU-UHFFFAOYSA-N 0 0 483.985 0.348 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163491 1069635558 /nfs/dbraw/zinc/63/55/58/1069635558.db2.gz DLPRKACTMJXIDO-UHFFFAOYSA-N 0 0 493.655 0.919 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163504 1069635529 /nfs/dbraw/zinc/63/55/29/1069635529.db2.gz DTJVXUAYOXOCBM-UHFFFAOYSA-N 0 0 493.655 0.919 20 30 JCEDRN Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCNS(C)(=O)=O)c1 ZINC000727163597 1069635604 /nfs/dbraw/zinc/63/56/04/1069635604.db2.gz DVEARMDICVYTCX-UHFFFAOYSA-N 0 0 485.591 0.195 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2csc(Br)c2)sc1=C(C#N)C#N ZINC000727163614 1069635505 /nfs/dbraw/zinc/63/55/05/1069635505.db2.gz FATFCAHKMOQGLT-UHFFFAOYSA-N 0 0 459.372 0.310 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(Cl)nc3)c2=O)cn1 ZINC000727163615 1069635540 /nfs/dbraw/zinc/63/55/40/1069635540.db2.gz CFZXBSJWBKQNKW-UHFFFAOYSA-N 0 0 456.915 0.043 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCNS(C)(=O)=O ZINC000727163678 1069635610 /nfs/dbraw/zinc/63/56/10/1069635610.db2.gz FWBCBBHRTWDWKL-UHFFFAOYSA-N 0 0 499.014 0.150 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCNS(C)(=O)=O ZINC000727163692 1069635495 /nfs/dbraw/zinc/63/54/95/1069635495.db2.gz FYUKBSPPRLLZER-UHFFFAOYSA-N 0 0 497.602 0.644 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163743 1069634930 /nfs/dbraw/zinc/63/49/30/1069634930.db2.gz HQIADADPGQAQLI-AWEZNQCLSA-N 0 0 479.628 0.529 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163747 1069635550 /nfs/dbraw/zinc/63/55/50/1069635550.db2.gz HQIADADPGQAQLI-CQSZACIVSA-N 0 0 479.628 0.529 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163752 1069635576 /nfs/dbraw/zinc/63/55/76/1069635576.db2.gz HRUAATYTZJAUEV-UHFFFAOYSA-N 0 0 465.601 0.139 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163771 1069635516 /nfs/dbraw/zinc/63/55/16/1069635516.db2.gz IBXGHRUFYJTIKC-UHFFFAOYSA-N 0 0 479.628 0.529 20 30 JCEDRN CCCOc1c(Cl)cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1OC ZINC000727163774 1069635580 /nfs/dbraw/zinc/63/55/80/1069635580.db2.gz IHRXARUZAITBIR-UHFFFAOYSA-N 0 0 496.998 0.936 20 30 JCEDRN COc1ccc(Br)cc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O ZINC000727163788 1069635599 /nfs/dbraw/zinc/63/55/99/1069635599.db2.gz INWOJFYQHNEKCU-UHFFFAOYSA-N 0 0 483.369 0.257 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCNS(C)(=O)=O)c1=O ZINC000727163789 1069635592 /nfs/dbraw/zinc/63/55/92/1069635592.db2.gz IOEMQEHXAWBLNQ-UHFFFAOYSA-N 0 0 496.010 0.993 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)nc1 ZINC000727163820 1069635535 /nfs/dbraw/zinc/63/55/35/1069635535.db2.gz AVKSMEZIKQLQNH-UHFFFAOYSA-N 0 0 455.927 0.998 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(Cl)nc1 ZINC000727163873 1069634925 /nfs/dbraw/zinc/63/49/25/1069634925.db2.gz FWLPMFNEQHTTCL-UHFFFAOYSA-N 0 0 498.948 1.000 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000727163960 1069634951 /nfs/dbraw/zinc/63/49/51/1069634951.db2.gz JFKVPWXEWFVQHC-UHFFFAOYSA-N 0 0 499.618 0.796 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C#N ZINC000727164126 1069636265 /nfs/dbraw/zinc/63/62/65/1069636265.db2.gz LEMCGTHWJAVJJN-UHFFFAOYSA-N 0 0 453.343 0.248 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc(C)c1OC(F)F ZINC000727164151 1069636233 /nfs/dbraw/zinc/63/62/33/1069636233.db2.gz MCTCRPXIJGELKQ-UHFFFAOYSA-N 0 0 468.507 0.704 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)ccc1OC(F)F ZINC000727164204 1069636911 /nfs/dbraw/zinc/63/69/11/1069636911.db2.gz NEIZREPRNZEAAA-UHFFFAOYSA-N 0 0 470.479 0.096 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)nc1 ZINC000727164381 1069636281 /nfs/dbraw/zinc/63/62/81/1069636281.db2.gz MOOQIGZGBZFSBS-UHFFFAOYSA-N 0 0 453.911 0.704 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000727164420 1069636272 /nfs/dbraw/zinc/63/62/72/1069636272.db2.gz OJXKZXWIDPIUSJ-UHFFFAOYSA-N 0 0 477.612 0.283 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000727164445 1069636202 /nfs/dbraw/zinc/63/62/02/1069636202.db2.gz OXNAFBIMVPLWBQ-UHFFFAOYSA-N 0 0 499.014 0.149 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(Cl)nc1 ZINC000727164448 1069636249 /nfs/dbraw/zinc/63/62/49/1069636249.db2.gz ODXYQVBQXMBNGY-UHFFFAOYSA-N 0 0 495.992 0.899 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 ZINC000727164482 1069636301 /nfs/dbraw/zinc/63/63/01/1069636301.db2.gz OIDQPKCBZWMVQG-UHFFFAOYSA-N 0 0 472.958 0.727 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 ZINC000727164558 1069636155 /nfs/dbraw/zinc/63/61/55/1069636155.db2.gz PYWROJSAMYCRFW-UHFFFAOYSA-N 0 0 458.931 0.337 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2OC(F)(F)F)sc1=C(C#N)C#N ZINC000727164567 1069636170 /nfs/dbraw/zinc/63/61/70/1069636170.db2.gz QMMSVYWQGRVZAT-UHFFFAOYSA-N 0 0 458.443 0.384 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(Br)s2)sc1=C(C#N)C#N ZINC000727164593 1069636190 /nfs/dbraw/zinc/63/61/90/1069636190.db2.gz RQDLMQODTJPIEW-UHFFFAOYSA-N 0 0 459.372 0.310 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(Cl)nc2)CC1 ZINC000727164676 1069636209 /nfs/dbraw/zinc/63/62/09/1069636209.db2.gz QBAYWSUPKLGKAB-UHFFFAOYSA-N 0 0 483.985 0.348 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727164910 1069636243 /nfs/dbraw/zinc/63/62/43/1069636243.db2.gz SMQMHYHIYONROI-UHFFFAOYSA-N 0 0 479.628 0.529 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000727164926 1069636306 /nfs/dbraw/zinc/63/63/06/1069636306.db2.gz SVAIBAAVQSWUPM-UHFFFAOYSA-N 0 0 491.982 0.232 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCCO3)sc1=C(C#N)C#N ZINC000727164933 1069636193 /nfs/dbraw/zinc/63/61/93/1069636193.db2.gz SYJFLPFSWUTXFN-UHFFFAOYSA-N 0 0 480.955 0.300 20 30 JCEDRN COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O ZINC000727164983 1069636278 /nfs/dbraw/zinc/63/62/78/1069636278.db2.gz UNIQUCMFPWXLKV-UHFFFAOYSA-N 0 0 473.363 0.801 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)nc1 ZINC000727165024 1069636919 /nfs/dbraw/zinc/63/69/19/1069636919.db2.gz YNWCGCQCEOZDFT-UHFFFAOYSA-N 0 0 496.980 0.294 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(OC(F)(F)F)cc2)sc1=C(C#N)C#N ZINC000727165035 1069637670 /nfs/dbraw/zinc/63/76/70/1069637670.db2.gz VKQVEFGTQKGNJO-UHFFFAOYSA-N 0 0 458.443 0.384 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000727165039 1069637603 /nfs/dbraw/zinc/63/76/03/1069637603.db2.gz VMOZATFBBMTBED-UHFFFAOYSA-N 0 0 483.999 0.849 20 30 JCEDRN CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCNS(C)(=O)=O)cc1 ZINC000727165073 1069637680 /nfs/dbraw/zinc/63/76/80/1069637680.db2.gz WCGOLGFDYHBNDP-UHFFFAOYSA-N 0 0 499.618 0.531 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)ccc1SC ZINC000727165100 1069637684 /nfs/dbraw/zinc/63/76/84/1069637684.db2.gz WQOXMCCMLRCTQD-UHFFFAOYSA-N 0 0 450.567 0.216 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(F)c(Br)c2)sc1=C(C#N)C#N ZINC000727165105 1069637617 /nfs/dbraw/zinc/63/76/17/1069637617.db2.gz WSLOSXCPVUHSRF-UHFFFAOYSA-N 0 0 471.333 0.387 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(OCCCC#N)c2)sc1=C(C#N)C#N ZINC000727165202 1069636822 /nfs/dbraw/zinc/63/68/22/1069636822.db2.gz XGAQEYWWVSZXNK-UHFFFAOYSA-N 0 0 457.537 0.168 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(OC3CCCC3)c2)sc1=C(C#N)C#N ZINC000727165302 1069636900 /nfs/dbraw/zinc/63/69/00/1069636900.db2.gz YHCYSKWMOVHZPG-UHFFFAOYSA-N 0 0 458.565 0.807 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(OCC(F)(F)F)cc2)sc1=C(C#N)C#N ZINC000727165316 1069637609 /nfs/dbraw/zinc/63/76/09/1069637609.db2.gz YLCUQRQYBSZPRV-UHFFFAOYSA-N 0 0 472.470 0.427 20 30 JCEDRN COC(=O)c1nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c2noc(C)c21 ZINC000727165511 1069636864 /nfs/dbraw/zinc/63/68/64/1069636864.db2.gz GRRKGRZKHDUJCY-UHFFFAOYSA-N 0 0 472.483 0.315 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1=O ZINC000727167543 1069638447 /nfs/dbraw/zinc/63/84/47/1069638447.db2.gz SXUGEPMATTTYEQ-UHFFFAOYSA-N 0 0 463.897 0.752 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)o1 ZINC000727192703 1069642660 /nfs/dbraw/zinc/64/26/60/1069642660.db2.gz RNWGMPGUTJTGJU-QUCCMNQESA-N 0 0 497.508 0.819 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)OCC(=O)NCc1cccc(C#N)c1)c2=O ZINC000727221049 1069645387 /nfs/dbraw/zinc/64/53/87/1069645387.db2.gz BLJQNPNOAKNLQY-UHFFFAOYSA-N 0 0 459.260 0.624 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)OCC(=O)N(CCC#N)CCC#N)c2=O ZINC000727221228 1069647371 /nfs/dbraw/zinc/64/73/71/1069647371.db2.gz ISOXHJUJHIGMEY-UHFFFAOYSA-N 0 0 450.253 0.092 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727221298 1069646627 /nfs/dbraw/zinc/64/66/27/1069646627.db2.gz LAGIOJTVYKHILT-BMLIUANNSA-N 0 0 453.297 0.879 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727221299 1069646629 /nfs/dbraw/zinc/64/66/29/1069646629.db2.gz LAGIOJTVYKHILT-BTDLBPIBSA-N 0 0 453.297 0.879 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727221300 1069646701 /nfs/dbraw/zinc/64/67/01/1069646701.db2.gz LAGIOJTVYKHILT-DYZYQPBXSA-N 0 0 453.297 0.879 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727221301 1069646657 /nfs/dbraw/zinc/64/66/57/1069646657.db2.gz LAGIOJTVYKHILT-QGHHPUGFSA-N 0 0 453.297 0.879 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)OCC(=O)NCc1ccc(C#N)cc1)c2=O ZINC000727221493 1069646690 /nfs/dbraw/zinc/64/66/90/1069646690.db2.gz SKIKRTCSQOVNRP-UHFFFAOYSA-N 0 0 459.260 0.624 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)OCC(=O)N(CC#N)c1ccccc1)c2=O ZINC000727221700 1069645428 /nfs/dbraw/zinc/64/54/28/1069645428.db2.gz XMTINXJDYNTCSV-UHFFFAOYSA-N 0 0 459.260 0.992 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)OCC(=O)NC1(C#N)CCCCC1)c2=O ZINC000727221733 1069645449 /nfs/dbraw/zinc/64/54/49/1069645449.db2.gz YOYXAKBUTKASRJ-UHFFFAOYSA-N 0 0 451.281 0.778 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000727231393 1069651069 /nfs/dbraw/zinc/65/10/69/1069651069.db2.gz KPOBGGHWNULXTK-CDTGLVORSA-N 0 0 463.560 0.942 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000727231394 1069651033 /nfs/dbraw/zinc/65/10/33/1069651033.db2.gz KPOBGGHWNULXTK-KHJVFXTQSA-N 0 0 463.560 0.942 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 ZINC000727231395 1069651007 /nfs/dbraw/zinc/65/10/07/1069651007.db2.gz KPOBGGHWNULXTK-TZBHCYISSA-N 0 0 463.560 0.942 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 ZINC000727231396 1069651086 /nfs/dbraw/zinc/65/10/86/1069651086.db2.gz KPOBGGHWNULXTK-ZLVLUESYSA-N 0 0 463.560 0.942 20 30 JCEDRN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3\CCCN3C)c1)CC2 ZINC000727231671 1069650395 /nfs/dbraw/zinc/65/03/95/1069650395.db2.gz RRXYYDPHCTXFSQ-OCDBCJEZSA-N 0 0 459.532 0.469 20 30 JCEDRN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3/CCCN3C)c1)CC2 ZINC000727231672 1069650360 /nfs/dbraw/zinc/65/03/60/1069650360.db2.gz RRXYYDPHCTXFSQ-UCXBAENPSA-N 0 0 459.532 0.469 20 30 JCEDRN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3/CCCN3C)c1)CC2 ZINC000727231673 1069650498 /nfs/dbraw/zinc/65/04/98/1069650498.db2.gz RRXYYDPHCTXFSQ-VKEPEHDUSA-N 0 0 459.532 0.469 20 30 JCEDRN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3\CCCN3C)c1)CC2 ZINC000727231674 1069650490 /nfs/dbraw/zinc/65/04/90/1069650490.db2.gz RRXYYDPHCTXFSQ-WZTHKDHVSA-N 0 0 459.532 0.469 20 30 JCEDRN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3\CCCN3C)cc1)CC2 ZINC000727232027 1069650350 /nfs/dbraw/zinc/65/03/50/1069650350.db2.gz VKZUYZFJMPVGHO-OCDBCJEZSA-N 0 0 459.532 0.469 20 30 JCEDRN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3/CCCN3C)cc1)CC2 ZINC000727232029 1069650470 /nfs/dbraw/zinc/65/04/70/1069650470.db2.gz VKZUYZFJMPVGHO-UCXBAENPSA-N 0 0 459.532 0.469 20 30 JCEDRN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3/CCCN3C)cc1)CC2 ZINC000727232031 1069650506 /nfs/dbraw/zinc/65/05/06/1069650506.db2.gz VKZUYZFJMPVGHO-VKEPEHDUSA-N 0 0 459.532 0.469 20 30 JCEDRN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3\CCCN3C)cc1)CC2 ZINC000727232033 1069650291 /nfs/dbraw/zinc/65/02/91/1069650291.db2.gz VKZUYZFJMPVGHO-WZTHKDHVSA-N 0 0 459.532 0.469 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000727232135 1069651059 /nfs/dbraw/zinc/65/10/59/1069651059.db2.gz XUIFESKCRZYZAB-CDTGLVORSA-N 0 0 463.560 0.942 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000727232136 1069651051 /nfs/dbraw/zinc/65/10/51/1069651051.db2.gz XUIFESKCRZYZAB-KHJVFXTQSA-N 0 0 463.560 0.942 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)c1 ZINC000727232137 1069651182 /nfs/dbraw/zinc/65/11/82/1069651182.db2.gz XUIFESKCRZYZAB-TZBHCYISSA-N 0 0 463.560 0.942 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)c1 ZINC000727232138 1069651103 /nfs/dbraw/zinc/65/11/03/1069651103.db2.gz XUIFESKCRZYZAB-ZLVLUESYSA-N 0 0 463.560 0.942 20 30 JCEDRN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727233149 1069651126 /nfs/dbraw/zinc/65/11/26/1069651126.db2.gz HJXCNLFYBQGHGI-LLVKDONJSA-N 0 0 453.297 0.533 20 30 JCEDRN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727233150 1069651017 /nfs/dbraw/zinc/65/10/17/1069651017.db2.gz HJXCNLFYBQGHGI-NSHDSACASA-N 0 0 453.297 0.533 20 30 JCEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 ZINC000727233221 1069651544 /nfs/dbraw/zinc/65/15/44/1069651544.db2.gz JVWYTFZMEFZCJD-CYBMUJFWSA-N 0 0 473.287 0.926 20 30 JCEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 ZINC000727233222 1069651794 /nfs/dbraw/zinc/65/17/94/1069651794.db2.gz JVWYTFZMEFZCJD-ZDUSSCGKSA-N 0 0 473.287 0.926 20 30 JCEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 ZINC000727233453 1069651584 /nfs/dbraw/zinc/65/15/84/1069651584.db2.gz QCOTWNOIVHISJD-AWEZNQCLSA-N 0 0 487.314 0.969 20 30 JCEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 ZINC000727233454 1069651690 /nfs/dbraw/zinc/65/16/90/1069651690.db2.gz QCOTWNOIVHISJD-CQSZACIVSA-N 0 0 487.314 0.969 20 30 JCEDRN CN(CC(=O)NCc1ccco1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000727240211 1069652442 /nfs/dbraw/zinc/65/24/42/1069652442.db2.gz GCSJDNQJOLKNLM-UHFFFAOYSA-N 0 0 459.528 0.232 20 30 JCEDRN Cn1cc(/C=C2/CN(C3CCCCC3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000727266991 1069653918 /nfs/dbraw/zinc/65/39/18/1069653918.db2.gz MCFHICVCDOQSIS-APGQMXJTSA-N 0 0 481.553 0.166 20 30 JCEDRN Cn1cc(/C=C2\CN(C3CCCCC3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000727266992 1069653844 /nfs/dbraw/zinc/65/38/44/1069653844.db2.gz MCFHICVCDOQSIS-OTYYAQKOSA-N 0 0 481.553 0.166 20 30 JCEDRN Cn1cc(/C=C2\CN(C3CCCCC3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000727266993 1069653591 /nfs/dbraw/zinc/65/35/91/1069653591.db2.gz MCFHICVCDOQSIS-VRNBXGKJSA-N 0 0 481.553 0.166 20 30 JCEDRN Cn1nc(Br)c2c1ncn(CC(=O)NC1CCN(c3ccc(C#N)cn3)CC1)c2=O ZINC000727341992 1069655857 /nfs/dbraw/zinc/65/58/57/1069655857.db2.gz GNTJNIJRHHITNT-UHFFFAOYSA-N 0 0 471.319 0.944 20 30 JCEDRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000727407501 1069659344 /nfs/dbraw/zinc/65/93/44/1069659344.db2.gz SPMPYVLDJPPMEU-CYBMUJFWSA-N 0 0 450.542 0.901 20 30 JCEDRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000727407503 1069659287 /nfs/dbraw/zinc/65/92/87/1069659287.db2.gz SPMPYVLDJPPMEU-ZDUSSCGKSA-N 0 0 450.542 0.901 20 30 JCEDRN C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000727408740 1069659307 /nfs/dbraw/zinc/65/93/07/1069659307.db2.gz HTPKJKQUSVZWBP-CYBMUJFWSA-N 0 0 450.542 0.853 20 30 JCEDRN C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000727408741 1069659440 /nfs/dbraw/zinc/65/94/40/1069659440.db2.gz HTPKJKQUSVZWBP-ZDUSSCGKSA-N 0 0 450.542 0.853 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 ZINC000727414736 1069657433 /nfs/dbraw/zinc/65/74/33/1069657433.db2.gz ADYJIXHYVYOJIG-UHFFFAOYSA-N 0 0 479.514 0.950 20 30 JCEDRN N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 ZINC000727414776 1069657403 /nfs/dbraw/zinc/65/74/03/1069657403.db2.gz BLEZCNRASBRRQB-UHFFFAOYSA-N 0 0 450.520 0.977 20 30 JCEDRN Cc1ccccc1-n1c(=O)c(=Cc2ccoc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000727414955 1069657473 /nfs/dbraw/zinc/65/74/73/1069657473.db2.gz FUMWSNUJVRPQJW-UHFFFAOYSA-N 0 0 464.547 0.752 20 30 JCEDRN Cc1cccc(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000727415384 1069657374 /nfs/dbraw/zinc/65/73/74/1069657374.db2.gz NEBNTJHTZZKSOU-UHFFFAOYSA-N 0 0 464.547 0.752 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F ZINC000727415523 1069657445 /nfs/dbraw/zinc/65/74/45/1069657445.db2.gz TXBSFJRUHNZOCQ-UHFFFAOYSA-N 0 0 486.500 0.722 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000727416046 1069657395 /nfs/dbraw/zinc/65/73/95/1069657395.db2.gz DYAMGRJKBLFYLU-UHFFFAOYSA-N 0 0 453.476 0.529 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000727416123 1069657314 /nfs/dbraw/zinc/65/73/14/1069657314.db2.gz GFLSKMPAPZSNOP-UHFFFAOYSA-N 0 0 494.573 0.842 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000727416140 1069657389 /nfs/dbraw/zinc/65/73/89/1069657389.db2.gz GXSWYLQPIJEFGX-UHFFFAOYSA-N 0 0 465.487 0.625 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000727416178 1069657409 /nfs/dbraw/zinc/65/74/09/1069657409.db2.gz IUJCQIRMUADSAJ-UHFFFAOYSA-N 0 0 467.503 0.919 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1 ZINC000727416253 1069657415 /nfs/dbraw/zinc/65/74/15/1069657415.db2.gz KJIDWDFGXVBTJY-UHFFFAOYSA-N 0 0 468.510 0.583 20 30 JCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1F ZINC000727416326 1069658055 /nfs/dbraw/zinc/65/80/55/1069658055.db2.gz KVZJFRQQNADJPJ-UHFFFAOYSA-N 0 0 482.537 0.891 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2-c2ccc3c(c2)OCCO3)CC1 ZINC000727416355 1069658007 /nfs/dbraw/zinc/65/80/07/1069658007.db2.gz MFFFRFWCVKLPDB-UHFFFAOYSA-N 0 0 492.557 0.930 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1 ZINC000727416669 1069658226 /nfs/dbraw/zinc/65/82/26/1069658226.db2.gz WYJACSQMHJGFCE-UHFFFAOYSA-N 0 0 450.520 0.443 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccccc1 ZINC000727416673 1069658082 /nfs/dbraw/zinc/65/80/82/1069658082.db2.gz XDWPQFVPWPIKJQ-UHFFFAOYSA-N 0 0 464.547 0.503 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2ccoc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000727416692 1069658215 /nfs/dbraw/zinc/65/82/15/1069658215.db2.gz XXMXBTQVBWVWLQ-UHFFFAOYSA-N 0 0 462.597 0.207 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000727416941 1069658150 /nfs/dbraw/zinc/65/81/50/1069658150.db2.gz AJKWEPDKEHIPIX-UHFFFAOYSA-N 0 0 484.559 0.324 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000727417007 1069658030 /nfs/dbraw/zinc/65/80/30/1069658030.db2.gz BVVSVNZOGCDHQR-UHFFFAOYSA-N 0 0 457.533 0.927 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)nc1 ZINC000727417012 1069658204 /nfs/dbraw/zinc/65/82/04/1069658204.db2.gz BYQRGBQRBUQAHZ-UHFFFAOYSA-N 0 0 454.508 0.941 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2-c2ccc(OC)nc2)CC1 ZINC000727417014 1069658161 /nfs/dbraw/zinc/65/81/61/1069658161.db2.gz CAOQGHWDBFJVQR-UHFFFAOYSA-N 0 0 465.535 0.563 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000727417016 1069658136 /nfs/dbraw/zinc/65/81/36/1069658136.db2.gz CARRZWGQBODBFJ-UHFFFAOYSA-N 0 0 472.548 0.228 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000727417053 1069657463 /nfs/dbraw/zinc/65/74/63/1069657463.db2.gz CVPBGSXPGUBWPL-UHFFFAOYSA-N 0 0 470.532 0.004 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000727417106 1069658038 /nfs/dbraw/zinc/65/80/38/1069658038.db2.gz DTPUCHACHLSNBG-UHFFFAOYSA-N 0 0 474.542 0.425 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000727417227 1069657356 /nfs/dbraw/zinc/65/73/56/1069657356.db2.gz ADVAOSNESNIEGA-UHFFFAOYSA-N 0 0 452.492 0.716 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2-c2ccc(C(N)=O)cc2)CC1 ZINC000727417232 1069657420 /nfs/dbraw/zinc/65/74/20/1069657420.db2.gz AHTNHIWIGFUEQP-UHFFFAOYSA-N 0 0 477.546 0.258 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 ZINC000727417243 1069657455 /nfs/dbraw/zinc/65/74/55/1069657455.db2.gz AMCLRAQAPISZAC-UHFFFAOYSA-N 0 0 490.585 0.932 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000727417356 1069658721 /nfs/dbraw/zinc/65/87/21/1069658721.db2.gz CICTYDZZRUBOLO-UHFFFAOYSA-N 0 0 466.519 0.637 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000727417360 1069658829 /nfs/dbraw/zinc/65/88/29/1069658829.db2.gz CIDVGKFIRKLOBJ-UHFFFAOYSA-N 0 0 482.537 0.891 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000727417514 1069658927 /nfs/dbraw/zinc/65/89/27/1069658927.db2.gz MRDQQLZGWVLFOZ-UHFFFAOYSA-N 0 0 486.575 0.474 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000727417564 1069658730 /nfs/dbraw/zinc/65/87/30/1069658730.db2.gz NEUIBQJGSQIETE-UHFFFAOYSA-N 0 0 472.548 0.226 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000727417697 1069658709 /nfs/dbraw/zinc/65/87/09/1069658709.db2.gz POBDWMOQCAIUNO-UHFFFAOYSA-N 0 0 486.575 0.618 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000727417860 1069658188 /nfs/dbraw/zinc/65/81/88/1069658188.db2.gz QRFCPAPYMRLABF-UHFFFAOYSA-N 0 0 498.586 0.760 20 30 JCEDRN COc1ccc(OC)c(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000727417889 1069658197 /nfs/dbraw/zinc/65/81/97/1069658197.db2.gz KXAIXLKJLXHYOT-UHFFFAOYSA-N 0 0 467.503 0.871 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 ZINC000727417947 1069658109 /nfs/dbraw/zinc/65/81/09/1069658109.db2.gz LXAANZYFYIMPIT-UHFFFAOYSA-N 0 0 479.562 0.092 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N ZINC000727418001 1069658124 /nfs/dbraw/zinc/65/81/24/1069658124.db2.gz NDEYPRNQCZRERY-UHFFFAOYSA-N 0 0 475.530 0.315 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1F ZINC000727418138 1069658208 /nfs/dbraw/zinc/65/82/08/1069658208.db2.gz WDCCXMUEXYWEEO-UHFFFAOYSA-N 0 0 498.536 0.591 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000727418162 1069658065 /nfs/dbraw/zinc/65/80/65/1069658065.db2.gz WNBCTCOIAZPTAC-UHFFFAOYSA-N 0 0 452.492 0.247 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(OC)ccc1OC ZINC000727418528 1069661066 /nfs/dbraw/zinc/66/10/66/1069661066.db2.gz RZCLLQBKFDIEJM-UHFFFAOYSA-N 0 0 455.492 0.775 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000727418548 1069661075 /nfs/dbraw/zinc/66/10/75/1069661075.db2.gz SKPOUILAPOUBSF-UHFFFAOYSA-N 0 0 464.503 0.812 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3ccoc3)sc2=C(C#N)C(=O)N2CCN(CC)CC2)cn1 ZINC000727418569 1069661006 /nfs/dbraw/zinc/66/10/06/1069661006.db2.gz TVIFAUPXQZZXBO-UHFFFAOYSA-N 0 0 452.540 0.376 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2CCc2ccccn2)CC1 ZINC000727418728 1069660965 /nfs/dbraw/zinc/66/09/65/1069660965.db2.gz WQQIHNQHQHQIJW-UHFFFAOYSA-N 0 0 463.563 0.808 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1=O ZINC000727425260 1069662514 /nfs/dbraw/zinc/66/25/14/1069662514.db2.gz WCDDCLFBZWLSHL-INIZCTEOSA-N 0 0 495.536 0.816 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1=O ZINC000727425261 1069662452 /nfs/dbraw/zinc/66/24/52/1069662452.db2.gz WCDDCLFBZWLSHL-MRXNPFEDSA-N 0 0 495.536 0.816 20 30 JCEDRN C=CCNC(=O)Cn1c(=O)c(=Cc2ccc(N3CCOCC3)c(F)c2)sc1=CC(=O)C1CC1 ZINC000727462939 1069662983 /nfs/dbraw/zinc/66/29/83/1069662983.db2.gz AHUMBKXFJUGYNO-UHFFFAOYSA-N 0 0 471.554 0.776 20 30 JCEDRN O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc([C@H]2CCCO2)o1 ZINC000727503061 1069663691 /nfs/dbraw/zinc/66/36/91/1069663691.db2.gz LFGDALHQZQVNJQ-CYBMUJFWSA-N 0 0 463.472 0.922 20 30 JCEDRN O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc([C@@H]2CCCO2)o1 ZINC000727503062 1069663568 /nfs/dbraw/zinc/66/35/68/1069663568.db2.gz LFGDALHQZQVNJQ-ZDUSSCGKSA-N 0 0 463.472 0.922 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000727521143 1069664943 /nfs/dbraw/zinc/66/49/43/1069664943.db2.gz XFJNBITXMZCGHO-UHFFFAOYSA-N 0 0 480.506 0.829 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CN3)CC1 ZINC000727527754 1069665525 /nfs/dbraw/zinc/66/55/25/1069665525.db2.gz OCDWXZOUHUXGNZ-UHFFFAOYSA-N 0 0 483.506 0.612 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC000727539593 1069669285 /nfs/dbraw/zinc/66/92/85/1069669285.db2.gz SSIMUYWSMUYBKO-UHFFFAOYSA-N 0 0 486.506 0.070 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)CC2)o1 ZINC000727547743 1069670562 /nfs/dbraw/zinc/67/05/62/1069670562.db2.gz OYUAPQQGYHGGBY-IBGZPJMESA-N 0 0 454.487 0.896 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](NC(=O)c3ccccn3)C(C)C)CC2)o1 ZINC000727547747 1069670478 /nfs/dbraw/zinc/67/04/78/1069670478.db2.gz OYUAPQQGYHGGBY-LJQANCHMSA-N 0 0 454.487 0.896 20 30 JCEDRN Cn1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C(F)F ZINC000727566076 1069671770 /nfs/dbraw/zinc/67/17/70/1069671770.db2.gz KOLIILGEBUDLNW-UHFFFAOYSA-N 0 0 467.454 0.919 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000727623426 1069673926 /nfs/dbraw/zinc/67/39/26/1069673926.db2.gz HUCOWMWLVJXLRL-UHFFFAOYSA-N 0 0 482.566 0.878 20 30 JCEDRN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000727624490 1069673983 /nfs/dbraw/zinc/67/39/83/1069673983.db2.gz WHKCAHMHWWWLGY-UHFFFAOYSA-N 0 0 472.527 0.859 20 30 JCEDRN Cn1cc(C(=O)NCC2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 ZINC000727645746 1069674550 /nfs/dbraw/zinc/67/45/50/1069674550.db2.gz BXXOXNKBHRUIFH-UHFFFAOYSA-N 0 0 472.571 0.907 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000727670538 1069678508 /nfs/dbraw/zinc/67/85/08/1069678508.db2.gz ANPACGADOZAYOD-UHFFFAOYSA-N 0 0 467.503 0.948 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1 ZINC000727670701 1069678413 /nfs/dbraw/zinc/67/84/13/1069678413.db2.gz FSWCEJPNTLUTOA-UHFFFAOYSA-N 0 0 457.508 0.830 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000727670755 1069678402 /nfs/dbraw/zinc/67/84/02/1069678402.db2.gz HZJVTKSWFQHZQD-UHFFFAOYSA-N 0 0 477.564 0.630 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000727671030 1069678467 /nfs/dbraw/zinc/67/84/67/1069678467.db2.gz NJGMPGVBVVQTQN-UHFFFAOYSA-N 0 0 491.591 0.972 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000727671041 1069678376 /nfs/dbraw/zinc/67/83/76/1069678376.db2.gz NTKROCSMUHLLLU-UHFFFAOYSA-N 0 0 452.496 0.698 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000727671099 1069678370 /nfs/dbraw/zinc/67/83/70/1069678370.db2.gz OQHGTJIFTAIEOZ-UHFFFAOYSA-N 0 0 468.535 0.912 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000727671142 1069678494 /nfs/dbraw/zinc/67/84/94/1069678494.db2.gz QJQRPCCOXDCXAD-UHFFFAOYSA-N 0 0 463.537 0.369 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 ZINC000727742779 1069679108 /nfs/dbraw/zinc/67/91/08/1069679108.db2.gz HJXCTRSCPPFPBC-UHFFFAOYSA-N 0 0 476.580 0.469 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000727743163 1069681168 /nfs/dbraw/zinc/68/11/68/1069681168.db2.gz OYVVEMAXAHWIQT-UHFFFAOYSA-N 0 0 491.595 0.372 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 ZINC000727743454 1069680498 /nfs/dbraw/zinc/68/04/98/1069680498.db2.gz ZZXLVWNKABITSX-UHFFFAOYSA-N 0 0 476.580 0.469 20 30 JCEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000727753322 1069683494 /nfs/dbraw/zinc/68/34/94/1069683494.db2.gz FVIOUZXMKCEZBN-UHFFFAOYSA-N 0 0 457.578 0.141 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 ZINC000727767060 1069681339 /nfs/dbraw/zinc/68/13/39/1069681339.db2.gz NDIRRIVQQFLYIB-GOSISDBHSA-N 0 0 461.525 0.121 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 ZINC000727767061 1069681411 /nfs/dbraw/zinc/68/14/11/1069681411.db2.gz NDIRRIVQQFLYIB-SFHVURJKSA-N 0 0 461.525 0.121 20 30 JCEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000727772857 1069687632 /nfs/dbraw/zinc/68/76/32/1069687632.db2.gz LGEPUVSMNQOPDN-UHFFFAOYSA-N 0 0 469.546 0.441 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)OCCN3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)cc2C1=O ZINC000727772946 1069687376 /nfs/dbraw/zinc/68/73/76/1069687376.db2.gz MTDVRWMFAXAFJK-UHFFFAOYSA-N 0 0 479.493 0.177 20 30 JCEDRN Cn1nc(C(=O)N2CCN(CCOC(=O)CSCc3ccc(C#N)cc3)CC2)ccc1=O ZINC000727773568 1069686031 /nfs/dbraw/zinc/68/60/31/1069686031.db2.gz SSZBSCSGFIHQDG-UHFFFAOYSA-N 0 0 455.540 0.886 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000727773812 1069688142 /nfs/dbraw/zinc/68/81/42/1069688142.db2.gz ZLGYSMNCDMSOBD-UHFFFAOYSA-N 0 0 468.514 0.303 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000727804917 1069689137 /nfs/dbraw/zinc/68/91/37/1069689137.db2.gz TWOMMANMAJGFMH-UHFFFAOYSA-N 0 0 485.566 0.816 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 ZINC000727806042 1069689007 /nfs/dbraw/zinc/68/90/07/1069689007.db2.gz GUORDYGIHONCJF-UHFFFAOYSA-N 0 0 470.551 0.912 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1 ZINC000727806787 1069689168 /nfs/dbraw/zinc/68/91/68/1069689168.db2.gz ZRJWJMCVWPOMRV-UHFFFAOYSA-N 0 0 470.551 0.912 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCN2CCOCC2)c1C ZINC000727813438 1069689911 /nfs/dbraw/zinc/68/99/11/1069689911.db2.gz HDYQDQZQHFETMO-UHFFFAOYSA-N 0 0 477.590 0.978 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCNS(C)(=O)=O)c1C ZINC000727813524 1069690002 /nfs/dbraw/zinc/69/00/02/1069690002.db2.gz LVLWDZLMRKGIGZ-UHFFFAOYSA-N 0 0 485.591 0.195 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 ZINC000727813613 1069690058 /nfs/dbraw/zinc/69/00/58/1069690058.db2.gz AAJRZJAALDYXKP-UHFFFAOYSA-N 0 0 479.562 0.092 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 ZINC000727813625 1069689863 /nfs/dbraw/zinc/68/98/63/1069689863.db2.gz APEFBYSGCCXNMA-UHFFFAOYSA-N 0 0 480.594 0.554 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCc1cccnc1 ZINC000727813634 1069689940 /nfs/dbraw/zinc/68/99/40/1069689940.db2.gz AYQLFZGCPDIGEM-UHFFFAOYSA-N 0 0 483.557 0.933 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)s1 ZINC000727813654 1069689969 /nfs/dbraw/zinc/68/99/69/1069689969.db2.gz BVZNMZDUEGVGMY-UHFFFAOYSA-N 0 0 467.576 0.674 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCc1cccnc1 ZINC000727813691 1069690573 /nfs/dbraw/zinc/69/05/73/1069690573.db2.gz DVTDMAIWZOVUHJ-UHFFFAOYSA-N 0 0 483.557 0.910 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCc3cccnc3)c2=O)cn1 ZINC000727813700 1069690642 /nfs/dbraw/zinc/69/06/42/1069690642.db2.gz FQMDRRJFKNXTEB-UHFFFAOYSA-N 0 0 460.519 0.693 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2cccnc2)c1=O ZINC000727813761 1069690529 /nfs/dbraw/zinc/69/05/29/1069690529.db2.gz GLOLJWPPCGKCSE-UHFFFAOYSA-N 0 0 478.578 0.260 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCc2cccnc2)c1=O ZINC000727813881 1069690492 /nfs/dbraw/zinc/69/04/92/1069690492.db2.gz GZKBKGGRIAXPGC-UHFFFAOYSA-N 0 0 450.568 0.926 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 ZINC000727814064 1069690662 /nfs/dbraw/zinc/69/06/62/1069690662.db2.gz IUMJJPNGGRPDOK-UHFFFAOYSA-N 0 0 494.621 0.944 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 ZINC000727814189 1069690013 /nfs/dbraw/zinc/69/00/13/1069690013.db2.gz NWKQLRUBGSEZRD-UHFFFAOYSA-N 0 0 466.567 0.327 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)cn1 ZINC000727814213 1069690048 /nfs/dbraw/zinc/69/00/48/1069690048.db2.gz OLCUQUGJCAYLHB-UHFFFAOYSA-N 0 0 492.605 0.861 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 ZINC000727814217 1069689994 /nfs/dbraw/zinc/68/99/94/1069689994.db2.gz OOJFQVFMQWXJGG-UHFFFAOYSA-N 0 0 466.567 0.164 20 30 JCEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 ZINC000727814270 1069690022 /nfs/dbraw/zinc/69/00/22/1069690022.db2.gz DFSUCQHTPDKSLP-UHFFFAOYSA-N 0 0 484.603 0.758 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccs3)c2=O)cn1 ZINC000727814291 1069690654 /nfs/dbraw/zinc/69/06/54/1069690654.db2.gz FHHBBAUHDNYONY-UHFFFAOYSA-N 0 0 455.565 0.309 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 ZINC000727814315 1069689921 /nfs/dbraw/zinc/68/99/21/1069689921.db2.gz QFMVZZRAOKUMRY-UHFFFAOYSA-N 0 0 450.568 0.927 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCc1cccnc1 ZINC000727814334 1069689869 /nfs/dbraw/zinc/68/98/69/1069689869.db2.gz QSEQCJOQGSSWHK-UHFFFAOYSA-N 0 0 480.594 0.765 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCc1cccnc1 ZINC000727814412 1069689959 /nfs/dbraw/zinc/68/99/59/1069689959.db2.gz SKOPQMPHXKWYNU-UHFFFAOYSA-N 0 0 469.592 0.968 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2CCc2cccnc2)CC1 ZINC000727814419 1069689884 /nfs/dbraw/zinc/68/98/84/1069689884.db2.gz SMMAOTUDIIOISW-UHFFFAOYSA-N 0 0 463.563 0.808 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCc1cccnc1 ZINC000727814553 1069689950 /nfs/dbraw/zinc/68/99/50/1069689950.db2.gz VLISBYOFPQSQTE-UHFFFAOYSA-N 0 0 455.565 0.578 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCc2cccs2)CC1 ZINC000727814601 1069689874 /nfs/dbraw/zinc/68/98/74/1069689874.db2.gz JHUFTXOEFPDXTB-UHFFFAOYSA-N 0 0 482.635 0.615 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 ZINC000727814665 1069689984 /nfs/dbraw/zinc/68/99/84/1069689984.db2.gz VPVRUFMXDZAXIO-UHFFFAOYSA-N 0 0 480.594 0.715 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2CCc2cccnc2)CC1 ZINC000727814684 1069690558 /nfs/dbraw/zinc/69/05/58/1069690558.db2.gz WFECDLNDDPXMPJ-UHFFFAOYSA-N 0 0 494.646 0.980 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCc3cccnc3)c2=O)cn1 ZINC000727814772 1069690481 /nfs/dbraw/zinc/69/04/81/1069690481.db2.gz YZMYTDKUAQAUQB-UHFFFAOYSA-N 0 0 457.519 0.818 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 ZINC000727815042 1069690546 /nfs/dbraw/zinc/69/05/46/1069690546.db2.gz UDSXTZVOYZKEJY-AWEZNQCLSA-N 0 0 457.581 0.602 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 ZINC000727815043 1069690637 /nfs/dbraw/zinc/69/06/37/1069690637.db2.gz UDSXTZVOYZKEJY-CQSZACIVSA-N 0 0 457.581 0.602 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 ZINC000727815062 1069690624 /nfs/dbraw/zinc/69/06/24/1069690624.db2.gz VAPDQLSLEUTJKA-UHFFFAOYSA-N 0 0 471.608 0.993 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2cccs2)c1=O ZINC000727815081 1069690582 /nfs/dbraw/zinc/69/05/82/1069690582.db2.gz WDFWDJRWRROXNF-UHFFFAOYSA-N 0 0 483.619 0.926 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccs1 ZINC000727815103 1069690464 /nfs/dbraw/zinc/69/04/64/1069690464.db2.gz WYBFDYLKHBGBDC-UHFFFAOYSA-N 0 0 471.608 0.830 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 ZINC000727815154 1069690672 /nfs/dbraw/zinc/69/06/72/1069690672.db2.gz ZERIOMLDMZTICA-UHFFFAOYSA-N 0 0 457.581 0.603 20 30 JCEDRN N#CCOc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000727842445 1069692743 /nfs/dbraw/zinc/69/27/43/1069692743.db2.gz WXOGUILVKQWYGG-UHFFFAOYSA-N 0 0 458.544 0.935 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 ZINC000727844974 1069696018 /nfs/dbraw/zinc/69/60/18/1069696018.db2.gz XQMVIRRPMMMWFU-CALCHBBNSA-N 0 0 451.549 0.770 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C[C@@H](C)O1 ZINC000727844975 1069695855 /nfs/dbraw/zinc/69/58/55/1069695855.db2.gz XQMVIRRPMMMWFU-IAGOWNOFSA-N 0 0 451.549 0.770 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 ZINC000727844976 1069695895 /nfs/dbraw/zinc/69/58/95/1069695895.db2.gz XQMVIRRPMMMWFU-IRXDYDNUSA-N 0 0 451.549 0.770 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC000727875082 1069695988 /nfs/dbraw/zinc/69/59/88/1069695988.db2.gz OCKJISNWVUAHAW-UHFFFAOYSA-N 0 0 484.538 0.638 20 30 JCEDRN CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC(C)(C)C ZINC000727892421 1069697760 /nfs/dbraw/zinc/69/77/60/1069697760.db2.gz IDYPYVOVLLWVQM-UHFFFAOYSA-N 0 0 480.543 0.801 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3nc(-c4ncccn4)no3)CC2)o1 ZINC000727902636 1069698589 /nfs/dbraw/zinc/69/85/89/1069698589.db2.gz MUHIGRCWDBNKKT-UHFFFAOYSA-N 0 0 452.431 0.519 20 30 JCEDRN Cc1ccn2ncc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2n1 ZINC000727929077 1069700756 /nfs/dbraw/zinc/70/07/56/1069700756.db2.gz KEEUOSVZRZZAAV-UHFFFAOYSA-N 0 0 468.495 0.599 20 30 JCEDRN N#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000727942078 1069703243 /nfs/dbraw/zinc/70/32/43/1069703243.db2.gz UCBLCVPNCMETDC-UHFFFAOYSA-N 0 0 493.567 0.452 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)cc2)CC1 ZINC000727946954 1069704173 /nfs/dbraw/zinc/70/41/73/1069704173.db2.gz ACTYQQQTZYBPGP-UHFFFAOYSA-N 0 0 471.539 0.780 20 30 JCEDRN N#CCOc1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000727947207 1069704267 /nfs/dbraw/zinc/70/42/67/1069704267.db2.gz FWTYSGQYKSJCJY-NRFANRHFSA-N 0 0 464.478 0.858 20 30 JCEDRN N#CCOc1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000727947210 1069704186 /nfs/dbraw/zinc/70/41/86/1069704186.db2.gz FWTYSGQYKSJCJY-OAQYLSRUSA-N 0 0 464.478 0.858 20 30 JCEDRN N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 ZINC000727947252 1069704161 /nfs/dbraw/zinc/70/41/61/1069704161.db2.gz AYQFMILCPSYRDR-UHFFFAOYSA-N 0 0 465.510 0.906 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)c2)CC1 ZINC000727947452 1069703261 /nfs/dbraw/zinc/70/32/61/1069703261.db2.gz LKBUPQKAYMRRAP-UHFFFAOYSA-N 0 0 471.539 0.780 20 30 JCEDRN N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000727949120 1069704131 /nfs/dbraw/zinc/70/41/31/1069704131.db2.gz GJYWNVYHKWRSGB-UHFFFAOYSA-N 0 0 458.496 0.865 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1ccc(OCC#N)cc1 ZINC000727949401 1069704199 /nfs/dbraw/zinc/70/41/99/1069704199.db2.gz RBWVJVIHKXGWQG-UHFFFAOYSA-N 0 0 488.522 0.873 20 30 JCEDRN COc1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000727949585 1069704117 /nfs/dbraw/zinc/70/41/17/1069704117.db2.gz WHTSXKVTOFKUNA-UHFFFAOYSA-N 0 0 488.522 0.873 20 30 JCEDRN N#CCOc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000727949595 1069704281 /nfs/dbraw/zinc/70/42/81/1069704281.db2.gz WTRYRVPEAAWMPM-UHFFFAOYSA-N 0 0 458.496 0.865 20 30 JCEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000727950286 1069704797 /nfs/dbraw/zinc/70/47/97/1069704797.db2.gz JPNODDQRRQNYHD-UHFFFAOYSA-N 0 0 457.512 0.784 20 30 JCEDRN COc1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(OC)c1OCC(N)=O ZINC000727971639 1069705291 /nfs/dbraw/zinc/70/52/91/1069705291.db2.gz DTMGBKLXYSXNOM-UHFFFAOYSA-N 0 0 491.570 0.950 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc([N-][NH+]=Cc3c(Cl)nc(N)nc3N3CCOCC3)cc2)CC1 ZINC000727971757 1069705549 /nfs/dbraw/zinc/70/55/49/1069705549.db2.gz HMPANMIAYWZPCO-UHFFFAOYSA-N 0 0 495.009 0.931 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000728038927 1069708998 /nfs/dbraw/zinc/70/89/98/1069708998.db2.gz BEMBRRIQCBSJGQ-UHFFFAOYSA-N 0 0 450.442 0.221 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000728038939 1069709065 /nfs/dbraw/zinc/70/90/65/1069709065.db2.gz BOPIABYXUPCZDE-LLVKDONJSA-N 0 0 455.458 0.628 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000728038940 1069708849 /nfs/dbraw/zinc/70/88/49/1069708849.db2.gz BOPIABYXUPCZDE-NSHDSACASA-N 0 0 455.458 0.628 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000728039076 1069708908 /nfs/dbraw/zinc/70/89/08/1069708908.db2.gz FZELOWBTSKKCDK-UHFFFAOYSA-N 0 0 480.468 0.702 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)c(F)c(F)c3)c(=O)n2CCOC)CC1 ZINC000728039452 1069708873 /nfs/dbraw/zinc/70/88/73/1069708873.db2.gz KPPVFSLBBIAZAS-UHFFFAOYSA-N 0 0 480.512 0.641 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCOC ZINC000728039799 1069708810 /nfs/dbraw/zinc/70/88/10/1069708810.db2.gz RFIGRIANQFEJMQ-UHFFFAOYSA-N 0 0 455.458 0.629 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CCOC ZINC000728039833 1069708782 /nfs/dbraw/zinc/70/87/82/1069708782.db2.gz SDMADQAZNHFPJN-UHFFFAOYSA-N 0 0 471.457 0.720 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(OC(F)(F)F)c2)sc1=C(C#N)C#N ZINC000728039958 1069708825 /nfs/dbraw/zinc/70/88/25/1069708825.db2.gz VRRKVFAHDBLADR-UHFFFAOYSA-N 0 0 458.443 0.384 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000728040048 1069709044 /nfs/dbraw/zinc/70/90/44/1069709044.db2.gz YZPCCTXTLNZMNC-UHFFFAOYSA-N 0 0 453.442 0.335 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(OC(F)(F)F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000728040058 1069708899 /nfs/dbraw/zinc/70/88/99/1069708899.db2.gz ZOFKLNXLEYOREH-UHFFFAOYSA-N 0 0 483.468 0.817 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000728072819 1069714707 /nfs/dbraw/zinc/71/47/07/1069714707.db2.gz JLGNDVUEBRYXHC-UHFFFAOYSA-N 0 0 467.511 0.841 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)c3[nH]nc4ccccc43)CC2)o1 ZINC000728101219 1069713881 /nfs/dbraw/zinc/71/38/81/1069713881.db2.gz USHFJJIULZDMJS-UHFFFAOYSA-N 0 0 465.470 0.743 20 30 JCEDRN CCCCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000728104552 1069716342 /nfs/dbraw/zinc/71/63/42/1069716342.db2.gz XZOFJZDTHJFWFN-UHFFFAOYSA-N 0 0 485.584 0.539 20 30 JCEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000728140917 1069720136 /nfs/dbraw/zinc/72/01/36/1069720136.db2.gz ZSMMZUPDOASFHF-UHFFFAOYSA-N 0 0 459.475 0.829 20 30 JCEDRN CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000728142652 1069689352 /nfs/dbraw/zinc/68/93/52/1069689352.db2.gz GWUYXMANKJORMU-FXBPSFAMSA-N 0 0 472.589 0.721 20 30 JCEDRN CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000728142654 1069720730 /nfs/dbraw/zinc/72/07/30/1069720730.db2.gz GWUYXMANKJORMU-HEHNFIMWSA-N 0 0 472.589 0.721 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)c1 ZINC000728144464 1069722267 /nfs/dbraw/zinc/72/22/67/1069722267.db2.gz AXZHURRDWMRZQG-JLPGSUDCSA-N 0 0 451.549 0.859 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)c1 ZINC000728144465 1069722086 /nfs/dbraw/zinc/72/20/86/1069722086.db2.gz AXZHURRDWMRZQG-LFVJCYFKSA-N 0 0 451.549 0.859 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc1 ZINC000728144917 1069722219 /nfs/dbraw/zinc/72/22/19/1069722219.db2.gz KYNHDQUVGLLQPK-JLPGSUDCSA-N 0 0 451.549 0.859 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc1 ZINC000728144918 1069722275 /nfs/dbraw/zinc/72/22/75/1069722275.db2.gz KYNHDQUVGLLQPK-LFVJCYFKSA-N 0 0 451.549 0.859 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000728150324 1069724752 /nfs/dbraw/zinc/72/47/52/1069724752.db2.gz OHPRVOSJEACWMK-UHFFFAOYSA-N 0 0 465.539 0.532 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000728150352 1069724819 /nfs/dbraw/zinc/72/48/19/1069724819.db2.gz QNPFSYMGFZXDJF-UHFFFAOYSA-N 0 0 466.527 0.045 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000728150515 1069724120 /nfs/dbraw/zinc/72/41/20/1069724120.db2.gz WFUGLCMSAYNZKF-UHFFFAOYSA-N 0 0 465.539 0.532 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000728153174 1069725207 /nfs/dbraw/zinc/72/52/07/1069725207.db2.gz NFXLYAUIVIHMOD-UHFFFAOYSA-N 0 0 480.554 0.435 20 30 JCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000728188803 1067653317 /nfs/dbraw/zinc/65/33/17/1067653317.db2.gz OYPKIGMTQQTTCZ-MOPGFXCFSA-N 0 0 466.585 0.188 20 30 JCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000728188804 1067653234 /nfs/dbraw/zinc/65/32/34/1067653234.db2.gz OYPKIGMTQQTTCZ-OALUTQOASA-N 0 0 466.585 0.188 20 30 JCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000728188805 1067653315 /nfs/dbraw/zinc/65/33/15/1067653315.db2.gz OYPKIGMTQQTTCZ-RBUKOAKNSA-N 0 0 466.585 0.188 20 30 JCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000728188806 1067653255 /nfs/dbraw/zinc/65/32/55/1067653255.db2.gz OYPKIGMTQQTTCZ-RTBURBONSA-N 0 0 466.585 0.188 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)cc1 ZINC000728219614 1067692860 /nfs/dbraw/zinc/69/28/60/1067692860.db2.gz MCCUFXZNYZKLSF-DEOSSOPVSA-N 0 0 493.545 0.785 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)cc1 ZINC000728219615 1067692753 /nfs/dbraw/zinc/69/27/53/1067692753.db2.gz MCCUFXZNYZKLSF-XMMPIXPASA-N 0 0 493.545 0.785 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000728219938 1067692878 /nfs/dbraw/zinc/69/28/78/1067692878.db2.gz SWIPZQNBFRXQDL-UHFFFAOYSA-N 0 0 487.563 0.472 20 30 JCEDRN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 ZINC000728248946 1067719874 /nfs/dbraw/zinc/71/98/74/1067719874.db2.gz CVTCQGHIJQRSEO-UHFFFAOYSA-N 0 0 491.595 0.690 20 30 JCEDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000728255008 1067724295 /nfs/dbraw/zinc/72/42/95/1067724295.db2.gz RVBMPYVMKICGML-UHFFFAOYSA-N 0 0 484.582 0.574 20 30 JCEDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000728280841 1067743929 /nfs/dbraw/zinc/74/39/29/1067743929.db2.gz VIHFYRXKPWDRCF-UHFFFAOYSA-N 0 0 498.609 0.964 20 30 JCEDRN CC1CCC(NC(=O)CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000728281311 1067744423 /nfs/dbraw/zinc/74/44/23/1067744423.db2.gz GVZWWJCDYCTLLH-UHFFFAOYSA-N 0 0 475.615 0.954 20 30 JCEDRN CC1CCC(NC(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000728281629 1067744274 /nfs/dbraw/zinc/74/42/74/1067744274.db2.gz MTVMCFAVBWKXNG-UHFFFAOYSA-N 0 0 461.588 0.564 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1=O ZINC000728285584 1067745576 /nfs/dbraw/zinc/74/55/76/1067745576.db2.gz JORIIJDVDQLBFB-UHFFFAOYSA-N 0 0 463.897 0.752 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 ZINC000728291020 1067748649 /nfs/dbraw/zinc/74/86/49/1067748649.db2.gz FBUGOJMKRZPIJL-UHFFFAOYSA-N 0 0 493.051 0.979 20 30 JCEDRN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O)CCCC2 ZINC000728320375 1067761727 /nfs/dbraw/zinc/76/17/27/1067761727.db2.gz JTWQPNSPSVKCEK-AWEZNQCLSA-N 0 0 455.471 0.862 20 30 JCEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O)CCCC2 ZINC000728320380 1067761777 /nfs/dbraw/zinc/76/17/77/1067761777.db2.gz JTWQPNSPSVKCEK-CQSZACIVSA-N 0 0 455.471 0.862 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(NCCO)cc2)CC1 ZINC000728324528 1067763202 /nfs/dbraw/zinc/76/32/02/1067763202.db2.gz CHOCNKYUZYOECD-UHFFFAOYSA-N 0 0 472.523 0.652 20 30 JCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000728345809 1067770787 /nfs/dbraw/zinc/77/07/87/1067770787.db2.gz RLHWNMHAMNPYLV-PMACEKPBSA-N 0 0 460.556 0.402 20 30 JCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000728345810 1067770758 /nfs/dbraw/zinc/77/07/58/1067770758.db2.gz RLHWNMHAMNPYLV-UXHICEINSA-N 0 0 460.556 0.402 20 30 JCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000728345811 1067770732 /nfs/dbraw/zinc/77/07/32/1067770732.db2.gz RLHWNMHAMNPYLV-VQTJNVASSA-N 0 0 460.556 0.402 20 30 JCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000728345812 1067770710 /nfs/dbraw/zinc/77/07/10/1067770710.db2.gz RLHWNMHAMNPYLV-WOJBJXKFSA-N 0 0 460.556 0.402 20 30 JCEDRN CN(C)C(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000728349751 1067772095 /nfs/dbraw/zinc/77/20/95/1067772095.db2.gz KIGMNTXSDIKTQU-UHFFFAOYSA-N 0 0 484.534 0.950 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)NC(=O)c3[nH]nc4ccccc43)CC2)o1 ZINC000728366790 1067775561 /nfs/dbraw/zinc/77/55/61/1067775561.db2.gz CQMBMHRJWKPFDS-CYBMUJFWSA-N 0 0 465.470 0.741 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)c3[nH]nc4ccccc43)CC2)o1 ZINC000728366791 1067775545 /nfs/dbraw/zinc/77/55/45/1067775545.db2.gz CQMBMHRJWKPFDS-ZDUSSCGKSA-N 0 0 465.470 0.741 20 30 JCEDRN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 ZINC000728401974 1067788441 /nfs/dbraw/zinc/78/84/41/1067788441.db2.gz GBPHPDMNAKBPFU-UHFFFAOYSA-N 0 0 485.570 0.446 20 30 JCEDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 ZINC000728402621 1067789079 /nfs/dbraw/zinc/78/90/79/1067789079.db2.gz XHMVOUAOSYEZMX-UHFFFAOYSA-N 0 0 478.557 0.330 20 30 JCEDRN C=C(Br)CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000728404725 1067790407 /nfs/dbraw/zinc/79/04/07/1067790407.db2.gz OPDAUPHNELADNY-UHFFFAOYSA-N 0 0 452.353 0.860 20 30 JCEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cc2F)c1 ZINC000728405051 1067790446 /nfs/dbraw/zinc/79/04/46/1067790446.db2.gz UDAAWWJLTSVDBC-UHFFFAOYSA-N 0 0 490.513 0.993 20 30 JCEDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 ZINC000728405056 1067790195 /nfs/dbraw/zinc/79/01/95/1067790195.db2.gz PUMQQJYYBXXYRC-UHFFFAOYSA-N 0 0 478.557 0.330 20 30 JCEDRN C=C(Br)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000728405328 1067792801 /nfs/dbraw/zinc/79/28/01/1067792801.db2.gz VYXARVORIROMLC-UHFFFAOYSA-N 0 0 459.366 0.976 20 30 JCEDRN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 ZINC000728405640 1067792458 /nfs/dbraw/zinc/79/24/58/1067792458.db2.gz UEZMTXMTEAWQJM-UHFFFAOYSA-N 0 0 485.570 0.446 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOC2=O)c1 ZINC000728406737 1067793976 /nfs/dbraw/zinc/79/39/76/1067793976.db2.gz LATUGYNUWSIAMF-CJLVFECKSA-N 0 0 451.505 0.396 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOC2=O)c1 ZINC000728406741 1067793761 /nfs/dbraw/zinc/79/37/61/1067793761.db2.gz LATUGYNUWSIAMF-JWGURIENSA-N 0 0 451.505 0.396 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOC2=O)cc1 ZINC000728407411 1067795710 /nfs/dbraw/zinc/79/57/10/1067795710.db2.gz WAVUTWGKADIDLB-CJLVFECKSA-N 0 0 451.505 0.396 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOC2=O)cc1 ZINC000728407412 1067795810 /nfs/dbraw/zinc/79/58/10/1067795810.db2.gz WAVUTWGKADIDLB-JWGURIENSA-N 0 0 451.505 0.396 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)cc1 ZINC000728409405 1067796260 /nfs/dbraw/zinc/79/62/60/1067796260.db2.gz AOYGWDFHVSBHSL-HKOYGPOVSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)cc1 ZINC000728409407 1067796090 /nfs/dbraw/zinc/79/60/90/1067796090.db2.gz AOYGWDFHVSBHSL-MOHJPFBDSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)c1 ZINC000728411681 1067797677 /nfs/dbraw/zinc/79/76/77/1067797677.db2.gz NGTFPXUIRNVDIG-HKOYGPOVSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)c1 ZINC000728411682 1067797627 /nfs/dbraw/zinc/79/76/27/1067797627.db2.gz NGTFPXUIRNVDIG-MOHJPFBDSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCCC1=NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1 ZINC000728503918 1067824155 /nfs/dbraw/zinc/82/41/55/1067824155.db2.gz FPAFMNQBEMOWIZ-KQWNVCNZSA-N 0 0 492.539 0.648 20 30 JCEDRN CN1CCCC1=NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1 ZINC000728503919 1067824326 /nfs/dbraw/zinc/82/43/26/1067824326.db2.gz FPAFMNQBEMOWIZ-XQNSMLJCSA-N 0 0 492.539 0.648 20 30 JCEDRN CN1CCCC1=NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 ZINC000728503940 1067824081 /nfs/dbraw/zinc/82/40/81/1067824081.db2.gz GBOOYPATRDRESJ-KQWNVCNZSA-N 0 0 492.539 0.648 20 30 JCEDRN CN1CCCC1=NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 ZINC000728503941 1067824259 /nfs/dbraw/zinc/82/42/59/1067824259.db2.gz GBOOYPATRDRESJ-XQNSMLJCSA-N 0 0 492.539 0.648 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 ZINC000728506442 1067824890 /nfs/dbraw/zinc/82/48/90/1067824890.db2.gz PQQIZDHEAQZKJU-UHFFFAOYSA-N 0 0 483.506 0.070 20 30 JCEDRN CC(C)OCCCNC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728525627 1067828789 /nfs/dbraw/zinc/82/87/89/1067828789.db2.gz ZIGKQMXXDCEQDK-UHFFFAOYSA-N 0 0 450.561 0.895 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CC1 ZINC000728530394 1067833212 /nfs/dbraw/zinc/83/32/12/1067833212.db2.gz CEPGVLOYPFXVQZ-UHFFFAOYSA-N 0 0 473.578 0.666 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC1 ZINC000728530420 1067833471 /nfs/dbraw/zinc/83/34/71/1067833471.db2.gz DJZKXBMGDDRLPK-UHFFFAOYSA-N 0 0 460.581 0.734 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2I)CC1 ZINC000728530455 1067833450 /nfs/dbraw/zinc/83/34/50/1067833450.db2.gz GAXXKYMFZLOBJD-UHFFFAOYSA-N 0 0 471.295 0.816 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 ZINC000728530458 1067833223 /nfs/dbraw/zinc/83/32/23/1067833223.db2.gz GFYFBYBNQNEZLB-UHFFFAOYSA-N 0 0 459.551 0.357 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)CC1 ZINC000728530461 1067833233 /nfs/dbraw/zinc/83/32/33/1067833233.db2.gz GKDXGCYEJLNVSC-UHFFFAOYSA-N 0 0 451.552 0.980 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000728530480 1067833441 /nfs/dbraw/zinc/83/34/41/1067833441.db2.gz HGYQAAVANXSXET-UHFFFAOYSA-N 0 0 470.389 0.895 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC1 ZINC000728530738 1067833176 /nfs/dbraw/zinc/83/31/76/1067833176.db2.gz QKBJSDHZIIMGDS-UHFFFAOYSA-N 0 0 460.325 0.499 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 ZINC000728530824 1067833844 /nfs/dbraw/zinc/83/38/44/1067833844.db2.gz VGCPWBRUBHKTSO-NRFANRHFSA-N 0 0 467.595 0.980 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 ZINC000728530825 1067833667 /nfs/dbraw/zinc/83/36/67/1067833667.db2.gz VGCPWBRUBHKTSO-OAQYLSRUSA-N 0 0 467.595 0.980 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000728530846 1067833712 /nfs/dbraw/zinc/83/37/12/1067833712.db2.gz VXWJAJXAVCNULB-UHFFFAOYSA-N 0 0 456.240 0.707 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 ZINC000728530851 1067833950 /nfs/dbraw/zinc/83/39/50/1067833950.db2.gz WEXFPLFVFBQESR-UHFFFAOYSA-N 0 0 466.610 0.795 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 ZINC000728530852 1067833861 /nfs/dbraw/zinc/83/38/61/1067833861.db2.gz WFJZSRRUZSYTLP-UHFFFAOYSA-N 0 0 450.542 0.327 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000728531193 1067833469 /nfs/dbraw/zinc/83/34/69/1067833469.db2.gz BXMLUOXEVCHEJZ-UHFFFAOYSA-N 0 0 456.240 0.707 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000728531329 1067833341 /nfs/dbraw/zinc/83/33/41/1067833341.db2.gz HIEVCJDHQXJEAE-UHFFFAOYSA-N 0 0 456.362 0.258 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000728531542 1067834286 /nfs/dbraw/zinc/83/42/86/1067834286.db2.gz GPEZRDCUPCMCDT-UHFFFAOYSA-N 0 0 461.588 0.312 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)COc2c(Br)cc(C#N)cc2OCC)CC1 ZINC000728531681 1067834457 /nfs/dbraw/zinc/83/44/57/1067834457.db2.gz NAMIIFXAEIFJND-UHFFFAOYSA-N 0 0 463.332 0.992 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000728531788 1067834167 /nfs/dbraw/zinc/83/41/67/1067834167.db2.gz PYOATUYWDHSJRY-KRWDZBQOSA-N 0 0 450.461 0.948 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000728531789 1067834426 /nfs/dbraw/zinc/83/44/26/1067834426.db2.gz PYOATUYWDHSJRY-QGZVFWFLSA-N 0 0 450.461 0.948 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000728531817 1067834231 /nfs/dbraw/zinc/83/42/31/1067834231.db2.gz RATMJVFDCXAJKV-UHFFFAOYSA-N 0 0 453.312 0.602 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 ZINC000728531976 1067834388 /nfs/dbraw/zinc/83/43/88/1067834388.db2.gz VQWOCDGAENMLAQ-UHFFFAOYSA-N 0 0 456.543 0.450 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)CC1 ZINC000728531981 1067834113 /nfs/dbraw/zinc/83/41/13/1067834113.db2.gz OSYKLTXJQXYZAC-UHFFFAOYSA-N 0 0 474.539 0.473 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000728532071 1067833944 /nfs/dbraw/zinc/83/39/44/1067833944.db2.gz XTXMJVNQRIKLNK-UHFFFAOYSA-N 0 0 463.332 0.458 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000728532074 1067833938 /nfs/dbraw/zinc/83/39/38/1067833938.db2.gz XVJJFBLWJYYWEF-UHFFFAOYSA-N 0 0 450.337 0.854 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000728532230 1067833746 /nfs/dbraw/zinc/83/37/46/1067833746.db2.gz PPSMXWDFWIKHRZ-UHFFFAOYSA-N 0 0 479.497 0.888 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000728532305 1067833930 /nfs/dbraw/zinc/83/39/30/1067833930.db2.gz TZSOFWNDKDLRCB-UHFFFAOYSA-N 0 0 456.362 0.258 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 ZINC000728532318 1067833827 /nfs/dbraw/zinc/83/38/27/1067833827.db2.gz UOFZTDNCWKXUCS-UHFFFAOYSA-N 0 0 458.563 0.581 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000728532401 1067834208 /nfs/dbraw/zinc/83/42/08/1067834208.db2.gz YSFNRSNNXBKXAD-RUZDIDTESA-N 0 0 487.560 0.394 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000728532402 1067834405 /nfs/dbraw/zinc/83/44/05/1067834405.db2.gz YSFNRSNNXBKXAD-VWLOTQADSA-N 0 0 487.560 0.394 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 ZINC000728532569 1067835290 /nfs/dbraw/zinc/83/52/90/1067835290.db2.gz CBSWAWXJLYKYNT-UHFFFAOYSA-N 0 0 478.479 0.253 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728532591 1067835028 /nfs/dbraw/zinc/83/50/28/1067835028.db2.gz DBSPKJMNTXYBDR-GOSISDBHSA-N 0 0 459.572 0.178 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728532592 1067835211 /nfs/dbraw/zinc/83/52/11/1067835211.db2.gz DBSPKJMNTXYBDR-SFHVURJKSA-N 0 0 459.572 0.178 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)CC1 ZINC000728532599 1067835320 /nfs/dbraw/zinc/83/53/20/1067835320.db2.gz DHXVUMKCBLCTOZ-UHFFFAOYSA-N 0 0 496.033 0.173 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 ZINC000728532614 1067835006 /nfs/dbraw/zinc/83/50/06/1067835006.db2.gz DUHIRSDENRMGRS-UHFFFAOYSA-N 0 0 467.979 0.029 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000728532635 1067834763 /nfs/dbraw/zinc/83/47/63/1067834763.db2.gz GDOMJRUZFKBMFD-NRFANRHFSA-N 0 0 474.583 0.326 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000728532636 1067834640 /nfs/dbraw/zinc/83/46/40/1067834640.db2.gz GDOMJRUZFKBMFD-OAQYLSRUSA-N 0 0 474.583 0.326 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 ZINC000728532718 1067835015 /nfs/dbraw/zinc/83/50/15/1067835015.db2.gz IDGAUOQCZJFJNF-UHFFFAOYSA-N 0 0 455.544 0.053 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CC1 ZINC000728532799 1067834712 /nfs/dbraw/zinc/83/47/12/1067834712.db2.gz KIRHNKADPLGJTO-UHFFFAOYSA-N 0 0 454.980 0.876 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1 ZINC000728532847 1067834736 /nfs/dbraw/zinc/83/47/36/1067834736.db2.gz MGIDJDGAMGYTEU-UHFFFAOYSA-N 0 0 455.515 0.088 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000728532855 1067834818 /nfs/dbraw/zinc/83/48/18/1067834818.db2.gz MJOCCLOXNMPACA-UHFFFAOYSA-N 0 0 460.332 0.443 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 ZINC000728532963 1067834723 /nfs/dbraw/zinc/83/47/23/1067834723.db2.gz PFMWNBPBGBTVPX-UHFFFAOYSA-N 0 0 497.415 0.741 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000728533038 1067834731 /nfs/dbraw/zinc/83/47/31/1067834731.db2.gz SNZXZCUNFYAFBS-UHFFFAOYSA-N 0 0 465.535 0.755 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)CC1 ZINC000728533151 1067834668 /nfs/dbraw/zinc/83/46/68/1067834668.db2.gz BNPMEOMXHWHPIK-UHFFFAOYSA-N 0 0 468.558 0.784 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000728533156 1067834753 /nfs/dbraw/zinc/83/47/53/1067834753.db2.gz BPKREIXOAIIIOD-KRWDZBQOSA-N 0 0 452.602 0.351 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000728533157 1067834743 /nfs/dbraw/zinc/83/47/43/1067834743.db2.gz BPKREIXOAIIIOD-QGZVFWFLSA-N 0 0 452.602 0.351 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728533188 1067834749 /nfs/dbraw/zinc/83/47/49/1067834749.db2.gz CJFMLNDUTYZPMF-IBGZPJMESA-N 0 0 477.543 0.032 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728533190 1067834685 /nfs/dbraw/zinc/83/46/85/1067834685.db2.gz CJFMLNDUTYZPMF-LJQANCHMSA-N 0 0 477.543 0.032 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000728533216 1067834696 /nfs/dbraw/zinc/83/46/96/1067834696.db2.gz DBOIIBUBJOUQAP-CYBMUJFWSA-N 0 0 461.316 0.327 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000728533218 1067834653 /nfs/dbraw/zinc/83/46/53/1067834653.db2.gz DBOIIBUBJOUQAP-ZDUSSCGKSA-N 0 0 461.316 0.327 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 ZINC000728533258 1067834217 /nfs/dbraw/zinc/83/42/17/1067834217.db2.gz ZHPURSHSBXEIEQ-UHFFFAOYSA-N 0 0 488.614 0.133 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000728533262 1067834091 /nfs/dbraw/zinc/83/40/91/1067834091.db2.gz ZMEYCDVWFJWWIB-UHFFFAOYSA-N 0 0 474.505 0.658 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000728533314 1067834443 /nfs/dbraw/zinc/83/44/43/1067834443.db2.gz GFHGFTWMFUQIFU-UHFFFAOYSA-N 0 0 450.499 0.916 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000728533344 1067834149 /nfs/dbraw/zinc/83/41/49/1067834149.db2.gz GQSAFKVUWHTQAA-UHFFFAOYSA-N 0 0 461.316 0.329 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N(CC)CC)cc32)CC1 ZINC000728533433 1067835171 /nfs/dbraw/zinc/83/51/71/1067835171.db2.gz IRDKBBZRJAEFOI-UHFFFAOYSA-N 0 0 487.582 0.478 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000728533568 1067836038 /nfs/dbraw/zinc/83/60/38/1067836038.db2.gz OKXRTDJJYNXDCC-UHFFFAOYSA-N 0 0 475.343 0.719 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000728533682 1067836160 /nfs/dbraw/zinc/83/61/60/1067836160.db2.gz OWDNOYBUPJDPBY-HSZRJFAPSA-N 0 0 498.580 0.835 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000728533683 1067836169 /nfs/dbraw/zinc/83/61/69/1067836169.db2.gz OWDNOYBUPJDPBY-QHCPKHFHSA-N 0 0 498.580 0.835 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC000728533713 1067835679 /nfs/dbraw/zinc/83/56/79/1067835679.db2.gz QCAQRFUFAPYCKT-UHFFFAOYSA-N 0 0 496.549 0.577 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC(C)C)CC1 ZINC000728533717 1067835568 /nfs/dbraw/zinc/83/55/68/1067835568.db2.gz QDSKFRNTVQMIEQ-UHFFFAOYSA-N 0 0 466.542 0.538 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 ZINC000728533760 1067835612 /nfs/dbraw/zinc/83/56/12/1067835612.db2.gz SHBMJSHSSJTJDI-UHFFFAOYSA-N 0 0 450.561 0.233 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CCC)CC1 ZINC000728533769 1067835661 /nfs/dbraw/zinc/83/56/61/1067835661.db2.gz SSKGNRKIZRYWHV-UHFFFAOYSA-N 0 0 454.531 0.538 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)CC1 ZINC000728533860 1067835949 /nfs/dbraw/zinc/83/59/49/1067835949.db2.gz UEUPUTHYSYFEDA-UHFFFAOYSA-N 0 0 460.600 0.264 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000728533875 1067835973 /nfs/dbraw/zinc/83/59/73/1067835973.db2.gz COFJGQCWSDAMIQ-UHFFFAOYSA-N 0 0 468.579 0.981 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 ZINC000728533876 1067836182 /nfs/dbraw/zinc/83/61/82/1067836182.db2.gz UPSUEOFZKLVUOZ-UHFFFAOYSA-N 0 0 474.608 0.776 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 ZINC000728533914 1067836251 /nfs/dbraw/zinc/83/62/51/1067836251.db2.gz BRIHJZCUGNEHRO-UHFFFAOYSA-N 0 0 476.599 0.380 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 ZINC000728533936 1067835755 /nfs/dbraw/zinc/83/57/55/1067835755.db2.gz BVTMKMXHMZLFIK-UHFFFAOYSA-N 0 0 483.388 0.397 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CC1 ZINC000728533938 1067835701 /nfs/dbraw/zinc/83/57/01/1067835701.db2.gz DFWZXVBAQNPORB-UHFFFAOYSA-N 0 0 451.453 0.586 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC000728534014 1067835344 /nfs/dbraw/zinc/83/53/44/1067835344.db2.gz CYGWJZLENOJZDL-KDURUIRLSA-N 0 0 490.626 0.869 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 ZINC000728534015 1067835356 /nfs/dbraw/zinc/83/53/56/1067835356.db2.gz CYGWJZLENOJZDL-OALUTQOASA-N 0 0 490.626 0.869 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 ZINC000728534016 1067835242 /nfs/dbraw/zinc/83/52/42/1067835242.db2.gz CYGWJZLENOJZDL-RTBURBONSA-N 0 0 490.626 0.869 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC000728534025 1067835191 /nfs/dbraw/zinc/83/51/91/1067835191.db2.gz DISPHVDFPNYXPZ-KDURUIRLSA-N 0 0 460.600 0.860 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 ZINC000728534027 1067835333 /nfs/dbraw/zinc/83/53/33/1067835333.db2.gz DISPHVDFPNYXPZ-OALUTQOASA-N 0 0 460.600 0.860 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 ZINC000728534028 1067835150 /nfs/dbraw/zinc/83/51/50/1067835150.db2.gz DISPHVDFPNYXPZ-RTBURBONSA-N 0 0 460.600 0.860 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000728534032 1067835740 /nfs/dbraw/zinc/83/57/40/1067835740.db2.gz DMCKSKRCSVDVGT-KDURUIRLSA-N 0 0 460.600 0.860 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000728534033 1067835554 /nfs/dbraw/zinc/83/55/54/1067835554.db2.gz DMCKSKRCSVDVGT-OALUTQOASA-N 0 0 460.600 0.860 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000728534035 1067835647 /nfs/dbraw/zinc/83/56/47/1067835647.db2.gz DMCKSKRCSVDVGT-RTBURBONSA-N 0 0 460.600 0.860 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000728534241 1067834993 /nfs/dbraw/zinc/83/49/93/1067834993.db2.gz HJEFTJGSSUFBRZ-UHFFFAOYSA-N 0 0 491.570 0.198 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000728534269 1067835301 /nfs/dbraw/zinc/83/53/01/1067835301.db2.gz HXFUJDDLUGAIMK-UHFFFAOYSA-N 0 0 471.377 0.011 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 ZINC000728534292 1067835596 /nfs/dbraw/zinc/83/55/96/1067835596.db2.gz IFBXKLBBHGDPPD-UHFFFAOYSA-N 0 0 480.590 0.941 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC000728534296 1067835781 /nfs/dbraw/zinc/83/57/81/1067835781.db2.gz IIBIXUFXIULSBZ-UHFFFAOYSA-N 0 0 466.563 0.945 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000728534317 1067835722 /nfs/dbraw/zinc/83/57/22/1067835722.db2.gz IZXMXISWXJFBMQ-UHFFFAOYSA-N 0 0 492.598 0.190 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 ZINC000728534395 1067836128 /nfs/dbraw/zinc/83/61/28/1067836128.db2.gz JPVUUNBNPSFPSU-UHFFFAOYSA-N 0 0 490.607 0.846 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000728534417 1067836061 /nfs/dbraw/zinc/83/60/61/1067836061.db2.gz LEKBAPLHVDKDLW-GOSISDBHSA-N 0 0 498.609 0.484 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1 ZINC000728534418 1067836338 /nfs/dbraw/zinc/83/63/38/1067836338.db2.gz LEKBAPLHVDKDLW-SFHVURJKSA-N 0 0 498.609 0.484 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 ZINC000728534428 1067836147 /nfs/dbraw/zinc/83/61/47/1067836147.db2.gz KLIFIQYLJUXILO-UHFFFAOYSA-N 0 0 474.517 0.999 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000728534446 1067836558 /nfs/dbraw/zinc/83/65/58/1067836558.db2.gz LEZWUMHQDDRDKP-UHFFFAOYSA-N 0 0 454.980 0.878 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 ZINC000728534460 1067836470 /nfs/dbraw/zinc/83/64/70/1067836470.db2.gz LUWTTWQUKCBYJU-UHFFFAOYSA-N 0 0 473.382 0.941 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000728534483 1067836683 /nfs/dbraw/zinc/83/66/83/1067836683.db2.gz MVXVJHZRMXAOFQ-UHFFFAOYSA-N 0 0 486.638 0.860 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000728534491 1067836665 /nfs/dbraw/zinc/83/66/65/1067836665.db2.gz NFILTAJILIJSES-UHFFFAOYSA-N 0 0 452.964 0.632 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 ZINC000728534501 1067836729 /nfs/dbraw/zinc/83/67/29/1067836729.db2.gz NNNZREMGOBXNLT-UHFFFAOYSA-N 0 0 474.583 0.184 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 ZINC000728534525 1067837977 /nfs/dbraw/zinc/83/79/77/1067837977.db2.gz OJKUEADGDSLYBP-UHFFFAOYSA-N 0 0 496.589 0.875 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000728534576 1067838110 /nfs/dbraw/zinc/83/81/10/1067838110.db2.gz OVSZOHYBXQTTGN-IBGZPJMESA-N 0 0 466.629 0.289 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000728534580 1067837983 /nfs/dbraw/zinc/83/79/83/1067837983.db2.gz OVSZOHYBXQTTGN-LJQANCHMSA-N 0 0 466.629 0.289 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)CC1 ZINC000728534604 1067837959 /nfs/dbraw/zinc/83/79/59/1067837959.db2.gz OHAVVXFUJJXSNQ-UHFFFAOYSA-N 0 0 489.642 0.825 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1 ZINC000728534623 1067837871 /nfs/dbraw/zinc/83/78/71/1067837871.db2.gz QGPYQVXMXLEBTH-UHFFFAOYSA-N 0 0 460.581 0.734 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000728534629 1067838013 /nfs/dbraw/zinc/83/80/13/1067838013.db2.gz QQHVEEKRGJDKMJ-UHFFFAOYSA-N 0 0 498.561 0.766 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000728534648 1067837038 /nfs/dbraw/zinc/83/70/38/1067837038.db2.gz RPIWCBIWBWNAOK-UHFFFAOYSA-N 0 0 462.572 0.184 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 ZINC000728534653 1067837562 /nfs/dbraw/zinc/83/75/62/1067837562.db2.gz PAULLYSWAVPJDN-UHFFFAOYSA-N 0 0 461.588 0.044 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 ZINC000728534693 1067837099 /nfs/dbraw/zinc/83/70/99/1067837099.db2.gz SVULKRJFFQRQRN-UHFFFAOYSA-N 0 0 451.504 0.571 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000728534703 1067837083 /nfs/dbraw/zinc/83/70/83/1067837083.db2.gz QPZKQZWBXLGPKY-GOSISDBHSA-N 0 0 461.360 0.947 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000728534705 1067837188 /nfs/dbraw/zinc/83/71/88/1067837188.db2.gz QPZKQZWBXLGPKY-SFHVURJKSA-N 0 0 461.360 0.947 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000728534726 1067837119 /nfs/dbraw/zinc/83/71/19/1067837119.db2.gz UUFHLQSOFAHJRG-UHFFFAOYSA-N 0 0 450.536 0.508 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000728534792 1067838036 /nfs/dbraw/zinc/83/80/36/1067838036.db2.gz VKTGUAIPOYZDHV-UHFFFAOYSA-N 0 0 486.506 0.870 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000728534830 1067837028 /nfs/dbraw/zinc/83/70/28/1067837028.db2.gz WADIVPUCOBTCBS-UHFFFAOYSA-N 0 0 460.600 0.687 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CSc2nnc3n2c2ccccc2c(=O)n3CC=C)CC1 ZINC000728534839 1067837016 /nfs/dbraw/zinc/83/70/16/1067837016.db2.gz WFLLRWBYVBTIDA-UHFFFAOYSA-N 0 0 479.566 0.216 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000728534919 1067837091 /nfs/dbraw/zinc/83/70/91/1067837091.db2.gz XLAKSWVEULDDQJ-UHFFFAOYSA-N 0 0 476.599 0.767 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000728534924 1067837240 /nfs/dbraw/zinc/83/72/40/1067837240.db2.gz XQQNWYVRXCNBBP-UHFFFAOYSA-N 0 0 484.981 0.773 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 ZINC000728534925 1067836986 /nfs/dbraw/zinc/83/69/86/1067836986.db2.gz XRUFWTVETUMRAK-UHFFFAOYSA-N 0 0 460.600 0.598 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000728534942 1067836999 /nfs/dbraw/zinc/83/69/99/1067836999.db2.gz YEWHLJOGKQBIMP-UHFFFAOYSA-N 0 0 452.602 0.359 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)CC1 ZINC000728534946 1067837075 /nfs/dbraw/zinc/83/70/75/1067837075.db2.gz STMBLGOINJOIHE-UHFFFAOYSA-N 0 0 475.615 0.434 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000728534954 1067836570 /nfs/dbraw/zinc/83/65/70/1067836570.db2.gz SYCXTZJXRONEDN-UHFFFAOYSA-N 0 0 468.526 0.259 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 ZINC000728534998 1067836629 /nfs/dbraw/zinc/83/66/29/1067836629.db2.gz ZKMFJBYZHWAXEE-UHFFFAOYSA-N 0 0 454.980 0.878 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000728534999 1067836645 /nfs/dbraw/zinc/83/66/45/1067836645.db2.gz ZPGSIWCIANGDDR-UHFFFAOYSA-N 0 0 454.552 0.672 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728535029 1067836527 /nfs/dbraw/zinc/83/65/27/1067836527.db2.gz VRXRHUCCNYMECV-UHFFFAOYSA-N 0 0 459.572 0.179 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 ZINC000728535046 1067836543 /nfs/dbraw/zinc/83/65/43/1067836543.db2.gz WHAKIZFUIGFTON-JOCHJYFZSA-N 0 0 492.598 0.044 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 ZINC000728535047 1067836637 /nfs/dbraw/zinc/83/66/37/1067836637.db2.gz WHAKIZFUIGFTON-QFIPXVFZSA-N 0 0 492.598 0.044 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000728535051 1067837130 /nfs/dbraw/zinc/83/71/30/1067837130.db2.gz WLJFQWNRZSANAN-KRWDZBQOSA-N 0 0 450.536 0.120 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000728535052 1067836617 /nfs/dbraw/zinc/83/66/17/1067836617.db2.gz WLJFQWNRZSANAN-QGZVFWFLSA-N 0 0 450.536 0.120 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1 ZINC000728535124 1067836675 /nfs/dbraw/zinc/83/66/75/1067836675.db2.gz ZZQHCDBYSCIDTM-UHFFFAOYSA-N 0 0 459.591 0.797 20 30 JCEDRN O=C(CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)NC1CCCCC1 ZINC000728535496 1067838748 /nfs/dbraw/zinc/83/87/48/1067838748.db2.gz IAFNASHQAUIWFQ-UHFFFAOYSA-N 0 0 461.588 0.708 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000728535604 1067839024 /nfs/dbraw/zinc/83/90/24/1067839024.db2.gz ALHHCLXBMJVCQF-UHFFFAOYSA-N 0 0 476.477 0.147 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000728535624 1067838777 /nfs/dbraw/zinc/83/87/77/1067838777.db2.gz AZRWCSYOXYCCTC-UHFFFAOYSA-N 0 0 466.991 0.634 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000728535625 1067838951 /nfs/dbraw/zinc/83/89/51/1067838951.db2.gz AZTHOVNYKSDPTL-UHFFFAOYSA-N 0 0 472.611 0.470 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CCC)CC1 ZINC000728535649 1067838989 /nfs/dbraw/zinc/83/89/89/1067838989.db2.gz BZDXASVYXTYNKL-UHFFFAOYSA-N 0 0 452.515 0.292 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000728535667 1069707574 /nfs/dbraw/zinc/70/75/74/1069707574.db2.gz CBYRRSYUTOZFCE-UHFFFAOYSA-N 0 0 471.377 0.207 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000728535677 1067838762 /nfs/dbraw/zinc/83/87/62/1067838762.db2.gz CDCVTQPAOHXIAL-GOSISDBHSA-N 0 0 461.544 0.340 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000728535679 1067838982 /nfs/dbraw/zinc/83/89/82/1067838982.db2.gz CDCVTQPAOHXIAL-SFHVURJKSA-N 0 0 461.544 0.340 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)CC1 ZINC000728535734 1067838997 /nfs/dbraw/zinc/83/89/97/1067838997.db2.gz DHXGIYWWNYQJJW-UHFFFAOYSA-N 0 0 496.589 0.954 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000728536021 1067837888 /nfs/dbraw/zinc/83/78/88/1067837888.db2.gz FHNYZODXYGVFOC-GOSISDBHSA-N 0 0 497.415 0.496 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000728536022 1067838090 /nfs/dbraw/zinc/83/80/90/1067838090.db2.gz FHNYZODXYGVFOC-SFHVURJKSA-N 0 0 497.415 0.496 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)CC1 ZINC000728536029 1067838064 /nfs/dbraw/zinc/83/80/64/1067838064.db2.gz FLQQSQDJZBOQFI-UHFFFAOYSA-N 0 0 462.572 0.423 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CC1 ZINC000728536032 1067837905 /nfs/dbraw/zinc/83/79/05/1067837905.db2.gz FWACPMNAYJMSJR-UHFFFAOYSA-N 0 0 470.570 0.984 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000728536066 1067837947 /nfs/dbraw/zinc/83/79/47/1067837947.db2.gz HLIAVPFEWRHCGB-UHFFFAOYSA-N 0 0 454.980 0.924 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 ZINC000728536074 1067837990 /nfs/dbraw/zinc/83/79/90/1067837990.db2.gz IFKBDQRUVVVGGD-UHFFFAOYSA-N 0 0 498.561 0.401 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000728536094 1067838000 /nfs/dbraw/zinc/83/80/00/1067838000.db2.gz JJJBLZBZGVBMJK-UHFFFAOYSA-N 0 0 450.536 0.120 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 ZINC000728536098 1067837937 /nfs/dbraw/zinc/83/79/37/1067837937.db2.gz JLJAHQLBXSYTJV-UHFFFAOYSA-N 0 0 460.600 0.598 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000728536099 1067838073 /nfs/dbraw/zinc/83/80/73/1067838073.db2.gz JLVKYTUBKBQHIE-VCHYOVAHSA-N 0 0 458.584 0.593 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 ZINC000728536100 1067838049 /nfs/dbraw/zinc/83/80/49/1067838049.db2.gz JLVKYTUBKBQHIE-ZDLGFXPLSA-N 0 0 458.584 0.593 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)CC1 ZINC000728536114 1067837973 /nfs/dbraw/zinc/83/79/73/1067837973.db2.gz JUNDGDCLOMUBTM-UHFFFAOYSA-N 0 0 458.540 0.574 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000728536159 1067837544 /nfs/dbraw/zinc/83/75/44/1067837544.db2.gz MSVIWSODMHWOBL-OTJDAXFFSA-N 0 0 478.640 0.592 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000728536160 1067837462 /nfs/dbraw/zinc/83/74/62/1067837462.db2.gz MSVIWSODMHWOBL-PLMLNFJUSA-N 0 0 478.640 0.592 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000728536161 1067837473 /nfs/dbraw/zinc/83/74/73/1067837473.db2.gz MSVIWSODMHWOBL-PSXSOWLISA-N 0 0 478.640 0.592 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000728536162 1067838291 /nfs/dbraw/zinc/83/82/91/1067838291.db2.gz MSVIWSODMHWOBL-YZILGEIOSA-N 0 0 478.640 0.592 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 ZINC000728536168 1067838339 /nfs/dbraw/zinc/83/83/39/1067838339.db2.gz MYAPCBSQQGPXAA-KRWDZBQOSA-N 0 0 470.592 0.119 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 ZINC000728536169 1067838303 /nfs/dbraw/zinc/83/83/03/1067838303.db2.gz MYAPCBSQQGPXAA-QGZVFWFLSA-N 0 0 470.592 0.119 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728536173 1067838357 /nfs/dbraw/zinc/83/83/57/1067838357.db2.gz NDUFHQVEBQOKNA-GOSISDBHSA-N 0 0 459.572 0.033 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728536174 1067838308 /nfs/dbraw/zinc/83/83/08/1067838308.db2.gz NDUFHQVEBQOKNA-SFHVURJKSA-N 0 0 459.572 0.033 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000728536179 1067838456 /nfs/dbraw/zinc/83/84/56/1067838456.db2.gz NFQHRFZEENQNNJ-UHFFFAOYSA-N 0 0 494.923 0.921 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000728536184 1067838474 /nfs/dbraw/zinc/83/84/74/1067838474.db2.gz NKYQGSAIQWTXEV-UHFFFAOYSA-N 0 0 450.561 0.233 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000728536204 1067838388 /nfs/dbraw/zinc/83/83/88/1067838388.db2.gz ONYLQVCZXHVFPX-UHFFFAOYSA-N 0 0 498.609 0.050 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000728536238 1067838500 /nfs/dbraw/zinc/83/85/00/1067838500.db2.gz PHHPARUMFHQMGD-UHFFFAOYSA-N 0 0 461.371 0.555 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000728536244 1067838557 /nfs/dbraw/zinc/83/85/57/1067838557.db2.gz PUAKXYRPRRKBCU-UHFFFAOYSA-N 0 0 462.616 0.791 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000728536250 1067838538 /nfs/dbraw/zinc/83/85/38/1067838538.db2.gz QAJSTVXNLBYCQL-UHFFFAOYSA-N 0 0 468.526 0.259 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 ZINC000728536254 1067838297 /nfs/dbraw/zinc/83/82/97/1067838297.db2.gz QDCDJTJKQJEJTL-UHFFFAOYSA-N 0 0 476.599 0.767 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000728536275 1067837435 /nfs/dbraw/zinc/83/74/35/1067837435.db2.gz RJNNJPBRRFRADB-UHFFFAOYSA-N 0 0 471.377 0.011 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 ZINC000728536279 1067837573 /nfs/dbraw/zinc/83/75/73/1067837573.db2.gz RTLSVXOXGWBAMO-UHFFFAOYSA-N 0 0 468.579 0.981 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000728536292 1067837432 /nfs/dbraw/zinc/83/74/32/1067837432.db2.gz SIEOCRVJVCDWBH-UHFFFAOYSA-N 0 0 452.964 0.632 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1 ZINC000728536295 1067837615 /nfs/dbraw/zinc/83/76/15/1067837615.db2.gz SPIOORLDVDCOKF-IBGZPJMESA-N 0 0 499.431 0.646 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000728536308 1067837588 /nfs/dbraw/zinc/83/75/88/1067837588.db2.gz UDZSGTPURDJIKO-UHFFFAOYSA-N 0 0 474.583 0.184 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)CC1 ZINC000728536324 1067837518 /nfs/dbraw/zinc/83/75/18/1067837518.db2.gz VMGQBUFXRKIYFK-UHFFFAOYSA-N 0 0 499.431 0.987 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000728536330 1067837602 /nfs/dbraw/zinc/83/76/02/1067837602.db2.gz WAVUEACYXOLGAL-KRWDZBQOSA-N 0 0 482.990 0.305 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000728536331 1067837456 /nfs/dbraw/zinc/83/74/56/1067837456.db2.gz WAVUEACYXOLGAL-QGZVFWFLSA-N 0 0 482.990 0.305 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)CC1 ZINC000728536344 1067837429 /nfs/dbraw/zinc/83/74/29/1067837429.db2.gz WRCLOERHEMZGBD-UHFFFAOYSA-N 0 0 499.431 0.891 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000728536346 1067837425 /nfs/dbraw/zinc/83/74/25/1067837425.db2.gz WUFZHIGTLCERDN-CALCHBBNSA-N 0 0 497.017 0.645 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000728536347 1067837440 /nfs/dbraw/zinc/83/74/40/1067837440.db2.gz WUFZHIGTLCERDN-IAGOWNOFSA-N 0 0 497.017 0.645 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000728536348 1067837503 /nfs/dbraw/zinc/83/75/03/1067837503.db2.gz WUFZHIGTLCERDN-IRXDYDNUSA-N 0 0 497.017 0.645 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 ZINC000728536360 1067837489 /nfs/dbraw/zinc/83/74/89/1067837489.db2.gz XDNREDSWRQPJHY-UHFFFAOYSA-N 0 0 474.627 0.906 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 ZINC000728536394 1067838832 /nfs/dbraw/zinc/83/88/32/1067838832.db2.gz YWJURBVPTRTFJP-UHFFFAOYSA-N 0 0 498.561 0.766 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000728536400 1067838894 /nfs/dbraw/zinc/83/88/94/1067838894.db2.gz ZDIJTDFLQMXRCP-UHFFFAOYSA-N 0 0 450.561 0.279 20 30 JCEDRN CN(C(=O)CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)C1CCCCC1 ZINC000728545555 1067843127 /nfs/dbraw/zinc/84/31/27/1067843127.db2.gz OVCJZTZGTCPYAQ-UHFFFAOYSA-N 0 0 461.588 0.660 20 30 JCEDRN NC(=O)CCNC(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000728548210 1067843335 /nfs/dbraw/zinc/84/33/35/1067843335.db2.gz AIYDFSYPMYEUBV-UHFFFAOYSA-N 0 0 457.512 0.749 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(-c3ccc(F)cc3)c2)sc1=C(C#N)C(=O)NCCOC ZINC000728556942 1067844650 /nfs/dbraw/zinc/84/46/50/1067844650.db2.gz ARFNYVKZJLOKSW-UHFFFAOYSA-N 0 0 455.515 0.910 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1CCN1CCOCC1 ZINC000728556959 1067844699 /nfs/dbraw/zinc/84/46/99/1067844699.db2.gz AYCIMUXVOUVADN-UHFFFAOYSA-N 0 0 469.611 0.486 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cc(C)n(CC)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000728556990 1067844688 /nfs/dbraw/zinc/84/46/88/1067844688.db2.gz AVSUOISPHPMSOJ-UHFFFAOYSA-N 0 0 458.584 0.746 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)c1C ZINC000728557014 1067844238 /nfs/dbraw/zinc/84/42/38/1067844238.db2.gz CLJWXHWANSNOKK-UHFFFAOYSA-N 0 0 485.654 0.956 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCN1CCOCC1 ZINC000728557135 1067844685 /nfs/dbraw/zinc/84/46/85/1067844685.db2.gz FMQCGCMAEFIRIT-UHFFFAOYSA-N 0 0 450.499 0.593 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C(N)=O)cc3)c2=O)c1C ZINC000728557151 1067844151 /nfs/dbraw/zinc/84/41/51/1067844151.db2.gz FCYZFNGVVCEADF-UHFFFAOYSA-N 0 0 493.589 0.702 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(C)n(CC)c2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000728557162 1067844169 /nfs/dbraw/zinc/84/41/69/1067844169.db2.gz GGMQYHUPTYAKNH-UHFFFAOYSA-N 0 0 471.627 0.710 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1CCN1CCOCC1 ZINC000728557176 1067844330 /nfs/dbraw/zinc/84/43/30/1067844330.db2.gz GRXGAFWTKVWTIK-UHFFFAOYSA-N 0 0 471.627 0.710 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)c1C ZINC000728557197 1067844280 /nfs/dbraw/zinc/84/42/80/1067844280.db2.gz HGIOLOZICCLFEB-GOSISDBHSA-N 0 0 458.584 0.793 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)c1C ZINC000728557198 1067844366 /nfs/dbraw/zinc/84/43/66/1067844366.db2.gz HGIOLOZICCLFEB-SFHVURJKSA-N 0 0 458.584 0.793 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C1CC1 ZINC000728557258 1067844202 /nfs/dbraw/zinc/84/42/02/1067844202.db2.gz HEOUNVYGQKWVFI-UHFFFAOYSA-N 0 0 465.510 0.931 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(-c3ccc(F)cc3)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000728557273 1067844289 /nfs/dbraw/zinc/84/42/89/1067844289.db2.gz JHURYJDTZBNEEX-UHFFFAOYSA-N 0 0 453.499 0.663 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)c1C ZINC000728557342 1067844093 /nfs/dbraw/zinc/84/40/93/1067844093.db2.gz JXHPHZNUELRTOB-UHFFFAOYSA-N 0 0 471.627 0.662 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c1C ZINC000728557364 1067844348 /nfs/dbraw/zinc/84/43/48/1067844348.db2.gz LCBYUWLBMVUFER-UHFFFAOYSA-N 0 0 483.638 0.806 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1C ZINC000728557365 1067844224 /nfs/dbraw/zinc/84/42/24/1067844224.db2.gz LEUJORUTXCBWCW-IBGZPJMESA-N 0 0 470.595 0.889 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1C ZINC000728557366 1067844075 /nfs/dbraw/zinc/84/40/75/1067844075.db2.gz LEUJORUTXCBWCW-LJQANCHMSA-N 0 0 470.595 0.889 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCOC ZINC000728557460 1067844994 /nfs/dbraw/zinc/84/49/94/1067844994.db2.gz MYGKELABSZBVOL-UHFFFAOYSA-N 0 0 471.514 0.147 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1C ZINC000728557491 1067845098 /nfs/dbraw/zinc/84/50/98/1067845098.db2.gz NLJVUJQZTOUPMJ-UHFFFAOYSA-N 0 0 469.611 0.462 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C)n(CC)c3C)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000728557632 1067845204 /nfs/dbraw/zinc/84/52/04/1067845204.db2.gz NDRPMTLAVCDYGK-UHFFFAOYSA-N 0 0 468.583 0.819 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCOC ZINC000728557645 1067845021 /nfs/dbraw/zinc/84/50/21/1067845021.db2.gz OLJSKDZCTLGLFH-UHFFFAOYSA-N 0 0 453.499 0.686 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(-c3ccc(F)cc3)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000728557694 1067844999 /nfs/dbraw/zinc/84/49/99/1067844999.db2.gz PKBGSERGVMGPCN-UHFFFAOYSA-N 0 0 455.515 0.909 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000728557716 1067845150 /nfs/dbraw/zinc/84/51/50/1067845150.db2.gz QDAURPZGAPBEEZ-IBGZPJMESA-N 0 0 497.552 0.679 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C[C@H]1CCCO1 ZINC000728557718 1067845132 /nfs/dbraw/zinc/84/51/32/1067845132.db2.gz QDAURPZGAPBEEZ-LJQANCHMSA-N 0 0 497.552 0.679 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(-c3ccc(F)cc3)c2)sc1=C(C#N)C(=O)NCCOC ZINC000728557810 1067844731 /nfs/dbraw/zinc/84/47/31/1067844731.db2.gz RDHAXACEWKINDS-UHFFFAOYSA-N 0 0 485.541 0.537 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cc(C)n(CC)c3C)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000728557814 1067844636 /nfs/dbraw/zinc/84/46/36/1067844636.db2.gz RICAWISQDRJICB-UHFFFAOYSA-N 0 0 480.594 0.916 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C1CC1 ZINC000728557825 1067844717 /nfs/dbraw/zinc/84/47/17/1067844717.db2.gz SDFOTHMCMBZBQL-UHFFFAOYSA-N 0 0 453.499 0.835 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1C ZINC000728557838 1067844653 /nfs/dbraw/zinc/84/46/53/1067844653.db2.gz SQBDOEQBKQKHDJ-UHFFFAOYSA-N 0 0 469.611 0.634 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)c1C ZINC000728557890 1067844676 /nfs/dbraw/zinc/84/46/76/1067844676.db2.gz UOPHBXILECUZOE-UHFFFAOYSA-N 0 0 485.654 0.956 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn(-c3ccc(F)cc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000728557973 1067845115 /nfs/dbraw/zinc/84/51/15/1067845115.db2.gz WQOOSSWROAYPRZ-UHFFFAOYSA-N 0 0 497.552 0.633 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCOC ZINC000728558020 1067845169 /nfs/dbraw/zinc/84/51/69/1067845169.db2.gz WKZNMPPIVZDQRL-UHFFFAOYSA-N 0 0 485.541 0.537 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c1C ZINC000728558021 1067844679 /nfs/dbraw/zinc/84/46/79/1067844679.db2.gz WLYCDCSSRSHVEA-UHFFFAOYSA-N 0 0 471.627 0.708 20 30 JCEDRN CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)c1C ZINC000728558041 1067844706 /nfs/dbraw/zinc/84/47/06/1067844706.db2.gz XBRKOSUYXZLCPS-UHFFFAOYSA-N 0 0 499.637 0.042 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(-c3ccc(F)cc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000728558095 1067844672 /nfs/dbraw/zinc/84/46/72/1067844672.db2.gz XLKCBOUQSRQHDW-UHFFFAOYSA-N 0 0 483.525 0.243 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1CCOC ZINC000728558109 1067844645 /nfs/dbraw/zinc/84/46/45/1067844645.db2.gz YRMZVHMVVYUJDE-UHFFFAOYSA-N 0 0 455.515 0.910 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cnn(-c3ccc(F)cc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000728558245 1067844738 /nfs/dbraw/zinc/84/47/38/1067844738.db2.gz IQJSRLZSEGAXAX-UHFFFAOYSA-N 0 0 465.510 0.782 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)n(CC)c2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000728558294 1067844681 /nfs/dbraw/zinc/84/46/81/1067844681.db2.gz JQROPVIXXJMSIF-UHFFFAOYSA-N 0 0 469.611 0.486 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cnn(-c3ccc(F)cc3)c2)sc1=C(C#N)C(=O)NCCOC ZINC000728558782 1067845088 /nfs/dbraw/zinc/84/50/88/1067845088.db2.gz RELIEGHIHOFPHX-UHFFFAOYSA-N 0 0 453.499 0.686 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000728570396 1067849424 /nfs/dbraw/zinc/84/94/24/1067849424.db2.gz BYXVHOZTVJGTQT-AWEZNQCLSA-N 0 0 454.312 0.985 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000728570397 1067849244 /nfs/dbraw/zinc/84/92/44/1067849244.db2.gz BYXVHOZTVJGTQT-CQSZACIVSA-N 0 0 454.312 0.985 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000728570442 1067849743 /nfs/dbraw/zinc/84/97/43/1067849743.db2.gz CQVHDAZCKQYZJR-GOSISDBHSA-N 0 0 451.527 0.904 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000728570444 1067849879 /nfs/dbraw/zinc/84/98/79/1067849879.db2.gz CQVHDAZCKQYZJR-SFHVURJKSA-N 0 0 451.527 0.904 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1 ZINC000728570493 1067849944 /nfs/dbraw/zinc/84/99/44/1067849944.db2.gz CXTFMSCWGLVXDT-UHFFFAOYSA-N 0 0 482.448 0.522 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000728570546 1067849756 /nfs/dbraw/zinc/84/97/56/1067849756.db2.gz DNAAKEDLZUOBKE-KDURUIRLSA-N 0 0 459.566 0.423 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000728570547 1067849869 /nfs/dbraw/zinc/84/98/69/1067849869.db2.gz DNAAKEDLZUOBKE-OALUTQOASA-N 0 0 459.566 0.423 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000728570548 1067849915 /nfs/dbraw/zinc/84/99/15/1067849915.db2.gz DNAAKEDLZUOBKE-RTBURBONSA-N 0 0 459.566 0.423 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)CC1 ZINC000728570603 1067849719 /nfs/dbraw/zinc/84/97/19/1067849719.db2.gz HBAIOHKZSPOFNA-UHFFFAOYSA-N 0 0 471.602 0.023 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000728570604 1067849682 /nfs/dbraw/zinc/84/96/82/1067849682.db2.gz HFSDHAIJIJOHDD-UHFFFAOYSA-N 0 0 467.492 0.848 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000728570903 1067849818 /nfs/dbraw/zinc/84/98/18/1067849818.db2.gz OXBMAAAYGAKGKM-UHFFFAOYSA-N 0 0 472.542 0.964 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000728570958 1067849772 /nfs/dbraw/zinc/84/97/72/1067849772.db2.gz QJSFWFYDVOQDRL-IBGZPJMESA-N 0 0 466.586 0.723 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000728570959 1067849892 /nfs/dbraw/zinc/84/98/92/1067849892.db2.gz QJSFWFYDVOQDRL-LJQANCHMSA-N 0 0 466.586 0.723 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 ZINC000728570979 1067849693 /nfs/dbraw/zinc/84/96/93/1067849693.db2.gz RHHSIXSACIIBGB-UHFFFAOYSA-N 0 0 453.587 0.093 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000728571029 1067849403 /nfs/dbraw/zinc/84/94/03/1067849403.db2.gz ULAQDVJEYREUAK-UHFFFAOYSA-N 0 0 453.374 0.404 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000728571035 1067849198 /nfs/dbraw/zinc/84/91/98/1067849198.db2.gz UMOCYUNWOPYGLO-UHFFFAOYSA-N 0 0 451.493 0.721 20 30 JCEDRN C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000728572325 1067849788 /nfs/dbraw/zinc/84/97/88/1067849788.db2.gz ANJOCXDHDOFYPA-UHFFFAOYSA-N 0 0 461.588 0.167 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000728572338 1067849858 /nfs/dbraw/zinc/84/98/58/1067849858.db2.gz APZVKWYYMQTAFP-HNNXBMFYSA-N 0 0 469.995 0.284 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000728572340 1067849635 /nfs/dbraw/zinc/84/96/35/1067849635.db2.gz APZVKWYYMQTAFP-OAHLLOKOSA-N 0 0 469.995 0.284 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 ZINC000728572375 1067849903 /nfs/dbraw/zinc/84/99/03/1067849903.db2.gz BGSADHBWOORRKE-UHFFFAOYSA-N 0 0 487.626 0.117 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000728572415 1067849707 /nfs/dbraw/zinc/84/97/07/1067849707.db2.gz CIQZDUQWWMMWOK-UHFFFAOYSA-N 0 0 487.626 0.117 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 ZINC000728572427 1067850168 /nfs/dbraw/zinc/85/01/68/1067850168.db2.gz CTOJZYRINALUFR-NRFANRHFSA-N 0 0 473.961 0.878 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 ZINC000728572428 1067850097 /nfs/dbraw/zinc/85/00/97/1067850097.db2.gz CTOJZYRINALUFR-OAQYLSRUSA-N 0 0 473.961 0.878 20 30 JCEDRN C#CCNC(=O)CN1CCN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000728572437 1067850303 /nfs/dbraw/zinc/85/03/03/1067850303.db2.gz DGZXNUGAQAGHQY-UHFFFAOYSA-N 0 0 496.033 0.820 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000728572697 1067850666 /nfs/dbraw/zinc/85/06/66/1067850666.db2.gz ATLAANBDUSWGPP-UHFFFAOYSA-N 0 0 489.642 0.865 20 30 JCEDRN C#CCNC(=O)CN1CCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)CC1 ZINC000728572746 1067850771 /nfs/dbraw/zinc/85/07/71/1067850771.db2.gz DXRDZLCGMIFIFM-UHFFFAOYSA-N 0 0 460.604 0.564 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3)NC(=O)N2)CC1 ZINC000728572821 1067850251 /nfs/dbraw/zinc/85/02/51/1067850251.db2.gz FGAVSVDSGXDEMN-JOCHJYFZSA-N 0 0 469.542 0.233 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3)NC(=O)N2)CC1 ZINC000728572822 1067850381 /nfs/dbraw/zinc/85/03/81/1067850381.db2.gz FGAVSVDSGXDEMN-QFIPXVFZSA-N 0 0 469.542 0.233 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000728572831 1067850368 /nfs/dbraw/zinc/85/03/68/1067850368.db2.gz FOZBLJKNFPDDNS-UHFFFAOYSA-N 0 0 497.621 0.813 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 ZINC000728572832 1067850410 /nfs/dbraw/zinc/85/04/10/1067850410.db2.gz FPFAQBSUQKGGMQ-UHFFFAOYSA-N 0 0 479.603 0.031 20 30 JCEDRN C#CCNC(=O)CN1CCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000728572841 1067850633 /nfs/dbraw/zinc/85/06/33/1067850633.db2.gz GBMNUNGESQQBRX-UHFFFAOYSA-N 0 0 469.995 0.286 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000728572843 1067850738 /nfs/dbraw/zinc/85/07/38/1067850738.db2.gz MZEQLDJYHKPECX-UHFFFAOYSA-N 0 0 478.391 0.521 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(I)cc2)CC1 ZINC000728572870 1067850532 /nfs/dbraw/zinc/85/05/32/1067850532.db2.gz OIOSGMPERYMJTC-AWEZNQCLSA-N 0 0 454.312 0.985 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(I)cc2)CC1 ZINC000728572871 1067850575 /nfs/dbraw/zinc/85/05/75/1067850575.db2.gz OIOSGMPERYMJTC-CQSZACIVSA-N 0 0 454.312 0.985 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000728572918 1067850287 /nfs/dbraw/zinc/85/02/87/1067850287.db2.gz GCLHCWPAHADOGU-UHFFFAOYSA-N 0 0 475.615 0.557 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000728572949 1067850341 /nfs/dbraw/zinc/85/03/41/1067850341.db2.gz GQTAPTZPIGXTHL-UHFFFAOYSA-N 0 0 475.615 0.475 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1 ZINC000728572966 1067850276 /nfs/dbraw/zinc/85/02/76/1067850276.db2.gz GZJJJXATTKCKKM-UHFFFAOYSA-N 0 0 489.642 0.945 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000728572969 1067850294 /nfs/dbraw/zinc/85/02/94/1067850294.db2.gz GTWFXPYKCUUHCH-UHFFFAOYSA-N 0 0 483.594 0.817 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)CC1 ZINC000728572991 1067850148 /nfs/dbraw/zinc/85/01/48/1067850148.db2.gz ICNVYHUFEMOSRQ-UHFFFAOYSA-N 0 0 451.527 0.539 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000728573076 1067850399 /nfs/dbraw/zinc/85/03/99/1067850399.db2.gz JZCVNWRKNMWNMW-IBGZPJMESA-N 0 0 475.615 0.555 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000728573078 1067850205 /nfs/dbraw/zinc/85/02/05/1067850205.db2.gz JZCVNWRKNMWNMW-LJQANCHMSA-N 0 0 475.615 0.555 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 ZINC000728573101 1067850085 /nfs/dbraw/zinc/85/00/85/1067850085.db2.gz KJFGOSQRPUBAOP-UHFFFAOYSA-N 0 0 491.614 0.175 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000728573221 1067850332 /nfs/dbraw/zinc/85/03/32/1067850332.db2.gz UWYIYTRJZDDLQJ-UHFFFAOYSA-N 0 0 453.465 0.469 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C(=O)OCC)cnn2-c2ccccc2)CC1 ZINC000728573284 1067850349 /nfs/dbraw/zinc/85/03/49/1067850349.db2.gz VXYFZFHQEOFOBX-UHFFFAOYSA-N 0 0 452.515 0.355 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000728573303 1067850359 /nfs/dbraw/zinc/85/03/59/1067850359.db2.gz NICRNXZXLZOVIS-UHFFFAOYSA-N 0 0 486.926 0.769 20 30 JCEDRN C#CCNC(=O)CN1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000728573443 1067850605 /nfs/dbraw/zinc/85/06/05/1067850605.db2.gz WHAXPTHZZSCTCA-UHFFFAOYSA-N 0 0 461.588 0.167 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 ZINC000728573489 1067850756 /nfs/dbraw/zinc/85/07/56/1067850756.db2.gz YBVBANRCHZKNEF-AWEZNQCLSA-N 0 0 451.449 0.746 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 ZINC000728573490 1067850819 /nfs/dbraw/zinc/85/08/19/1067850819.db2.gz YBVBANRCHZKNEF-CQSZACIVSA-N 0 0 451.449 0.746 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)CC1 ZINC000728573509 1067851413 /nfs/dbraw/zinc/85/14/13/1067851413.db2.gz PQQCKAPGYQQBFR-UHFFFAOYSA-N 0 0 477.587 0.241 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)CC1 ZINC000728573535 1067851401 /nfs/dbraw/zinc/85/14/01/1067851401.db2.gz ZGGJRGYEMAJIFO-KRWDZBQOSA-N 0 0 451.449 0.660 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000728573536 1067851396 /nfs/dbraw/zinc/85/13/96/1067851396.db2.gz ZGGJRGYEMAJIFO-QGZVFWFLSA-N 0 0 451.449 0.660 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000728573544 1067851246 /nfs/dbraw/zinc/85/12/46/1067851246.db2.gz QFXYIMBGSNGPPY-UHFFFAOYSA-N 0 0 451.365 0.653 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 ZINC000728573568 1067851863 /nfs/dbraw/zinc/85/18/63/1067851863.db2.gz QRKVASPEUBECRF-RGEXLXHISA-N 0 0 487.557 0.345 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CC1 ZINC000728573569 1067851593 /nfs/dbraw/zinc/85/15/93/1067851593.db2.gz QRKVASPEUBECRF-XMHGGMMESA-N 0 0 487.557 0.345 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000728573577 1067851843 /nfs/dbraw/zinc/85/18/43/1067851843.db2.gz RAYZZGRVXFINJF-UHFFFAOYSA-N 0 0 461.588 0.167 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 ZINC000728573592 1067851814 /nfs/dbraw/zinc/85/18/14/1067851814.db2.gz RSAMCGWGJIYSKL-UHFFFAOYSA-N 0 0 488.614 0.243 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)CC1 ZINC000728573620 1067851826 /nfs/dbraw/zinc/85/18/26/1067851826.db2.gz SKARKMRFHHVWHS-UHFFFAOYSA-N 0 0 475.615 0.309 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000728573680 1067851336 /nfs/dbraw/zinc/85/13/36/1067851336.db2.gz WBWPKNGDCAVDPH-UHFFFAOYSA-N 0 0 477.521 0.973 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000728573740 1067851267 /nfs/dbraw/zinc/85/12/67/1067851267.db2.gz UARNASUIENOCHY-UHFFFAOYSA-N 0 0 497.621 0.040 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000728573742 1067851370 /nfs/dbraw/zinc/85/13/70/1067851370.db2.gz UBPKFCNPBJFFSY-IBGZPJMESA-N 0 0 477.631 0.720 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000728573743 1067851219 /nfs/dbraw/zinc/85/12/19/1067851219.db2.gz UBPKFCNPBJFFSY-LJQANCHMSA-N 0 0 477.631 0.720 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000728573748 1067851319 /nfs/dbraw/zinc/85/13/19/1067851319.db2.gz UGYHBWLTNKNANU-UHFFFAOYSA-N 0 0 491.614 0.175 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 ZINC000728573755 1067851164 /nfs/dbraw/zinc/85/11/64/1067851164.db2.gz UNGLGPZJLMVNNM-UHFFFAOYSA-N 0 0 475.615 0.475 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000728573808 1067851183 /nfs/dbraw/zinc/85/11/83/1067851183.db2.gz VQLZERUVVTXJTE-UHFFFAOYSA-N 0 0 463.604 0.331 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(I)cc2C)CC1 ZINC000728573855 1067851327 /nfs/dbraw/zinc/85/13/27/1067851327.db2.gz YDNVDEBOYZKGAJ-UHFFFAOYSA-N 0 0 454.312 0.905 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000728573865 1067851202 /nfs/dbraw/zinc/85/12/02/1067851202.db2.gz YRTHELDFWNKOEH-IBGZPJMESA-N 0 0 475.615 0.555 20 30 JCEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000728573866 1067851384 /nfs/dbraw/zinc/85/13/84/1067851384.db2.gz YRTHELDFWNKOEH-LJQANCHMSA-N 0 0 475.615 0.555 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)CC1 ZINC000728579275 1067852678 /nfs/dbraw/zinc/85/26/78/1067852678.db2.gz SBVFLNCJURORLE-UHFFFAOYSA-N 0 0 478.340 0.983 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000728589337 1067858126 /nfs/dbraw/zinc/85/81/26/1067858126.db2.gz BCNJHNHUZJTDLH-UHFFFAOYSA-N 0 0 491.591 0.818 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000728589404 1067857980 /nfs/dbraw/zinc/85/79/80/1067857980.db2.gz FIHUOFVJPNEFRA-UHFFFAOYSA-N 0 0 458.334 0.291 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)CC1 ZINC000728589538 1067858607 /nfs/dbraw/zinc/85/86/07/1067858607.db2.gz GTRNKTYYPLMXME-UHFFFAOYSA-N 0 0 492.779 0.945 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2Br)CC1 ZINC000728589575 1067859094 /nfs/dbraw/zinc/85/90/94/1067859094.db2.gz IISJEBUWKZUAFK-UHFFFAOYSA-N 0 0 472.361 0.682 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000728589600 1067859203 /nfs/dbraw/zinc/85/92/03/1067859203.db2.gz ITDCBDYGSAZKLB-KDURUIRLSA-N 0 0 496.655 0.409 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000728589602 1067858982 /nfs/dbraw/zinc/85/89/82/1067858982.db2.gz ITDCBDYGSAZKLB-OALUTQOASA-N 0 0 496.655 0.409 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000728589604 1067859086 /nfs/dbraw/zinc/85/90/86/1067859086.db2.gz ITDCBDYGSAZKLB-RTBURBONSA-N 0 0 496.655 0.409 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 ZINC000728589660 1067859029 /nfs/dbraw/zinc/85/90/29/1067859029.db2.gz JWWAHWKRFHKMFX-UHFFFAOYSA-N 0 0 491.035 0.426 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000728589670 1067859153 /nfs/dbraw/zinc/85/91/53/1067859153.db2.gz KFYMUDVLAIBOMU-UHFFFAOYSA-N 0 0 460.350 0.522 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)CC1 ZINC000728589801 1067858473 /nfs/dbraw/zinc/85/84/73/1067858473.db2.gz KTTHUIBGKWMWSA-UHFFFAOYSA-N 0 0 456.590 0.039 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1 ZINC000728589968 1067858680 /nfs/dbraw/zinc/85/86/80/1067858680.db2.gz ORDZYNGDBYJRBX-UHFFFAOYSA-N 0 0 484.365 0.595 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)CC1 ZINC000728589969 1067858443 /nfs/dbraw/zinc/85/84/43/1067858443.db2.gz OUCCFBWWYWZJSC-UHFFFAOYSA-N 0 0 458.334 0.291 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2Br)CC1 ZINC000728589989 1067858436 /nfs/dbraw/zinc/85/84/36/1067858436.db2.gz QCBQGKDVAOYOFU-UHFFFAOYSA-N 0 0 472.361 0.682 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 ZINC000728590005 1067858567 /nfs/dbraw/zinc/85/85/67/1067858567.db2.gz RDYQXROYDVNMEN-UHFFFAOYSA-N 0 0 471.539 0.398 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 ZINC000728590156 1067858577 /nfs/dbraw/zinc/85/85/77/1067858577.db2.gz UEAHLSJOUNQZPK-UHFFFAOYSA-N 0 0 458.334 0.276 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 ZINC000728590157 1067858501 /nfs/dbraw/zinc/85/85/01/1067858501.db2.gz UEFZWEFOSBZHIP-UHFFFAOYSA-N 0 0 483.388 0.414 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3sc(C(=O)OCC)c(C)c3c2)CC1 ZINC000728590172 1067858543 /nfs/dbraw/zinc/85/85/43/1067858543.db2.gz UYGYEWZOIBZLDH-UHFFFAOYSA-N 0 0 464.569 0.837 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)CC1 ZINC000728590227 1067858558 /nfs/dbraw/zinc/85/85/58/1067858558.db2.gz XUFJFQKOGPORHZ-UHFFFAOYSA-N 0 0 476.324 0.431 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 ZINC000728608490 1067879013 /nfs/dbraw/zinc/87/90/13/1067879013.db2.gz CNUOGQLLAVWBCP-RUZDIDTESA-N 0 0 461.522 0.500 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 ZINC000728608491 1067878758 /nfs/dbraw/zinc/87/87/58/1067878758.db2.gz CNUOGQLLAVWBCP-VWLOTQADSA-N 0 0 461.522 0.500 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCN2C(=S)N=NC2c2ccc(OCC)cc2)CC1 ZINC000728608502 1067878913 /nfs/dbraw/zinc/87/89/13/1067878913.db2.gz DLIHIPJPVANKRC-UHFFFAOYSA-N 0 0 456.572 0.916 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 ZINC000728608705 1067878828 /nfs/dbraw/zinc/87/88/28/1067878828.db2.gz QOOKKZPCFVQACH-UHFFFAOYSA-N 0 0 484.534 0.723 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 ZINC000728608852 1067878744 /nfs/dbraw/zinc/87/87/44/1067878744.db2.gz STFKYGMAULAMSW-UHFFFAOYSA-N 0 0 485.566 0.076 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000728626302 1067896087 /nfs/dbraw/zinc/89/60/87/1067896087.db2.gz CHSKTCSQAGCLMT-UHFFFAOYSA-N 0 0 463.903 0.879 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnc(N)c(Cl)c2)CC1 ZINC000728628734 1067898788 /nfs/dbraw/zinc/89/87/88/1067898788.db2.gz JUVAVADFXWMGFJ-UHFFFAOYSA-N 0 0 463.903 0.879 20 30 JCEDRN CN(C)C(=O)c1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000728641373 1067904624 /nfs/dbraw/zinc/90/46/24/1067904624.db2.gz BNWJFJKIMWHNRA-UHFFFAOYSA-N 0 0 484.534 0.950 20 30 JCEDRN CNC(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000728677132 1067932649 /nfs/dbraw/zinc/93/26/49/1067932649.db2.gz DEUQNEKMZZKACR-UHFFFAOYSA-N 0 0 471.495 0.003 20 30 JCEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000728686693 1067940831 /nfs/dbraw/zinc/94/08/31/1067940831.db2.gz WIBOAWCSRYPLLH-UHFFFAOYSA-N 0 0 489.642 0.945 20 30 JCEDRN CCOC(=O)C=c1sc(=Cc2ccc(O[C@@H](C)C#N)cc2)c(=O)n1CC(=O)N1CCOCC1 ZINC000728695996 1067942697 /nfs/dbraw/zinc/94/26/97/1067942697.db2.gz KFHOHKCETAWVMI-INIZCTEOSA-N 0 0 471.535 0.232 20 30 JCEDRN CCOC(=O)C=c1sc(=Cc2ccc(O[C@H](C)C#N)cc2)c(=O)n1CC(=O)N1CCOCC1 ZINC000728695997 1067942627 /nfs/dbraw/zinc/94/26/27/1067942627.db2.gz KFHOHKCETAWVMI-MRXNPFEDSA-N 0 0 471.535 0.232 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000728718110 1067952114 /nfs/dbraw/zinc/95/21/14/1067952114.db2.gz BLAGTQCAQJYMSQ-AWEZNQCLSA-N 0 0 462.322 0.394 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000728718116 1067952139 /nfs/dbraw/zinc/95/21/39/1067952139.db2.gz BLAGTQCAQJYMSQ-CQSZACIVSA-N 0 0 462.322 0.394 20 30 JCEDRN N#Cc1ccc(CNC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000728720401 1067953564 /nfs/dbraw/zinc/95/35/64/1067953564.db2.gz LBSMOZLKHHUHIF-KRWDZBQOSA-N 0 0 496.339 0.820 20 30 JCEDRN N#Cc1ccc(CNC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000728720402 1067953662 /nfs/dbraw/zinc/95/36/62/1067953662.db2.gz LBSMOZLKHHUHIF-QGZVFWFLSA-N 0 0 496.339 0.820 20 30 JCEDRN N#Cc1cccc(CNC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000728720588 1069710113 /nfs/dbraw/zinc/71/01/13/1069710113.db2.gz LIEUJZHVXYQIMK-KRWDZBQOSA-N 0 0 496.339 0.820 20 30 JCEDRN N#Cc1cccc(CNC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000728720589 1067954041 /nfs/dbraw/zinc/95/40/41/1067954041.db2.gz LIEUJZHVXYQIMK-QGZVFWFLSA-N 0 0 496.339 0.820 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000728720641 1067954011 /nfs/dbraw/zinc/95/40/11/1067954011.db2.gz MGJBHTPGWWGWCV-DOMZBBRYSA-N 0 0 476.349 0.640 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000728720642 1067954045 /nfs/dbraw/zinc/95/40/45/1067954045.db2.gz MGJBHTPGWWGWCV-IUODEOHRSA-N 0 0 476.349 0.640 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000728720643 1067954069 /nfs/dbraw/zinc/95/40/69/1067954069.db2.gz MGJBHTPGWWGWCV-SWLSCSKDSA-N 0 0 476.349 0.640 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000728720644 1067954043 /nfs/dbraw/zinc/95/40/43/1067954043.db2.gz MGJBHTPGWWGWCV-WFASDCNBSA-N 0 0 476.349 0.640 20 30 JCEDRN CN(C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(C)(C)C#N ZINC000728721412 1067954028 /nfs/dbraw/zinc/95/40/28/1067954028.db2.gz SGOXIJMJLPWXPV-CYBMUJFWSA-N 0 0 462.322 0.392 20 30 JCEDRN CN(C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(C)(C)C#N ZINC000728721413 1067954014 /nfs/dbraw/zinc/95/40/14/1067954014.db2.gz SGOXIJMJLPWXPV-ZDUSSCGKSA-N 0 0 462.322 0.392 20 30 JCEDRN C[C@@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N ZINC000728721689 1067955112 /nfs/dbraw/zinc/95/51/12/1067955112.db2.gz WHIDUOAMEFJDDH-BXUZGUMPSA-N 0 0 462.322 0.392 20 30 JCEDRN C[C@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N ZINC000728721690 1067955143 /nfs/dbraw/zinc/95/51/43/1067955143.db2.gz WHIDUOAMEFJDDH-FZMZJTMJSA-N 0 0 462.322 0.392 20 30 JCEDRN C[C@@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N ZINC000728721691 1067955119 /nfs/dbraw/zinc/95/51/19/1067955119.db2.gz WHIDUOAMEFJDDH-RISCZKNCSA-N 0 0 462.322 0.392 20 30 JCEDRN C[C@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC#N ZINC000728721692 1067955171 /nfs/dbraw/zinc/95/51/71/1067955171.db2.gz WHIDUOAMEFJDDH-SMDDNHRTSA-N 0 0 462.322 0.392 20 30 JCEDRN CC(C)CCC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000728731050 1067957339 /nfs/dbraw/zinc/95/73/39/1067957339.db2.gz CCDCQZUTCGGDSF-UHFFFAOYSA-N 0 0 464.544 0.487 20 30 JCEDRN COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCO1 ZINC000728757981 1067970032 /nfs/dbraw/zinc/97/00/32/1067970032.db2.gz SZBJOQPKYINQKS-JKRPTORDSA-N 0 0 480.543 0.619 20 30 JCEDRN COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCO1 ZINC000728757991 1067970366 /nfs/dbraw/zinc/97/03/66/1067970366.db2.gz SZBJOQPKYINQKS-SPJFCROGSA-N 0 0 480.543 0.619 20 30 JCEDRN COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCO1 ZINC000728757993 1067970344 /nfs/dbraw/zinc/97/03/44/1067970344.db2.gz SZBJOQPKYINQKS-USMQXWLVSA-N 0 0 480.543 0.619 20 30 JCEDRN COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCO1 ZINC000728757997 1067970326 /nfs/dbraw/zinc/97/03/26/1067970326.db2.gz SZBJOQPKYINQKS-XBYUIDQRSA-N 0 0 480.543 0.619 20 30 JCEDRN COC(=O)CN1CCN(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000728834006 1068044001 /nfs/dbraw/zinc/04/40/01/1068044001.db2.gz MAQGPLYYTGHTIA-UHFFFAOYSA-N 0 0 471.539 0.659 20 30 JCEDRN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728883664 1068063096 /nfs/dbraw/zinc/06/30/96/1068063096.db2.gz PGNUNJPLHSEEDS-INIZCTEOSA-N 0 0 461.588 0.707 20 30 JCEDRN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728883668 1068062834 /nfs/dbraw/zinc/06/28/34/1068062834.db2.gz PGNUNJPLHSEEDS-MRXNPFEDSA-N 0 0 461.588 0.707 20 30 JCEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728888809 1068069068 /nfs/dbraw/zinc/06/90/68/1068069068.db2.gz GLONXWMEBBZQRP-KRWDZBQOSA-N 0 0 479.603 0.191 20 30 JCEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728888810 1068069324 /nfs/dbraw/zinc/06/93/24/1068069324.db2.gz GLONXWMEBBZQRP-QGZVFWFLSA-N 0 0 479.603 0.191 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)ccc1F ZINC000728888840 1068069116 /nfs/dbraw/zinc/06/91/16/1068069116.db2.gz HDWVSYGVXLAANW-INIZCTEOSA-N 0 0 470.567 0.589 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)ccc1F ZINC000728888841 1068069338 /nfs/dbraw/zinc/06/93/38/1068069338.db2.gz HDWVSYGVXLAANW-MRXNPFEDSA-N 0 0 470.567 0.589 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(F)(F)F)cc3)n(CC(N)=O)c2=O)cn1 ZINC000728899005 1068081443 /nfs/dbraw/zinc/08/14/43/1068081443.db2.gz STTFJJWMDAPREC-UHFFFAOYSA-N 0 0 461.425 0.533 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc2)CC1 ZINC000728913582 1068100628 /nfs/dbraw/zinc/10/06/28/1068100628.db2.gz COSCJKAWHFKTAG-HNNXBMFYSA-N 0 0 450.517 0.457 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc2)CC1 ZINC000728913583 1068100432 /nfs/dbraw/zinc/10/04/32/1068100432.db2.gz COSCJKAWHFKTAG-OAHLLOKOSA-N 0 0 450.517 0.457 20 30 JCEDRN N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1Cl ZINC000728915511 1068118312 /nfs/dbraw/zinc/11/83/12/1068118312.db2.gz VJJFYTHXPQCKNC-INIZCTEOSA-N 0 0 474.992 0.675 20 30 JCEDRN N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl ZINC000728915512 1068118234 /nfs/dbraw/zinc/11/82/34/1068118234.db2.gz VJJFYTHXPQCKNC-MRXNPFEDSA-N 0 0 474.992 0.675 20 30 JCEDRN N#Cc1c2c(sc1NC(=O)CCN1CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC1)CCC2 ZINC000728915517 1068118401 /nfs/dbraw/zinc/11/84/01/1068118401.db2.gz VRHRQMJUZKDKFY-AWEZNQCLSA-N 0 0 486.641 0.572 20 30 JCEDRN N#Cc1c2c(sc1NC(=O)CCN1CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC1)CCC2 ZINC000728915518 1068118303 /nfs/dbraw/zinc/11/83/03/1068118303.db2.gz VRHRQMJUZKDKFY-CQSZACIVSA-N 0 0 486.641 0.572 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000728969170 1068200406 /nfs/dbraw/zinc/20/04/06/1068200406.db2.gz MWVJGOOMGLDGRW-FQEVSTJZSA-N 0 0 453.543 0.857 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000728969172 1068200379 /nfs/dbraw/zinc/20/03/79/1068200379.db2.gz MWVJGOOMGLDGRW-HXUWFJFHSA-N 0 0 453.543 0.857 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nc1 ZINC000729006889 1068201566 /nfs/dbraw/zinc/20/15/66/1068201566.db2.gz NOMYGQHVRLXDHO-UHFFFAOYSA-N 0 0 459.480 0.888 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 ZINC000729008389 1068202097 /nfs/dbraw/zinc/20/20/97/1068202097.db2.gz BDHRQCAXTIUSNY-UHFFFAOYSA-N 0 0 471.491 0.524 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 ZINC000729008880 1068202041 /nfs/dbraw/zinc/20/20/41/1068202041.db2.gz JISDNPGBSXSSAW-UHFFFAOYSA-N 0 0 485.518 0.914 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)nc1 ZINC000729009046 1068202083 /nfs/dbraw/zinc/20/20/83/1068202083.db2.gz PMJIBDHSAWFINV-UHFFFAOYSA-N 0 0 455.492 0.955 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)nc1 ZINC000729009051 1068201907 /nfs/dbraw/zinc/20/19/07/1068201907.db2.gz PRXHWWKFKFKZCT-UHFFFAOYSA-N 0 0 455.492 0.955 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(C#C)cn3)CC2)nc1 ZINC000729009428 1068201981 /nfs/dbraw/zinc/20/19/81/1068201981.db2.gz VTOQZPFDTCIWKI-UHFFFAOYSA-N 0 0 460.446 0.124 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc1 ZINC000729011646 1068202071 /nfs/dbraw/zinc/20/20/71/1068202071.db2.gz AAZUZLOWFNWKSA-UHFFFAOYSA-N 0 0 477.477 0.792 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000729011649 1068202057 /nfs/dbraw/zinc/20/20/57/1068202057.db2.gz ACBKLJITASJNHM-UHFFFAOYSA-N 0 0 458.452 0.661 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000729012049 1068201873 /nfs/dbraw/zinc/20/18/73/1068201873.db2.gz JMSOIMUMUQYRSB-UHFFFAOYSA-N 0 0 458.452 0.661 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc1 ZINC000729012274 1068201971 /nfs/dbraw/zinc/20/19/71/1068201971.db2.gz MTHVKOGRVIRSEB-UHFFFAOYSA-N 0 0 459.480 0.888 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc1 ZINC000729012646 1068201920 /nfs/dbraw/zinc/20/19/20/1068201920.db2.gz RRXHIJYCENWZAQ-UHFFFAOYSA-N 0 0 473.507 0.770 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc1 ZINC000729012681 1068202028 /nfs/dbraw/zinc/20/20/28/1068202028.db2.gz SIUQPYLLORYFNM-UHFFFAOYSA-N 0 0 473.507 0.770 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cn1 ZINC000729029818 1068202519 /nfs/dbraw/zinc/20/25/19/1068202519.db2.gz IVKKJSTXFOVLBD-UHFFFAOYSA-N 0 0 459.480 0.888 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cn1 ZINC000729030093 1068203072 /nfs/dbraw/zinc/20/30/72/1068203072.db2.gz AECWTCJLMYVLJX-UHFFFAOYSA-N 0 0 473.507 0.770 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cn1 ZINC000729030271 1068203126 /nfs/dbraw/zinc/20/31/26/1068203126.db2.gz DFNGFTGAYFRNJP-UHFFFAOYSA-N 0 0 473.507 0.770 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cn1 ZINC000729030299 1068203218 /nfs/dbraw/zinc/20/32/18/1068203218.db2.gz QEDCOXQFOJJNAB-UHFFFAOYSA-N 0 0 477.477 0.792 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 ZINC000729030439 1069903700 /nfs/dbraw/zinc/90/37/00/1069903700.db2.gz ILYYDHQPKSBOCE-UHFFFAOYSA-N 0 0 471.491 0.524 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000729030761 1068203120 /nfs/dbraw/zinc/20/31/20/1068203120.db2.gz FWDYRFCJHSKAJJ-UHFFFAOYSA-N 0 0 458.452 0.661 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000729030780 1068203161 /nfs/dbraw/zinc/20/31/61/1068203161.db2.gz GPKYQANKFVPJLB-UHFFFAOYSA-N 0 0 458.452 0.661 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(C#C)nc3)CC2)cn1 ZINC000729031096 1068204061 /nfs/dbraw/zinc/20/40/61/1068204061.db2.gz VMPLGDWSJDXRBT-UHFFFAOYSA-N 0 0 460.446 0.124 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cn1 ZINC000729031348 1068204042 /nfs/dbraw/zinc/20/40/42/1068204042.db2.gz GNVOZWQDUXEZST-UHFFFAOYSA-N 0 0 485.518 0.914 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cn1 ZINC000729031551 1068202575 /nfs/dbraw/zinc/20/25/75/1068202575.db2.gz LDLSCWSTFCIKCK-UHFFFAOYSA-N 0 0 455.492 0.955 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cn1 ZINC000729031760 1068203114 /nfs/dbraw/zinc/20/31/14/1068203114.db2.gz QISJHCRSHLLEFR-UHFFFAOYSA-N 0 0 459.480 0.888 20 30 JCEDRN C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cn1 ZINC000729031959 1068204071 /nfs/dbraw/zinc/20/40/71/1068204071.db2.gz VGXIDXPFOLPGIH-UHFFFAOYSA-N 0 0 455.492 0.955 20 30 JCEDRN COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 ZINC000729055392 1068206110 /nfs/dbraw/zinc/20/61/10/1068206110.db2.gz BINMMGCUAIOBLE-UHFFFAOYSA-N 0 0 491.552 0.536 20 30 JCEDRN COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 ZINC000729055581 1068206134 /nfs/dbraw/zinc/20/61/34/1068206134.db2.gz FVWYROOVAVCFEF-UHFFFAOYSA-N 0 0 491.552 0.536 20 30 JCEDRN COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 ZINC000729055584 1068206071 /nfs/dbraw/zinc/20/60/71/1068206071.db2.gz GAUMBAKOVYKGQY-UHFFFAOYSA-N 0 0 491.552 0.536 20 30 JCEDRN COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 ZINC000729056163 1068207946 /nfs/dbraw/zinc/20/79/46/1068207946.db2.gz DZDCOKQEHKPMFM-UHFFFAOYSA-N 0 0 465.514 0.415 20 30 JCEDRN COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 ZINC000729061000 1068207421 /nfs/dbraw/zinc/20/74/21/1068207421.db2.gz PAKRKOGMHAIQRJ-UHFFFAOYSA-N 0 0 465.514 0.415 20 30 JCEDRN COc1ccc(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000729119239 1068213252 /nfs/dbraw/zinc/21/32/52/1068213252.db2.gz PUUWQGQTBOAPPX-HNNXBMFYSA-N 0 0 453.517 0.562 20 30 JCEDRN COc1ccc(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000729119240 1068213132 /nfs/dbraw/zinc/21/31/32/1068213132.db2.gz PUUWQGQTBOAPPX-OAHLLOKOSA-N 0 0 453.517 0.562 20 30 JCEDRN Cc1[nH]c2ccnn2c(=O)c1CC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729186760 1068216828 /nfs/dbraw/zinc/21/68/28/1068216828.db2.gz ONFKZLLERMTORC-GOSISDBHSA-N 0 0 463.454 0.839 20 30 JCEDRN Cc1[nH]c2ccnn2c(=O)c1CC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729186761 1068216706 /nfs/dbraw/zinc/21/67/06/1068216706.db2.gz ONFKZLLERMTORC-SFHVURJKSA-N 0 0 463.454 0.839 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000729207972 1068218877 /nfs/dbraw/zinc/21/88/77/1068218877.db2.gz OGXWYHDALCGHFO-UHFFFAOYSA-N 0 0 492.540 0.245 20 30 JCEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000729208189 1068223992 /nfs/dbraw/zinc/22/39/92/1068223992.db2.gz XYIRWCCQNCQOIL-UHFFFAOYSA-N 0 0 464.482 0.959 20 30 JCEDRN C=CCOc1ccc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1OC ZINC000729209616 1068225191 /nfs/dbraw/zinc/22/51/91/1068225191.db2.gz WWGYBVTXVDOESL-UHFFFAOYSA-N 0 0 456.499 0.969 20 30 JCEDRN C[C@H](OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N(C)CCC#N ZINC000729235084 1068226817 /nfs/dbraw/zinc/22/68/17/1068226817.db2.gz CBLIGEHPKKNMOV-KRWDZBQOSA-N 0 0 464.544 0.603 20 30 JCEDRN C[C@@H](OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N(C)CCC#N ZINC000729235085 1068227069 /nfs/dbraw/zinc/22/70/69/1068227069.db2.gz CBLIGEHPKKNMOV-QGZVFWFLSA-N 0 0 464.544 0.603 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O[C@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000729235153 1068227767 /nfs/dbraw/zinc/22/77/67/1068227767.db2.gz UNSRMVOWSFRCFC-GOSISDBHSA-N 0 0 478.571 0.912 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000729235154 1068228229 /nfs/dbraw/zinc/22/82/29/1068228229.db2.gz UNSRMVOWSFRCFC-SFHVURJKSA-N 0 0 478.571 0.912 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000729253412 1068233704 /nfs/dbraw/zinc/23/37/04/1068233704.db2.gz HEOGWGXFFTXNNA-UHFFFAOYSA-N 0 0 457.556 0.871 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000729255664 1068233403 /nfs/dbraw/zinc/23/34/03/1068233403.db2.gz ACFPCIBBGAOPDX-UHFFFAOYSA-N 0 0 475.615 0.702 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)CC1 ZINC000729256555 1068234317 /nfs/dbraw/zinc/23/43/17/1068234317.db2.gz BKVYEGWBGOWTPQ-UHFFFAOYSA-N 0 0 456.572 0.726 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 ZINC000729256595 1068234139 /nfs/dbraw/zinc/23/41/39/1068234139.db2.gz CDMKKTYOMFZZNX-UHFFFAOYSA-N 0 0 459.591 0.797 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 ZINC000729256653 1068234208 /nfs/dbraw/zinc/23/42/08/1068234208.db2.gz DGMWZWBYDDNSLP-UHFFFAOYSA-N 0 0 469.571 0.443 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000729256728 1068234275 /nfs/dbraw/zinc/23/42/75/1068234275.db2.gz FINMLBFFMCDITQ-UHFFFAOYSA-N 0 0 474.359 0.833 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000729256734 1068234296 /nfs/dbraw/zinc/23/42/96/1068234296.db2.gz FRJBFVBONUFBDT-GOSISDBHSA-N 0 0 466.629 0.741 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000729256735 1068234239 /nfs/dbraw/zinc/23/42/39/1068234239.db2.gz FRJBFVBONUFBDT-SFHVURJKSA-N 0 0 466.629 0.741 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 ZINC000729256821 1068233441 /nfs/dbraw/zinc/23/34/41/1068233441.db2.gz JCSQGJHCRPZGJE-UHFFFAOYSA-N 0 0 456.952 0.419 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000729256897 1068233686 /nfs/dbraw/zinc/23/36/86/1068233686.db2.gz LVQSILBSPZWSFL-UHFFFAOYSA-N 0 0 450.536 0.508 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000729256915 1068233652 /nfs/dbraw/zinc/23/36/52/1068233652.db2.gz MMPIWPXYWJOGDZ-GOSISDBHSA-N 0 0 464.563 0.510 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000729256916 1068234093 /nfs/dbraw/zinc/23/40/93/1068234093.db2.gz MMPIWPXYWJOGDZ-SFHVURJKSA-N 0 0 464.563 0.510 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000729256922 1068234325 /nfs/dbraw/zinc/23/43/25/1068234325.db2.gz MUCNYAOKPOTZQG-UHFFFAOYSA-N 0 0 452.602 0.359 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC)CC1 ZINC000729256925 1068233490 /nfs/dbraw/zinc/23/34/90/1068233490.db2.gz MXJJDOCTKFXIOH-UHFFFAOYSA-N 0 0 454.531 0.538 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 ZINC000729256990 1068233580 /nfs/dbraw/zinc/23/35/80/1068233580.db2.gz PSZBIIPWNCPGHD-UHFFFAOYSA-N 0 0 475.615 0.434 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 ZINC000729257158 1068234229 /nfs/dbraw/zinc/23/42/29/1068234229.db2.gz UUHICCCYBDVTBB-UHFFFAOYSA-N 0 0 452.471 0.346 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000729257237 1068234791 /nfs/dbraw/zinc/23/47/91/1068234791.db2.gz XLSOXPKFEDHICH-UHFFFAOYSA-N 0 0 476.599 0.167 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)CC1 ZINC000729257261 1068235211 /nfs/dbraw/zinc/23/52/11/1068235211.db2.gz YSBAEKWVHXZTAD-UHFFFAOYSA-N 0 0 452.515 0.292 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CCC)CC1 ZINC000729257264 1068235013 /nfs/dbraw/zinc/23/50/13/1068235013.db2.gz YUQMQWQFWJIUGS-UHFFFAOYSA-N 0 0 468.558 0.928 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CC1 ZINC000729257277 1068235122 /nfs/dbraw/zinc/23/51/22/1068235122.db2.gz ZRSWWRJVHXOCGB-UHFFFAOYSA-N 0 0 465.480 0.976 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000729257281 1068234908 /nfs/dbraw/zinc/23/49/08/1068234908.db2.gz ZVNHNTNMWHNKIA-UHFFFAOYSA-N 0 0 482.553 0.649 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000729257389 1068234960 /nfs/dbraw/zinc/23/49/60/1068234960.db2.gz AOPJKTKSJXHLNH-UHFFFAOYSA-N 0 0 476.599 0.380 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000729257425 1068234845 /nfs/dbraw/zinc/23/48/45/1068234845.db2.gz DIEPTEQUEAZWMR-UHFFFAOYSA-N 0 0 458.540 0.655 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000729257466 1069931508 /nfs/dbraw/zinc/93/15/08/1069931508.db2.gz GKXJUVNCYLSBMH-UHFFFAOYSA-N 0 0 466.629 0.749 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000729257591 1068235079 /nfs/dbraw/zinc/23/50/79/1068235079.db2.gz HZGHNKPJMDKJOF-UHFFFAOYSA-N 0 0 464.563 0.898 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000729257630 1068234876 /nfs/dbraw/zinc/23/48/76/1068234876.db2.gz KMMKJOAZZHJGTI-KDURUIRLSA-N 0 0 476.599 0.382 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000729257631 1068235186 /nfs/dbraw/zinc/23/51/86/1068235186.db2.gz KMMKJOAZZHJGTI-OALUTQOASA-N 0 0 476.599 0.382 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000729257632 1068235220 /nfs/dbraw/zinc/23/52/20/1068235220.db2.gz KMMKJOAZZHJGTI-RTBURBONSA-N 0 0 476.599 0.382 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000729257649 1068235028 /nfs/dbraw/zinc/23/50/28/1068235028.db2.gz LQOGQOHFKNUAIH-UHFFFAOYSA-N 0 0 460.600 0.679 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 ZINC000729257651 1068235154 /nfs/dbraw/zinc/23/51/54/1068235154.db2.gz LVBLKZDZRFTJPV-UHFFFAOYSA-N 0 0 488.614 0.040 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000729257816 1068234167 /nfs/dbraw/zinc/23/41/67/1068234167.db2.gz QPPJYTHFDUSFDP-UHFFFAOYSA-N 0 0 486.638 0.860 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000729257854 1068234188 /nfs/dbraw/zinc/23/41/88/1068234188.db2.gz UBJQYEWAZYSPPU-UHFFFAOYSA-N 0 0 450.561 0.279 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 ZINC000729257874 1068234747 /nfs/dbraw/zinc/23/47/47/1068234747.db2.gz VPBPBHJZZOEZPF-UHFFFAOYSA-N 0 0 474.627 0.988 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000729257954 1068234262 /nfs/dbraw/zinc/23/42/62/1068234262.db2.gz XLQNVAKQTORDET-UHFFFAOYSA-N 0 0 464.588 0.623 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000729257966 1068234235 /nfs/dbraw/zinc/23/42/35/1068234235.db2.gz YCUNYKVRWPVUBO-UHFFFAOYSA-N 0 0 485.404 0.597 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000729257977 1068234028 /nfs/dbraw/zinc/23/40/28/1068234028.db2.gz YOTTXAOQMDFUKG-FQEVSTJZSA-N 0 0 470.570 0.379 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000729257979 1068234152 /nfs/dbraw/zinc/23/41/52/1068234152.db2.gz YOTTXAOQMDFUKG-HXUWFJFHSA-N 0 0 470.570 0.379 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 ZINC000729259178 1068235688 /nfs/dbraw/zinc/23/56/88/1068235688.db2.gz JOTBDRNUDGPOAE-UHFFFAOYSA-N 0 0 451.368 0.218 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000729270551 1068235870 /nfs/dbraw/zinc/23/58/70/1068235870.db2.gz AXUJUPNRGLJLGF-INIZCTEOSA-N 0 0 456.590 0.811 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000729270552 1068235805 /nfs/dbraw/zinc/23/58/05/1068235805.db2.gz AXUJUPNRGLJLGF-MRXNPFEDSA-N 0 0 456.590 0.811 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000729271465 1068236837 /nfs/dbraw/zinc/23/68/37/1068236837.db2.gz RDBISOGEJVOSIT-HOTGVXAUSA-N 0 0 463.560 0.137 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000729271467 1068236944 /nfs/dbraw/zinc/23/69/44/1068236944.db2.gz RDBISOGEJVOSIT-JKSUJKDBSA-N 0 0 463.560 0.137 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000729281676 1068238676 /nfs/dbraw/zinc/23/86/76/1068238676.db2.gz MEDHNXOLCUVNLZ-IBGZPJMESA-N 0 0 462.572 0.041 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000729281678 1068238818 /nfs/dbraw/zinc/23/88/18/1068238818.db2.gz MEDHNXOLCUVNLZ-LJQANCHMSA-N 0 0 462.572 0.041 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 ZINC000729281718 1068238754 /nfs/dbraw/zinc/23/87/54/1068238754.db2.gz NDEVUOHCCNNRBV-ODLFYWEKSA-N 0 0 472.611 0.983 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000729281721 1068238599 /nfs/dbraw/zinc/23/85/99/1068238599.db2.gz NDEVUOHCCNNRBV-YBFXNURJSA-N 0 0 472.611 0.983 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729286619 1068239377 /nfs/dbraw/zinc/23/93/77/1068239377.db2.gz DLRBXPRCKXQPKA-FMKPAKJESA-N 0 0 485.584 0.375 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729286620 1068239395 /nfs/dbraw/zinc/23/93/95/1068239395.db2.gz DLRBXPRCKXQPKA-YCPHGPKFSA-N 0 0 485.584 0.375 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729286625 1068239310 /nfs/dbraw/zinc/23/93/10/1068239310.db2.gz FJECDRUDASCDKE-VYDXJSESSA-N 0 0 499.611 0.717 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c2)CC1 ZINC000729306436 1068241386 /nfs/dbraw/zinc/24/13/86/1068241386.db2.gz MCVJTWBCWFETMQ-HNNXBMFYSA-N 0 0 450.517 0.457 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)c2)CC1 ZINC000729306437 1068241279 /nfs/dbraw/zinc/24/12/79/1068241279.db2.gz MCVJTWBCWFETMQ-OAHLLOKOSA-N 0 0 450.517 0.457 20 30 JCEDRN N#CCn1c(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 ZINC000729321521 1068242646 /nfs/dbraw/zinc/24/26/46/1068242646.db2.gz DJIFTEFOTQIUIC-INIZCTEOSA-N 0 0 450.542 0.440 20 30 JCEDRN N#CCn1c(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 ZINC000729321522 1068242408 /nfs/dbraw/zinc/24/24/08/1068242408.db2.gz DJIFTEFOTQIUIC-MRXNPFEDSA-N 0 0 450.542 0.440 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000729322173 1068241290 /nfs/dbraw/zinc/24/12/90/1068241290.db2.gz BZQBQJGUFDNHIS-BJUXRVGASA-N 0 0 477.587 0.619 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000729322176 1068242568 /nfs/dbraw/zinc/24/25/68/1068242568.db2.gz BZQBQJGUFDNHIS-DJUDNFEDSA-N 0 0 477.587 0.619 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000729322180 1068242515 /nfs/dbraw/zinc/24/25/15/1068242515.db2.gz BZQBQJGUFDNHIS-OCLJWFPGSA-N 0 0 477.587 0.619 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000729322182 1068242604 /nfs/dbraw/zinc/24/26/04/1068242604.db2.gz BZQBQJGUFDNHIS-OVJLLXBISA-N 0 0 477.587 0.619 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000729323665 1068243165 /nfs/dbraw/zinc/24/31/65/1068243165.db2.gz SVJINZMSILHDSS-BJUXRVGASA-N 0 0 477.587 0.619 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000729323666 1068243012 /nfs/dbraw/zinc/24/30/12/1068243012.db2.gz SVJINZMSILHDSS-DJUDNFEDSA-N 0 0 477.587 0.619 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000729323667 1068243206 /nfs/dbraw/zinc/24/32/06/1068243206.db2.gz SVJINZMSILHDSS-OCLJWFPGSA-N 0 0 477.587 0.619 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000729323668 1068243057 /nfs/dbraw/zinc/24/30/57/1068243057.db2.gz SVJINZMSILHDSS-OVJLLXBISA-N 0 0 477.587 0.619 20 30 JCEDRN C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729330360 1068243709 /nfs/dbraw/zinc/24/37/09/1068243709.db2.gz BQPWBNINKALYJD-IBGZPJMESA-N 0 0 495.623 0.257 20 30 JCEDRN C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330362 1068245737 /nfs/dbraw/zinc/24/57/37/1068245737.db2.gz BQPWBNINKALYJD-LJQANCHMSA-N 0 0 495.623 0.257 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729330511 1068245801 /nfs/dbraw/zinc/24/58/01/1068245801.db2.gz AVXXSHRKSYGNHI-KRWDZBQOSA-N 0 0 484.596 0.753 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330516 1068245861 /nfs/dbraw/zinc/24/58/61/1068245861.db2.gz AVXXSHRKSYGNHI-QGZVFWFLSA-N 0 0 484.596 0.753 20 30 JCEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729330620 1068245818 /nfs/dbraw/zinc/24/58/18/1068245818.db2.gz GKXGBBHYXIEUDM-BQFCYCMXSA-N 0 0 454.570 0.747 20 30 JCEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729330624 1068245707 /nfs/dbraw/zinc/24/57/07/1068245707.db2.gz GKXGBBHYXIEUDM-JZXOWHBKSA-N 0 0 454.570 0.747 20 30 JCEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330625 1068245758 /nfs/dbraw/zinc/24/57/58/1068245758.db2.gz GKXGBBHYXIEUDM-SOLBZPMBSA-N 0 0 454.570 0.747 20 30 JCEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330626 1068245871 /nfs/dbraw/zinc/24/58/71/1068245871.db2.gz GKXGBBHYXIEUDM-XYJFISCASA-N 0 0 454.570 0.747 20 30 JCEDRN C#CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000729330671 1068245781 /nfs/dbraw/zinc/24/57/81/1068245781.db2.gz CVOLMOQSFKUPCU-HNNXBMFYSA-N 0 0 456.542 0.165 20 30 JCEDRN C#CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000729330676 1068245770 /nfs/dbraw/zinc/24/57/70/1068245770.db2.gz CVOLMOQSFKUPCU-OAHLLOKOSA-N 0 0 456.542 0.165 20 30 JCEDRN C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330692 1068245716 /nfs/dbraw/zinc/24/57/16/1068245716.db2.gz HSHHFCYJWJLIAL-GOSISDBHSA-N 0 0 454.570 0.289 20 30 JCEDRN C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729330695 1068245694 /nfs/dbraw/zinc/24/56/94/1068245694.db2.gz HSHHFCYJWJLIAL-SFHVURJKSA-N 0 0 454.570 0.289 20 30 JCEDRN C#CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000729330894 1068245750 /nfs/dbraw/zinc/24/57/50/1068245750.db2.gz HGDGIFVQQUFHQI-INIZCTEOSA-N 0 0 470.569 0.555 20 30 JCEDRN C#CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000729330896 1068245724 /nfs/dbraw/zinc/24/57/24/1068245724.db2.gz HGDGIFVQQUFHQI-MRXNPFEDSA-N 0 0 470.569 0.555 20 30 JCEDRN C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330918 1068245793 /nfs/dbraw/zinc/24/57/93/1068245793.db2.gz HVCOTWAKLMFXPH-CYBMUJFWSA-N 0 0 468.475 0.903 20 30 JCEDRN C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729330919 1068245830 /nfs/dbraw/zinc/24/58/30/1068245830.db2.gz HVCOTWAKLMFXPH-ZDUSSCGKSA-N 0 0 468.475 0.903 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729330928 1068245898 /nfs/dbraw/zinc/24/58/98/1068245898.db2.gz IFXCBHYMSHIYAD-KRWDZBQOSA-N 0 0 482.580 0.523 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330929 1068245840 /nfs/dbraw/zinc/24/58/40/1068245840.db2.gz IFXCBHYMSHIYAD-QGZVFWFLSA-N 0 0 482.580 0.523 20 30 JCEDRN C#CCN(C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000729331030 1068245809 /nfs/dbraw/zinc/24/58/09/1068245809.db2.gz IVOZSNLRUKLYKZ-KRWDZBQOSA-N 0 0 484.596 0.945 20 30 JCEDRN C#CCN(C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000729331032 1068245850 /nfs/dbraw/zinc/24/58/50/1068245850.db2.gz IVOZSNLRUKLYKZ-QGZVFWFLSA-N 0 0 484.596 0.945 20 30 JCEDRN C#CCN(C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729331158 1068245351 /nfs/dbraw/zinc/24/53/51/1068245351.db2.gz KCWPPHAALQRRCI-GOSISDBHSA-N 0 0 490.607 0.805 20 30 JCEDRN C#CCN(C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000729331163 1068245341 /nfs/dbraw/zinc/24/53/41/1068245341.db2.gz KCWPPHAALQRRCI-SFHVURJKSA-N 0 0 490.607 0.805 20 30 JCEDRN C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000729331293 1068244266 /nfs/dbraw/zinc/24/42/66/1068244266.db2.gz LWDKXXDCZNOWPX-HNNXBMFYSA-N 0 0 487.556 0.653 20 30 JCEDRN C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000729331295 1068244191 /nfs/dbraw/zinc/24/41/91/1068244191.db2.gz LWDKXXDCZNOWPX-OAHLLOKOSA-N 0 0 487.556 0.653 20 30 JCEDRN C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000729331308 1068244740 /nfs/dbraw/zinc/24/47/40/1068244740.db2.gz MAIKTMWTYZKOGW-HKUYNNGSSA-N 0 0 495.623 0.719 20 30 JCEDRN C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331310 1068244752 /nfs/dbraw/zinc/24/47/52/1068244752.db2.gz MAIKTMWTYZKOGW-IEBWSBKVSA-N 0 0 495.623 0.719 20 30 JCEDRN C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000729331312 1068244726 /nfs/dbraw/zinc/24/47/26/1068244726.db2.gz MAIKTMWTYZKOGW-MJGOQNOKSA-N 0 0 495.623 0.719 20 30 JCEDRN C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331314 1068244800 /nfs/dbraw/zinc/24/48/00/1068244800.db2.gz MAIKTMWTYZKOGW-PKOBYXMFSA-N 0 0 495.623 0.719 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331346 1068244810 /nfs/dbraw/zinc/24/48/10/1068244810.db2.gz MNVVASHUGLBYSY-GOSISDBHSA-N 0 0 496.607 0.898 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729331349 1068244806 /nfs/dbraw/zinc/24/48/06/1068244806.db2.gz MNVVASHUGLBYSY-SFHVURJKSA-N 0 0 496.607 0.898 20 30 JCEDRN C#CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000729331401 1068244139 /nfs/dbraw/zinc/24/41/39/1068244139.db2.gz CISKACBZJHECIH-INIZCTEOSA-N 0 0 495.579 0.418 20 30 JCEDRN C#CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000729331405 1068244249 /nfs/dbraw/zinc/24/42/49/1068244249.db2.gz CISKACBZJHECIH-MRXNPFEDSA-N 0 0 495.579 0.418 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729331481 1068244293 /nfs/dbraw/zinc/24/42/93/1068244293.db2.gz NTIPOOKSSRHOPN-KRWDZBQOSA-N 0 0 454.570 0.745 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331487 1068244231 /nfs/dbraw/zinc/24/42/31/1068244231.db2.gz NTIPOOKSSRHOPN-QGZVFWFLSA-N 0 0 454.570 0.745 20 30 JCEDRN C#CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000729331488 1068244220 /nfs/dbraw/zinc/24/42/20/1068244220.db2.gz NUPORFFFARTPOM-INIZCTEOSA-N 0 0 451.570 0.934 20 30 JCEDRN C#CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000729331489 1068244280 /nfs/dbraw/zinc/24/42/80/1068244280.db2.gz NUPORFFFARTPOM-MRXNPFEDSA-N 0 0 451.570 0.934 20 30 JCEDRN C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000729331827 1068244259 /nfs/dbraw/zinc/24/42/59/1068244259.db2.gz QIYVKCVAIWPUFY-CYBMUJFWSA-N 0 0 493.401 0.636 20 30 JCEDRN C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000729331830 1068244146 /nfs/dbraw/zinc/24/41/46/1068244146.db2.gz QIYVKCVAIWPUFY-ZDUSSCGKSA-N 0 0 493.401 0.636 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729331890 1068244179 /nfs/dbraw/zinc/24/41/79/1068244179.db2.gz RWLPKARTAJSZGC-IBGZPJMESA-N 0 0 496.607 0.913 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331891 1068244212 /nfs/dbraw/zinc/24/42/12/1068244212.db2.gz RWLPKARTAJSZGC-LJQANCHMSA-N 0 0 496.607 0.913 20 30 JCEDRN C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000729331896 1068244305 /nfs/dbraw/zinc/24/43/05/1068244305.db2.gz IDUYFUWVEHDSSE-CABCVRRESA-N 0 0 450.513 0.714 20 30 JCEDRN C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000729331897 1068244205 /nfs/dbraw/zinc/24/42/05/1068244205.db2.gz IDUYFUWVEHDSSE-GJZGRUSLSA-N 0 0 450.513 0.714 20 30 JCEDRN C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331898 1068244274 /nfs/dbraw/zinc/24/42/74/1068244274.db2.gz IDUYFUWVEHDSSE-HUUCEWRRSA-N 0 0 450.513 0.714 20 30 JCEDRN C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331899 1068244167 /nfs/dbraw/zinc/24/41/67/1068244167.db2.gz IDUYFUWVEHDSSE-LSDHHAIUSA-N 0 0 450.513 0.714 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729332021 1068244161 /nfs/dbraw/zinc/24/41/61/1068244161.db2.gz SWVPQJUTUSHHKV-IBGZPJMESA-N 0 0 466.581 0.939 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332023 1068244199 /nfs/dbraw/zinc/24/41/99/1068244199.db2.gz SWVPQJUTUSHHKV-LJQANCHMSA-N 0 0 466.581 0.939 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332163 1068243693 /nfs/dbraw/zinc/24/36/93/1068243693.db2.gz UVTZRQZGPPLPFJ-GOSISDBHSA-N 0 0 483.568 0.953 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729332164 1068243633 /nfs/dbraw/zinc/24/36/33/1068243633.db2.gz UVTZRQZGPPLPFJ-SFHVURJKSA-N 0 0 483.568 0.953 20 30 JCEDRN C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000729332167 1068243685 /nfs/dbraw/zinc/24/36/85/1068243685.db2.gz VHDBZTYNIZDRNI-INIZCTEOSA-N 0 0 488.031 0.929 20 30 JCEDRN C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000729332168 1068243625 /nfs/dbraw/zinc/24/36/25/1068243625.db2.gz VHDBZTYNIZDRNI-MRXNPFEDSA-N 0 0 488.031 0.929 20 30 JCEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729332178 1068243761 /nfs/dbraw/zinc/24/37/61/1068243761.db2.gz VPKLDVIQYWKBBZ-BQFCYCMXSA-N 0 0 454.570 0.747 20 30 JCEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729332179 1068243608 /nfs/dbraw/zinc/24/36/08/1068243608.db2.gz VPKLDVIQYWKBBZ-JZXOWHBKSA-N 0 0 454.570 0.747 20 30 JCEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332180 1068244311 /nfs/dbraw/zinc/24/43/11/1068244311.db2.gz VPKLDVIQYWKBBZ-SOLBZPMBSA-N 0 0 454.570 0.747 20 30 JCEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332181 1068244240 /nfs/dbraw/zinc/24/42/40/1068244240.db2.gz VPKLDVIQYWKBBZ-XYJFISCASA-N 0 0 454.570 0.747 20 30 JCEDRN C#CCN(C(=O)CCNS(=O)(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729332553 1068244688 /nfs/dbraw/zinc/24/46/88/1068244688.db2.gz ZXERFQZBWOHKKZ-AWEZNQCLSA-N 0 0 463.375 0.766 20 30 JCEDRN C#CCN(C(=O)CCNS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332559 1068244733 /nfs/dbraw/zinc/24/47/33/1068244733.db2.gz ZXERFQZBWOHKKZ-CQSZACIVSA-N 0 0 463.375 0.766 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729332817 1068244698 /nfs/dbraw/zinc/24/46/98/1068244698.db2.gz YVPNQZZSESNCEV-HNNXBMFYSA-N 0 0 459.977 0.785 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332818 1068244774 /nfs/dbraw/zinc/24/47/74/1068244774.db2.gz YVPNQZZSESNCEV-OAHLLOKOSA-N 0 0 459.977 0.785 20 30 JCEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729332831 1068244758 /nfs/dbraw/zinc/24/47/58/1068244758.db2.gz ZESAMWMIIITRCD-HNNXBMFYSA-N 0 0 458.558 0.411 20 30 JCEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332832 1068244794 /nfs/dbraw/zinc/24/47/94/1068244794.db2.gz ZESAMWMIIITRCD-OAHLLOKOSA-N 0 0 458.558 0.411 20 30 JCEDRN C#CCN(C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332851 1068244711 /nfs/dbraw/zinc/24/47/11/1068244711.db2.gz ZPCJSTHPOFRFAV-GOSISDBHSA-N 0 0 454.570 0.532 20 30 JCEDRN C#CCN(C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729332852 1068244788 /nfs/dbraw/zinc/24/47/88/1068244788.db2.gz ZPCJSTHPOFRFAV-SFHVURJKSA-N 0 0 454.570 0.532 20 30 JCEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729333116 1068244743 /nfs/dbraw/zinc/24/47/43/1068244743.db2.gz MSVLBFNMRDKELF-CYBMUJFWSA-N 0 0 463.375 0.962 20 30 JCEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729333117 1068244762 /nfs/dbraw/zinc/24/47/62/1068244762.db2.gz MSVLBFNMRDKELF-ZDUSSCGKSA-N 0 0 463.375 0.962 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729334077 1068244780 /nfs/dbraw/zinc/24/47/80/1068244780.db2.gz HYTYGCLADUMFFU-INIZCTEOSA-N 0 0 486.568 0.506 20 30 JCEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729334078 1068244765 /nfs/dbraw/zinc/24/47/65/1068244765.db2.gz HYTYGCLADUMFFU-MRXNPFEDSA-N 0 0 486.568 0.506 20 30 JCEDRN C#CCN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729334194 1068245179 /nfs/dbraw/zinc/24/51/79/1068245179.db2.gz JVAWTPKICDWMMC-HNNXBMFYSA-N 0 0 491.385 0.451 20 30 JCEDRN C#CCN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729334197 1068245153 /nfs/dbraw/zinc/24/51/53/1068245153.db2.gz JVAWTPKICDWMMC-OAHLLOKOSA-N 0 0 491.385 0.451 20 30 JCEDRN C#CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729334469 1068245186 /nfs/dbraw/zinc/24/51/86/1068245186.db2.gz PVPNQMLATPAOCL-AWEZNQCLSA-N 0 0 463.375 0.719 20 30 JCEDRN C#CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729334470 1068245205 /nfs/dbraw/zinc/24/52/05/1068245205.db2.gz PVPNQMLATPAOCL-CQSZACIVSA-N 0 0 463.375 0.719 20 30 JCEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729334835 1068245298 /nfs/dbraw/zinc/24/52/98/1068245298.db2.gz WKRWIDIYKNFIOA-GOSISDBHSA-N 0 0 472.585 0.233 20 30 JCEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729334836 1068245333 /nfs/dbraw/zinc/24/53/33/1068245333.db2.gz WKRWIDIYKNFIOA-SFHVURJKSA-N 0 0 472.585 0.233 20 30 JCEDRN C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729334927 1068245142 /nfs/dbraw/zinc/24/51/42/1068245142.db2.gz DWMHRKJPTZGUOH-CVEARBPZSA-N 0 0 466.537 0.273 20 30 JCEDRN C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 ZINC000729334930 1068245216 /nfs/dbraw/zinc/24/52/16/1068245216.db2.gz DWMHRKJPTZGUOH-HOTGVXAUSA-N 0 0 466.537 0.273 20 30 JCEDRN C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729334932 1068245274 /nfs/dbraw/zinc/24/52/74/1068245274.db2.gz DWMHRKJPTZGUOH-HZPDHXFCSA-N 0 0 466.537 0.273 20 30 JCEDRN C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 ZINC000729334934 1068245246 /nfs/dbraw/zinc/24/52/46/1068245246.db2.gz DWMHRKJPTZGUOH-JKSUJKDBSA-N 0 0 466.537 0.273 20 30 JCEDRN C#CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000729335415 1068245315 /nfs/dbraw/zinc/24/53/15/1068245315.db2.gz NYSIDVNXYGOJJT-IBGZPJMESA-N 0 0 453.586 0.096 20 30 JCEDRN C#CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729335418 1068245304 /nfs/dbraw/zinc/24/53/04/1068245304.db2.gz NYSIDVNXYGOJJT-LJQANCHMSA-N 0 0 453.586 0.096 20 30 JCEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000729335498 1068245287 /nfs/dbraw/zinc/24/52/87/1068245287.db2.gz PVIWJZWPGCNMAZ-JTQLQIEISA-N 0 0 455.377 0.438 20 30 JCEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000729335499 1068245227 /nfs/dbraw/zinc/24/52/27/1068245227.db2.gz PVIWJZWPGCNMAZ-SNVBAGLBSA-N 0 0 455.377 0.438 20 30 JCEDRN C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000729336008 1068245267 /nfs/dbraw/zinc/24/52/67/1068245267.db2.gz ZJKRPUHAHYFPSW-DOTOQJQBSA-N 0 0 469.541 0.644 20 30 JCEDRN C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000729336009 1068245323 /nfs/dbraw/zinc/24/53/23/1068245323.db2.gz ZJKRPUHAHYFPSW-NVXWUHKLSA-N 0 0 469.541 0.644 20 30 JCEDRN C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000729336031 1068245256 /nfs/dbraw/zinc/24/52/56/1068245256.db2.gz ZJKRPUHAHYFPSW-RDJZCZTQSA-N 0 0 469.541 0.644 20 30 JCEDRN C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000729336032 1068245164 /nfs/dbraw/zinc/24/51/64/1068245164.db2.gz ZJKRPUHAHYFPSW-WBVHZDCISA-N 0 0 469.541 0.644 20 30 JCEDRN CS(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000729358229 1068248293 /nfs/dbraw/zinc/24/82/93/1068248293.db2.gz LLVTUIYLPGHMJU-UHFFFAOYSA-N 0 0 451.482 0.422 20 30 JCEDRN O=C(CCCN=C1NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000729363140 1068248847 /nfs/dbraw/zinc/24/88/47/1068248847.db2.gz LIMMIGZTJNZIAB-UHFFFAOYSA-N 0 0 457.512 0.591 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@H](C)C(=O)N3CCNC3=O)n2c2ccccc2c1=O ZINC000729363696 1068250607 /nfs/dbraw/zinc/25/06/07/1068250607.db2.gz LTLPXJIQAZUIRE-GFCCVEGCSA-N 0 0 456.484 0.806 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@@H](C)C(=O)N3CCNC3=O)n2c2ccccc2c1=O ZINC000729363697 1068251130 /nfs/dbraw/zinc/25/11/30/1068251130.db2.gz LTLPXJIQAZUIRE-LBPRGKRZSA-N 0 0 456.484 0.806 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 ZINC000729372331 1068252467 /nfs/dbraw/zinc/25/24/67/1068252467.db2.gz VCHZNOXAKCNTNP-UHFFFAOYSA-N 0 0 471.377 0.207 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000729376182 1068252458 /nfs/dbraw/zinc/25/24/58/1068252458.db2.gz DOEFWNGQTOURED-UHFFFAOYSA-N 0 0 455.540 0.625 20 30 JCEDRN NC(=O)C1CCN(c2ncccc2CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000729376408 1068252839 /nfs/dbraw/zinc/25/28/39/1068252839.db2.gz MJSDUAOFYSHNSZ-UHFFFAOYSA-N 0 0 470.555 0.528 20 30 JCEDRN NC(=O)C1CCN(c2ncccc2CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000729376640 1068252872 /nfs/dbraw/zinc/25/28/72/1068252872.db2.gz SXLSOVZHGOQGAN-UHFFFAOYSA-N 0 0 484.582 0.918 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1 ZINC000729376823 1068252499 /nfs/dbraw/zinc/25/24/99/1068252499.db2.gz PVWZSWHMZTXOCG-UHFFFAOYSA-N 0 0 455.540 0.625 20 30 JCEDRN NC(=O)C1CCN(c2ncccc2CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000729377030 1068252384 /nfs/dbraw/zinc/25/23/84/1068252384.db2.gz VWFTXFBXVCCSRT-UHFFFAOYSA-N 0 0 456.528 0.138 20 30 JCEDRN CS(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000729381852 1068254157 /nfs/dbraw/zinc/25/41/57/1068254157.db2.gz BQLRBKHUKBFIAM-UHFFFAOYSA-N 0 0 451.482 0.422 20 30 JCEDRN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000729398511 1068254188 /nfs/dbraw/zinc/25/41/88/1068254188.db2.gz FVCOVUIPMZAMCH-UHFFFAOYSA-N 0 0 465.576 0.736 20 30 JCEDRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000729416845 1070004770 /nfs/dbraw/zinc/00/47/70/1070004770.db2.gz CGVSSNJBIXADDX-UHFFFAOYSA-N 0 0 493.567 0.168 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)ccc1F ZINC000729417055 1068255168 /nfs/dbraw/zinc/25/51/68/1068255168.db2.gz HLJYDISDNKTBOB-UHFFFAOYSA-N 0 0 484.531 0.567 20 30 JCEDRN COc1cccc([C@H](C#N)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1OC ZINC000729428213 1068411795 /nfs/dbraw/zinc/41/17/95/1068411795.db2.gz AYJDQYSAWWFZOL-KRWDZBQOSA-N 0 0 458.496 0.819 20 30 JCEDRN COc1cccc([C@@H](C#N)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1OC ZINC000729428216 1068411835 /nfs/dbraw/zinc/41/18/35/1068411835.db2.gz AYJDQYSAWWFZOL-QGZVFWFLSA-N 0 0 458.496 0.819 20 30 JCEDRN COc1cccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1OC ZINC000729429828 1069117267 /nfs/dbraw/zinc/11/72/67/1069117267.db2.gz OGIHVRFIFQKCNS-KRWDZBQOSA-N 0 0 458.496 0.819 20 30 JCEDRN COc1cccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1OC ZINC000729429829 1069121790 /nfs/dbraw/zinc/12/17/90/1069121790.db2.gz OGIHVRFIFQKCNS-QGZVFWFLSA-N 0 0 458.496 0.819 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000729437099 1069350139 /nfs/dbraw/zinc/35/01/39/1069350139.db2.gz RWIXDRZVLSIPHH-HNNXBMFYSA-N 0 0 480.543 0.834 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000729437100 1069350075 /nfs/dbraw/zinc/35/00/75/1069350075.db2.gz RWIXDRZVLSIPHH-OAHLLOKOSA-N 0 0 480.543 0.834 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1=O ZINC000729468970 1069365693 /nfs/dbraw/zinc/36/56/93/1069365693.db2.gz VAAWVSRXXPPHGO-KRWDZBQOSA-N 0 0 479.534 0.083 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1=O ZINC000729468972 1069366002 /nfs/dbraw/zinc/36/60/02/1069366002.db2.gz VAAWVSRXXPPHGO-QGZVFWFLSA-N 0 0 479.534 0.083 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)CCC#N ZINC000729481682 1069413245 /nfs/dbraw/zinc/41/32/45/1069413245.db2.gz HLTRGFYKNVWADI-AWEZNQCLSA-N 0 0 467.504 0.777 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)CCC#N ZINC000729481683 1069414195 /nfs/dbraw/zinc/41/41/95/1069414195.db2.gz HLTRGFYKNVWADI-CQSZACIVSA-N 0 0 467.504 0.777 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000729502407 1069471969 /nfs/dbraw/zinc/47/19/69/1069471969.db2.gz HOYSZVDXDJAXSA-GDBMZVCRSA-N 0 0 458.558 0.732 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000729502408 1069472087 /nfs/dbraw/zinc/47/20/87/1069472087.db2.gz HOYSZVDXDJAXSA-GOEBONIOSA-N 0 0 458.558 0.732 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000729502409 1069472003 /nfs/dbraw/zinc/47/20/03/1069472003.db2.gz HOYSZVDXDJAXSA-HOCLYGCPSA-N 0 0 458.558 0.732 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000729502410 1069472085 /nfs/dbraw/zinc/47/20/85/1069472085.db2.gz HOYSZVDXDJAXSA-ZBFHGGJFSA-N 0 0 458.558 0.732 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000729503773 1069473159 /nfs/dbraw/zinc/47/31/59/1069473159.db2.gz YFFSDKUEULPJDS-CYBMUJFWSA-N 0 0 467.525 0.982 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000729503775 1069473212 /nfs/dbraw/zinc/47/32/12/1069473212.db2.gz YFFSDKUEULPJDS-ZDUSSCGKSA-N 0 0 467.525 0.982 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CC1 ZINC000729533481 1069615225 /nfs/dbraw/zinc/61/52/25/1069615225.db2.gz LSVFGVQEXIYJPP-UHFFFAOYSA-N 0 0 494.409 0.599 20 30 JCEDRN CS(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 ZINC000729540243 1069639462 /nfs/dbraw/zinc/63/94/62/1069639462.db2.gz ZDSRHGYAUWBVGZ-UHFFFAOYSA-N 0 0 451.482 0.422 20 30 JCEDRN CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000729557980 1069661262 /nfs/dbraw/zinc/66/12/62/1069661262.db2.gz FBYYKHVFHWHMQI-JZJYNLBNSA-N 0 0 457.578 0.999 20 30 JCEDRN CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000729557982 1069661223 /nfs/dbraw/zinc/66/12/23/1069661223.db2.gz FBYYKHVFHWHMQI-LVZFUZTISA-N 0 0 457.578 0.999 20 30 JCEDRN CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000729559959 1069665351 /nfs/dbraw/zinc/66/53/51/1069665351.db2.gz PZCCZLADZFIHSK-JZJYNLBNSA-N 0 0 457.578 0.999 20 30 JCEDRN CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000729559960 1069665471 /nfs/dbraw/zinc/66/54/71/1069665471.db2.gz PZCCZLADZFIHSK-LVZFUZTISA-N 0 0 457.578 0.999 20 30 JCEDRN C[C@H](OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(=O)N(C)CCC#N ZINC000729626908 1069945366 /nfs/dbraw/zinc/94/53/66/1069945366.db2.gz FVIPNIPTYAGELB-INIZCTEOSA-N 0 0 491.570 0.831 20 30 JCEDRN C[C@@H](OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(=O)N(C)CCC#N ZINC000729626909 1069945226 /nfs/dbraw/zinc/94/52/26/1069945226.db2.gz FVIPNIPTYAGELB-MRXNPFEDSA-N 0 0 491.570 0.831 20 30 JCEDRN C=CCNC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000729627385 1069944541 /nfs/dbraw/zinc/94/45/41/1069944541.db2.gz JFCYVLIBSUOOQI-HNNXBMFYSA-N 0 0 464.544 0.761 20 30 JCEDRN C=CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000729627386 1069944578 /nfs/dbraw/zinc/94/45/78/1069944578.db2.gz JFCYVLIBSUOOQI-OAHLLOKOSA-N 0 0 464.544 0.761 20 30 JCEDRN C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)N(C)CCC#N ZINC000729628992 1069946126 /nfs/dbraw/zinc/94/61/26/1069946126.db2.gz WBAWSLMRUWWQJM-HNNXBMFYSA-N 0 0 452.533 0.691 20 30 JCEDRN C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)N(C)CCC#N ZINC000729628993 1069946191 /nfs/dbraw/zinc/94/61/91/1069946191.db2.gz WBAWSLMRUWWQJM-OAHLLOKOSA-N 0 0 452.533 0.691 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000729668354 1069953991 /nfs/dbraw/zinc/95/39/91/1069953991.db2.gz HFUOQDCJMGEZAT-UHFFFAOYSA-N 0 0 487.541 0.917 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 ZINC000729668416 1069954084 /nfs/dbraw/zinc/95/40/84/1069954084.db2.gz IUOAWMJZGKKDFF-UHFFFAOYSA-N 0 0 459.531 0.871 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C#N)c1 ZINC000729668565 1070018717 /nfs/dbraw/zinc/01/87/17/1070018717.db2.gz NOVHABRLSRFHAK-UHFFFAOYSA-N 0 0 476.543 0.824 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 ZINC000729668612 1069957754 /nfs/dbraw/zinc/95/77/54/1069957754.db2.gz AZVPBUWIOFRBTL-UHFFFAOYSA-N 0 0 474.546 0.461 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000729668694 1069954717 /nfs/dbraw/zinc/95/47/17/1069954717.db2.gz BYJRGFRMGHOVIG-UHFFFAOYSA-N 0 0 480.594 0.261 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(=O)N(C)C ZINC000729668710 1069954637 /nfs/dbraw/zinc/95/46/37/1069954637.db2.gz CDIMCGCCKWNLDA-UHFFFAOYSA-N 0 0 452.540 0.065 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 ZINC000729668827 1069954128 /nfs/dbraw/zinc/95/41/28/1069954128.db2.gz RVHZQCICXDVSMB-UHFFFAOYSA-N 0 0 457.515 0.909 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)cc1 ZINC000729668882 1069954011 /nfs/dbraw/zinc/95/40/11/1069954011.db2.gz UDJJPSWWZQJOCU-UHFFFAOYSA-N 0 0 475.530 0.821 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 ZINC000729668931 1069954853 /nfs/dbraw/zinc/95/48/53/1069954853.db2.gz VSAUSEDLCUSOBX-UHFFFAOYSA-N 0 0 471.542 0.968 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC ZINC000729668959 1069953978 /nfs/dbraw/zinc/95/39/78/1069953978.db2.gz GVALTKBUKNIGSZ-UHFFFAOYSA-N 0 0 471.608 0.966 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000729668972 1069954156 /nfs/dbraw/zinc/95/41/56/1069954156.db2.gz GYJURSRNNINYAJ-HNNXBMFYSA-N 0 0 455.540 0.248 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000729668974 1069954072 /nfs/dbraw/zinc/95/40/72/1069954072.db2.gz GYJURSRNNINYAJ-OAHLLOKOSA-N 0 0 455.540 0.248 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000729669033 1069954038 /nfs/dbraw/zinc/95/40/38/1069954038.db2.gz HTWNZWPGDTVOGD-UHFFFAOYSA-N 0 0 458.503 0.754 20 30 JCEDRN CCOCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NCCCOC ZINC000729669098 1069954001 /nfs/dbraw/zinc/95/40/01/1069954001.db2.gz IPXKFMSVRKZYRJ-UHFFFAOYSA-N 0 0 455.540 0.250 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC ZINC000729669144 1069953948 /nfs/dbraw/zinc/95/39/48/1069953948.db2.gz JWGZNNKNSYXMKZ-UHFFFAOYSA-N 0 0 457.581 0.576 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(=O)N(C)C ZINC000729669382 1069957481 /nfs/dbraw/zinc/95/74/81/1069957481.db2.gz NOCAXVQMAQVPMX-UHFFFAOYSA-N 0 0 466.563 0.517 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1C#N ZINC000729669392 1069954163 /nfs/dbraw/zinc/95/41/63/1069954163.db2.gz ODINCHZUKREODN-UHFFFAOYSA-N 0 0 470.514 0.684 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729669702 1069955443 /nfs/dbraw/zinc/95/54/43/1069955443.db2.gz BQTLIUUZCBNTEC-UHFFFAOYSA-N 0 0 465.535 0.636 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000729669708 1069955683 /nfs/dbraw/zinc/95/56/83/1069955683.db2.gz SPWPFJRWFKBNMX-UHFFFAOYSA-N 0 0 472.530 0.787 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729669749 1069955431 /nfs/dbraw/zinc/95/54/31/1069955431.db2.gz TVYVXIRJLINTRP-UHFFFAOYSA-N 0 0 464.551 0.208 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NCCOC ZINC000729669755 1069955387 /nfs/dbraw/zinc/95/53/87/1069955387.db2.gz AYLZBXNAMDKHPA-UHFFFAOYSA-N 0 0 455.540 0.250 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NC1CC1 ZINC000729669774 1069955418 /nfs/dbraw/zinc/95/54/18/1069955418.db2.gz DBSBAKAYCSWYCB-UHFFFAOYSA-N 0 0 451.508 0.292 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 ZINC000729669780 1069955350 /nfs/dbraw/zinc/95/53/50/1069955350.db2.gz DFWWRKGDBKDETR-UHFFFAOYSA-N 0 0 465.560 0.933 20 30 JCEDRN CCCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000729669854 1069954916 /nfs/dbraw/zinc/95/49/16/1069954916.db2.gz FZFIJAVCNDHBGD-UHFFFAOYSA-N 0 0 480.594 0.309 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729669878 1069955647 /nfs/dbraw/zinc/95/56/47/1069955647.db2.gz UYTJNBAOGLEQPB-UHFFFAOYSA-N 0 0 469.592 0.672 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC ZINC000729669887 1069955398 /nfs/dbraw/zinc/95/53/98/1069955398.db2.gz VALFIWRBARMIOH-HNNXBMFYSA-N 0 0 471.608 0.965 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC ZINC000729669889 1070018687 /nfs/dbraw/zinc/01/86/87/1070018687.db2.gz VALFIWRBARMIOH-OAHLLOKOSA-N 0 0 471.608 0.965 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2CCCSC)CC1 ZINC000729669911 1069955363 /nfs/dbraw/zinc/95/53/63/1069955363.db2.gz WEJBEGSSKPHNHM-UHFFFAOYSA-N 0 0 496.662 0.978 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 ZINC000729669946 1069955592 /nfs/dbraw/zinc/95/55/92/1069955592.db2.gz XRYWFTZUYOZHGZ-KRWDZBQOSA-N 0 0 488.573 0.849 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 ZINC000729669947 1069955609 /nfs/dbraw/zinc/95/56/09/1069955609.db2.gz XRYWFTZUYOZHGZ-QGZVFWFLSA-N 0 0 488.573 0.849 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCC(=O)OC ZINC000729669981 1069954842 /nfs/dbraw/zinc/95/48/42/1069954842.db2.gz GNZFKMPBORYJCH-UHFFFAOYSA-N 0 0 467.551 0.930 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NC(C)C ZINC000729669984 1069954691 /nfs/dbraw/zinc/95/46/91/1069954691.db2.gz GVAGOOPKCZLJKD-UHFFFAOYSA-N 0 0 453.524 0.538 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000729670021 1069954870 /nfs/dbraw/zinc/95/48/70/1069954870.db2.gz ZEFJWVXNEKBPKO-UHFFFAOYSA-N 0 0 459.487 0.567 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1C#N ZINC000729670050 1069954764 /nfs/dbraw/zinc/95/47/64/1069954764.db2.gz ZMPCUXXXRHTDNO-UHFFFAOYSA-N 0 0 482.525 0.780 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCC(=O)OC ZINC000729670060 1070018703 /nfs/dbraw/zinc/01/87/03/1070018703.db2.gz HXPOGDCTGFNOSR-UHFFFAOYSA-N 0 0 453.524 0.540 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NCC(C)C ZINC000729670143 1069954827 /nfs/dbraw/zinc/95/48/27/1069954827.db2.gz JQSMKPNSJOGTDD-UHFFFAOYSA-N 0 0 467.551 0.786 20 30 JCEDRN COc1cccc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000729670146 1069954621 /nfs/dbraw/zinc/95/46/21/1069954621.db2.gz JTCLFUKKZKWZEO-UHFFFAOYSA-N 0 0 487.541 0.917 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCC(=O)OC ZINC000729670269 1069954862 /nfs/dbraw/zinc/95/48/62/1069954862.db2.gz PECXENHVHUXXNO-UHFFFAOYSA-N 0 0 451.508 0.316 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000729670403 1069954578 /nfs/dbraw/zinc/95/45/78/1069954578.db2.gz DURYQYZHAWSKBJ-UHFFFAOYSA-N 0 0 494.621 0.651 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729670440 1069954706 /nfs/dbraw/zinc/95/47/06/1069954706.db2.gz GCTPSCWXQSGBAV-UHFFFAOYSA-N 0 0 467.551 0.346 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(OC)c1 ZINC000729670465 1069954927 /nfs/dbraw/zinc/95/49/27/1069954927.db2.gz SPDVOMCYTSTETH-UHFFFAOYSA-N 0 0 475.530 0.821 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000729670857 1069960585 /nfs/dbraw/zinc/96/05/85/1069960585.db2.gz NKLNLHSBZNWDOJ-INIZCTEOSA-N 0 0 469.567 0.638 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000729670858 1069961137 /nfs/dbraw/zinc/96/11/37/1069961137.db2.gz NKLNLHSBZNWDOJ-MRXNPFEDSA-N 0 0 469.567 0.638 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729670884 1069961043 /nfs/dbraw/zinc/96/10/43/1069961043.db2.gz AASQQPUAIBYQIR-UHFFFAOYSA-N 0 0 496.632 0.476 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(-c3ccccc3)o2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729670888 1069961235 /nfs/dbraw/zinc/96/12/35/1069961235.db2.gz ABGWWUJVKOAIRZ-UHFFFAOYSA-N 0 0 483.571 0.996 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O ZINC000729670891 1069961265 /nfs/dbraw/zinc/96/12/65/1069961265.db2.gz ACBBMYMYBULHHK-UHFFFAOYSA-N 0 0 490.028 0.325 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729670894 1069961176 /nfs/dbraw/zinc/96/11/76/1069961176.db2.gz ACWASBCLCCDSSO-UHFFFAOYSA-N 0 0 488.012 0.031 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729670895 1069961284 /nfs/dbraw/zinc/96/12/84/1069961284.db2.gz AEKMKSRCVIMKJK-UHFFFAOYSA-N 0 0 459.593 0.697 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729670903 1069961099 /nfs/dbraw/zinc/96/10/99/1069961099.db2.gz AKHVKTSZZZEDTI-UHFFFAOYSA-N 0 0 489.554 0.402 20 30 JCEDRN Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729670906 1069961192 /nfs/dbraw/zinc/96/11/92/1069961192.db2.gz AKZVIERKPQLYHQ-UHFFFAOYSA-N 0 0 462.578 0.444 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729670912 1069961110 /nfs/dbraw/zinc/96/11/10/1069961110.db2.gz AWXBKBLLHILOKW-UHFFFAOYSA-N 0 0 471.963 0.776 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCS(C)(=O)=O ZINC000729670916 1069961248 /nfs/dbraw/zinc/96/12/48/1069961248.db2.gz BCRSJNRKXYCCIN-UHFFFAOYSA-N 0 0 475.592 0.309 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)NC1CC1 ZINC000729670918 1069961063 /nfs/dbraw/zinc/96/10/63/1069961063.db2.gz BHTKXAGGJSQZAC-UHFFFAOYSA-N 0 0 496.408 0.499 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729670924 1069961159 /nfs/dbraw/zinc/96/11/59/1069961159.db2.gz BMDQHLMXLRUKLB-UHFFFAOYSA-N 0 0 481.546 0.794 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729670925 1069961052 /nfs/dbraw/zinc/96/10/52/1069961052.db2.gz BOHPLBFVNUPFJQ-UHFFFAOYSA-N 0 0 475.592 0.397 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O ZINC000729670928 1069961304 /nfs/dbraw/zinc/96/13/04/1069961304.db2.gz BQKUCANNERXLAJ-UHFFFAOYSA-N 0 0 460.002 0.699 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O ZINC000729670931 1069961086 /nfs/dbraw/zinc/96/10/86/1069961086.db2.gz BTCZNVCFRYRQFM-UHFFFAOYSA-N 0 0 453.973 0.635 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)ccc1F ZINC000729670933 1069961034 /nfs/dbraw/zinc/96/10/34/1069961034.db2.gz BVHGCBNIQXUGRY-UHFFFAOYSA-N 0 0 477.583 0.964 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCS(C)(=O)=O ZINC000729670934 1069961022 /nfs/dbraw/zinc/96/10/22/1069961022.db2.gz BXDREIMBFUJOKD-UHFFFAOYSA-N 0 0 473.601 0.974 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729670937 1069961123 /nfs/dbraw/zinc/96/11/23/1069961123.db2.gz BZBQTVCXHOAFTD-UHFFFAOYSA-N 0 0 455.508 0.260 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729670943 1069961210 /nfs/dbraw/zinc/96/12/10/1069961210.db2.gz CGZRTCSZTRFPCN-UHFFFAOYSA-N 0 0 485.509 0.497 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729670949 1069961074 /nfs/dbraw/zinc/96/10/74/1069961074.db2.gz CJLMSBOFNNGEGK-UHFFFAOYSA-N 0 0 475.592 0.548 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729670962 1069961842 /nfs/dbraw/zinc/96/18/42/1069961842.db2.gz CVAGPDYKJPSRES-UHFFFAOYSA-N 0 0 472.548 0.082 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 ZINC000729670974 1069961929 /nfs/dbraw/zinc/96/19/29/1069961929.db2.gz DSSBBWXAXBYGBS-UHFFFAOYSA-N 0 0 483.999 0.644 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729670991 1069959782 /nfs/dbraw/zinc/95/97/82/1069959782.db2.gz FJFKJFKULJUIKH-UHFFFAOYSA-N 0 0 483.974 0.872 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCS(C)(=O)=O ZINC000729671000 1069959808 /nfs/dbraw/zinc/95/98/08/1069959808.db2.gz FKPJLZMXHZJDIK-UHFFFAOYSA-N 0 0 498.424 0.745 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671003 1069959760 /nfs/dbraw/zinc/95/97/60/1069959760.db2.gz FPJQQYUQZCMBQS-UHFFFAOYSA-N 0 0 499.561 0.831 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000729671004 1069959692 /nfs/dbraw/zinc/95/96/92/1069959692.db2.gz FQGPXVLAERRPII-UHFFFAOYSA-N 0 0 476.967 0.727 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)ccc1OC(F)F ZINC000729671007 1069959849 /nfs/dbraw/zinc/95/98/49/1069959849.db2.gz FRNQGCZRAJJRQS-UHFFFAOYSA-N 0 0 455.464 0.591 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671011 1069959843 /nfs/dbraw/zinc/95/98/43/1069959843.db2.gz FYHOFWUHVOWJLB-UHFFFAOYSA-N 0 0 487.525 0.647 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)ccc1F ZINC000729671012 1069959748 /nfs/dbraw/zinc/95/97/48/1069959748.db2.gz GHEGDNNVFWRPNC-UHFFFAOYSA-N 0 0 465.572 0.677 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000729671030 1069960553 /nfs/dbraw/zinc/96/05/53/1069960553.db2.gz BHOZAJWXIWJJCA-UHFFFAOYSA-N 0 0 463.563 0.762 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 ZINC000729671036 1069960642 /nfs/dbraw/zinc/96/06/42/1069960642.db2.gz BPUCQARRXMRQPJ-KRWDZBQOSA-N 0 0 465.535 0.098 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 ZINC000729671037 1069960511 /nfs/dbraw/zinc/96/05/11/1069960511.db2.gz BPUCQARRXMRQPJ-QGZVFWFLSA-N 0 0 465.535 0.098 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2CC(C)C)CC1 ZINC000729671058 1069960439 /nfs/dbraw/zinc/96/04/39/1069960439.db2.gz CBNGGUMUXQHLKQ-UHFFFAOYSA-N 0 0 464.595 0.881 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729671066 1069960354 /nfs/dbraw/zinc/96/03/54/1069960354.db2.gz CKOBYUMXORQGEQ-UHFFFAOYSA-N 0 0 469.563 0.632 20 30 JCEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000729671070 1070018733 /nfs/dbraw/zinc/01/87/33/1070018733.db2.gz CROWIUAKZVZTFB-UHFFFAOYSA-N 0 0 492.605 0.452 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729671077 1069960525 /nfs/dbraw/zinc/96/05/25/1069960525.db2.gz GHRQFHTVDANPSG-UHFFFAOYSA-N 0 0 459.593 0.685 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2C(F)(F)F)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671078 1069960396 /nfs/dbraw/zinc/96/03/96/1069960396.db2.gz GHSLRZVEXMWLHF-UHFFFAOYSA-N 0 0 485.509 0.755 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F ZINC000729671088 1069960626 /nfs/dbraw/zinc/96/06/26/1069960626.db2.gz DCWBUEUDEOHEEW-UHFFFAOYSA-N 0 0 463.494 0.951 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 ZINC000729671093 1069960562 /nfs/dbraw/zinc/96/05/62/1069960562.db2.gz GYXZECTWMWKQQQ-UHFFFAOYSA-N 0 0 498.026 0.892 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671102 1069960574 /nfs/dbraw/zinc/96/05/74/1069960574.db2.gz HFCDTWVWESAZEF-UHFFFAOYSA-N 0 0 453.492 0.038 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCS(C)(=O)=O ZINC000729671103 1069960371 /nfs/dbraw/zinc/96/03/71/1069960371.db2.gz HFLUMJYDTNWVOK-UHFFFAOYSA-N 0 0 496.408 0.522 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O ZINC000729671104 1069960537 /nfs/dbraw/zinc/96/05/37/1069960537.db2.gz HNFOTCVXRZDYIL-UHFFFAOYSA-N 0 0 469.535 0.652 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671107 1069960421 /nfs/dbraw/zinc/96/04/21/1069960421.db2.gz HNQTUZSYCBZPPA-UHFFFAOYSA-N 0 0 477.608 0.771 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671111 1069960601 /nfs/dbraw/zinc/96/06/01/1069960601.db2.gz HTVRIILSEMELQN-UHFFFAOYSA-N 0 0 477.608 0.691 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671112 1069960336 /nfs/dbraw/zinc/96/03/36/1069960336.db2.gz HVMSUWWELCIAQC-UHFFFAOYSA-N 0 0 477.608 0.772 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671119 1069960477 /nfs/dbraw/zinc/96/04/77/1069960477.db2.gz HYVAFAINUVRYIH-UHFFFAOYSA-N 0 0 487.962 0.013 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCS(C)(=O)=O ZINC000729671122 1069960546 /nfs/dbraw/zinc/96/05/46/1069960546.db2.gz IBGWEWQFKZHHTC-UHFFFAOYSA-N 0 0 498.424 0.746 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671123 1069960499 /nfs/dbraw/zinc/96/04/99/1069960499.db2.gz IBJRNOJSKHGWMO-UHFFFAOYSA-N 0 0 451.957 0.389 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)C1CCC1 ZINC000729671125 1069960616 /nfs/dbraw/zinc/96/06/16/1069960616.db2.gz ICYHQSNUNAKOAV-UHFFFAOYSA-N 0 0 494.616 0.230 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671126 1069956874 /nfs/dbraw/zinc/95/68/74/1069956874.db2.gz IDXMNVXTTYGFKS-UHFFFAOYSA-N 0 0 475.592 0.525 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671133 1069956914 /nfs/dbraw/zinc/95/69/14/1069956914.db2.gz IQCPKQOFRWMIOE-UHFFFAOYSA-N 0 0 469.535 0.508 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671145 1069956969 /nfs/dbraw/zinc/95/69/69/1069956969.db2.gz JGAVCWHTEBOPHR-UHFFFAOYSA-N 0 0 461.609 0.991 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O ZINC000729671154 1069957546 /nfs/dbraw/zinc/95/75/46/1069957546.db2.gz JIKCPIBIILCTNP-UHFFFAOYSA-N 0 0 455.508 0.260 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O ZINC000729671156 1069957529 /nfs/dbraw/zinc/95/75/29/1069957529.db2.gz JIYMPCNPQDHRTF-UHFFFAOYSA-N 0 0 460.002 0.697 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671157 1069957710 /nfs/dbraw/zinc/95/77/10/1069957710.db2.gz JJPATFMJZOUPMW-UHFFFAOYSA-N 0 0 457.986 0.451 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671165 1069957735 /nfs/dbraw/zinc/95/77/35/1069957735.db2.gz JMXPIXJLXKMHRC-UHFFFAOYSA-N 0 0 461.565 0.077 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O ZINC000729671168 1069957726 /nfs/dbraw/zinc/95/77/26/1069957726.db2.gz JOIWELRZASZOPY-UHFFFAOYSA-N 0 0 474.029 0.945 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCS(C)(=O)=O ZINC000729671175 1069957621 /nfs/dbraw/zinc/95/76/21/1069957621.db2.gz JSZNDIZARUHJLD-UHFFFAOYSA-N 0 0 485.509 0.778 20 30 JCEDRN COc1ccccc1-n1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729671196 1069957597 /nfs/dbraw/zinc/95/75/97/1069957597.db2.gz QZOQMXUEFBPDCK-UHFFFAOYSA-N 0 0 487.541 0.917 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671200 1069957498 /nfs/dbraw/zinc/95/74/98/1069957498.db2.gz KGKAQMINNICIRM-UHFFFAOYSA-N 0 0 461.565 0.135 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729671217 1069955544 /nfs/dbraw/zinc/95/55/44/1069955544.db2.gz KNDLWAAWDYOIPQ-UHFFFAOYSA-N 0 0 491.635 0.535 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 ZINC000729671223 1069959827 /nfs/dbraw/zinc/95/98/27/1069959827.db2.gz KQEPKWFBRNNGFZ-UHFFFAOYSA-N 0 0 496.010 0.742 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729671234 1069959676 /nfs/dbraw/zinc/95/96/76/1069959676.db2.gz KTUHFYSKOBBNOT-UHFFFAOYSA-N 0 0 496.010 0.742 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCOC ZINC000729671264 1069959612 /nfs/dbraw/zinc/95/96/12/1069959612.db2.gz FINUDNXRFHOTPG-UHFFFAOYSA-N 0 0 471.579 0.925 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 ZINC000729671284 1069956187 /nfs/dbraw/zinc/95/61/87/1069956187.db2.gz FLDJFWSODVNIBU-KRWDZBQOSA-N 0 0 467.551 0.392 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1OC ZINC000729671285 1069956909 /nfs/dbraw/zinc/95/69/09/1069956909.db2.gz TWCBONQZJKWBGQ-UHFFFAOYSA-N 0 0 475.530 0.821 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 ZINC000729671293 1069956986 /nfs/dbraw/zinc/95/69/86/1069956986.db2.gz FLDJFWSODVNIBU-QGZVFWFLSA-N 0 0 467.551 0.392 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729671294 1069956932 /nfs/dbraw/zinc/95/69/32/1069956932.db2.gz LEZDBXYBENFKCR-UHFFFAOYSA-N 0 0 483.999 0.646 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCS(C)(=O)=O)c1=O ZINC000729671297 1069956955 /nfs/dbraw/zinc/95/69/55/1069956955.db2.gz LFBFYGDZQWRHIS-UHFFFAOYSA-N 0 0 481.983 0.398 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOC ZINC000729671329 1069956897 /nfs/dbraw/zinc/95/68/97/1069956897.db2.gz GGADBXVQPCRMHQ-UHFFFAOYSA-N 0 0 455.540 0.250 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000729671356 1069956939 /nfs/dbraw/zinc/95/69/39/1069956939.db2.gz HLGKERPOLKTUEG-IBGZPJMESA-N 0 0 492.605 0.404 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000729671357 1069957007 /nfs/dbraw/zinc/95/70/07/1069957007.db2.gz HLGKERPOLKTUEG-LJQANCHMSA-N 0 0 492.605 0.404 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671370 1069956979 /nfs/dbraw/zinc/95/69/79/1069956979.db2.gz LFLTVRVFIGLPKY-UHFFFAOYSA-N 0 0 481.571 0.058 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671381 1069956856 /nfs/dbraw/zinc/95/68/56/1069956856.db2.gz LIKCQSMHDHIHSG-UHFFFAOYSA-N 0 0 469.947 0.552 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCS(C)(=O)=O ZINC000729671386 1069956903 /nfs/dbraw/zinc/95/69/03/1069956903.db2.gz LKTOOZJKKWZBBU-UHFFFAOYSA-N 0 0 483.999 0.646 20 30 JCEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671388 1069956995 /nfs/dbraw/zinc/95/69/95/1069956995.db2.gz LLFCVSADDFELIJ-UHFFFAOYSA-N 0 0 461.609 0.847 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729671390 1069956864 /nfs/dbraw/zinc/95/68/64/1069956864.db2.gz LNFFPJDBRWKMAY-UHFFFAOYSA-N 0 0 461.609 0.909 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671393 1069956922 /nfs/dbraw/zinc/95/69/22/1069956922.db2.gz LOHLEBDBQUWGGA-UHFFFAOYSA-N 0 0 468.000 0.883 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCOC ZINC000729671398 1069957027 /nfs/dbraw/zinc/95/70/27/1069957027.db2.gz ITNJSZJCLRHLPX-UHFFFAOYSA-N 0 0 457.552 0.535 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)ccc1F ZINC000729671404 1069956962 /nfs/dbraw/zinc/95/69/62/1069956962.db2.gz LSUNTGVRRCOJBR-UHFFFAOYSA-N 0 0 451.545 0.430 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671409 1069956869 /nfs/dbraw/zinc/95/68/69/1069956869.db2.gz LVHNXRRCLQERHN-UHFFFAOYSA-N 0 0 487.525 0.791 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCS(C)(=O)=O)c1C ZINC000729671411 1069956893 /nfs/dbraw/zinc/95/68/93/1069956893.db2.gz LWMAAJCICLCJIL-UHFFFAOYSA-N 0 0 470.576 0.691 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729671421 1069955576 /nfs/dbraw/zinc/95/55/76/1069955576.db2.gz LZULOASLHXLAOK-UHFFFAOYSA-N 0 0 461.565 0.053 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729671433 1069955327 /nfs/dbraw/zinc/95/53/27/1069955327.db2.gz MMLRMDOCZDCLKU-UHFFFAOYSA-N 0 0 459.593 0.661 20 30 JCEDRN Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCS(C)(=O)=O)c1 ZINC000729671435 1069955524 /nfs/dbraw/zinc/95/55/24/1069955524.db2.gz MOCDLOMSHCHGCT-UHFFFAOYSA-N 0 0 470.576 0.691 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671436 1069955561 /nfs/dbraw/zinc/95/55/61/1069955561.db2.gz MPQINAKENCMNLR-UHFFFAOYSA-N 0 0 485.534 0.585 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671437 1069955628 /nfs/dbraw/zinc/95/56/28/1069955628.db2.gz MRTIPMWQCTWWIK-UHFFFAOYSA-N 0 0 471.482 0.153 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729671456 1069955483 /nfs/dbraw/zinc/95/54/83/1069955483.db2.gz NQRRCRZPJVWRGU-UHFFFAOYSA-N 0 0 472.013 0.795 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671457 1069955504 /nfs/dbraw/zinc/95/55/04/1069955504.db2.gz NQUPFTNGZDYEHA-UHFFFAOYSA-N 0 0 491.635 0.617 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729671458 1069956135 /nfs/dbraw/zinc/95/61/35/1069956135.db2.gz NROTVUFNUSCBRY-UHFFFAOYSA-N 0 0 467.519 0.358 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729671461 1069956163 /nfs/dbraw/zinc/95/61/63/1069956163.db2.gz NVFJZPFWIUJACD-UHFFFAOYSA-N 0 0 465.984 0.733 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671464 1069956256 /nfs/dbraw/zinc/95/62/56/1069956256.db2.gz OAIBDRSSZWHVOZ-UHFFFAOYSA-N 0 0 475.592 0.479 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671465 1069956343 /nfs/dbraw/zinc/95/63/43/1069956343.db2.gz OBNGLHQHNANGOP-UHFFFAOYSA-N 0 0 483.518 0.337 20 30 JCEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)ccc1F ZINC000729671466 1069956296 /nfs/dbraw/zinc/95/62/96/1069956296.db2.gz OCJGJVFAXXSBAE-UHFFFAOYSA-N 0 0 463.556 0.527 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671469 1069956116 /nfs/dbraw/zinc/95/61/16/1069956116.db2.gz OEOKITGGCSMLHH-UHFFFAOYSA-N 0 0 463.581 0.382 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCS(C)(=O)=O ZINC000729671474 1069956151 /nfs/dbraw/zinc/95/61/51/1069956151.db2.gz OKVLQSWYFZHVRD-UHFFFAOYSA-N 0 0 457.986 0.475 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671475 1069956229 /nfs/dbraw/zinc/95/62/29/1069956229.db2.gz OOPMTONNYUTXSZ-UHFFFAOYSA-N 0 0 469.535 0.652 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671482 1069956330 /nfs/dbraw/zinc/95/63/30/1069956330.db2.gz OZJLCFJIBBUEFK-UHFFFAOYSA-N 0 0 465.572 0.821 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671485 1069956267 /nfs/dbraw/zinc/95/62/67/1069956267.db2.gz PFGDSDOXIFYOMV-UHFFFAOYSA-N 0 0 499.561 0.278 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729671486 1069956372 /nfs/dbraw/zinc/95/63/72/1069956372.db2.gz PFYMYEMNFWLNKS-UHFFFAOYSA-N 0 0 489.619 0.833 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671487 1069956200 /nfs/dbraw/zinc/95/62/00/1069956200.db2.gz PGEMGKCOOCRRBE-UHFFFAOYSA-N 0 0 499.561 0.975 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671488 1069956241 /nfs/dbraw/zinc/95/62/41/1069956241.db2.gz PIGLXKRFXXHTQO-UHFFFAOYSA-N 0 0 495.598 0.448 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671490 1069956173 /nfs/dbraw/zinc/95/61/73/1069956173.db2.gz PKOJPKQXSQATBQ-UHFFFAOYSA-N 0 0 451.545 0.431 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O ZINC000729671492 1069956144 /nfs/dbraw/zinc/95/61/44/1069956144.db2.gz PLMUPINZHHFAQC-UHFFFAOYSA-N 0 0 469.535 0.508 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 ZINC000729671510 1069956312 /nfs/dbraw/zinc/95/63/12/1069956312.db2.gz JQEVTDFDVUHIJL-DOTOQJQBSA-N 0 0 467.551 0.391 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 ZINC000729671511 1069956122 /nfs/dbraw/zinc/95/61/22/1069956122.db2.gz JQEVTDFDVUHIJL-NVXWUHKLSA-N 0 0 467.551 0.391 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 ZINC000729671512 1069956212 /nfs/dbraw/zinc/95/62/12/1069956212.db2.gz JQEVTDFDVUHIJL-RDJZCZTQSA-N 0 0 467.551 0.391 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 ZINC000729671513 1069956356 /nfs/dbraw/zinc/95/63/56/1069956356.db2.gz JQEVTDFDVUHIJL-WBVHZDCISA-N 0 0 467.551 0.391 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000729671547 1069961823 /nfs/dbraw/zinc/96/18/23/1069961823.db2.gz LAZFJZCEICHTOY-UHFFFAOYSA-N 0 0 480.594 0.309 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000729671552 1069961859 /nfs/dbraw/zinc/96/18/59/1069961859.db2.gz LHOAEBYXGXPWKC-HNNXBMFYSA-N 0 0 471.579 0.924 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3c(c2)CC(C)(C)O3)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000729671553 1069962095 /nfs/dbraw/zinc/96/20/95/1069962095.db2.gz LHOAEBYXGXPWKC-OAHLLOKOSA-N 0 0 471.579 0.924 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671598 1069964260 /nfs/dbraw/zinc/96/42/60/1069964260.db2.gz PQWNKDMGXPTJPX-UHFFFAOYSA-N 0 0 473.498 0.401 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671604 1069964378 /nfs/dbraw/zinc/96/43/78/1069964378.db2.gz PXHOBCCFJITUJJ-UHFFFAOYSA-N 0 0 463.581 0.301 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O ZINC000729671610 1069964363 /nfs/dbraw/zinc/96/43/63/1069964363.db2.gz QPLSGGFNCJMZDF-UHFFFAOYSA-N 0 0 453.492 0.038 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671615 1069964407 /nfs/dbraw/zinc/96/44/07/1069964407.db2.gz QUOXIJSRPCZYKG-UHFFFAOYSA-N 0 0 489.619 0.915 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671616 1069964315 /nfs/dbraw/zinc/96/43/15/1069964315.db2.gz QWIOORUQAPJGFH-UHFFFAOYSA-N 0 0 498.026 0.654 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671623 1069964325 /nfs/dbraw/zinc/96/43/25/1069964325.db2.gz RDBGLCHLFMTFQW-UHFFFAOYSA-N 0 0 453.492 0.014 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671629 1069964229 /nfs/dbraw/zinc/96/42/29/1069964229.db2.gz RFNSSAKEKLVIKH-UHFFFAOYSA-N 0 0 477.608 0.227 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671631 1069964240 /nfs/dbraw/zinc/96/42/40/1069964240.db2.gz RJHGLRIAFXOKIR-UHFFFAOYSA-N 0 0 473.498 0.399 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000729671633 1069964435 /nfs/dbraw/zinc/96/44/35/1069964435.db2.gz RKEWMGCJCWTDDY-UHFFFAOYSA-N 0 0 483.999 0.644 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCO3)sc1=C(C#N)C#N ZINC000729671636 1069964299 /nfs/dbraw/zinc/96/42/99/1069964299.db2.gz RQTDKOSKWNATHQ-UHFFFAOYSA-N 0 0 451.913 0.406 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671639 1069964271 /nfs/dbraw/zinc/96/42/71/1069964271.db2.gz SAXJWLHCCGXTOC-UHFFFAOYSA-N 0 0 461.565 0.158 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671644 1069964976 /nfs/dbraw/zinc/96/49/76/1069964976.db2.gz SGLNYUYHRAWAOX-UHFFFAOYSA-N 0 0 485.534 0.583 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729671647 1069964985 /nfs/dbraw/zinc/96/49/85/1069964985.db2.gz SNSIOQLKWZNFSD-UHFFFAOYSA-N 0 0 496.632 0.476 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729671648 1069965057 /nfs/dbraw/zinc/96/50/57/1069965057.db2.gz SRWYTUPVMVMDEU-UHFFFAOYSA-N 0 0 499.536 0.934 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000729671649 1069965003 /nfs/dbraw/zinc/96/50/03/1069965003.db2.gz SUCPLGZOZYHKFV-UHFFFAOYSA-N 0 0 460.512 0.213 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2csc3ccccc23)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671650 1069965152 /nfs/dbraw/zinc/96/51/52/1069965152.db2.gz SYDXMDRSFOELOQ-UHFFFAOYSA-N 0 0 473.601 0.951 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671652 1069965045 /nfs/dbraw/zinc/96/50/45/1069965045.db2.gz SZHNMORNJGQLLV-UHFFFAOYSA-N 0 0 483.999 0.264 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCS(C)(=O)=O ZINC000729671657 1069964951 /nfs/dbraw/zinc/96/49/51/1069964951.db2.gz TWYXLJMMGSXSRJ-UHFFFAOYSA-N 0 0 491.616 0.435 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671661 1069965165 /nfs/dbraw/zinc/96/51/65/1069965165.db2.gz UDCVRQWQOOPCIS-UHFFFAOYSA-N 0 0 469.947 0.529 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729671662 1069965103 /nfs/dbraw/zinc/96/51/03/1069965103.db2.gz UDMCHTBHEWMCQV-UHFFFAOYSA-N 0 0 499.973 0.109 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729671665 1069965122 /nfs/dbraw/zinc/96/51/22/1069965122.db2.gz UGNNPONEGUBZJP-UHFFFAOYSA-N 0 0 463.581 0.299 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729671669 1069964965 /nfs/dbraw/zinc/96/49/65/1069964965.db2.gz UOYNQUCLZCIOBQ-UHFFFAOYSA-N 0 0 497.545 0.681 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671675 1069965089 /nfs/dbraw/zinc/96/50/89/1069965089.db2.gz USLQRHIHSZEGAJ-UHFFFAOYSA-N 0 0 477.608 0.628 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729671678 1069965079 /nfs/dbraw/zinc/96/50/79/1069965079.db2.gz UXQOXRCQOWJCMZ-UHFFFAOYSA-N 0 0 477.608 0.145 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729671680 1069965069 /nfs/dbraw/zinc/96/50/69/1069965069.db2.gz VBIYWGZIBDEJNV-UHFFFAOYSA-N 0 0 489.619 0.242 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671683 1069965027 /nfs/dbraw/zinc/96/50/27/1069965027.db2.gz VFIRHKZWCONLFB-UHFFFAOYSA-N 0 0 489.619 0.869 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O ZINC000729671686 1069965036 /nfs/dbraw/zinc/96/50/36/1069965036.db2.gz VJGQDWBHPAQHCI-UHFFFAOYSA-N 0 0 455.508 0.262 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CC(C)(C)O4)c(=O)n2CCOC)CC1 ZINC000729671730 1069964212 /nfs/dbraw/zinc/96/42/12/1069964212.db2.gz NTHNATUFSSXUTL-UHFFFAOYSA-N 0 0 496.633 0.937 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000729671734 1069964422 /nfs/dbraw/zinc/96/44/22/1069964422.db2.gz NZFHUPTWQLEYEU-UHFFFAOYSA-N 0 0 480.594 0.165 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 ZINC000729671827 1069964393 /nfs/dbraw/zinc/96/43/93/1069964393.db2.gz PQTWORLGEPGEKT-GOSISDBHSA-N 0 0 481.578 0.782 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 ZINC000729671830 1069964349 /nfs/dbraw/zinc/96/43/49/1069964349.db2.gz PQTWORLGEPGEKT-SFHVURJKSA-N 0 0 481.578 0.782 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 ZINC000729671836 1069964467 /nfs/dbraw/zinc/96/44/67/1069964467.db2.gz VTBNSRVNODBIFA-UHFFFAOYSA-N 0 0 481.983 0.398 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729671845 1069964248 /nfs/dbraw/zinc/96/42/48/1069964248.db2.gz VUBBNDJAMNSWNO-UHFFFAOYSA-N 0 0 477.608 0.547 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729671875 1069963516 /nfs/dbraw/zinc/96/35/16/1069963516.db2.gz WKEYSURYVNBDMV-UHFFFAOYSA-N 0 0 482.605 0.086 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000729671884 1069963553 /nfs/dbraw/zinc/96/35/53/1069963553.db2.gz QTASBEWEXMRQLD-UHFFFAOYSA-N 0 0 451.552 0.618 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NC1CC1 ZINC000729671906 1069963456 /nfs/dbraw/zinc/96/34/56/1069963456.db2.gz WYTBDTABSIISCT-UHFFFAOYSA-N 0 0 453.492 0.014 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NCCCOC(C)C ZINC000729671914 1069963442 /nfs/dbraw/zinc/96/34/42/1069963442.db2.gz ROLPAJJLGUPHIY-UHFFFAOYSA-N 0 0 469.567 0.638 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729671923 1069963475 /nfs/dbraw/zinc/96/34/75/1069963475.db2.gz XINWTMFEWDDGCL-UHFFFAOYSA-N 0 0 481.546 0.794 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671925 1069963653 /nfs/dbraw/zinc/96/36/53/1069963653.db2.gz XKRVRBLPGPPXFT-UHFFFAOYSA-N 0 0 477.608 0.772 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671926 1069963743 /nfs/dbraw/zinc/96/37/43/1069963743.db2.gz XLQYHCYCKBSIDJ-UHFFFAOYSA-N 0 0 455.508 0.262 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729671927 1069963720 /nfs/dbraw/zinc/96/37/20/1069963720.db2.gz XLVUGLIRWHYALD-AWEZNQCLSA-N 0 0 496.632 0.476 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729671928 1069963423 /nfs/dbraw/zinc/96/34/23/1069963423.db2.gz XLVUGLIRWHYALD-CQSZACIVSA-N 0 0 496.632 0.476 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671929 1069963570 /nfs/dbraw/zinc/96/35/70/1069963570.db2.gz XMLRAIJSTJUBLU-UHFFFAOYSA-N 0 0 451.957 0.413 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729671931 1069963683 /nfs/dbraw/zinc/96/36/83/1069963683.db2.gz XNXIMWZSLHSKQJ-UHFFFAOYSA-N 0 0 481.983 0.422 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729671935 1069963612 /nfs/dbraw/zinc/96/36/12/1069963612.db2.gz XRUVKZWMWRTDKQ-UHFFFAOYSA-N 0 0 467.519 0.358 20 30 JCEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729671942 1069963690 /nfs/dbraw/zinc/96/36/90/1069963690.db2.gz XWKIBVDVADUQQK-UHFFFAOYSA-N 0 0 461.609 0.907 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671945 1069963535 /nfs/dbraw/zinc/96/35/35/1069963535.db2.gz YAZDGKBXNXHYIC-UHFFFAOYSA-N 0 0 483.518 0.361 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCS(C)(=O)=O ZINC000729671953 1069963487 /nfs/dbraw/zinc/96/34/87/1069963487.db2.gz YOMVJKOLDGYYJQ-UHFFFAOYSA-N 0 0 481.983 0.422 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cc(Cl)c3c(c2)OCCCO3)sc1=C(C#N)C#N ZINC000729671961 1069963500 /nfs/dbraw/zinc/96/35/00/1069963500.db2.gz ZAHCBULPUFLYDU-UHFFFAOYSA-N 0 0 465.940 0.796 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 ZINC000729671962 1069963671 /nfs/dbraw/zinc/96/36/71/1069963671.db2.gz RTHJLCKKNZAFMM-INIZCTEOSA-N 0 0 453.524 0.002 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 ZINC000729671965 1069963592 /nfs/dbraw/zinc/96/35/92/1069963592.db2.gz RTHJLCKKNZAFMM-MRXNPFEDSA-N 0 0 453.524 0.002 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671971 1069963629 /nfs/dbraw/zinc/96/36/29/1069963629.db2.gz ZEEVMWUQHLPTGX-UHFFFAOYSA-N 0 0 471.482 0.177 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671980 1069964452 /nfs/dbraw/zinc/96/44/52/1069964452.db2.gz ZGEWMQOFKLOPIU-UHFFFAOYSA-N 0 0 453.973 0.637 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000729671982 1069964281 /nfs/dbraw/zinc/96/42/81/1069964281.db2.gz ZGNXHPFDZDEAPB-UHFFFAOYSA-N 0 0 498.026 0.892 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729671995 1069964199 /nfs/dbraw/zinc/96/41/99/1069964199.db2.gz ZIUNVTAUCVHWPX-UHFFFAOYSA-N 0 0 463.581 0.381 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672005 1069962676 /nfs/dbraw/zinc/96/26/76/1069962676.db2.gz ZJOILUCOPUEGAG-UHFFFAOYSA-N 0 0 471.963 0.775 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000729672020 1069962725 /nfs/dbraw/zinc/96/27/25/1069962725.db2.gz ZNSUCMPBEHPFPT-UHFFFAOYSA-N 0 0 460.512 0.213 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O ZINC000729672022 1069962923 /nfs/dbraw/zinc/96/29/23/1069962923.db2.gz ZODBDLBADFIYOH-UHFFFAOYSA-N 0 0 499.561 0.278 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000729672059 1069962787 /nfs/dbraw/zinc/96/27/87/1069962787.db2.gz VBZRMZLOXVISIC-UHFFFAOYSA-N 0 0 450.568 0.635 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccc(OC)cc1 ZINC000729672072 1069962905 /nfs/dbraw/zinc/96/29/05/1069962905.db2.gz VRRHLWIOIASFKI-UHFFFAOYSA-N 0 0 489.557 0.880 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000729672075 1069962648 /nfs/dbraw/zinc/96/26/48/1069962648.db2.gz VYMGTJWXYJQKCS-UHFFFAOYSA-N 0 0 478.578 0.015 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000729672076 1069962667 /nfs/dbraw/zinc/96/26/67/1069962667.db2.gz WCHVRUNJTFQYCS-UHFFFAOYSA-N 0 0 480.594 0.165 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(C)c3)c(=O)n2CCOC)CC1 ZINC000729672130 1069962754 /nfs/dbraw/zinc/96/27/54/1069962754.db2.gz YLYIQDJPRGRVOY-UHFFFAOYSA-N 0 0 458.559 0.671 20 30 JCEDRN CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000729672169 1069962625 /nfs/dbraw/zinc/96/26/25/1069962625.db2.gz AIZTYBCRTUXLOR-UHFFFAOYSA-N 0 0 487.607 0.615 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000729672174 1069962888 /nfs/dbraw/zinc/96/28/88/1069962888.db2.gz APFLZJBGMWKFDJ-UHFFFAOYSA-N 0 0 472.530 0.675 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000729672241 1069962738 /nfs/dbraw/zinc/96/27/38/1069962738.db2.gz DNLQKHKZLZZRTA-UHFFFAOYSA-N 0 0 486.557 0.921 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000729672250 1069962818 /nfs/dbraw/zinc/96/28/18/1069962818.db2.gz DXEYODVFHMSPPP-UHFFFAOYSA-N 0 0 463.523 0.029 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000729672284 1069962827 /nfs/dbraw/zinc/96/28/27/1069962827.db2.gz GWOVGSPXYDWIQM-UHFFFAOYSA-N 0 0 477.550 0.419 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 ZINC000729672285 1069962844 /nfs/dbraw/zinc/96/28/44/1069962844.db2.gz GXLCDGVSMZHOOO-UHFFFAOYSA-N 0 0 486.557 0.557 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000729672333 1069961875 /nfs/dbraw/zinc/96/18/75/1069961875.db2.gz IRUNDZBIWXSERY-UHFFFAOYSA-N 0 0 470.514 0.427 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000729672339 1069961914 /nfs/dbraw/zinc/96/19/14/1069961914.db2.gz IXZVPVNENDWTJD-UHFFFAOYSA-N 0 0 470.514 0.451 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 ZINC000729672353 1069961804 /nfs/dbraw/zinc/96/18/04/1069961804.db2.gz JRMOBQISQKVMLU-HNNXBMFYSA-N 0 0 490.545 0.604 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 ZINC000729672354 1069962029 /nfs/dbraw/zinc/96/20/29/1069962029.db2.gz JRMOBQISQKVMLU-OAHLLOKOSA-N 0 0 490.545 0.604 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000729672358 1069961988 /nfs/dbraw/zinc/96/19/88/1069961988.db2.gz JTDYBWVQCBBFDE-UHFFFAOYSA-N 0 0 488.529 0.312 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 ZINC000729672395 1069962115 /nfs/dbraw/zinc/96/21/15/1069962115.db2.gz LVBPEFJOFWJIBV-UHFFFAOYSA-N 0 0 490.545 0.606 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O ZINC000729672408 1069962137 /nfs/dbraw/zinc/96/21/37/1069962137.db2.gz MRYJDHHRKGDXNS-UHFFFAOYSA-N 0 0 459.487 0.437 20 30 JCEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O ZINC000729672418 1069962697 /nfs/dbraw/zinc/96/26/97/1069962697.db2.gz NDNGZEQCLYWCIO-UHFFFAOYSA-N 0 0 473.470 0.157 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 ZINC000729672419 1070018750 /nfs/dbraw/zinc/01/87/50/1070018750.db2.gz NDRMFTRMHYMENU-UHFFFAOYSA-N 0 0 458.503 0.756 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000729672462 1069962175 /nfs/dbraw/zinc/96/21/75/1069962175.db2.gz PHUSTLPZLPDERA-UHFFFAOYSA-N 0 0 469.526 0.794 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)NC2CC2)cn1 ZINC000729672464 1069962080 /nfs/dbraw/zinc/96/20/80/1069962080.db2.gz PNBCHQWLMODBOV-UHFFFAOYSA-N 0 0 458.503 0.732 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 ZINC000729672490 1069962010 /nfs/dbraw/zinc/96/20/10/1069962010.db2.gz QIWJCKIFYWSSLL-UHFFFAOYSA-N 0 0 488.573 0.851 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cnn(CC)c1 ZINC000729672516 1069961940 /nfs/dbraw/zinc/96/19/40/1069961940.db2.gz RBOSCEHJPHVOFJ-UHFFFAOYSA-N 0 0 491.577 0.809 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 ZINC000729672532 1069965009 /nfs/dbraw/zinc/96/50/09/1069965009.db2.gz SGQFIYVNNDPLSM-UHFFFAOYSA-N 0 0 456.531 0.977 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)NC(C)C)cn1 ZINC000729672536 1069965016 /nfs/dbraw/zinc/96/50/16/1069965016.db2.gz SRJLTCOFFRJPAY-UHFFFAOYSA-N 0 0 460.519 0.978 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 ZINC000729672568 1069965143 /nfs/dbraw/zinc/96/51/43/1069965143.db2.gz VBOLYEHUVHMSGR-UHFFFAOYSA-N 0 0 460.519 0.980 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000729672580 1070018867 /nfs/dbraw/zinc/01/88/67/1070018867.db2.gz VUAMRWYKJGWPGU-UHFFFAOYSA-N 0 0 484.541 0.771 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 ZINC000729672585 1069964992 /nfs/dbraw/zinc/96/49/92/1069964992.db2.gz WAFWKXWQRZLSCR-UHFFFAOYSA-N 0 0 476.518 0.216 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000729672593 1069970620 /nfs/dbraw/zinc/97/06/20/1069970620.db2.gz WHBPDOGZKYZABL-UHFFFAOYSA-N 0 0 472.530 0.673 20 30 JCEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000729672603 1069971372 /nfs/dbraw/zinc/97/13/72/1069971372.db2.gz XAGNDKNCOATVMN-UHFFFAOYSA-N 0 0 481.537 0.890 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O ZINC000729672616 1069971331 /nfs/dbraw/zinc/97/13/31/1069971331.db2.gz YBKFZMGZPLHYTJ-UHFFFAOYSA-N 0 0 488.529 0.583 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(OC)ccc1OC ZINC000729672626 1069971437 /nfs/dbraw/zinc/97/14/37/1069971437.db2.gz YRXXZJIVFSSNCP-UHFFFAOYSA-N 0 0 461.503 0.813 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)c(F)c1 ZINC000729672633 1069971341 /nfs/dbraw/zinc/97/13/41/1069971341.db2.gz ZECHSXARYXGKHK-UHFFFAOYSA-N 0 0 493.520 0.960 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)N2CCCC2)cn1 ZINC000729672635 1069971397 /nfs/dbraw/zinc/97/13/97/1069971397.db2.gz ZGKVEASPHWFGLI-UHFFFAOYSA-N 0 0 459.535 0.889 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000729672636 1069971412 /nfs/dbraw/zinc/97/14/12/1069971412.db2.gz ZGXDCNYRYVNAOR-HNNXBMFYSA-N 0 0 477.550 0.417 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000729672637 1069971318 /nfs/dbraw/zinc/97/13/18/1069971318.db2.gz ZGXDCNYRYVNAOR-OAHLLOKOSA-N 0 0 477.550 0.417 20 30 JCEDRN CCn1cc(-n2c(=O)c(=Cc3cnn4ccccc34)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000729672646 1069971453 /nfs/dbraw/zinc/97/14/53/1069971453.db2.gz ZRFJUVCWXBHVPG-UHFFFAOYSA-N 0 0 475.534 0.125 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000729672649 1069971424 /nfs/dbraw/zinc/97/14/24/1069971424.db2.gz ZZANXRWLYISJEO-UHFFFAOYSA-N 0 0 462.516 0.280 20 30 JCEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)c1ccccc1 ZINC000729672656 1070019061 /nfs/dbraw/zinc/01/90/61/1070019061.db2.gz AMAZWUVHAHKROO-UHFFFAOYSA-N 0 0 493.570 0.493 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672658 1069971358 /nfs/dbraw/zinc/97/13/58/1069971358.db2.gz ANUHTNZIBTUQDY-UHFFFAOYSA-N 0 0 491.635 0.999 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCS(C)(=O)=O ZINC000729672661 1069971544 /nfs/dbraw/zinc/97/15/44/1069971544.db2.gz APRDBOLFGRKCNC-UHFFFAOYSA-N 0 0 473.580 0.021 20 30 JCEDRN Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCS(C)(=O)=O ZINC000729672662 1069971527 /nfs/dbraw/zinc/97/15/27/1069971527.db2.gz ASBXLUMTQJEREA-UHFFFAOYSA-N 0 0 462.578 0.444 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672667 1069971386 /nfs/dbraw/zinc/97/13/86/1069971386.db2.gz AVEMHIZNFMCQJX-UHFFFAOYSA-N 0 0 477.608 0.609 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 ZINC000729672668 1069971503 /nfs/dbraw/zinc/97/15/03/1069971503.db2.gz AVLPLWZISSBVFT-UHFFFAOYSA-N 0 0 474.546 0.461 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)C1CCC1 ZINC000729672673 1069971349 /nfs/dbraw/zinc/97/13/49/1069971349.db2.gz BHRNDEZLTUWRCN-UHFFFAOYSA-N 0 0 461.521 0.735 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729672675 1069971575 /nfs/dbraw/zinc/97/15/75/1069971575.db2.gz BNBPOZUIPIEQOH-UHFFFAOYSA-N 0 0 493.607 0.007 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729672681 1069971514 /nfs/dbraw/zinc/97/15/14/1069971514.db2.gz BSVPLOWLGRLPKS-UHFFFAOYSA-N 0 0 478.592 0.708 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672687 1069971561 /nfs/dbraw/zinc/97/15/61/1069971561.db2.gz BYEOEGTUXFODNJ-UHFFFAOYSA-N 0 0 493.607 0.007 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729672694 1069971480 /nfs/dbraw/zinc/97/14/80/1069971480.db2.gz CLSZDPYNHWMJAZ-UHFFFAOYSA-N 0 0 489.619 0.705 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729672695 1069972253 /nfs/dbraw/zinc/97/22/53/1069972253.db2.gz CLVMIHMFFJJCAA-UHFFFAOYSA-N 0 0 490.603 0.852 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000729672698 1069972118 /nfs/dbraw/zinc/97/21/18/1069972118.db2.gz CPLQIERILGQYMD-UHFFFAOYSA-N 0 0 473.580 0.225 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729672700 1069972089 /nfs/dbraw/zinc/97/20/89/1069972089.db2.gz CQIMLUFVMTYQRC-UHFFFAOYSA-N 0 0 463.556 0.527 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729672708 1069972077 /nfs/dbraw/zinc/97/20/77/1069972077.db2.gz DAVDKODAVGJXEY-UHFFFAOYSA-N 0 0 473.576 0.015 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729672711 1069972155 /nfs/dbraw/zinc/97/21/55/1069972155.db2.gz DDDHNRSGMKWCSD-UHFFFAOYSA-N 0 0 477.608 0.343 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000729672712 1069972097 /nfs/dbraw/zinc/97/20/97/1069972097.db2.gz DDJRVOLBHIFZLA-UHFFFAOYSA-N 0 0 451.545 0.430 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729672721 1069972273 /nfs/dbraw/zinc/97/22/73/1069972273.db2.gz DTUOXSKKVJJBCP-UHFFFAOYSA-N 0 0 459.593 0.883 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729672731 1069972246 /nfs/dbraw/zinc/97/22/46/1069972246.db2.gz FGYSACVACALRSO-UHFFFAOYSA-N 0 0 465.572 0.821 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)c(Br)c2)sc1=C(C#N)C#N ZINC000729672734 1069970018 /nfs/dbraw/zinc/97/00/18/1069970018.db2.gz FIBSFJZRMUUKOW-UHFFFAOYSA-N 0 0 456.318 0.883 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000729672737 1069970027 /nfs/dbraw/zinc/97/00/27/1069970027.db2.gz FMGZZALIIANXSD-UHFFFAOYSA-N 0 0 495.966 0.118 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)NC1CC1 ZINC000729672742 1069969937 /nfs/dbraw/zinc/96/99/37/1069969937.db2.gz FXRAOYROQGZBSI-UHFFFAOYSA-N 0 0 469.947 0.529 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672750 1069969968 /nfs/dbraw/zinc/96/99/68/1069969968.db2.gz GSJNERQOWPMVBL-UHFFFAOYSA-N 0 0 477.608 0.771 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCS(C)(=O)=O ZINC000729672752 1069969872 /nfs/dbraw/zinc/96/98/72/1069969872.db2.gz GTNJWHULZJZDLT-UHFFFAOYSA-N 0 0 497.602 0.441 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729672767 1069970037 /nfs/dbraw/zinc/97/00/37/1069970037.db2.gz HNXGGJFRTZVLDS-UHFFFAOYSA-N 0 0 495.586 0.193 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000729672768 1069969980 /nfs/dbraw/zinc/96/99/80/1069969980.db2.gz HOPOSHNRPKFUOK-UHFFFAOYSA-N 0 0 465.572 0.677 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672774 1069970078 /nfs/dbraw/zinc/97/00/78/1069970078.db2.gz HVNGLYCWULQSEC-UHFFFAOYSA-N 0 0 479.628 0.325 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O ZINC000729672777 1069970007 /nfs/dbraw/zinc/97/00/07/1069970007.db2.gz HXVNCTNPGAXNBC-CYBMUJFWSA-N 0 0 463.537 0.981 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O ZINC000729672778 1069970053 /nfs/dbraw/zinc/97/00/53/1069970053.db2.gz HXVNCTNPGAXNBC-ZDUSSCGKSA-N 0 0 463.537 0.981 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCS(C)(=O)=O ZINC000729672782 1069969859 /nfs/dbraw/zinc/96/98/59/1069969859.db2.gz IAVXITSLQMVGCX-UHFFFAOYSA-N 0 0 487.603 0.473 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(OCC(F)(F)F)cc2)sc1=C(C#N)C#N ZINC000729672788 1069970064 /nfs/dbraw/zinc/97/00/64/1069970064.db2.gz IHRPSNBSRUCIMO-UHFFFAOYSA-N 0 0 457.455 0.922 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 ZINC000729672791 1069969830 /nfs/dbraw/zinc/96/98/30/1069969830.db2.gz IMJIWDUOBSHJAL-UHFFFAOYSA-N 0 0 488.573 0.851 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729672793 1069970702 /nfs/dbraw/zinc/97/07/02/1069970702.db2.gz IQDKOOZTBLIDBB-UHFFFAOYSA-N 0 0 487.603 0.451 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 ZINC000729672801 1069970729 /nfs/dbraw/zinc/97/07/29/1069970729.db2.gz JDKAUWMSKKQGLB-UHFFFAOYSA-N 0 0 492.948 0.957 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000729672803 1069970813 /nfs/dbraw/zinc/97/08/13/1069970813.db2.gz JESCBNISUQPHBJ-UHFFFAOYSA-N 0 0 491.639 0.468 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O ZINC000729672815 1069970653 /nfs/dbraw/zinc/97/06/53/1069970653.db2.gz JTAZUQMUIYAJJK-UHFFFAOYSA-N 0 0 463.537 0.981 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1F ZINC000729672817 1069970689 /nfs/dbraw/zinc/97/06/89/1069970689.db2.gz JUAAGUMEWIWECR-UHFFFAOYSA-N 0 0 493.582 0.664 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCS(C)(=O)=O ZINC000729672821 1069970790 /nfs/dbraw/zinc/97/07/90/1069970790.db2.gz JWLUAOZCOYHLDV-UHFFFAOYSA-N 0 0 472.548 0.082 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(Cl)c2)n(CCS(C)(=O)=O)c1=O ZINC000729672822 1069970722 /nfs/dbraw/zinc/97/07/22/1069970722.db2.gz JXLOXZWIOULDIA-UHFFFAOYSA-N 0 0 476.967 0.727 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(CCS(C)(=O)=O)c1=O ZINC000729672825 1069970640 /nfs/dbraw/zinc/97/06/40/1069970640.db2.gz KATTVBWSQKOCAK-UHFFFAOYSA-N 0 0 460.512 0.213 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c1=O ZINC000729672831 1069970666 /nfs/dbraw/zinc/97/06/66/1069970666.db2.gz KHWKVQRPWINWJG-UHFFFAOYSA-N 0 0 493.563 0.989 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729672838 1069970757 /nfs/dbraw/zinc/97/07/57/1069970757.db2.gz KUEBOPYLTDFLRG-UHFFFAOYSA-N 0 0 491.635 0.734 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 ZINC000729672843 1069970763 /nfs/dbraw/zinc/97/07/63/1069970763.db2.gz LAPBATZMXYGFAY-UHFFFAOYSA-N 0 0 486.557 0.557 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCS(C)(=O)=O ZINC000729672853 1069970834 /nfs/dbraw/zinc/97/08/34/1069970834.db2.gz LTVUPUXKTMNMAV-UHFFFAOYSA-N 0 0 475.592 0.165 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCS(C)(=O)=O ZINC000729672856 1069970770 /nfs/dbraw/zinc/97/07/70/1069970770.db2.gz LXXFOUNLKSDUMX-UHFFFAOYSA-N 0 0 495.586 0.217 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CCS(C)(=O)=O ZINC000729672862 1069970822 /nfs/dbraw/zinc/97/08/22/1069970822.db2.gz MCMGENABUCPKTA-UHFFFAOYSA-N 0 0 497.982 0.364 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672865 1069970677 /nfs/dbraw/zinc/97/06/77/1069970677.db2.gz MERYKYXLVIHWRC-UHFFFAOYSA-N 0 0 481.571 0.521 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1F ZINC000729672868 1069970747 /nfs/dbraw/zinc/97/07/47/1069970747.db2.gz MHPVJHMVEZHKLD-UHFFFAOYSA-N 0 0 481.571 0.377 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729672869 1069970737 /nfs/dbraw/zinc/97/07/37/1069970737.db2.gz MHSGKGHDXKYSBT-UHFFFAOYSA-N 0 0 485.591 0.164 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O ZINC000729672871 1069970782 /nfs/dbraw/zinc/97/07/82/1069970782.db2.gz MIMOOSLNZNKCRX-UHFFFAOYSA-N 0 0 463.537 0.981 20 30 JCEDRN CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CCS(C)(=O)=O)c3=O)ccc2O1 ZINC000729672876 1069970802 /nfs/dbraw/zinc/97/08/02/1069970802.db2.gz MLJQSFRSTPPRLV-UHFFFAOYSA-N 0 0 487.603 0.450 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729672878 1069968530 /nfs/dbraw/zinc/96/85/30/1069968530.db2.gz MOMVKMPZAZAPBU-UHFFFAOYSA-N 0 0 451.545 0.431 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000729672879 1069968426 /nfs/dbraw/zinc/96/84/26/1069968426.db2.gz MSGKZFVJXHIPPR-UHFFFAOYSA-N 0 0 462.597 0.778 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CCS(C)(=O)=O ZINC000729672880 1069968384 /nfs/dbraw/zinc/96/83/84/1069968384.db2.gz MSSBCTDNJVNQJS-UHFFFAOYSA-N 0 0 497.982 0.366 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)C1CCC1 ZINC000729672883 1069968635 /nfs/dbraw/zinc/96/86/35/1069968635.db2.gz MUSQHGTVLYJMSM-UHFFFAOYSA-N 0 0 458.561 0.762 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 ZINC000729672892 1069968600 /nfs/dbraw/zinc/96/86/00/1069968600.db2.gz NCLXHQKCTJKSQI-UHFFFAOYSA-N 0 0 480.937 0.861 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729672896 1069968584 /nfs/dbraw/zinc/96/85/84/1069968584.db2.gz NHUUJUFGCDJEHX-UHFFFAOYSA-N 0 0 469.947 0.552 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672897 1069969177 /nfs/dbraw/zinc/96/91/77/1069969177.db2.gz NIWMSSGHEOPLNS-UHFFFAOYSA-N 0 0 450.586 0.634 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672898 1069969258 /nfs/dbraw/zinc/96/92/58/1069969258.db2.gz NLOVQBNZXXOKDK-UHFFFAOYSA-N 0 0 495.648 0.714 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(CCS(C)(=O)=O)c1=O ZINC000729672900 1069969187 /nfs/dbraw/zinc/96/91/87/1069969187.db2.gz NRXIIIYCEBMXDQ-UHFFFAOYSA-N 0 0 460.512 0.213 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672905 1069969217 /nfs/dbraw/zinc/96/92/17/1069969217.db2.gz NVUHMAXOWQDWQD-UHFFFAOYSA-N 0 0 467.544 0.131 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729672910 1069969347 /nfs/dbraw/zinc/96/93/47/1069969347.db2.gz NZTNUDMWFZJEBT-UHFFFAOYSA-N 0 0 477.608 0.608 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)ccc1SC ZINC000729672918 1069969181 /nfs/dbraw/zinc/96/91/81/1069969181.db2.gz OFVSQNGBUJJMSF-UHFFFAOYSA-N 0 0 495.648 0.713 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1F ZINC000729672924 1069969200 /nfs/dbraw/zinc/96/92/00/1069969200.db2.gz OSPSFQFPDHSCRV-UHFFFAOYSA-N 0 0 452.529 0.830 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)c1ccccc1 ZINC000729672925 1069969276 /nfs/dbraw/zinc/96/92/76/1069969276.db2.gz OSSHHULYRNEFLF-UHFFFAOYSA-N 0 0 478.555 0.988 20 30 JCEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000729672930 1069969227 /nfs/dbraw/zinc/96/92/27/1069969227.db2.gz OXORUJUIEQKBEG-UHFFFAOYSA-N 0 0 487.607 0.615 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCS(C)(=O)=O ZINC000729672937 1069969267 /nfs/dbraw/zinc/96/92/67/1069969267.db2.gz PFPORQAOKUOQDH-UHFFFAOYSA-N 0 0 458.565 0.720 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729672953 1069969247 /nfs/dbraw/zinc/96/92/47/1069969247.db2.gz AFAOOFCZSZTBTO-UHFFFAOYSA-N 0 0 491.635 0.617 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O ZINC000729672954 1069969236 /nfs/dbraw/zinc/96/92/36/1069969236.db2.gz AFUJRWHUOAPVGG-UHFFFAOYSA-N 0 0 451.545 0.369 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672960 1069969303 /nfs/dbraw/zinc/96/93/03/1069969303.db2.gz ALFRFWFUTPHBGA-UHFFFAOYSA-N 0 0 451.545 0.513 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729672961 1069969161 /nfs/dbraw/zinc/96/91/61/1069969161.db2.gz ALYKFVDETXHWMA-UHFFFAOYSA-N 0 0 491.591 0.016 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729672964 1069969207 /nfs/dbraw/zinc/96/92/07/1069969207.db2.gz ANHYCKZIIDIERK-UHFFFAOYSA-N 0 0 485.534 0.583 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCS(C)(=O)=O ZINC000729672973 1069969327 /nfs/dbraw/zinc/96/93/27/1069969327.db2.gz AXMNRRUDROEAEQ-UHFFFAOYSA-N 0 0 453.611 0.744 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729672978 1069969316 /nfs/dbraw/zinc/96/93/16/1069969316.db2.gz AYVAJRPQFNULNA-UHFFFAOYSA-N 0 0 459.593 0.825 20 30 JCEDRN Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCS(C)(=O)=O)c1C ZINC000729672979 1069969193 /nfs/dbraw/zinc/96/91/93/1069969193.db2.gz QELJQHWJECXJKM-UHFFFAOYSA-N 0 0 470.576 0.691 20 30 JCEDRN COc1ccc(Br)cc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O ZINC000729672988 1069969287 /nfs/dbraw/zinc/96/92/87/1069969287.db2.gz BFMXANFOCZGDOM-UHFFFAOYSA-N 0 0 468.354 0.752 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729672992 1069969360 /nfs/dbraw/zinc/96/93/60/1069969360.db2.gz QLOGTNVKAPCHPN-UHFFFAOYSA-N 0 0 475.592 0.362 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCS(C)(=O)=O ZINC000729672996 1069969846 /nfs/dbraw/zinc/96/98/46/1069969846.db2.gz QMOMNFQTBANZSO-AWEZNQCLSA-N 0 0 458.565 0.720 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCS(C)(=O)=O ZINC000729672998 1069969995 /nfs/dbraw/zinc/96/99/95/1069969995.db2.gz QMOMNFQTBANZSO-CQSZACIVSA-N 0 0 458.565 0.720 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 ZINC000729673001 1069969885 /nfs/dbraw/zinc/96/98/85/1069969885.db2.gz QPYJNKRXZSWSGH-UHFFFAOYSA-N 0 0 456.531 0.977 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729673016 1069969925 /nfs/dbraw/zinc/96/99/25/1069969925.db2.gz QWQWIKDBJSFBEQ-UHFFFAOYSA-N 0 0 471.963 0.775 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)C1CCC1 ZINC000729673018 1069969915 /nfs/dbraw/zinc/96/99/15/1069969915.db2.gz QXJDFOWJDJMTSD-UHFFFAOYSA-N 0 0 456.549 0.474 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O ZINC000729673022 1069969951 /nfs/dbraw/zinc/96/99/51/1069969951.db2.gz BZVRHJMKNIYOHC-UHFFFAOYSA-N 0 0 484.603 0.922 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729673029 1069958933 /nfs/dbraw/zinc/95/89/33/1069958933.db2.gz CELJUHOBUJXJEU-UHFFFAOYSA-N 0 0 475.592 0.525 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729673036 1069959144 /nfs/dbraw/zinc/95/91/44/1069959144.db2.gz RLDZKWLKKWXNFT-UHFFFAOYSA-N 0 0 487.962 0.013 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)ccc1SC ZINC000729673042 1069959773 /nfs/dbraw/zinc/95/97/73/1069959773.db2.gz RPAUVSNOSGLKPC-UHFFFAOYSA-N 0 0 493.632 0.467 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673047 1069959665 /nfs/dbraw/zinc/95/96/65/1069959665.db2.gz RUKDOIQHNKPGMV-UHFFFAOYSA-N 0 0 477.608 0.769 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673066 1069959706 /nfs/dbraw/zinc/95/97/06/1069959706.db2.gz CWURLHREKSOWCH-UHFFFAOYSA-N 0 0 463.581 0.238 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1F ZINC000729673068 1069959639 /nfs/dbraw/zinc/95/96/39/1069959639.db2.gz SBZJHIJSCUJOHU-UHFFFAOYSA-N 0 0 467.544 0.130 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673080 1069959627 /nfs/dbraw/zinc/95/96/27/1069959627.db2.gz DAJUDPHJZBXKHT-UHFFFAOYSA-N 0 0 495.648 0.332 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O ZINC000729673083 1069959798 /nfs/dbraw/zinc/95/97/98/1069959798.db2.gz DCPAUSDRIZOKTR-UHFFFAOYSA-N 0 0 470.576 0.532 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 ZINC000729673086 1069959718 /nfs/dbraw/zinc/95/97/18/1069959718.db2.gz SLDCQFORVGOYHV-KRWDZBQOSA-N 0 0 488.573 0.849 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 ZINC000729673088 1069959654 /nfs/dbraw/zinc/95/96/54/1069959654.db2.gz SLDCQFORVGOYHV-QGZVFWFLSA-N 0 0 488.573 0.849 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)s1 ZINC000729673089 1069959734 /nfs/dbraw/zinc/95/97/34/1069959734.db2.gz DHVGZXNFFGWGRB-UHFFFAOYSA-N 0 0 465.622 0.886 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673091 1069959817 /nfs/dbraw/zinc/95/98/17/1069959817.db2.gz DJNRBOVWZPBXLC-UHFFFAOYSA-N 0 0 461.609 0.792 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c(C)c1 ZINC000729673102 1069961968 /nfs/dbraw/zinc/96/19/68/1069961968.db2.gz DVKPZEAFOPBEGY-UHFFFAOYSA-N 0 0 461.609 0.847 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673106 1069962687 /nfs/dbraw/zinc/96/26/87/1069962687.db2.gz DXYGJIRDDDTHPD-UHFFFAOYSA-N 0 0 462.549 0.469 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729673110 1069962657 /nfs/dbraw/zinc/96/26/57/1069962657.db2.gz SSZFLUYFHDILMK-UHFFFAOYSA-N 0 0 475.548 0.150 20 30 JCEDRN CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673112 1069963701 /nfs/dbraw/zinc/96/37/01/1069963701.db2.gz STQWPHBKJHXHDF-UHFFFAOYSA-N 0 0 489.619 0.440 20 30 JCEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729673120 1069967880 /nfs/dbraw/zinc/96/78/80/1069967880.db2.gz TUTLRFDPMWKUJL-UHFFFAOYSA-N 0 0 477.583 0.964 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729673124 1069967567 /nfs/dbraw/zinc/96/75/67/1069967567.db2.gz TXPFYZUNPUGHEJ-UHFFFAOYSA-N 0 0 499.973 0.109 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673125 1069967870 /nfs/dbraw/zinc/96/78/70/1069967870.db2.gz TXVUGJNFXWRUDD-UHFFFAOYSA-N 0 0 475.592 0.523 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729673127 1069968517 /nfs/dbraw/zinc/96/85/17/1069968517.db2.gz UCCOYTBAOWNCDB-UHFFFAOYSA-N 0 0 483.974 0.872 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673128 1069968657 /nfs/dbraw/zinc/96/86/57/1069968657.db2.gz UDDBKOUXLUGKAI-UHFFFAOYSA-N 0 0 481.571 0.058 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000729673139 1069968545 /nfs/dbraw/zinc/96/85/45/1069968545.db2.gz UPVRRKIECRXEPP-AWEZNQCLSA-N 0 0 473.580 0.225 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000729673140 1069968675 /nfs/dbraw/zinc/96/86/75/1069968675.db2.gz UPVRRKIECRXEPP-CQSZACIVSA-N 0 0 473.580 0.225 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCS(C)(=O)=O ZINC000729673141 1069968440 /nfs/dbraw/zinc/96/84/40/1069968440.db2.gz URBYYQOATXOLDJ-UHFFFAOYSA-N 0 0 489.619 0.697 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673144 1069968624 /nfs/dbraw/zinc/96/86/24/1069968624.db2.gz UURKAVBIRKDKFR-UHFFFAOYSA-N 0 0 493.632 0.490 20 30 JCEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1C ZINC000729673146 1069968404 /nfs/dbraw/zinc/96/84/04/1069968404.db2.gz VBGKQFSKJWZHPM-UHFFFAOYSA-N 0 0 491.635 0.855 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673152 1069968562 /nfs/dbraw/zinc/96/85/62/1069968562.db2.gz FMLNALNQUFUBKE-UHFFFAOYSA-N 0 0 459.593 0.642 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673153 1069968502 /nfs/dbraw/zinc/96/85/02/1069968502.db2.gz FOIMLGJFQWHSPY-UHFFFAOYSA-N 0 0 499.561 0.831 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729673154 1069968458 /nfs/dbraw/zinc/96/84/58/1069968458.db2.gz FPVQFXWWQURWMB-UHFFFAOYSA-N 0 0 483.518 0.337 20 30 JCEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729673156 1069968474 /nfs/dbraw/zinc/96/84/74/1069968474.db2.gz FQZNFEUKOLJOQL-UHFFFAOYSA-N 0 0 459.593 0.825 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673157 1069968694 /nfs/dbraw/zinc/96/86/94/1069968694.db2.gz FUFFRMXVYARIHS-UHFFFAOYSA-N 0 0 463.606 0.482 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673161 1069968572 /nfs/dbraw/zinc/96/85/72/1069968572.db2.gz FYTHCCLZAWMTOS-UHFFFAOYSA-N 0 0 477.608 0.309 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCS(C)(=O)=O ZINC000729673168 1069968486 /nfs/dbraw/zinc/96/84/86/1069968486.db2.gz GGARBNSCSMECJJ-UHFFFAOYSA-N 0 0 453.611 0.744 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673171 1069958369 /nfs/dbraw/zinc/95/83/69/1069958369.db2.gz GIWOEBMIIMIBRM-UHFFFAOYSA-N 0 0 461.609 0.991 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673175 1069958310 /nfs/dbraw/zinc/95/83/10/1069958310.db2.gz GPWYLRDCFLHPPD-UHFFFAOYSA-N 0 0 459.593 0.825 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673186 1069958174 /nfs/dbraw/zinc/95/81/74/1069958174.db2.gz HAFKRYKVQMXADD-UHFFFAOYSA-N 0 0 459.593 0.697 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673192 1069958104 /nfs/dbraw/zinc/95/81/04/1069958104.db2.gz HKEQOJZCLCRBPO-UHFFFAOYSA-N 0 0 477.633 0.802 20 30 JCEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673195 1069958192 /nfs/dbraw/zinc/95/81/92/1069958192.db2.gz HNLPVLKOYVVMKI-UHFFFAOYSA-N 0 0 461.609 0.847 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729673204 1069958280 /nfs/dbraw/zinc/95/82/80/1069958280.db2.gz IFFCNYUBRATAFF-UHFFFAOYSA-N 0 0 482.587 0.628 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673221 1069958124 /nfs/dbraw/zinc/95/81/24/1069958124.db2.gz IYQMEXVRFPYTEJ-UHFFFAOYSA-N 0 0 479.649 0.952 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729673225 1069958082 /nfs/dbraw/zinc/95/80/82/1069958082.db2.gz JBTXOUBLJLZQAC-UHFFFAOYSA-N 0 0 463.556 0.655 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCS(C)(=O)=O ZINC000729673228 1069959038 /nfs/dbraw/zinc/95/90/38/1069959038.db2.gz JLXGBBWDKNYVLW-UHFFFAOYSA-N 0 0 463.581 0.382 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673237 1069959086 /nfs/dbraw/zinc/95/90/86/1069959086.db2.gz JWCMJBBWTVKCSI-UHFFFAOYSA-N 0 0 474.560 0.613 20 30 JCEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673250 1069958946 /nfs/dbraw/zinc/95/89/46/1069958946.db2.gz VFXKDZIIXVFXHY-UHFFFAOYSA-N 0 0 489.619 0.867 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCS(C)(=O)=O ZINC000729673257 1069959117 /nfs/dbraw/zinc/95/91/17/1069959117.db2.gz VTHODIMHKKDGOF-UHFFFAOYSA-N 0 0 497.602 0.439 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673260 1069958954 /nfs/dbraw/zinc/95/89/54/1069958954.db2.gz VXKKSTDBWMICGB-UHFFFAOYSA-N 0 0 478.552 0.282 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000729673261 1069958992 /nfs/dbraw/zinc/95/89/92/1069958992.db2.gz VXRJVLLNXZHXAP-UHFFFAOYSA-N 0 0 477.612 0.031 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673267 1069959071 /nfs/dbraw/zinc/95/90/71/1069959071.db2.gz WGEGFAYFDJTVHS-UHFFFAOYSA-N 0 0 475.592 0.547 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCS(C)(=O)=O ZINC000729673272 1069958969 /nfs/dbraw/zinc/95/89/69/1069958969.db2.gz WLZSSWOMXOIQJJ-UHFFFAOYSA-N 0 0 489.619 0.696 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673276 1069958978 /nfs/dbraw/zinc/95/89/78/1069958978.db2.gz WOHOBALSIYWPJY-UHFFFAOYSA-N 0 0 478.552 0.138 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1F ZINC000729673289 1069959058 /nfs/dbraw/zinc/95/90/58/1069959058.db2.gz XHWFMWSTOMNMJG-UHFFFAOYSA-N 0 0 479.555 0.228 20 30 JCEDRN CCOc1c(OC)cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1OC ZINC000729673294 1069959128 /nfs/dbraw/zinc/95/91/28/1069959128.db2.gz XPLLACIJCAXXFX-UHFFFAOYSA-N 0 0 463.537 0.397 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CCS(C)(=O)=O ZINC000729673295 1069959046 /nfs/dbraw/zinc/95/90/46/1069959046.db2.gz XQJMJMZSASPWAY-UHFFFAOYSA-N 0 0 495.966 0.142 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000729673300 1069958899 /nfs/dbraw/zinc/95/88/99/1069958899.db2.gz XUFNYVNOGZGMES-UHFFFAOYSA-N 0 0 493.570 0.744 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673301 1069958917 /nfs/dbraw/zinc/95/89/17/1069958917.db2.gz XVDOHAOXQBEHSK-UHFFFAOYSA-N 0 0 495.598 0.448 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729673304 1069959105 /nfs/dbraw/zinc/95/91/05/1069959105.db2.gz XZIKWJWQFMSSOX-UHFFFAOYSA-N 0 0 471.963 0.776 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cc1F ZINC000729673305 1069959026 /nfs/dbraw/zinc/95/90/26/1069959026.db2.gz XZMONHWLLCSBQI-UHFFFAOYSA-N 0 0 464.540 0.974 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673309 1069959014 /nfs/dbraw/zinc/95/90/14/1069959014.db2.gz YDHXCICNNDAAJD-UHFFFAOYSA-N 0 0 479.628 0.181 20 30 JCEDRN Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCS(C)(=O)=O)c1 ZINC000729673311 1069959000 /nfs/dbraw/zinc/95/90/00/1069959000.db2.gz YGCMUTQRKGHYPQ-UHFFFAOYSA-N 0 0 470.576 0.691 20 30 JCEDRN CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673316 1069965658 /nfs/dbraw/zinc/96/56/58/1069965658.db2.gz YNEAGVFAPXNKQX-UHFFFAOYSA-N 0 0 459.593 0.859 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCNS(C)(=O)=O ZINC000729673329 1069965752 /nfs/dbraw/zinc/96/57/52/1069965752.db2.gz ZCYZAAGSMXLGBA-UHFFFAOYSA-N 0 0 473.580 0.225 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729673332 1069965764 /nfs/dbraw/zinc/96/57/64/1069965764.db2.gz ZESSJXXFZATLAT-UHFFFAOYSA-N 0 0 490.563 0.424 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCS(C)(=O)=O ZINC000729673334 1069965811 /nfs/dbraw/zinc/96/58/11/1069965811.db2.gz ZFZPUABKVKMZHI-UHFFFAOYSA-N 0 0 458.565 0.720 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673344 1069965648 /nfs/dbraw/zinc/96/56/48/1069965648.db2.gz KVLQDXXGTDMUPL-UHFFFAOYSA-N 0 0 491.635 0.617 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1=C(C#N)C#N ZINC000729673345 1069957635 /nfs/dbraw/zinc/95/76/35/1069957635.db2.gz ZXXWCJJNONSYDP-UHFFFAOYSA-N 0 0 470.435 0.491 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673348 1069957584 /nfs/dbraw/zinc/95/75/84/1069957584.db2.gz LAWQGIXHXUTKTJ-UHFFFAOYSA-N 0 0 476.576 0.859 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673366 1069957657 /nfs/dbraw/zinc/95/76/57/1069957657.db2.gz LRTHNCSYQJIGAC-AWEZNQCLSA-N 0 0 476.576 0.859 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673367 1069957697 /nfs/dbraw/zinc/95/76/97/1069957697.db2.gz LRTHNCSYQJIGAC-CQSZACIVSA-N 0 0 476.576 0.859 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673382 1069957516 /nfs/dbraw/zinc/95/75/16/1069957516.db2.gz MPFGBXWKFHAEDN-UHFFFAOYSA-N 0 0 481.571 0.139 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCS(C)(=O)=O ZINC000729673385 1069957745 /nfs/dbraw/zinc/95/77/45/1069957745.db2.gz MRHFYTITBWQPHO-UHFFFAOYSA-N 0 0 469.610 0.062 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673395 1069957611 /nfs/dbraw/zinc/95/76/11/1069957611.db2.gz NELVYMHUAFMKDK-UHFFFAOYSA-N 0 0 461.609 0.936 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673400 1069957557 /nfs/dbraw/zinc/95/75/57/1069957557.db2.gz NMCIQTLWDCWQDD-UHFFFAOYSA-N 0 0 477.608 0.309 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673403 1069957572 /nfs/dbraw/zinc/95/75/72/1069957572.db2.gz NSCRHSBWMNWRIV-UHFFFAOYSA-N 0 0 499.561 0.975 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673404 1069957647 /nfs/dbraw/zinc/95/76/47/1069957647.db2.gz NSTXXOMCWCFLPH-UHFFFAOYSA-N 0 0 485.509 0.778 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)s1 ZINC000729673406 1069958266 /nfs/dbraw/zinc/95/82/66/1069958266.db2.gz NURAILBTYFTDQW-UHFFFAOYSA-N 0 0 453.611 0.600 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673411 1069958388 /nfs/dbraw/zinc/95/83/88/1069958388.db2.gz NWPSNFIXFBYILS-UHFFFAOYSA-N 0 0 483.518 0.361 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673414 1069958216 /nfs/dbraw/zinc/95/82/16/1069958216.db2.gz OCZPIOBESBXXKW-UHFFFAOYSA-N 0 0 475.592 0.525 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673417 1069958056 /nfs/dbraw/zinc/95/80/56/1069958056.db2.gz OGHJHFOEPDMZJU-UHFFFAOYSA-N 0 0 476.576 0.859 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673420 1069958339 /nfs/dbraw/zinc/95/83/39/1069958339.db2.gz OLJOPIUYEDRNQI-UHFFFAOYSA-N 0 0 463.581 0.382 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673428 1069958153 /nfs/dbraw/zinc/95/81/53/1069958153.db2.gz OYLVQXYNWLBAJE-UHFFFAOYSA-N 0 0 461.609 0.991 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673429 1069958230 /nfs/dbraw/zinc/95/82/30/1069958230.db2.gz OYXRHCCIZOMOFB-UHFFFAOYSA-N 0 0 451.545 0.369 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673430 1069958253 /nfs/dbraw/zinc/95/82/53/1069958253.db2.gz PFRSQFWQSFGADB-UHFFFAOYSA-N 0 0 463.606 0.458 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000729673432 1069958294 /nfs/dbraw/zinc/95/82/94/1069958294.db2.gz PGEWRMCMLFHLNO-UHFFFAOYSA-N 0 0 453.611 0.600 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673451 1069958206 /nfs/dbraw/zinc/95/82/06/1069958206.db2.gz QAXNWCDTCGTQHJ-UHFFFAOYSA-N 0 0 477.608 0.227 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729673455 1069958328 /nfs/dbraw/zinc/95/83/28/1069958328.db2.gz QCYGTVHQWIWHCC-UHFFFAOYSA-N 0 0 468.560 0.284 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O ZINC000729673458 1069958350 /nfs/dbraw/zinc/95/83/50/1069958350.db2.gz QGQDXIIYCRIODZ-UHFFFAOYSA-N 0 0 451.545 0.513 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O ZINC000729673464 1069965798 /nfs/dbraw/zinc/96/57/98/1069965798.db2.gz QTSAKYZPERHEMK-UHFFFAOYSA-N 0 0 468.560 0.308 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(C(F)(F)F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729673470 1069965709 /nfs/dbraw/zinc/96/57/09/1069965709.db2.gz QYKSCOASVFHJEE-UHFFFAOYSA-N 0 0 485.509 0.755 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c(C)c1 ZINC000729673477 1069965691 /nfs/dbraw/zinc/96/56/91/1069965691.db2.gz RJOYWSQLRCWAIO-UHFFFAOYSA-N 0 0 459.593 0.697 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C#N ZINC000729673494 1069965730 /nfs/dbraw/zinc/96/57/30/1069965730.db2.gz SIQFRXWFFYTSGY-UHFFFAOYSA-N 0 0 485.328 0.586 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673496 1069965682 /nfs/dbraw/zinc/96/56/82/1069965682.db2.gz SJXMPKVUVUOYBZ-UHFFFAOYSA-N 0 0 465.622 0.704 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729673499 1069965636 /nfs/dbraw/zinc/96/56/36/1069965636.db2.gz SOEBEOVUVJDQDD-UHFFFAOYSA-N 0 0 497.545 0.681 20 30 JCEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673500 1069965668 /nfs/dbraw/zinc/96/56/68/1069965668.db2.gz SPNSLCNDNZWODL-UHFFFAOYSA-N 0 0 461.565 0.088 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O ZINC000729673509 1069965740 /nfs/dbraw/zinc/96/57/40/1069965740.db2.gz SURSKNQOMLBDOW-UHFFFAOYSA-N 0 0 470.576 0.530 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673513 1069965629 /nfs/dbraw/zinc/96/56/29/1069965629.db2.gz SXPINSOVKPGTOG-UHFFFAOYSA-N 0 0 483.637 0.370 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc(Br)c1O ZINC000729673533 1069972227 /nfs/dbraw/zinc/97/22/27/1069972227.db2.gz UHXVJEOSNCPPAS-UHFFFAOYSA-N 0 0 484.353 0.458 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673541 1069972177 /nfs/dbraw/zinc/97/21/77/1069972177.db2.gz UPJWJKNPENZEBN-UHFFFAOYSA-N 0 0 477.608 0.309 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673543 1069972278 /nfs/dbraw/zinc/97/22/78/1069972278.db2.gz URCNLAICFQUTGI-UHFFFAOYSA-N 0 0 485.534 0.585 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729673563 1069972266 /nfs/dbraw/zinc/97/22/66/1069972266.db2.gz VNYUMVRUKIIWGV-UHFFFAOYSA-N 0 0 465.622 0.886 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729673579 1069972218 /nfs/dbraw/zinc/97/22/18/1069972218.db2.gz WINSSKWTAWGHJD-UHFFFAOYSA-N 0 0 451.595 0.578 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729673589 1069972127 /nfs/dbraw/zinc/97/21/27/1069972127.db2.gz WQJUWBREHJCIGZ-UHFFFAOYSA-N 0 0 461.565 0.088 20 30 JCEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729673594 1069972145 /nfs/dbraw/zinc/97/21/45/1069972145.db2.gz XARXJDANCFKCJC-UHFFFAOYSA-N 0 0 451.595 0.450 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729673597 1069972166 /nfs/dbraw/zinc/97/21/66/1069972166.db2.gz XCZGTPQMXSFOIS-UHFFFAOYSA-N 0 0 463.556 0.655 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCS(C)(=O)=O ZINC000729673613 1069966550 /nfs/dbraw/zinc/96/65/50/1069966550.db2.gz XQFOJEZQQSTUMM-UHFFFAOYSA-N 0 0 477.608 0.227 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673615 1070018764 /nfs/dbraw/zinc/01/87/64/1070018764.db2.gz XTHVLBUAHOSBKP-UHFFFAOYSA-N 0 0 477.608 0.173 20 30 JCEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000729673617 1070018832 /nfs/dbraw/zinc/01/88/32/1070018832.db2.gz XVJSEBNJYIWHHM-UHFFFAOYSA-N 0 0 463.581 0.238 20 30 JCEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729673618 1069966463 /nfs/dbraw/zinc/96/64/63/1069966463.db2.gz XVNVPJXVSMNSDT-UHFFFAOYSA-N 0 0 493.632 0.038 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O ZINC000729673621 1069966412 /nfs/dbraw/zinc/96/64/12/1069966412.db2.gz YARAAGDQNRZXGF-UHFFFAOYSA-N 0 0 481.571 0.139 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673623 1069966317 /nfs/dbraw/zinc/96/63/17/1069966317.db2.gz YDTCXQOKMAGGBQ-UHFFFAOYSA-N 0 0 491.591 0.160 20 30 JCEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)s1 ZINC000729673624 1069966377 /nfs/dbraw/zinc/96/63/77/1069966377.db2.gz YELZQZCKYLRNIS-UHFFFAOYSA-N 0 0 451.595 0.450 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCS(C)(=O)=O ZINC000729673637 1069966473 /nfs/dbraw/zinc/96/64/73/1069966473.db2.gz YYCRHCCZBJLSAL-UHFFFAOYSA-N 0 0 484.603 0.778 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCS(C)(=O)=O ZINC000729673644 1069966513 /nfs/dbraw/zinc/96/65/13/1069966513.db2.gz ZEMFGRJRJHASAS-UHFFFAOYSA-N 0 0 483.637 0.370 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673647 1069966494 /nfs/dbraw/zinc/96/64/94/1069966494.db2.gz ZHEZXQFOSDMWTF-UHFFFAOYSA-N 0 0 465.622 0.706 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729674061 1069965716 /nfs/dbraw/zinc/96/57/16/1069965716.db2.gz ABLAQOSYNMQGCS-UHFFFAOYSA-N 0 0 451.595 0.578 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674076 1069965787 /nfs/dbraw/zinc/96/57/87/1069965787.db2.gz AMFDSNSXQWJNRI-UHFFFAOYSA-N 0 0 451.957 0.413 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674080 1069965820 /nfs/dbraw/zinc/96/58/20/1069965820.db2.gz AVTSALSJPLSBEB-UHFFFAOYSA-N 0 0 463.581 0.382 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)NC1CC1 ZINC000729674086 1069965618 /nfs/dbraw/zinc/96/56/18/1069965618.db2.gz AXCBBOHUABNFFS-UHFFFAOYSA-N 0 0 451.957 0.389 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729674088 1069965700 /nfs/dbraw/zinc/96/57/00/1069965700.db2.gz AXINBUXMMNRKKV-UHFFFAOYSA-N 0 0 497.545 0.681 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729674090 1069965777 /nfs/dbraw/zinc/96/57/77/1069965777.db2.gz AXTMMPDVMWEGMB-UHFFFAOYSA-N 0 0 483.999 0.264 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCS(C)(=O)=O ZINC000729674122 1069966330 /nfs/dbraw/zinc/96/63/30/1069966330.db2.gz CDKOTVIPQRPZKV-UHFFFAOYSA-N 0 0 469.610 0.062 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674124 1069966349 /nfs/dbraw/zinc/96/63/49/1069966349.db2.gz CGMMHJSBAWMWKY-UHFFFAOYSA-N 0 0 451.545 0.513 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729674158 1069966360 /nfs/dbraw/zinc/96/63/60/1069966360.db2.gz DIESQUFVTZFFCJ-UHFFFAOYSA-N 0 0 496.408 0.499 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674159 1069966445 /nfs/dbraw/zinc/96/64/45/1069966445.db2.gz DJWVIJXVTWGZGZ-UHFFFAOYSA-N 0 0 498.424 0.746 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674172 1069966524 /nfs/dbraw/zinc/96/65/24/1069966524.db2.gz DUMONVSJTLBOOO-UHFFFAOYSA-N 0 0 485.509 0.778 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729674206 1069972809 /nfs/dbraw/zinc/97/28/09/1069972809.db2.gz GBLSCLYCNXJFDK-UHFFFAOYSA-N 0 0 468.000 0.883 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O ZINC000729674418 1069972972 /nfs/dbraw/zinc/97/29/72/1069972972.db2.gz GWQKAJKEOXYPJF-UHFFFAOYSA-N 0 0 478.552 0.138 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729674437 1069972784 /nfs/dbraw/zinc/97/27/84/1069972784.db2.gz HDGJAXYYBTWMQJ-UHFFFAOYSA-N 0 0 475.592 0.525 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)C1CCC1 ZINC000729674442 1069972938 /nfs/dbraw/zinc/97/29/38/1069972938.db2.gz HFPVLFUNTDFGCT-UHFFFAOYSA-N 0 0 461.521 0.735 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674444 1069972889 /nfs/dbraw/zinc/97/28/89/1069972889.db2.gz HHYIKAJTZZYOEH-UHFFFAOYSA-N 0 0 496.408 0.522 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729674452 1069972977 /nfs/dbraw/zinc/97/29/77/1069972977.db2.gz HOWWASYPLSSLBL-UHFFFAOYSA-N 0 0 465.984 0.733 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O ZINC000729674465 1069972851 /nfs/dbraw/zinc/97/28/51/1069972851.db2.gz HWJGMSNPRXXWKX-CYBMUJFWSA-N 0 0 463.537 0.981 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O ZINC000729674469 1069972957 /nfs/dbraw/zinc/97/29/57/1069972957.db2.gz HWJGMSNPRXXWKX-ZDUSSCGKSA-N 0 0 463.537 0.981 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O ZINC000729674478 1069972918 /nfs/dbraw/zinc/97/29/18/1069972918.db2.gz IEPJXIUKDZDUOZ-UHFFFAOYSA-N 0 0 499.561 0.975 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O ZINC000729674483 1069972862 /nfs/dbraw/zinc/97/28/62/1069972862.db2.gz IFIIXIWMWFOAEJ-UHFFFAOYSA-N 0 0 483.518 0.361 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCS(C)(=O)=O ZINC000729674500 1069972106 /nfs/dbraw/zinc/97/21/06/1069972106.db2.gz IPKMREMRBSZGBZ-UHFFFAOYSA-N 0 0 498.424 0.745 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674512 1069972197 /nfs/dbraw/zinc/97/21/97/1069972197.db2.gz ITJLVKCSWUCDFZ-UHFFFAOYSA-N 0 0 483.999 0.264 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O ZINC000729674516 1069972207 /nfs/dbraw/zinc/97/22/07/1069972207.db2.gz JBNJVWCMFAYNIT-UHFFFAOYSA-N 0 0 478.552 0.282 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729674528 1069966395 /nfs/dbraw/zinc/96/63/95/1069966395.db2.gz JDWGWUCGQVENDN-UHFFFAOYSA-N 0 0 490.563 0.424 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O ZINC000729674561 1069966536 /nfs/dbraw/zinc/96/65/36/1069966536.db2.gz KASXCVHCLGJBIJ-UHFFFAOYSA-N 0 0 463.537 0.981 20 30 JCEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O ZINC000729674563 1069966278 /nfs/dbraw/zinc/96/62/78/1069966278.db2.gz KDVOPQKHAVDASF-UHFFFAOYSA-N 0 0 463.537 0.981 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674588 1069966427 /nfs/dbraw/zinc/96/64/27/1069966427.db2.gz KYGMRGRMOHEJBM-UHFFFAOYSA-N 0 0 468.000 0.883 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729674762 1069967847 /nfs/dbraw/zinc/96/78/47/1069967847.db2.gz LQNYIPCIRUXYQV-UHFFFAOYSA-N 0 0 453.973 0.635 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCS(C)(=O)=O ZINC000729674763 1069967695 /nfs/dbraw/zinc/96/76/95/1069967695.db2.gz LRAGSQXTUIUVAN-UHFFFAOYSA-N 0 0 496.408 0.522 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729674774 1069967765 /nfs/dbraw/zinc/96/77/65/1069967765.db2.gz LZGNASRBFWIZHO-UHFFFAOYSA-N 0 0 498.026 0.654 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674789 1069967630 /nfs/dbraw/zinc/96/76/30/1069967630.db2.gz MGUQNLBGSQQDRC-UHFFFAOYSA-N 0 0 451.545 0.369 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674817 1069967591 /nfs/dbraw/zinc/96/75/91/1069967591.db2.gz NVKMHVKAZYYXOW-UHFFFAOYSA-N 0 0 498.026 0.654 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)c1ccc2c(c1)OCO2 ZINC000729674839 1069967613 /nfs/dbraw/zinc/96/76/13/1069967613.db2.gz ORCDXQDAGHESAR-UHFFFAOYSA-N 0 0 483.527 0.464 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)c1ccc(F)cc1 ZINC000729674845 1069967659 /nfs/dbraw/zinc/96/76/59/1069967659.db2.gz OXVGDCDCOBCUOZ-UHFFFAOYSA-N 0 0 457.508 0.874 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674851 1069967810 /nfs/dbraw/zinc/96/78/10/1069967810.db2.gz PCJWNEKITIQTDS-UHFFFAOYSA-N 0 0 453.973 0.637 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)NC1CC1 ZINC000729674983 1069967730 /nfs/dbraw/zinc/96/77/30/1069967730.db2.gz PUIYZPYGAONZFB-UHFFFAOYSA-N 0 0 483.518 0.337 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O ZINC000729674987 1069967859 /nfs/dbraw/zinc/96/78/59/1069967859.db2.gz PWGBCOQUDXFVBG-UHFFFAOYSA-N 0 0 498.586 0.890 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O ZINC000729674999 1069967797 /nfs/dbraw/zinc/96/77/97/1069967797.db2.gz PYMQACNWXZSJBW-UHFFFAOYSA-N 0 0 478.552 0.282 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O ZINC000729675025 1069967751 /nfs/dbraw/zinc/96/77/51/1069967751.db2.gz QRERHFJSFNYPAK-UHFFFAOYSA-N 0 0 478.552 0.138 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O ZINC000729675039 1069967710 /nfs/dbraw/zinc/96/77/10/1069967710.db2.gz RAHSWAWTNIUQJI-UHFFFAOYSA-N 0 0 463.537 0.981 20 30 JCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O ZINC000729675059 1069967678 /nfs/dbraw/zinc/96/76/78/1069967678.db2.gz RMYUWRAIBWKKKR-CYBMUJFWSA-N 0 0 463.537 0.981 20 30 JCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O ZINC000729675061 1069967605 /nfs/dbraw/zinc/96/76/05/1069967605.db2.gz RMYUWRAIBWKKKR-ZDUSSCGKSA-N 0 0 463.537 0.981 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729675065 1069967643 /nfs/dbraw/zinc/96/76/43/1069967643.db2.gz RPBCIUTVWFOTBQ-UHFFFAOYSA-N 0 0 461.565 0.088 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(C(F)(F)F)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729675079 1069967133 /nfs/dbraw/zinc/96/71/33/1069967133.db2.gz RXAFHVCCGHFDPX-UHFFFAOYSA-N 0 0 485.509 0.755 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O ZINC000729675092 1069967020 /nfs/dbraw/zinc/96/70/20/1069967020.db2.gz SCYCWNMJBPQWMN-UHFFFAOYSA-N 0 0 469.544 0.744 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)c1ccccc1F ZINC000729675110 1069967124 /nfs/dbraw/zinc/96/71/24/1069967124.db2.gz SJAOPMHIHJZRKQ-UHFFFAOYSA-N 0 0 457.508 0.874 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729675126 1069967005 /nfs/dbraw/zinc/96/70/05/1069967005.db2.gz SRSCKXSDHRNIGU-UHFFFAOYSA-N 0 0 463.581 0.238 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O ZINC000729675129 1069966946 /nfs/dbraw/zinc/96/69/46/1069966946.db2.gz STKRPJNPHODUHB-UHFFFAOYSA-N 0 0 485.534 0.583 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc(OC)c1OC ZINC000729675181 1069967078 /nfs/dbraw/zinc/96/70/78/1069967078.db2.gz UJLVTGXDFXCYKK-UHFFFAOYSA-N 0 0 494.591 0.708 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729675185 1069967780 /nfs/dbraw/zinc/96/77/80/1069967780.db2.gz UMACFVDVKVTKSI-UHFFFAOYSA-N 0 0 481.571 0.139 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000729675218 1069966561 /nfs/dbraw/zinc/96/65/61/1069966561.db2.gz VDSPPQJOELQJIH-UHFFFAOYSA-N 0 0 454.533 0.491 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729675219 1069966305 /nfs/dbraw/zinc/96/63/05/1069966305.db2.gz VGWSEBQLOWOMOL-UHFFFAOYSA-N 0 0 453.973 0.637 20 30 JCEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O ZINC000729675221 1069967153 /nfs/dbraw/zinc/96/71/53/1069967153.db2.gz VMQGJCDVEIKYFO-UHFFFAOYSA-N 0 0 463.537 0.981 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O ZINC000729675231 1069967054 /nfs/dbraw/zinc/96/70/54/1069967054.db2.gz VXGPGBGPAKPMDG-UHFFFAOYSA-N 0 0 485.534 0.585 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729675232 1069967148 /nfs/dbraw/zinc/96/71/48/1069967148.db2.gz WACBHSMXOTXRFD-UHFFFAOYSA-N 0 0 453.973 0.635 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729675234 1069967105 /nfs/dbraw/zinc/96/71/05/1069967105.db2.gz WAIJGSKZVIACHT-UHFFFAOYSA-N 0 0 496.408 0.499 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729675238 1069966996 /nfs/dbraw/zinc/96/69/96/1069966996.db2.gz WIOVNDHBXWKJFV-UHFFFAOYSA-N 0 0 490.563 0.424 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)C1CCC1 ZINC000729675248 1069967157 /nfs/dbraw/zinc/96/71/57/1069967157.db2.gz WXFXXPGQBQIPIV-UHFFFAOYSA-N 0 0 461.521 0.735 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729675264 1069967065 /nfs/dbraw/zinc/96/70/65/1069967065.db2.gz XYPZYWJVAIFDNT-UHFFFAOYSA-N 0 0 451.957 0.389 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729675274 1069967094 /nfs/dbraw/zinc/96/70/94/1069967094.db2.gz YSTBVUJHWQJUHV-UHFFFAOYSA-N 0 0 463.556 0.655 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCS(C)(=O)=O ZINC000729675279 1069966961 /nfs/dbraw/zinc/96/69/61/1069966961.db2.gz YXQMLXPHPMROGO-UHFFFAOYSA-N 0 0 463.581 0.000 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729675284 1069967030 /nfs/dbraw/zinc/96/70/30/1069967030.db2.gz ZBWLXKKTPTXIPT-UHFFFAOYSA-N 0 0 498.424 0.745 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCS(C)(=O)=O ZINC000729675285 1069967141 /nfs/dbraw/zinc/96/71/41/1069967141.db2.gz ZDAVWOVNCVNUOE-UHFFFAOYSA-N 0 0 499.561 0.831 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCS(C)(=O)=O ZINC000729675288 1069967040 /nfs/dbraw/zinc/96/70/40/1069967040.db2.gz ZFZNBDQPVOKNCT-UHFFFAOYSA-N 0 0 498.424 0.746 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)N1CCCC1 ZINC000729675321 1069966985 /nfs/dbraw/zinc/96/69/85/1069966985.db2.gz ZTHODXAEFSBZIG-UHFFFAOYSA-N 0 0 465.984 0.733 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCS(C)(=O)=O ZINC000729675324 1069967115 /nfs/dbraw/zinc/96/71/15/1069967115.db2.gz ZWAZKADPNYAZFC-UHFFFAOYSA-N 0 0 451.957 0.413 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729687532 1069978413 /nfs/dbraw/zinc/97/84/13/1069978413.db2.gz PWAUCXYJYHRFSE-DZGCQCFKSA-N 0 0 457.530 0.069 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729687533 1069978621 /nfs/dbraw/zinc/97/86/21/1069978621.db2.gz PWAUCXYJYHRFSE-HIFRSBDPSA-N 0 0 457.530 0.069 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729687534 1069978474 /nfs/dbraw/zinc/97/84/74/1069978474.db2.gz PWAUCXYJYHRFSE-UKRRQHHQSA-N 0 0 457.530 0.069 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729687535 1069978595 /nfs/dbraw/zinc/97/85/95/1069978595.db2.gz PWAUCXYJYHRFSE-ZFWWWQNUSA-N 0 0 457.530 0.069 20 30 JCEDRN CCN(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729687608 1069980030 /nfs/dbraw/zinc/98/00/30/1069980030.db2.gz VGISUXXDSASRKM-GDBMZVCRSA-N 0 0 471.557 0.459 20 30 JCEDRN CCN(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729687609 1069979908 /nfs/dbraw/zinc/97/99/08/1069979908.db2.gz VGISUXXDSASRKM-GOEBONIOSA-N 0 0 471.557 0.459 20 30 JCEDRN CCN(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729687610 1069979714 /nfs/dbraw/zinc/97/97/14/1069979714.db2.gz VGISUXXDSASRKM-HOCLYGCPSA-N 0 0 471.557 0.459 20 30 JCEDRN CCN(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729687611 1069980055 /nfs/dbraw/zinc/98/00/55/1069980055.db2.gz VGISUXXDSASRKM-ZBFHGGJFSA-N 0 0 471.557 0.459 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3Cl)CC2)o1 ZINC000729728287 1069996458 /nfs/dbraw/zinc/99/64/58/1069996458.db2.gz OYTBLWARSMLUDK-UHFFFAOYSA-N 0 0 456.850 0.989 20 30 JCEDRN Cn1nnc2cc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 ZINC000729735658 1069998607 /nfs/dbraw/zinc/99/86/07/1069998607.db2.gz YVDKOKFRYIHSRE-UHFFFAOYSA-N 0 0 468.495 0.530 20 30 JCEDRN COC(=O)NC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000729739148 1070000234 /nfs/dbraw/zinc/00/02/34/1070000234.db2.gz ZJCYSZPBHHETCS-UHFFFAOYSA-N 0 0 452.489 0.069 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(C(=O)NC3CC3)CCC2)CC1 ZINC000729739598 1070000296 /nfs/dbraw/zinc/00/02/96/1070000296.db2.gz SOLTUUWGZITNHL-UHFFFAOYSA-N 0 0 474.539 0.383 20 30 JCEDRN C[C@@H]1Oc2c(cccc2C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)NC1=O ZINC000729740659 1070000975 /nfs/dbraw/zinc/00/09/75/1070000975.db2.gz CZFPAWQDCMEUDZ-HNNXBMFYSA-N 0 0 498.517 0.968 20 30 JCEDRN C[C@H]1Oc2c(cccc2C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)NC1=O ZINC000729740660 1070000778 /nfs/dbraw/zinc/00/07/78/1070000778.db2.gz CZFPAWQDCMEUDZ-OAHLLOKOSA-N 0 0 498.517 0.968 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3c(C)nc4c(c(=O)[nH]n4C)c3C)CC2)o1 ZINC000729755591 1070004245 /nfs/dbraw/zinc/00/42/45/1070004245.db2.gz XLMHRXBBCJLYPJ-UHFFFAOYSA-N 0 0 467.486 0.893 20 30 JCEDRN C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(=O)N(C)CCC#N ZINC000729756668 1070005400 /nfs/dbraw/zinc/00/54/00/1070005400.db2.gz HKUIKXZJDPYSAR-KRWDZBQOSA-N 0 0 494.570 0.461 20 30 JCEDRN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(=O)N(C)CCC#N ZINC000729756669 1070005146 /nfs/dbraw/zinc/00/51/46/1070005146.db2.gz HKUIKXZJDPYSAR-QGZVFWFLSA-N 0 0 494.570 0.461 20 30 JCEDRN C=CCOCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000729758528 1070006179 /nfs/dbraw/zinc/00/61/79/1070006179.db2.gz NOTHPAVIVZIBLF-UHFFFAOYSA-N 0 0 467.544 0.992 20 30 JCEDRN C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000729762271 1070006842 /nfs/dbraw/zinc/00/68/42/1070006842.db2.gz AHIRADWDEYNSFE-UHFFFAOYSA-N 0 0 454.501 0.427 20 30 JCEDRN COC(=O)N(C)CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000729775503 1070006605 /nfs/dbraw/zinc/00/66/05/1070006605.db2.gz AFPKLBYBWWCXFL-UHFFFAOYSA-N 0 0 466.516 0.413 20 30 JCEDRN C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000729789662 1070007982 /nfs/dbraw/zinc/00/79/82/1070007982.db2.gz KXKVXXKYGRPOCS-ACNSNUFOSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000729789663 1070008040 /nfs/dbraw/zinc/00/80/40/1070008040.db2.gz KXKVXXKYGRPOCS-CVIUTVQRSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000729789664 1070008138 /nfs/dbraw/zinc/00/81/38/1070008138.db2.gz KXKVXXKYGRPOCS-SAZKUCFMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000729789665 1070007931 /nfs/dbraw/zinc/00/79/31/1070007931.db2.gz KXKVXXKYGRPOCS-VKWHMPGMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000729790267 1070007851 /nfs/dbraw/zinc/00/78/51/1070007851.db2.gz WBCSLZQPEGWPSL-ACNSNUFOSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000729790268 1070007967 /nfs/dbraw/zinc/00/79/67/1070007967.db2.gz WBCSLZQPEGWPSL-CVIUTVQRSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000729790269 1070008025 /nfs/dbraw/zinc/00/80/25/1070008025.db2.gz WBCSLZQPEGWPSL-SAZKUCFMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000729790270 1070008115 /nfs/dbraw/zinc/00/81/15/1070008115.db2.gz WBCSLZQPEGWPSL-VKWHMPGMSA-N 0 0 451.549 0.275 20 30 JCEDRN Cn1c(CCC(=O)OCCn2ncc(C#N)c2N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000729806376 1070009828 /nfs/dbraw/zinc/00/98/28/1070009828.db2.gz FESNVASJGKKHPR-UHFFFAOYSA-N 0 0 487.542 0.421 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(C(=O)OCCn3ncc(C#N)c3N)CC2)cc1OC ZINC000729806645 1070009870 /nfs/dbraw/zinc/00/98/70/1070009870.db2.gz NHGOMFYGARBLNK-UHFFFAOYSA-N 0 0 463.516 0.998 20 30 JCEDRN N#Cc1cnn(CCOC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)c1N ZINC000729806738 1070010480 /nfs/dbraw/zinc/01/04/80/1070010480.db2.gz NWCVATZDPQTSAC-UHFFFAOYSA-N 0 0 484.332 0.977 20 30 JCEDRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCCn2ncc(C#N)c2N)CC1 ZINC000729807311 1070010311 /nfs/dbraw/zinc/01/03/11/1070010311.db2.gz YUQLRAZGCUDEIE-UHFFFAOYSA-N 0 0 461.500 0.768 20 30 JCEDRN N#Cc1cnn(CCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)c1N ZINC000729808182 1070010689 /nfs/dbraw/zinc/01/06/89/1070010689.db2.gz FSBQMCVVXAHRKP-UHFFFAOYSA-N 0 0 484.332 0.977 20 30 JCEDRN CC(=NN=C1NS(=O)(=O)c2ccccc21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000729815886 1070011161 /nfs/dbraw/zinc/01/11/61/1070011161.db2.gz ADZDEDLNXWGVRW-UHFFFAOYSA-N 0 0 470.554 0.875 20 30 JCEDRN CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000729816230 1070011143 /nfs/dbraw/zinc/01/11/43/1070011143.db2.gz INXFLQIXOBXHML-UHFFFAOYSA-N 0 0 461.547 0.291 20 30 JCEDRN CC(=NNC(=S)NCCCN1CCOCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000729816537 1070010948 /nfs/dbraw/zinc/01/09/48/1070010948.db2.gz JXQOQNZKDBFDCY-UHFFFAOYSA-N 0 0 491.661 0.323 20 30 JCEDRN CC(=NNc1ccc(S(N)(=O)=O)cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000729818116 1070011235 /nfs/dbraw/zinc/01/12/35/1070011235.db2.gz HEYQDDKBJVIKNL-UHFFFAOYSA-N 0 0 460.559 0.896 20 30 JCEDRN COc1ncnc(OC)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000729867753 1070079692 /nfs/dbraw/zinc/07/96/92/1070079692.db2.gz KAMXGODXYANSES-UHFFFAOYSA-N 0 0 475.483 0.055 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H](C)N1CCOCC1 ZINC000729883037 1069734113 /nfs/dbraw/zinc/73/41/13/1069734113.db2.gz XORWAHIZXDGOQN-BTNFHWIDSA-N 0 0 465.576 0.663 20 30 JCEDRN C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCOCC1 ZINC000729883040 1069734185 /nfs/dbraw/zinc/73/41/85/1069734185.db2.gz XORWAHIZXDGOQN-DBPDSBIXSA-N 0 0 465.576 0.663 20 30 JCEDRN C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCOCC1 ZINC000729883041 1069734168 /nfs/dbraw/zinc/73/41/68/1069734168.db2.gz XORWAHIZXDGOQN-HOIOSORBSA-N 0 0 465.576 0.663 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H](C)N1CCOCC1 ZINC000729883043 1069733977 /nfs/dbraw/zinc/73/39/77/1069733977.db2.gz XORWAHIZXDGOQN-IWAOJGAVSA-N 0 0 465.576 0.663 20 30 JCEDRN CC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000729883476 1069733381 /nfs/dbraw/zinc/73/33/81/1069733381.db2.gz CASKLIUYXQRVOB-CLCOLTQESA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000729883479 1069733535 /nfs/dbraw/zinc/73/35/35/1069733535.db2.gz CASKLIUYXQRVOB-LYBHJNIJSA-N 0 0 463.560 0.813 20 30 JCEDRN COC(=O)CSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000729884499 1069733920 /nfs/dbraw/zinc/73/39/20/1069733920.db2.gz LGAMTPXTAXACIN-QNGOZBTKSA-N 0 0 456.546 0.460 20 30 JCEDRN COC(=O)CSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000729884503 1069734131 /nfs/dbraw/zinc/73/41/31/1069734131.db2.gz LGAMTPXTAXACIN-RCCKNPSSSA-N 0 0 456.546 0.460 20 30 JCEDRN CC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000729885233 1069735945 /nfs/dbraw/zinc/73/59/45/1069735945.db2.gz VCSBMRODLANPRQ-CLCOLTQESA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000729885237 1069736594 /nfs/dbraw/zinc/73/65/94/1069736594.db2.gz VCSBMRODLANPRQ-LYBHJNIJSA-N 0 0 463.560 0.813 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H](C)N1CCOCC1 ZINC000729885333 1069736094 /nfs/dbraw/zinc/73/60/94/1069736094.db2.gz ZUIRIRPVVSPLRN-BTNFHWIDSA-N 0 0 465.576 0.663 20 30 JCEDRN C[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCOCC1 ZINC000729885336 1069735874 /nfs/dbraw/zinc/73/58/74/1069735874.db2.gz ZUIRIRPVVSPLRN-DBPDSBIXSA-N 0 0 465.576 0.663 20 30 JCEDRN C[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCOCC1 ZINC000729885339 1069736037 /nfs/dbraw/zinc/73/60/37/1069736037.db2.gz ZUIRIRPVVSPLRN-HOIOSORBSA-N 0 0 465.576 0.663 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H](C)N1CCOCC1 ZINC000729885343 1069735906 /nfs/dbraw/zinc/73/59/06/1069735906.db2.gz ZUIRIRPVVSPLRN-IWAOJGAVSA-N 0 0 465.576 0.663 20 30 JCEDRN COC(=O)CSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000729885411 1069736071 /nfs/dbraw/zinc/73/60/71/1069736071.db2.gz WWCSZKIYQSTFNE-QNGOZBTKSA-N 0 0 456.546 0.460 20 30 JCEDRN COC(=O)CSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000729885412 1069735970 /nfs/dbraw/zinc/73/59/70/1069735970.db2.gz WWCSZKIYQSTFNE-RCCKNPSSSA-N 0 0 456.546 0.460 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccccc2C(N)=O)CC1 ZINC000729928400 1069746014 /nfs/dbraw/zinc/74/60/14/1069746014.db2.gz RNUNVGHQABPCDG-UHFFFAOYSA-N 0 0 486.506 0.112 20 30 JCEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000729970316 1069747661 /nfs/dbraw/zinc/74/76/61/1069747661.db2.gz ADAYGVIKWFENDG-AWEZNQCLSA-N 0 0 466.516 0.363 20 30 JCEDRN COC[C@@H](C)NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000729970317 1069747829 /nfs/dbraw/zinc/74/78/29/1069747829.db2.gz ADAYGVIKWFENDG-CQSZACIVSA-N 0 0 466.516 0.363 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)CC2)cc1 ZINC000729971280 1069747739 /nfs/dbraw/zinc/74/77/39/1069747739.db2.gz VMUPKCUEKQESCA-GOSISDBHSA-N 0 0 462.528 0.369 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)CC2)cc1 ZINC000729971281 1069747866 /nfs/dbraw/zinc/74/78/66/1069747866.db2.gz VMUPKCUEKQESCA-SFHVURJKSA-N 0 0 462.528 0.369 20 30 JCEDRN Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000730015119 1069749681 /nfs/dbraw/zinc/74/96/81/1069749681.db2.gz LGEWIKBKCSXJES-UHFFFAOYSA-N 0 0 473.467 0.860 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCN(C(C)=O)CC1 ZINC000730026097 1069748282 /nfs/dbraw/zinc/74/82/82/1069748282.db2.gz WIIYZPZULJWIPS-HSZRJFAPSA-N 0 0 454.483 0.385 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCN(C(C)=O)CC1 ZINC000730026098 1069748410 /nfs/dbraw/zinc/74/84/10/1069748410.db2.gz WIIYZPZULJWIPS-QHCPKHFHSA-N 0 0 454.483 0.385 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000730028901 1069748849 /nfs/dbraw/zinc/74/88/49/1069748849.db2.gz LHTRPLFRFNIDCE-GAJHUEQPSA-N 0 0 454.483 0.561 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000730028902 1069748780 /nfs/dbraw/zinc/74/87/80/1069748780.db2.gz LHTRPLFRFNIDCE-HXOBKFHXSA-N 0 0 454.483 0.561 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000730028903 1069748752 /nfs/dbraw/zinc/74/87/52/1069748752.db2.gz LHTRPLFRFNIDCE-SBUREZEXSA-N 0 0 454.483 0.561 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000730028904 1069748770 /nfs/dbraw/zinc/74/87/70/1069748770.db2.gz LHTRPLFRFNIDCE-UZUQRXQVSA-N 0 0 454.483 0.561 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)NC(=O)N[C@@H](C)COC ZINC000730029188 1069748796 /nfs/dbraw/zinc/74/87/96/1069748796.db2.gz NZEYIRUDBBPHQL-FPTDNZKUSA-N 0 0 458.471 0.555 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)NC(=O)N[C@H](C)COC ZINC000730029189 1069749056 /nfs/dbraw/zinc/74/90/56/1069749056.db2.gz NZEYIRUDBBPHQL-JLCFBVMHSA-N 0 0 458.471 0.555 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)NC(=O)N[C@H](C)COC ZINC000730029190 1069749007 /nfs/dbraw/zinc/74/90/07/1069749007.db2.gz NZEYIRUDBBPHQL-PEBXRYMYSA-N 0 0 458.471 0.555 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)NC(=O)N[C@@H](C)COC ZINC000730029191 1069748812 /nfs/dbraw/zinc/74/88/12/1069748812.db2.gz NZEYIRUDBBPHQL-RCDICMHDSA-N 0 0 458.471 0.555 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000730029494 1069749022 /nfs/dbraw/zinc/74/90/22/1069749022.db2.gz REEXAKFOCRXMSR-DEOSSOPVSA-N 0 0 492.492 0.142 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000730029495 1069748991 /nfs/dbraw/zinc/74/89/91/1069748991.db2.gz REEXAKFOCRXMSR-XMMPIXPASA-N 0 0 492.492 0.142 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N(C)CC(=O)NCCC ZINC000730029995 1069748885 /nfs/dbraw/zinc/74/88/85/1069748885.db2.gz ZPIOODLNDQEMCK-HSZRJFAPSA-N 0 0 456.499 0.679 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N(C)CC(=O)NCCC ZINC000730029999 1069748868 /nfs/dbraw/zinc/74/88/68/1069748868.db2.gz ZPIOODLNDQEMCK-QHCPKHFHSA-N 0 0 456.499 0.679 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c(Cl)c1OC ZINC000730439149 1069750398 /nfs/dbraw/zinc/75/03/98/1069750398.db2.gz AIHYXQBLLBBDAL-UHFFFAOYSA-N 0 0 453.929 0.652 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c(Cl)c1OC ZINC000730439398 1069750539 /nfs/dbraw/zinc/75/05/39/1069750539.db2.gz IWHDSWIIHNJWPE-UHFFFAOYSA-N 0 0 468.944 0.156 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CC(=O)N(C)C ZINC000730439724 1069750525 /nfs/dbraw/zinc/75/05/25/1069750525.db2.gz XYBQAJMPWZFZME-UHFFFAOYSA-N 0 0 490.969 0.474 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000730439832 1069750341 /nfs/dbraw/zinc/75/03/41/1069750341.db2.gz CNCFHRZGRUWFNL-UHFFFAOYSA-N 0 0 493.969 0.589 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2Cl)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000730440162 1069750593 /nfs/dbraw/zinc/75/05/93/1069750593.db2.gz LZXKGZMQOUBPQB-CYBMUJFWSA-N 0 0 495.985 0.881 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2Cl)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000730440167 1069750558 /nfs/dbraw/zinc/75/05/58/1069750558.db2.gz LZXKGZMQOUBPQB-ZDUSSCGKSA-N 0 0 495.985 0.881 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CCOC ZINC000730440484 1069750422 /nfs/dbraw/zinc/75/04/22/1069750422.db2.gz QDLDLVYPZQABRF-UHFFFAOYSA-N 0 0 481.958 0.492 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(Cl)c1OC ZINC000730440507 1069750624 /nfs/dbraw/zinc/75/06/24/1069750624.db2.gz RJRZBIPOAQCNSZ-UHFFFAOYSA-N 0 0 460.943 0.939 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000730449613 1069752029 /nfs/dbraw/zinc/75/20/29/1069752029.db2.gz FCIFYCCUINMPEN-UHFFFAOYSA-N 0 0 486.506 0.112 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)ccc1F ZINC000730501158 1069755792 /nfs/dbraw/zinc/75/57/92/1069755792.db2.gz YLDRMLFXVGORET-UHFFFAOYSA-N 0 0 451.567 0.398 20 30 JCEDRN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc(OC)c1OCC(N)=O ZINC000730547957 1069757208 /nfs/dbraw/zinc/75/72/08/1069757208.db2.gz OAHUJJWXKFYWNM-UHFFFAOYSA-N 0 0 492.558 0.345 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)N1CCSCC1 ZINC000730550672 1069758018 /nfs/dbraw/zinc/75/80/18/1069758018.db2.gz CGNOCMZBAVKVTJ-UHFFFAOYSA-N 0 0 460.603 0.000 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)N1CCSCC1 ZINC000730550778 1069758009 /nfs/dbraw/zinc/75/80/09/1069758009.db2.gz IFWZWFUKFFRWJE-UHFFFAOYSA-N 0 0 488.657 0.780 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000730551196 1069757971 /nfs/dbraw/zinc/75/79/71/1069757971.db2.gz VFKNEEXQERTLDI-INIZCTEOSA-N 0 0 488.657 0.635 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000730551198 1069758081 /nfs/dbraw/zinc/75/80/81/1069758081.db2.gz VFKNEEXQERTLDI-MRXNPFEDSA-N 0 0 488.657 0.635 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000730551200 1069758058 /nfs/dbraw/zinc/75/80/58/1069758058.db2.gz VGJPYUWTFFEGQB-INIZCTEOSA-N 0 0 488.657 0.779 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000730551203 1069757848 /nfs/dbraw/zinc/75/78/48/1069757848.db2.gz VGJPYUWTFFEGQB-MRXNPFEDSA-N 0 0 488.657 0.779 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000730564059 1069758529 /nfs/dbraw/zinc/75/85/29/1069758529.db2.gz GYKULEDGLKGMGQ-UHFFFAOYSA-N 0 0 490.603 0.852 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000730564088 1069758629 /nfs/dbraw/zinc/75/86/29/1069758629.db2.gz HRAYEJDQSFFJGO-UHFFFAOYSA-N 0 0 493.607 0.007 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000730564976 1069758594 /nfs/dbraw/zinc/75/85/94/1069758594.db2.gz OPGFTXKORPOIGB-UHFFFAOYSA-N 0 0 478.592 0.708 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)cc1 ZINC000730565350 1069758640 /nfs/dbraw/zinc/75/86/40/1069758640.db2.gz UYFSMWVYSVMWRZ-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 ZINC000730565451 1069758681 /nfs/dbraw/zinc/75/86/81/1069758681.db2.gz WOMAULYRHPVHPV-UHFFFAOYSA-N 0 0 496.570 0.657 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000730584456 1069759254 /nfs/dbraw/zinc/75/92/54/1069759254.db2.gz WVHAVNIECLVPDY-UHFFFAOYSA-N 0 0 483.616 0.402 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)o1 ZINC000730621630 1069765302 /nfs/dbraw/zinc/76/53/02/1069765302.db2.gz OCSDRDNUWFDJGJ-KRWDZBQOSA-N 0 0 495.492 0.871 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)o1 ZINC000730621633 1069765124 /nfs/dbraw/zinc/76/51/24/1069765124.db2.gz OCSDRDNUWFDJGJ-QGZVFWFLSA-N 0 0 495.492 0.871 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2ncc3ccccc32)CC1 ZINC000730636734 1069769494 /nfs/dbraw/zinc/76/94/94/1069769494.db2.gz CTKSXOTYJKZKGH-UHFFFAOYSA-N 0 0 467.507 0.984 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000730664165 1069770342 /nfs/dbraw/zinc/77/03/42/1069770342.db2.gz LLBAWWQUQGHCJY-FXBPSFAMSA-N 0 0 489.645 1.000 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000730664167 1069770546 /nfs/dbraw/zinc/77/05/46/1069770546.db2.gz LLBAWWQUQGHCJY-HEHNFIMWSA-N 0 0 489.645 1.000 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000730664792 1069770304 /nfs/dbraw/zinc/77/03/04/1069770304.db2.gz XBQKHPQWFSUYCC-FXBPSFAMSA-N 0 0 489.645 1.000 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000730664793 1069770492 /nfs/dbraw/zinc/77/04/92/1069770492.db2.gz XBQKHPQWFSUYCC-HEHNFIMWSA-N 0 0 489.645 1.000 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)c1 ZINC000730681102 1069772053 /nfs/dbraw/zinc/77/20/53/1069772053.db2.gz DZWGXKLHWVKMLH-BWAHOGKJSA-N 0 0 482.526 0.730 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)c1 ZINC000730681105 1069771909 /nfs/dbraw/zinc/77/19/09/1069771909.db2.gz DZWGXKLHWVKMLH-XIEYBQDHSA-N 0 0 482.526 0.730 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)cc1 ZINC000730681487 1069771944 /nfs/dbraw/zinc/77/19/44/1069771944.db2.gz JQNAMVXEANMIFM-BWAHOGKJSA-N 0 0 482.526 0.730 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)cc1 ZINC000730681488 1069771865 /nfs/dbraw/zinc/77/18/65/1069771865.db2.gz JQNAMVXEANMIFM-XIEYBQDHSA-N 0 0 482.526 0.730 20 30 JCEDRN CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2c(c1)OCCO2 ZINC000730720196 1069774586 /nfs/dbraw/zinc/77/45/86/1069774586.db2.gz HSNJWYITDASRSV-HNNXBMFYSA-N 0 0 456.484 0.954 20 30 JCEDRN CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2c(c1)OCCO2 ZINC000730720198 1069774407 /nfs/dbraw/zinc/77/44/07/1069774407.db2.gz HSNJWYITDASRSV-OAHLLOKOSA-N 0 0 456.484 0.954 20 30 JCEDRN CC(=O)NCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 ZINC000730723915 1069775189 /nfs/dbraw/zinc/77/51/89/1069775189.db2.gz KAVBUJMVTZVUSS-HNNXBMFYSA-N 0 0 455.500 0.672 20 30 JCEDRN CC(=O)NCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 ZINC000730723919 1069775224 /nfs/dbraw/zinc/77/52/24/1069775224.db2.gz KAVBUJMVTZVUSS-OAHLLOKOSA-N 0 0 455.500 0.672 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2\SC(CC(=O)NC3CC3)C(=O)N2Cc2cocn2)cc1 ZINC000730724435 1069774592 /nfs/dbraw/zinc/77/45/92/1069774592.db2.gz LWWADHFCOSLZTA-BSBNDGSWSA-N 0 0 463.541 0.991 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2/SC(CC(=O)NC3CC3)C(=O)N2Cc2cocn2)cc1 ZINC000730724436 1069774711 /nfs/dbraw/zinc/77/47/11/1069774711.db2.gz LWWADHFCOSLZTA-QQMHEVNUSA-N 0 0 463.541 0.991 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2\SC(CC(=O)NC3CC3)C(=O)N2Cc2cocn2)cc1 ZINC000730724437 1069774645 /nfs/dbraw/zinc/77/46/45/1069774645.db2.gz LWWADHFCOSLZTA-XOMICKMZSA-N 0 0 463.541 0.991 20 30 JCEDRN NS(=O)(=O)c1ccc(C/N=C2/SC(CC(=O)NC3CC3)C(=O)N2Cc2cocn2)cc1 ZINC000730724438 1069775257 /nfs/dbraw/zinc/77/52/57/1069775257.db2.gz LWWADHFCOSLZTA-YGCDDZCOSA-N 0 0 463.541 0.991 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 ZINC000730724875 1069775204 /nfs/dbraw/zinc/77/52/04/1069775204.db2.gz TZASXWOONLBFMY-CLXZYQIKSA-N 0 0 491.599 0.682 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 ZINC000730724877 1069775241 /nfs/dbraw/zinc/77/52/41/1069775241.db2.gz TZASXWOONLBFMY-GFDWPABASA-N 0 0 491.599 0.682 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 ZINC000730724878 1069775177 /nfs/dbraw/zinc/77/51/77/1069775177.db2.gz TZASXWOONLBFMY-UVPKWBSNSA-N 0 0 491.599 0.682 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 ZINC000730724880 1069775133 /nfs/dbraw/zinc/77/51/33/1069775133.db2.gz TZASXWOONLBFMY-XGTYDZQNSA-N 0 0 491.599 0.682 20 30 JCEDRN COCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725123 1069775166 /nfs/dbraw/zinc/77/51/66/1069775166.db2.gz QZIRJOCTSNVXBV-CLXZYQIKSA-N 0 0 492.583 0.989 20 30 JCEDRN COCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725125 1069775277 /nfs/dbraw/zinc/77/52/77/1069775277.db2.gz QZIRJOCTSNVXBV-GFDWPABASA-N 0 0 492.583 0.989 20 30 JCEDRN COCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725127 1069775119 /nfs/dbraw/zinc/77/51/19/1069775119.db2.gz QZIRJOCTSNVXBV-UVPKWBSNSA-N 0 0 492.583 0.989 20 30 JCEDRN COCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725129 1069775292 /nfs/dbraw/zinc/77/52/92/1069775292.db2.gz QZIRJOCTSNVXBV-XGTYDZQNSA-N 0 0 492.583 0.989 20 30 JCEDRN COCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725331 1069775151 /nfs/dbraw/zinc/77/51/51/1069775151.db2.gz RZKLKYKOMHKCCW-AZCDHQAESA-N 0 0 478.556 0.599 20 30 JCEDRN COCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725333 1069775214 /nfs/dbraw/zinc/77/52/14/1069775214.db2.gz RZKLKYKOMHKCCW-BXPXOOBPSA-N 0 0 478.556 0.599 20 30 JCEDRN COCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725336 1069775097 /nfs/dbraw/zinc/77/50/97/1069775097.db2.gz RZKLKYKOMHKCCW-DPFXTCQJSA-N 0 0 478.556 0.599 20 30 JCEDRN COCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725337 1069775250 /nfs/dbraw/zinc/77/52/50/1069775250.db2.gz RZKLKYKOMHKCCW-GUYLDNPGSA-N 0 0 478.556 0.599 20 30 JCEDRN C#CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725917 1069775779 /nfs/dbraw/zinc/77/57/79/1069775779.db2.gz WWDIQUYPIUKWGM-AZCDHQAESA-N 0 0 458.525 0.586 20 30 JCEDRN C#CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725918 1069775897 /nfs/dbraw/zinc/77/58/97/1069775897.db2.gz WWDIQUYPIUKWGM-BXPXOOBPSA-N 0 0 458.525 0.586 20 30 JCEDRN C#CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725919 1069775830 /nfs/dbraw/zinc/77/58/30/1069775830.db2.gz WWDIQUYPIUKWGM-DPFXTCQJSA-N 0 0 458.525 0.586 20 30 JCEDRN C#CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000730725920 1069775853 /nfs/dbraw/zinc/77/58/53/1069775853.db2.gz WWDIQUYPIUKWGM-GUYLDNPGSA-N 0 0 458.525 0.586 20 30 JCEDRN CCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000730726054 1069775694 /nfs/dbraw/zinc/77/56/94/1069775694.db2.gz XUOMWPKBIZXQKD-CLXZYQIKSA-N 0 0 492.583 0.989 20 30 JCEDRN CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000730726057 1069775725 /nfs/dbraw/zinc/77/57/25/1069775725.db2.gz XUOMWPKBIZXQKD-GFDWPABASA-N 0 0 492.583 0.989 20 30 JCEDRN CCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000730726059 1069775816 /nfs/dbraw/zinc/77/58/16/1069775816.db2.gz XUOMWPKBIZXQKD-UVPKWBSNSA-N 0 0 492.583 0.989 20 30 JCEDRN CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000730726062 1069775922 /nfs/dbraw/zinc/77/59/22/1069775922.db2.gz XUOMWPKBIZXQKD-XGTYDZQNSA-N 0 0 492.583 0.989 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000730776841 1069777321 /nfs/dbraw/zinc/77/73/21/1069777321.db2.gz QEWWIBROPYPYLX-UHFFFAOYSA-N 0 0 494.581 0.825 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000730783059 1069778693 /nfs/dbraw/zinc/77/86/93/1069778693.db2.gz DJNZTZKDMWJJEF-GOSISDBHSA-N 0 0 477.587 0.337 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000730783060 1069778519 /nfs/dbraw/zinc/77/85/19/1069778519.db2.gz DJNZTZKDMWJJEF-SFHVURJKSA-N 0 0 477.587 0.337 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000730783785 1069778642 /nfs/dbraw/zinc/77/86/42/1069778642.db2.gz VTSCVAMTDLAOJU-GOSISDBHSA-N 0 0 477.587 0.481 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000730783786 1069778738 /nfs/dbraw/zinc/77/87/38/1069778738.db2.gz VTSCVAMTDLAOJU-SFHVURJKSA-N 0 0 477.587 0.481 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000730783907 1069778672 /nfs/dbraw/zinc/77/86/72/1069778672.db2.gz XEPRZHUXFTVANB-UHFFFAOYSA-N 0 0 477.587 0.483 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000730801573 1069777141 /nfs/dbraw/zinc/77/71/41/1069777141.db2.gz AEVRNOMDOWBDGR-UHFFFAOYSA-N 0 0 458.471 0.910 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O ZINC000730801579 1069777233 /nfs/dbraw/zinc/77/72/33/1069777233.db2.gz AIBOTTHEJGZDKY-UHFFFAOYSA-N 0 0 455.508 0.260 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O ZINC000730801643 1069777201 /nfs/dbraw/zinc/77/72/01/1069777201.db2.gz FCDLCUPTCIVFAL-UHFFFAOYSA-N 0 0 469.535 0.652 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O ZINC000730801686 1069778077 /nfs/dbraw/zinc/77/80/77/1069778077.db2.gz GRXWFXOLSBMQRI-UHFFFAOYSA-N 0 0 455.508 0.262 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O ZINC000730801719 1069777922 /nfs/dbraw/zinc/77/79/22/1069777922.db2.gz IQBMNENIKSBUQS-UHFFFAOYSA-N 0 0 453.492 0.038 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O ZINC000730801746 1069777997 /nfs/dbraw/zinc/77/79/97/1069777997.db2.gz JPZXWOIQFGDMTJ-UHFFFAOYSA-N 0 0 499.561 0.278 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NC1CC1 ZINC000730801769 1069777895 /nfs/dbraw/zinc/77/78/95/1069777895.db2.gz KHUZMDZGWZEGOH-UHFFFAOYSA-N 0 0 453.492 0.014 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCS(C)(=O)=O ZINC000730801809 1069777839 /nfs/dbraw/zinc/77/78/39/1069777839.db2.gz MORUPWPEIUJNRO-UHFFFAOYSA-N 0 0 469.535 0.508 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)N1CCCC1 ZINC000730801944 1069777969 /nfs/dbraw/zinc/77/79/69/1069777969.db2.gz VEIJTNDTTGEXNN-UHFFFAOYSA-N 0 0 467.519 0.358 20 30 JCEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000730802082 1069778010 /nfs/dbraw/zinc/77/80/10/1069778010.db2.gz YFMAHSPEKJNKKA-UHFFFAOYSA-N 0 0 481.546 0.794 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCOC ZINC000730803620 1069778029 /nfs/dbraw/zinc/77/80/29/1069778029.db2.gz SECVUSQQXAJHEY-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3F)c(=O)n2CCOC)CC1 ZINC000730804256 1069778097 /nfs/dbraw/zinc/77/80/97/1069778097.db2.gz ZEGLHUWJGUCPGS-UHFFFAOYSA-N 0 0 462.522 0.502 20 30 JCEDRN N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000730891046 1069784780 /nfs/dbraw/zinc/78/47/80/1069784780.db2.gz HUTYZQHKEUOIAV-UHFFFAOYSA-N 0 0 459.440 0.551 20 30 JCEDRN N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000730891086 1069784826 /nfs/dbraw/zinc/78/48/26/1069784826.db2.gz ITVQXFDBEXXQHN-UHFFFAOYSA-N 0 0 459.440 0.551 20 30 JCEDRN N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc1 ZINC000730891413 1069784001 /nfs/dbraw/zinc/78/40/01/1069784001.db2.gz RGSAKQYJYTYEII-UHFFFAOYSA-N 0 0 450.423 0.921 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(C#N)cn1 ZINC000730891444 1069784175 /nfs/dbraw/zinc/78/41/75/1069784175.db2.gz SHUDBRVQUWLBOU-UHFFFAOYSA-N 0 0 460.468 0.778 20 30 JCEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)c1 ZINC000730892006 1069784671 /nfs/dbraw/zinc/78/46/71/1069784671.db2.gz CMVANAHMCZALEM-UHFFFAOYSA-N 0 0 474.495 0.660 20 30 JCEDRN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)c1 ZINC000730893077 1069784752 /nfs/dbraw/zinc/78/47/52/1069784752.db2.gz KOJDRQILMIRCLH-UHFFFAOYSA-N 0 0 456.480 0.846 20 30 JCEDRN COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 ZINC000730893583 1069784868 /nfs/dbraw/zinc/78/48/68/1069784868.db2.gz YAFCNDMKDCBWEH-UHFFFAOYSA-N 0 0 460.468 0.778 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)cc1OC ZINC000730894515 1069784641 /nfs/dbraw/zinc/78/46/41/1069784641.db2.gz RLYGITHCNMCNLI-UHFFFAOYSA-N 0 0 474.495 0.660 20 30 JCEDRN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)cc1 ZINC000730895117 1069784722 /nfs/dbraw/zinc/78/47/22/1069784722.db2.gz XMJHMPVBIVBKOW-UHFFFAOYSA-N 0 0 456.480 0.846 20 30 JCEDRN N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 ZINC000730895126 1069784768 /nfs/dbraw/zinc/78/47/68/1069784768.db2.gz GGZHMHVMFRUJMW-UHFFFAOYSA-N 0 0 472.479 0.414 20 30 JCEDRN N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 ZINC000730895168 1069785365 /nfs/dbraw/zinc/78/53/65/1069785365.db2.gz HHTJMBNZGFWAAG-UHFFFAOYSA-N 0 0 486.506 0.804 20 30 JCEDRN COCCN(C(=O)COC(=O)c1ccc(C#N)cn1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000730895538 1069784688 /nfs/dbraw/zinc/78/46/88/1069784688.db2.gz LDXXKMGYHYNWMQ-UHFFFAOYSA-N 0 0 478.465 0.682 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000730897412 1069785500 /nfs/dbraw/zinc/78/55/00/1069785500.db2.gz JEHDHOGEUNANHV-CLCOLTQESA-N 0 0 478.575 0.702 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000730897413 1069785382 /nfs/dbraw/zinc/78/53/82/1069785382.db2.gz JEHDHOGEUNANHV-LYBHJNIJSA-N 0 0 478.575 0.702 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000730897650 1069785592 /nfs/dbraw/zinc/78/55/92/1069785592.db2.gz MFVHZYVVGWVXPY-CLCOLTQESA-N 0 0 478.575 0.702 20 30 JCEDRN CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000730897651 1069785521 /nfs/dbraw/zinc/78/55/21/1069785521.db2.gz MFVHZYVVGWVXPY-LYBHJNIJSA-N 0 0 478.575 0.702 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC2CC2)C1=O ZINC000730945187 1069787830 /nfs/dbraw/zinc/78/78/30/1069787830.db2.gz PHCOIXBOWUAYCJ-BWORXHKJSA-N 0 0 454.574 0.697 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC2CC2)C1=O ZINC000730945188 1069787519 /nfs/dbraw/zinc/78/75/19/1069787519.db2.gz PHCOIXBOWUAYCJ-QKDOTCOFSA-N 0 0 454.574 0.697 20 30 JCEDRN CNC(=O)CC1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC2CC2)C1=O ZINC000730945289 1069787557 /nfs/dbraw/zinc/78/75/57/1069787557.db2.gz PHCOIXBOWUAYCJ-UFIXSJTLSA-N 0 0 454.574 0.697 20 30 JCEDRN CNC(=O)CC1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOCC2CC2)C1=O ZINC000730945290 1069787483 /nfs/dbraw/zinc/78/74/83/1069787483.db2.gz PHCOIXBOWUAYCJ-VFOOBRQFSA-N 0 0 454.574 0.697 20 30 JCEDRN COCCN1C(=O)C(=CNc2sc(C(=O)OC)c(CC(=O)OC)c2C#N)C(=O)NC1=S ZINC000730971545 1069787684 /nfs/dbraw/zinc/78/76/84/1069787684.db2.gz WCOFOURYELJBJO-DHZHZOJOSA-N 0 0 466.497 0.307 20 30 JCEDRN COCCN1C(=O)C(=CNc2sc(C(=O)OC)c(CC(=O)OC)c2C#N)C(=O)NC1=S ZINC000730971546 1069787871 /nfs/dbraw/zinc/78/78/71/1069787871.db2.gz WCOFOURYELJBJO-FLIBITNWSA-N 0 0 466.497 0.307 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C(=O)OC)c2cccc(Br)c2)C1=O ZINC000730994263 1069789357 /nfs/dbraw/zinc/78/93/57/1069789357.db2.gz IDKSTJWPGYLWFN-GOSISDBHSA-N 0 0 452.261 0.930 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C(=O)OC)c2cccc(Br)c2)C1=O ZINC000730994264 1069789244 /nfs/dbraw/zinc/78/92/44/1069789244.db2.gz IDKSTJWPGYLWFN-SFHVURJKSA-N 0 0 452.261 0.930 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000731006360 1069788593 /nfs/dbraw/zinc/78/85/93/1069788593.db2.gz AVCBBLQHRVCQLZ-UHFFFAOYSA-N 0 0 470.389 0.897 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000731063457 1069792716 /nfs/dbraw/zinc/79/27/16/1069792716.db2.gz OJLHAZHQTDGXNI-CYBMUJFWSA-N 0 0 470.511 0.867 20 30 JCEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000731063463 1069793208 /nfs/dbraw/zinc/79/32/08/1069793208.db2.gz OJLHAZHQTDGXNI-ZDUSSCGKSA-N 0 0 470.511 0.867 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000731066300 1069793434 /nfs/dbraw/zinc/79/34/34/1069793434.db2.gz VQQOBUXZCVFCQC-CYBMUJFWSA-N 0 0 470.511 0.867 20 30 JCEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000731066301 1069793350 /nfs/dbraw/zinc/79/33/50/1069793350.db2.gz VQQOBUXZCVFCQC-ZDUSSCGKSA-N 0 0 470.511 0.867 20 30 JCEDRN C#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000731111137 1069794817 /nfs/dbraw/zinc/79/48/17/1069794817.db2.gz KDCORUVQQQSTBZ-UHFFFAOYSA-N 0 0 478.552 0.884 20 30 JCEDRN C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000731115085 1069794717 /nfs/dbraw/zinc/79/47/17/1069794717.db2.gz WVHXVPUGXBBJTQ-UHFFFAOYSA-N 0 0 478.552 0.884 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000731124835 1069793870 /nfs/dbraw/zinc/79/38/70/1069793870.db2.gz NNAPOBLCMDRXLR-UHFFFAOYSA-N 0 0 471.539 0.300 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000731125141 1069798236 /nfs/dbraw/zinc/79/82/36/1069798236.db2.gz ZWWWQFYOMIWOIZ-UHFFFAOYSA-N 0 0 471.539 0.300 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000731125227 1069798216 /nfs/dbraw/zinc/79/82/16/1069798216.db2.gz AUWRNQJPDYTZFQ-UHFFFAOYSA-N 0 0 457.508 0.974 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000731125298 1069797929 /nfs/dbraw/zinc/79/79/29/1069797929.db2.gz CRKMAARXLDKCHI-UHFFFAOYSA-N 0 0 457.508 0.974 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000731125417 1069797945 /nfs/dbraw/zinc/79/79/45/1069797945.db2.gz HXKREJNEUKFEFM-UHFFFAOYSA-N 0 0 452.492 0.930 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000731125983 1069798017 /nfs/dbraw/zinc/79/80/17/1069798017.db2.gz PBIBCQLJVWXMIC-UHFFFAOYSA-N 0 0 452.492 0.930 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 ZINC000731126294 1069798006 /nfs/dbraw/zinc/79/80/06/1069798006.db2.gz GMDACYRHKTVUHH-UHFFFAOYSA-N 0 0 482.518 0.665 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000731126749 1069797914 /nfs/dbraw/zinc/79/79/14/1069797914.db2.gz LUUCMHPCBZYJHG-CALCHBBNSA-N 0 0 464.544 0.135 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000731126753 1069798083 /nfs/dbraw/zinc/79/80/83/1069798083.db2.gz LUUCMHPCBZYJHG-IAGOWNOFSA-N 0 0 464.544 0.135 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000731126757 1069798144 /nfs/dbraw/zinc/79/81/44/1069798144.db2.gz LUUCMHPCBZYJHG-IRXDYDNUSA-N 0 0 464.544 0.135 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 ZINC000731127077 1069798031 /nfs/dbraw/zinc/79/80/31/1069798031.db2.gz RWCWDNKXLJAIOB-UHFFFAOYSA-N 0 0 482.518 0.665 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000731127110 1069798162 /nfs/dbraw/zinc/79/81/62/1069798162.db2.gz UHKVPXIJKRANEM-CALCHBBNSA-N 0 0 464.544 0.135 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000731127111 1069797972 /nfs/dbraw/zinc/79/79/72/1069797972.db2.gz UHKVPXIJKRANEM-IAGOWNOFSA-N 0 0 464.544 0.135 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000731127112 1069798129 /nfs/dbraw/zinc/79/81/29/1069798129.db2.gz UHKVPXIJKRANEM-IRXDYDNUSA-N 0 0 464.544 0.135 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 ZINC000731128645 1069797991 /nfs/dbraw/zinc/79/79/91/1069797991.db2.gz FONSTDGIDZXUOW-UHFFFAOYSA-N 0 0 456.524 0.894 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 ZINC000731129244 1069798948 /nfs/dbraw/zinc/79/89/48/1069798948.db2.gz RGSCHUWBCLCRLX-UHFFFAOYSA-N 0 0 456.524 0.894 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000731130059 1069798754 /nfs/dbraw/zinc/79/87/54/1069798754.db2.gz HXBOMQWLMUHULA-AWEZNQCLSA-N 0 0 458.496 0.689 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000731130060 1069798876 /nfs/dbraw/zinc/79/88/76/1069798876.db2.gz HXBOMQWLMUHULA-CQSZACIVSA-N 0 0 458.496 0.689 20 30 JCEDRN CN1CCCCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000731130233 1069798675 /nfs/dbraw/zinc/79/86/75/1069798675.db2.gz JEFBNBGOVLLWTH-KOEQRZSOSA-N 0 0 492.558 0.276 20 30 JCEDRN CN1CCCCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000731130235 1069798769 /nfs/dbraw/zinc/79/87/69/1069798769.db2.gz JEFBNBGOVLLWTH-UQQQWYQISA-N 0 0 492.558 0.276 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 ZINC000731130838 1069799078 /nfs/dbraw/zinc/79/90/78/1069799078.db2.gz ZLOZUZFVFFKGDI-AWEZNQCLSA-N 0 0 458.496 0.689 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 ZINC000731130839 1069798851 /nfs/dbraw/zinc/79/88/51/1069798851.db2.gz ZLOZUZFVFFKGDI-CQSZACIVSA-N 0 0 458.496 0.689 20 30 JCEDRN CN(C)S(=O)(=O)N(C)CCOC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000731142542 1069795550 /nfs/dbraw/zinc/79/55/50/1069795550.db2.gz OYUWKDQPSDQPOZ-UHFFFAOYSA-N 0 0 460.578 0.567 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000731142592 1069795433 /nfs/dbraw/zinc/79/54/33/1069795433.db2.gz RCERBEQAMNVOEI-HNNXBMFYSA-N 0 0 460.578 0.421 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000731142593 1069795265 /nfs/dbraw/zinc/79/52/65/1069795265.db2.gz RCERBEQAMNVOEI-OAHLLOKOSA-N 0 0 460.578 0.421 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000731143491 1069795992 /nfs/dbraw/zinc/79/59/92/1069795992.db2.gz PTNJXIKFVFFBDB-HNNXBMFYSA-N 0 0 460.578 0.565 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000731143492 1069796016 /nfs/dbraw/zinc/79/60/16/1069796016.db2.gz PTNJXIKFVFFBDB-OAHLLOKOSA-N 0 0 460.578 0.565 20 30 JCEDRN CN(C)S(=O)(=O)N(C)CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000731143853 1069795485 /nfs/dbraw/zinc/79/54/85/1069795485.db2.gz XGIQYDDWSYYHIF-UHFFFAOYSA-N 0 0 458.562 0.240 20 30 JCEDRN O=C1C(=NNc2nc3[nH][nH]cc-3c(=O)n2)c2cc(Br)ccc2N1Cc1ncon1 ZINC000731154900 1069799504 /nfs/dbraw/zinc/79/95/04/1069799504.db2.gz JATPXMNYVBFWMR-UHFFFAOYSA-N 0 0 456.220 0.941 20 30 JCEDRN CN(C)C(=O)CN1C(=O)C(=NNc2nc3[nH][nH]cc-3c(=O)n2)c2cc(Br)ccc21 ZINC000731157900 1069799819 /nfs/dbraw/zinc/79/98/19/1069799819.db2.gz UHUMAQSWFGOYJY-UHFFFAOYSA-N 0 0 459.264 0.446 20 30 JCEDRN CCN1CCN(C(=O)CC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000731181519 1069801914 /nfs/dbraw/zinc/80/19/14/1069801914.db2.gz OIMQYVDKNAKYKO-UHFFFAOYSA-N 0 0 461.588 0.518 20 30 JCEDRN Cc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1S(=O)(=O)NCC#N ZINC000731183084 1069802213 /nfs/dbraw/zinc/80/22/13/1069802213.db2.gz QGSBXVDAWXCOGR-UHFFFAOYSA-N 0 0 450.542 0.646 20 30 JCEDRN Cc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1S(=O)(=O)NCC#N ZINC000731183409 1069802249 /nfs/dbraw/zinc/80/22/49/1069802249.db2.gz VNQWUJGIKVKVIW-UHFFFAOYSA-N 0 0 476.580 0.962 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1S(=O)(=O)NCC#N ZINC000731183526 1069799802 /nfs/dbraw/zinc/79/98/02/1069799802.db2.gz YVVRANIOMAWMJQ-UHFFFAOYSA-N 0 0 487.563 0.704 20 30 JCEDRN Cc1ccc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000731184570 1069800204 /nfs/dbraw/zinc/80/02/04/1069800204.db2.gz JWSCLVFHRSFKKO-UHFFFAOYSA-N 0 0 493.586 0.948 20 30 JCEDRN Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000731185223 1069800526 /nfs/dbraw/zinc/80/05/26/1069800526.db2.gz RRRXHMOIEYZVEH-UHFFFAOYSA-N 0 0 479.559 0.606 20 30 JCEDRN NC(=O)CCNC(=O)c1ccccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000731189283 1069801461 /nfs/dbraw/zinc/80/14/61/1069801461.db2.gz MLGFBPFERWZOSZ-UHFFFAOYSA-N 0 0 457.512 0.749 20 30 JCEDRN NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000731192055 1069802033 /nfs/dbraw/zinc/80/20/33/1069802033.db2.gz PEWSWGXRTGJUJH-UHFFFAOYSA-N 0 0 475.502 0.888 20 30 JCEDRN NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000731192995 1069802799 /nfs/dbraw/zinc/80/27/99/1069802799.db2.gz XOONDJDTMHTPQA-UHFFFAOYSA-N 0 0 461.475 0.498 20 30 JCEDRN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000731198225 1069803364 /nfs/dbraw/zinc/80/33/64/1069803364.db2.gz GSQXBYWMMXICSP-MSOLQXFVSA-N 0 0 475.615 0.954 20 30 JCEDRN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000731198226 1069803708 /nfs/dbraw/zinc/80/37/08/1069803708.db2.gz GSQXBYWMMXICSP-QZTJIDSGSA-N 0 0 475.615 0.954 20 30 JCEDRN CCN1CCN(C(=O)CC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000731200376 1069803424 /nfs/dbraw/zinc/80/34/24/1069803424.db2.gz AYAFSPSWJPVMHF-UHFFFAOYSA-N 0 0 475.615 0.908 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c1 ZINC000731202121 1069804493 /nfs/dbraw/zinc/80/44/93/1069804493.db2.gz HCNOWSFIGWAHTN-UHFFFAOYSA-N 0 0 472.542 0.925 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 ZINC000731202478 1069804206 /nfs/dbraw/zinc/80/42/06/1069804206.db2.gz JQYJBJMIVRVKOJ-UHFFFAOYSA-N 0 0 472.542 0.925 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000731202486 1069804000 /nfs/dbraw/zinc/80/40/00/1069804000.db2.gz JZRFJIHAOYMRFI-UHFFFAOYSA-N 0 0 473.530 0.438 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000731203012 1069803287 /nfs/dbraw/zinc/80/32/87/1069803287.db2.gz PVMRUEPXWCWLNO-UHFFFAOYSA-N 0 0 487.557 0.829 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(C)c2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000731203228 1069805133 /nfs/dbraw/zinc/80/51/33/1069805133.db2.gz BLMJVHNELCTKSQ-UHFFFAOYSA-N 0 0 470.595 0.125 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)s1 ZINC000731203760 1069804392 /nfs/dbraw/zinc/80/43/92/1069804392.db2.gz VINSHLPCLAMRAE-UHFFFAOYSA-N 0 0 460.625 0.847 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3C)c(=O)n2CCOC)CC1 ZINC000731203812 1069804231 /nfs/dbraw/zinc/80/42/31/1069804231.db2.gz YHNZWTXYWMXLNC-UHFFFAOYSA-N 0 0 454.596 0.840 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCOC)c2=O)s1 ZINC000731203849 1069804343 /nfs/dbraw/zinc/80/43/43/1069804343.db2.gz YXRWXEPYIYHNIO-UHFFFAOYSA-N 0 0 476.624 0.132 20 30 JCEDRN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000731203926 1069803909 /nfs/dbraw/zinc/80/39/09/1069803909.db2.gz WSOFYIHPEZVDDO-IAGOWNOFSA-N 0 0 461.588 0.564 20 30 JCEDRN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000731203927 1069804035 /nfs/dbraw/zinc/80/40/35/1069804035.db2.gz WSOFYIHPEZVDDO-SJORKVTESA-N 0 0 461.588 0.564 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCS(C)(=O)=O ZINC000731204215 1069805110 /nfs/dbraw/zinc/80/51/10/1069805110.db2.gz BAQHZIPFCJEWTA-UHFFFAOYSA-N 0 0 491.635 0.617 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCS(C)(=O)=O)c2=O)s1 ZINC000731204216 1069804774 /nfs/dbraw/zinc/80/47/74/1069804774.db2.gz BCAZSVOXETYLNY-UHFFFAOYSA-N 0 0 483.637 0.234 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)s1 ZINC000731204235 1069804982 /nfs/dbraw/zinc/80/49/82/1069804982.db2.gz BTBDZSFKNJFVTC-UHFFFAOYSA-N 0 0 465.622 0.704 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1C ZINC000731204253 1069805008 /nfs/dbraw/zinc/80/50/08/1069805008.db2.gz CDJWDOFGJCGIGA-UHFFFAOYSA-N 0 0 461.609 0.847 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCS(C)(=O)=O ZINC000731204299 1069804940 /nfs/dbraw/zinc/80/49/40/1069804940.db2.gz GABHOHCKXZIBHN-UHFFFAOYSA-N 0 0 461.609 0.991 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)s1 ZINC000731204518 1069804747 /nfs/dbraw/zinc/80/47/47/1069804747.db2.gz KEILSUTWGYXCJH-UHFFFAOYSA-N 0 0 451.595 0.360 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCS(C)(=O)=O ZINC000731204596 1069804961 /nfs/dbraw/zinc/80/49/61/1069804961.db2.gz NQNPVONDUXJJHD-UHFFFAOYSA-N 0 0 451.595 0.384 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)s1 ZINC000731204608 1069804667 /nfs/dbraw/zinc/80/46/67/1069804667.db2.gz OMBRIKSXJOMIJW-UHFFFAOYSA-N 0 0 453.611 0.606 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCS(C)(=O)=O ZINC000731204768 1069804844 /nfs/dbraw/zinc/80/48/44/1069804844.db2.gz QHJSGEUSQUNVHA-UHFFFAOYSA-N 0 0 467.638 0.998 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCS(C)(=O)=O ZINC000731204770 1069804880 /nfs/dbraw/zinc/80/48/80/1069804880.db2.gz QHZHCIJRRINYDQ-UHFFFAOYSA-N 0 0 477.608 0.227 20 30 JCEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1C ZINC000731204818 1069804699 /nfs/dbraw/zinc/80/46/99/1069804699.db2.gz RWBRSAGOYXLRKW-UHFFFAOYSA-N 0 0 459.593 0.697 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCS(C)(=O)=O ZINC000731204911 1069804921 /nfs/dbraw/zinc/80/49/21/1069804921.db2.gz VERNLJQHDQKSKQ-UHFFFAOYSA-N 0 0 453.611 0.608 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)s1 ZINC000731205068 1069805866 /nfs/dbraw/zinc/80/58/66/1069805866.db2.gz YFOXARSUKULKDQ-UHFFFAOYSA-N 0 0 467.638 0.854 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(C)c(F)c1 ZINC000731214485 1069802868 /nfs/dbraw/zinc/80/28/68/1069802868.db2.gz QHBIFBAHCOUPMZ-UHFFFAOYSA-N 0 0 469.542 0.963 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000731223297 1069808552 /nfs/dbraw/zinc/80/85/52/1069808552.db2.gz DNXYGKZJXUIYPC-IBGZPJMESA-N 0 0 496.611 0.375 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000731223300 1069808444 /nfs/dbraw/zinc/80/84/44/1069808444.db2.gz DNXYGKZJXUIYPC-LJQANCHMSA-N 0 0 496.611 0.375 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000731232581 1069807295 /nfs/dbraw/zinc/80/72/95/1069807295.db2.gz ABLFRBZQEQNFGW-UHFFFAOYSA-N 0 0 463.563 0.926 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000731232603 1069807244 /nfs/dbraw/zinc/80/72/44/1069807244.db2.gz BKRUCCFRBRNKEN-UHFFFAOYSA-N 0 0 463.563 0.926 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000731232655 1069807196 /nfs/dbraw/zinc/80/71/96/1069807196.db2.gz FDAJTKKTVSZERI-FQEVSTJZSA-N 0 0 493.589 0.599 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 ZINC000731232656 1069807176 /nfs/dbraw/zinc/80/71/76/1069807176.db2.gz FDAJTKKTVSZERI-HXUWFJFHSA-N 0 0 493.589 0.599 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000731232932 1069806802 /nfs/dbraw/zinc/80/68/02/1069806802.db2.gz OPZQCJRNOPFZAN-UHFFFAOYSA-N 0 0 461.547 0.702 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000731232961 1069807018 /nfs/dbraw/zinc/80/70/18/1069807018.db2.gz QNPDWSCSSWDLNU-UHFFFAOYSA-N 0 0 451.552 0.829 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)OCC(=O)NCC#N)CC2)cc1 ZINC000731233068 1069806941 /nfs/dbraw/zinc/80/69/41/1069806941.db2.gz DECOVGDDRIXLBN-UHFFFAOYSA-N 0 0 484.534 0.938 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000731233194 1069807071 /nfs/dbraw/zinc/80/70/71/1069807071.db2.gz SJRXXRHEMDOWAR-UHFFFAOYSA-N 0 0 463.563 0.996 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)NCCOC ZINC000731233197 1069806871 /nfs/dbraw/zinc/80/68/71/1069806871.db2.gz SLSOGOSETHWERA-UHFFFAOYSA-N 0 0 451.552 0.830 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1CCOC ZINC000731233304 1069807736 /nfs/dbraw/zinc/80/77/36/1069807736.db2.gz WLAQHGBJLVAEJB-UHFFFAOYSA-N 0 0 467.551 0.067 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000731233354 1069807263 /nfs/dbraw/zinc/80/72/63/1069807263.db2.gz YDJGZLVSMAPYIO-UHFFFAOYSA-N 0 0 479.562 0.163 20 30 JCEDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCC#N)CC2)c1 ZINC000731233630 1069807152 /nfs/dbraw/zinc/80/71/52/1069807152.db2.gz MZEWTUBQGMPSSC-UHFFFAOYSA-N 0 0 450.517 0.100 20 30 JCEDRN N#CCNC(=O)COC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O ZINC000731233789 1069807124 /nfs/dbraw/zinc/80/71/24/1069807124.db2.gz QJWCJJPCZSQGBS-UHFFFAOYSA-N 0 0 486.488 0.639 20 30 JCEDRN N#CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000731233932 1069807046 /nfs/dbraw/zinc/80/70/46/1069807046.db2.gz UAKCDDCEIQRNCR-UHFFFAOYSA-N 0 0 456.908 0.136 20 30 JCEDRN CCn1c(CCC(=O)OCC(=O)NCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000731234235 1069807979 /nfs/dbraw/zinc/80/79/79/1069807979.db2.gz ZPAMCIOBRPXFRQ-UHFFFAOYSA-N 0 0 463.516 0.193 20 30 JCEDRN N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000731234242 1069808013 /nfs/dbraw/zinc/80/80/13/1069808013.db2.gz ACOQGLBYPKSRMO-UHFFFAOYSA-N 0 0 456.908 0.427 20 30 JCEDRN N#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000731234272 1069807861 /nfs/dbraw/zinc/80/78/61/1069807861.db2.gz BJWZMAKZDPMQNW-UHFFFAOYSA-N 0 0 456.524 0.990 20 30 JCEDRN N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000731236205 1069807637 /nfs/dbraw/zinc/80/76/37/1069807637.db2.gz RTCWCVXUSZGQGE-UHFFFAOYSA-N 0 0 450.517 0.494 20 30 JCEDRN N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br ZINC000731237450 1069807884 /nfs/dbraw/zinc/80/78/84/1069807884.db2.gz IBSPQESBSTXZOR-LLVKDONJSA-N 0 0 460.306 0.703 20 30 JCEDRN N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br ZINC000731237461 1069807670 /nfs/dbraw/zinc/80/76/70/1069807670.db2.gz IBSPQESBSTXZOR-NSHDSACASA-N 0 0 460.306 0.703 20 30 JCEDRN CCCn1c(CCC(=O)OCC(=O)NCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000731238049 1069807483 /nfs/dbraw/zinc/80/74/83/1069807483.db2.gz UPMVRYKDYMATAO-UHFFFAOYSA-N 0 0 477.543 0.583 20 30 JCEDRN N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000731238987 1069807513 /nfs/dbraw/zinc/80/75/13/1069807513.db2.gz QFWIYLZAAPTQLV-UHFFFAOYSA-N 0 0 450.517 0.494 20 30 JCEDRN CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)OCC(=O)NCC#N ZINC000731241238 1069811189 /nfs/dbraw/zinc/81/11/89/1069811189.db2.gz TUBIMBACKVMBRM-PXAZEXFGSA-N 0 0 472.951 0.918 20 30 JCEDRN CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)OCC(=O)NCC#N ZINC000731241241 1069812089 /nfs/dbraw/zinc/81/20/89/1069812089.db2.gz TUBIMBACKVMBRM-SJCJKPOMSA-N 0 0 472.951 0.918 20 30 JCEDRN CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)OCC(=O)NCC#N ZINC000731241242 1069812159 /nfs/dbraw/zinc/81/21/59/1069812159.db2.gz TUBIMBACKVMBRM-SJKOYZFVSA-N 0 0 472.951 0.918 20 30 JCEDRN CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)OCC(=O)NCC#N ZINC000731241243 1069811841 /nfs/dbraw/zinc/81/18/41/1069811841.db2.gz TUBIMBACKVMBRM-YVEFUNNKSA-N 0 0 472.951 0.918 20 30 JCEDRN N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I ZINC000731244238 1069808499 /nfs/dbraw/zinc/80/84/99/1069808499.db2.gz KZHPUXDMHDZYFQ-UHFFFAOYSA-N 0 0 493.279 0.109 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(I)c(C(=O)OCC(=O)NCC#N)c1 ZINC000731244831 1069812314 /nfs/dbraw/zinc/81/23/14/1069812314.db2.gz XXVSBJODXZSXIC-UHFFFAOYSA-N 0 0 451.242 0.338 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000731253085 1069809035 /nfs/dbraw/zinc/80/90/35/1069809035.db2.gz FSYASXFHJOXOJY-FQEVSTJZSA-N 0 0 490.582 0.588 20 30 JCEDRN N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000731253086 1069808992 /nfs/dbraw/zinc/80/89/92/1069808992.db2.gz FSYASXFHJOXOJY-HXUWFJFHSA-N 0 0 490.582 0.588 20 30 JCEDRN CS(=O)(=O)CCCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000731255765 1069810230 /nfs/dbraw/zinc/81/02/30/1069810230.db2.gz HZXFFUSFEBXPQI-UHFFFAOYSA-N 0 0 450.473 0.823 20 30 JCEDRN Cn1c2ncn(CCOC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2c(=O)n(C)c1=O ZINC000731257669 1069810764 /nfs/dbraw/zinc/81/07/64/1069810764.db2.gz ZUXSIDSZDMEVPB-UHFFFAOYSA-N 0 0 452.471 0.704 20 30 JCEDRN CC(=O)NC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 ZINC000731258494 1069811568 /nfs/dbraw/zinc/81/15/68/1069811568.db2.gz QYZIWRULZDHLBQ-UHFFFAOYSA-N 0 0 462.528 0.383 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ZINC000731290505 1069816611 /nfs/dbraw/zinc/81/66/11/1069816611.db2.gz FIKVYLXDMDCBOL-UHFFFAOYSA-N 0 0 450.521 0.202 20 30 JCEDRN CN(CCOC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)S(=O)(=O)N1CCOCC1 ZINC000731294573 1069823207 /nfs/dbraw/zinc/82/32/07/1069823207.db2.gz MNXITXHXSQTKRJ-UHFFFAOYSA-N 0 0 459.546 0.430 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000731337555 1069825006 /nfs/dbraw/zinc/82/50/06/1069825006.db2.gz SLMPKFWHJOBMAP-UHFFFAOYSA-N 0 0 481.578 0.849 20 30 JCEDRN CCS(=O)(=O)N(C)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000731347899 1069825624 /nfs/dbraw/zinc/82/56/24/1069825624.db2.gz WHGCPQALTGMWOW-UHFFFAOYSA-N 0 0 456.590 0.778 20 30 JCEDRN CCN(C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1)S(C)(=O)=O ZINC000731350377 1069827005 /nfs/dbraw/zinc/82/70/05/1069827005.db2.gz URDMFYWNQBFRBX-UHFFFAOYSA-N 0 0 456.590 0.778 20 30 JCEDRN CN1CCN(C(=O)CC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000731351765 1069828066 /nfs/dbraw/zinc/82/80/66/1069828066.db2.gz WVEATDMDJUXDOQ-UHFFFAOYSA-N 0 0 461.588 0.518 20 30 JCEDRN CN1CCN(C(=O)CC2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000731352097 1069826947 /nfs/dbraw/zinc/82/69/47/1069826947.db2.gz DPQJMAIJFASRJB-UHFFFAOYSA-N 0 0 475.615 0.908 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnc4ccccc34)c(=O)n2CCOC)CC1 ZINC000731352334 1069828940 /nfs/dbraw/zinc/82/89/40/1069828940.db2.gz IWQLKRUDYYNCOI-UHFFFAOYSA-N 0 0 477.590 0.772 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccnc3ccccc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000731352497 1069828741 /nfs/dbraw/zinc/82/87/41/1069828741.db2.gz MAKOWYMYOGFAJF-UHFFFAOYSA-N 0 0 450.520 0.466 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCOC ZINC000731352839 1069828245 /nfs/dbraw/zinc/82/82/45/1069828245.db2.gz SUSXOGTUGULOPC-UHFFFAOYSA-N 0 0 452.536 0.760 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccnc3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000731352902 1069828040 /nfs/dbraw/zinc/82/80/40/1069828040.db2.gz WJRVZBRFPUDWTN-UHFFFAOYSA-N 0 0 493.589 0.056 20 30 JCEDRN N#Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000731352990 1069828016 /nfs/dbraw/zinc/82/80/16/1069828016.db2.gz GMDHPPRNAUVCHM-UHFFFAOYSA-N 0 0 456.480 0.801 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)c1=O ZINC000731354055 1069830344 /nfs/dbraw/zinc/83/03/44/1069830344.db2.gz DZFSONBLXPTROS-UHFFFAOYSA-N 0 0 480.569 0.098 20 30 JCEDRN C=CCn1nnn(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1=S ZINC000731354143 1069829635 /nfs/dbraw/zinc/82/96/35/1069829635.db2.gz JOYDPAFBDSBYGH-UHFFFAOYSA-N 0 0 451.534 0.290 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc1 ZINC000731360027 1069832430 /nfs/dbraw/zinc/83/24/30/1069832430.db2.gz TWNIZXQQDPKTIU-UHFFFAOYSA-N 0 0 485.526 0.412 20 30 JCEDRN C=C(Br)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000731361237 1069832927 /nfs/dbraw/zinc/83/29/27/1069832927.db2.gz AVAGENKLZCORMB-UHFFFAOYSA-N 0 0 459.322 0.942 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000731403800 1069834353 /nfs/dbraw/zinc/83/43/53/1069834353.db2.gz WNWWFRJFJDERSX-UHFFFAOYSA-N 0 0 485.526 0.412 20 30 JCEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000731409366 1069835409 /nfs/dbraw/zinc/83/54/09/1069835409.db2.gz LGWYAXYGNAHSHQ-UHFFFAOYSA-N 0 0 498.517 0.501 20 30 JCEDRN C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000731409409 1069835205 /nfs/dbraw/zinc/83/52/05/1069835205.db2.gz MHBWZALWGDXMTC-UHFFFAOYSA-N 0 0 468.491 0.470 20 30 JCEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000731409442 1069836121 /nfs/dbraw/zinc/83/61/21/1069836121.db2.gz NJWYHVBFGVYDNE-UHFFFAOYSA-N 0 0 498.517 0.501 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000731409802 1069835035 /nfs/dbraw/zinc/83/50/35/1069835035.db2.gz YAQPDMPPKSWQBS-UHFFFAOYSA-N 0 0 499.505 0.391 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)c1=O ZINC000732447638 1069836276 /nfs/dbraw/zinc/83/62/76/1069836276.db2.gz FEDPEHJSKOUVQV-UHFFFAOYSA-N 0 0 489.598 0.460 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1=O ZINC000732468207 1069837031 /nfs/dbraw/zinc/83/70/31/1069837031.db2.gz GOGFXJNGCUKOER-UHFFFAOYSA-N 0 0 499.952 0.300 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3c(C)nc4cc(C)ccn43)CC2)c1=O ZINC000732473178 1069837252 /nfs/dbraw/zinc/83/72/52/1069837252.db2.gz KZDDVJBCZRDJKD-UHFFFAOYSA-N 0 0 465.558 0.584 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOc3ccc(Cl)cc3)CC2)c1=O ZINC000732491118 1069837064 /nfs/dbraw/zinc/83/70/64/1069837064.db2.gz DACWKPATPMPRBD-UHFFFAOYSA-N 0 0 461.950 0.851 20 30 JCEDRN Cn1c([C@H]2CCS(=O)(=O)C2)nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=S ZINC000732526638 1069837129 /nfs/dbraw/zinc/83/71/29/1069837129.db2.gz OPHDYZYCEHAQLZ-INIZCTEOSA-N 0 0 496.640 0.689 20 30 JCEDRN Cn1c([C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=S ZINC000732526642 1069837402 /nfs/dbraw/zinc/83/74/02/1069837402.db2.gz OPHDYZYCEHAQLZ-MRXNPFEDSA-N 0 0 496.640 0.689 20 30 JCEDRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000733721114 1069839415 /nfs/dbraw/zinc/83/94/15/1069839415.db2.gz YUUBJXOVRUDWEU-CALCHBBNSA-N 0 0 461.588 0.374 20 30 JCEDRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000733721121 1069839701 /nfs/dbraw/zinc/83/97/01/1069839701.db2.gz YUUBJXOVRUDWEU-IAGOWNOFSA-N 0 0 461.588 0.374 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(OC(C)C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000742530610 1069867806 /nfs/dbraw/zinc/86/78/06/1069867806.db2.gz AHJNJBVDPIUDMA-UHFFFAOYSA-N 0 0 457.552 0.705 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(C)cc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000742530732 1069867843 /nfs/dbraw/zinc/86/78/43/1069867843.db2.gz DYQDPZDZUAGJFF-UHFFFAOYSA-N 0 0 470.595 0.125 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000742530817 1069867763 /nfs/dbraw/zinc/86/77/63/1069867763.db2.gz GOHWPRWQUHFGCA-UHFFFAOYSA-N 0 0 494.976 0.300 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)cc(C)c3)c(=O)n2CCOC)CC1 ZINC000742530974 1069867456 /nfs/dbraw/zinc/86/74/56/1069867456.db2.gz MEDLYNWQGPAOEH-UHFFFAOYSA-N 0 0 454.596 0.840 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Cl)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000742530988 1069867706 /nfs/dbraw/zinc/86/77/06/1069867706.db2.gz MXBYLVCTVYAGBY-UHFFFAOYSA-N 0 0 451.907 0.711 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OCC(F)(F)F)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000742531052 1069867441 /nfs/dbraw/zinc/86/74/41/1069867441.db2.gz QHCXXIHZSXNESK-UHFFFAOYSA-N 0 0 497.495 0.859 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(OC(C)C)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000742531152 1069867548 /nfs/dbraw/zinc/86/75/48/1069867548.db2.gz YDCSAGYXXXUQLM-INIZCTEOSA-N 0 0 459.568 0.998 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(OC(C)C)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000742531153 1069867892 /nfs/dbraw/zinc/86/78/92/1069867892.db2.gz YDCSAGYXXXUQLM-MRXNPFEDSA-N 0 0 459.568 0.998 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000742534774 1069867828 /nfs/dbraw/zinc/86/78/28/1069867828.db2.gz HEQBBGIJAOHERQ-UHFFFAOYSA-N 0 0 494.495 0.744 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000742535026 1069867426 /nfs/dbraw/zinc/86/74/26/1069867426.db2.gz LECMHERNTQDWLH-UHFFFAOYSA-N 0 0 454.552 0.590 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000742734237 1069868475 /nfs/dbraw/zinc/86/84/75/1069868475.db2.gz YCFGSFJROSJFKF-DLBZAZTESA-N 0 0 479.555 0.946 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000742734238 1069868156 /nfs/dbraw/zinc/86/81/56/1069868156.db2.gz YCFGSFJROSJFKF-IAGOWNOFSA-N 0 0 479.555 0.946 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000742734239 1069868081 /nfs/dbraw/zinc/86/80/81/1069868081.db2.gz YCFGSFJROSJFKF-IRXDYDNUSA-N 0 0 479.555 0.946 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000742734257 1069868383 /nfs/dbraw/zinc/86/83/83/1069868383.db2.gz YCFGSFJROSJFKF-SJORKVTESA-N 0 0 479.555 0.946 20 30 JCEDRN COc1ccc(N2CCN(CCNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000742927069 1069870352 /nfs/dbraw/zinc/87/03/52/1069870352.db2.gz HBTSMPPUWVLLTC-UHFFFAOYSA-N 0 0 457.556 0.672 20 30 JCEDRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000743093789 1069871203 /nfs/dbraw/zinc/87/12/03/1069871203.db2.gz BESYGCCGZXEQSS-OAHLLOKOSA-N 0 0 480.543 0.848 20 30 JCEDRN CC(C)(C)OC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000743111320 1069871843 /nfs/dbraw/zinc/87/18/43/1069871843.db2.gz NKUHGSLBBLDAMK-UHFFFAOYSA-N 0 0 466.516 0.459 20 30 JCEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000743115246 1069871819 /nfs/dbraw/zinc/87/18/19/1069871819.db2.gz BESYGCCGZXEQSS-HNNXBMFYSA-N 0 0 480.543 0.848 20 30 JCEDRN CC(=O)NCc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 ZINC000743153285 1069872469 /nfs/dbraw/zinc/87/24/69/1069872469.db2.gz RKBGTBJZWDUHTN-UHFFFAOYSA-N 0 0 490.563 0.946 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000743381281 1069875124 /nfs/dbraw/zinc/87/51/24/1069875124.db2.gz SRQGRACLBVIJGX-UHFFFAOYSA-N 0 0 465.514 0.516 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000743394491 1069875872 /nfs/dbraw/zinc/87/58/72/1069875872.db2.gz BRGJKIHRCLYTAL-UHFFFAOYSA-N 0 0 465.514 0.516 20 30 JCEDRN CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000743433758 1069879134 /nfs/dbraw/zinc/87/91/34/1069879134.db2.gz JPVYTJMTJWJTKX-KGWRKDBXSA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 ZINC000743433759 1069879470 /nfs/dbraw/zinc/87/94/70/1069879470.db2.gz JPVYTJMTJWJTKX-PWEHGMCJSA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000743433760 1069879581 /nfs/dbraw/zinc/87/95/81/1069879581.db2.gz JPVYTJMTJWJTKX-UAFKWENTSA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 ZINC000743433761 1069879233 /nfs/dbraw/zinc/87/92/33/1069879233.db2.gz JPVYTJMTJWJTKX-WGCOJADFSA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000743434347 1069879053 /nfs/dbraw/zinc/87/90/53/1069879053.db2.gz NJIQVIWMTRBGDY-KGWRKDBXSA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000743434349 1069879204 /nfs/dbraw/zinc/87/92/04/1069879204.db2.gz NJIQVIWMTRBGDY-PWEHGMCJSA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000743434351 1069879220 /nfs/dbraw/zinc/87/92/20/1069879220.db2.gz NJIQVIWMTRBGDY-UAFKWENTSA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000743434353 1069879159 /nfs/dbraw/zinc/87/91/59/1069879159.db2.gz NJIQVIWMTRBGDY-WGCOJADFSA-N 0 0 463.560 0.813 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1OCCN1CCOCC1 ZINC000743936968 1069882930 /nfs/dbraw/zinc/88/29/30/1069882930.db2.gz JKOXNKPICKVYDH-UHFFFAOYSA-N 0 0 458.540 0.753 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000744085492 1069883943 /nfs/dbraw/zinc/88/39/43/1069883943.db2.gz KHTKIQASUJRLPA-UHFFFAOYSA-N 0 0 469.567 0.970 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000744088557 1069884940 /nfs/dbraw/zinc/88/49/40/1069884940.db2.gz BBWPUWDHACGPQQ-UHFFFAOYSA-N 0 0 455.540 0.580 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cc(C)ccc1F ZINC000744116817 1069884565 /nfs/dbraw/zinc/88/45/65/1069884565.db2.gz QKRKVMLCNVECOB-UHFFFAOYSA-N 0 0 469.542 0.963 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000744121561 1069884978 /nfs/dbraw/zinc/88/49/78/1069884978.db2.gz HMYSKALKPSCFDF-UHFFFAOYSA-N 0 0 453.499 0.442 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1F ZINC000744121838 1069884913 /nfs/dbraw/zinc/88/49/13/1069884913.db2.gz NGODOJDVYLSSFG-UHFFFAOYSA-N 0 0 455.515 0.736 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1F ZINC000744121873 1069884712 /nfs/dbraw/zinc/88/47/12/1069884712.db2.gz NZYSZPZWTJWGQK-AWEZNQCLSA-N 0 0 455.515 0.734 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1F ZINC000744121874 1069884861 /nfs/dbraw/zinc/88/48/61/1069884861.db2.gz NZYSZPZWTJWGQK-CQSZACIVSA-N 0 0 455.515 0.734 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2cc(C)ccc2F)CC1 ZINC000744122156 1069884636 /nfs/dbraw/zinc/88/46/36/1069884636.db2.gz XZEJZZSVSVHFFC-UHFFFAOYSA-N 0 0 480.569 0.747 20 30 JCEDRN Cc1ccc(F)c(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000744122164 1069884610 /nfs/dbraw/zinc/88/46/10/1069884610.db2.gz YJIMAIMEDCSZBO-UHFFFAOYSA-N 0 0 496.568 0.032 20 30 JCEDRN C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 ZINC000744366179 1069887311 /nfs/dbraw/zinc/88/73/11/1069887311.db2.gz FQRDEZBTEIUWLE-UHFFFAOYSA-N 0 0 451.545 0.506 20 30 JCEDRN C#CCCN1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 ZINC000744371003 1069887531 /nfs/dbraw/zinc/88/75/31/1069887531.db2.gz LEEJGIOGGXVTLP-UHFFFAOYSA-N 0 0 460.556 0.937 20 30 JCEDRN C#CCCN1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000744371387 1069887591 /nfs/dbraw/zinc/88/75/91/1069887591.db2.gz XDBHMFNRUZXDML-UHFFFAOYSA-N 0 0 460.600 0.776 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2ccc(=O)c3ccccc32)CC1 ZINC000744524693 1069888701 /nfs/dbraw/zinc/88/87/01/1069888701.db2.gz TWVBPKRJYNSIDJ-UHFFFAOYSA-N 0 0 494.529 0.949 20 30 JCEDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000744652899 1070026853 /nfs/dbraw/zinc/02/68/53/1070026853.db2.gz PHBPEAJJCVOTRG-UHFFFAOYSA-N 0 0 476.471 0.048 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)NCc1ccco1 ZINC000744908115 1069894911 /nfs/dbraw/zinc/89/49/11/1069894911.db2.gz LOPXJXJPYDOYKA-GYQDZVIGSA-N 0 0 475.527 0.852 20 30 JCEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)NCc1ccco1 ZINC000744908116 1069894870 /nfs/dbraw/zinc/89/48/70/1069894870.db2.gz LOPXJXJPYDOYKA-HUEFVVPSSA-N 0 0 475.527 0.852 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)NCc1ccco1 ZINC000744908118 1069894811 /nfs/dbraw/zinc/89/48/11/1069894811.db2.gz LOPXJXJPYDOYKA-JHOJOOQCSA-N 0 0 475.527 0.852 20 30 JCEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)NCc1ccco1 ZINC000744908123 1069894674 /nfs/dbraw/zinc/89/46/74/1069894674.db2.gz LOPXJXJPYDOYKA-JYMIEJHZSA-N 0 0 475.527 0.852 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)NCc1ccco1 ZINC000744908690 1069895036 /nfs/dbraw/zinc/89/50/36/1069895036.db2.gz WIKBLKCZPGAHIM-GYQDZVIGSA-N 0 0 475.527 0.852 20 30 JCEDRN C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)NCc1ccco1 ZINC000744908691 1069895053 /nfs/dbraw/zinc/89/50/53/1069895053.db2.gz WIKBLKCZPGAHIM-HUEFVVPSSA-N 0 0 475.527 0.852 20 30 JCEDRN C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)NCc1ccco1 ZINC000744908692 1069894972 /nfs/dbraw/zinc/89/49/72/1069894972.db2.gz WIKBLKCZPGAHIM-JHOJOOQCSA-N 0 0 475.527 0.852 20 30 JCEDRN C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)NCc1ccco1 ZINC000744908693 1069894923 /nfs/dbraw/zinc/89/49/23/1069894923.db2.gz WIKBLKCZPGAHIM-JYMIEJHZSA-N 0 0 475.527 0.852 20 30 JCEDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000744919716 1069894774 /nfs/dbraw/zinc/89/47/74/1069894774.db2.gz IBOSLEHEZTUIAQ-IQVWLQHGSA-N 0 0 451.549 0.857 20 30 JCEDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000744919717 1069895747 /nfs/dbraw/zinc/89/57/47/1069895747.db2.gz IBOSLEHEZTUIAQ-LRJITTQHSA-N 0 0 451.549 0.857 20 30 JCEDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000744919718 1069895647 /nfs/dbraw/zinc/89/56/47/1069895647.db2.gz IBOSLEHEZTUIAQ-PEZYZRJDSA-N 0 0 451.549 0.857 20 30 JCEDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000744919719 1069895377 /nfs/dbraw/zinc/89/53/77/1069895377.db2.gz IBOSLEHEZTUIAQ-RBNDABMNSA-N 0 0 451.549 0.857 20 30 JCEDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000744920404 1069895460 /nfs/dbraw/zinc/89/54/60/1069895460.db2.gz OWSVAIVJDBTPGV-IQVWLQHGSA-N 0 0 451.549 0.857 20 30 JCEDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000744920406 1069895690 /nfs/dbraw/zinc/89/56/90/1069895690.db2.gz OWSVAIVJDBTPGV-LRJITTQHSA-N 0 0 451.549 0.857 20 30 JCEDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000744920408 1069895409 /nfs/dbraw/zinc/89/54/09/1069895409.db2.gz OWSVAIVJDBTPGV-PEZYZRJDSA-N 0 0 451.549 0.857 20 30 JCEDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000744920410 1069895571 /nfs/dbraw/zinc/89/55/71/1069895571.db2.gz OWSVAIVJDBTPGV-RBNDABMNSA-N 0 0 451.549 0.857 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1 ZINC000744938042 1069897875 /nfs/dbraw/zinc/89/78/75/1069897875.db2.gz ILZZWRIXXLHZMF-GOSISDBHSA-N 0 0 458.544 0.952 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1 ZINC000744938045 1069897663 /nfs/dbraw/zinc/89/76/63/1069897663.db2.gz ILZZWRIXXLHZMF-SFHVURJKSA-N 0 0 458.544 0.952 20 30 JCEDRN Cn1ncc2c1ncn(CC(=O)[C@H](C#N)c1nnc(N3CCOCC3)n1-c1ccccc1)c2=O ZINC000744938105 1069897891 /nfs/dbraw/zinc/89/78/91/1069897891.db2.gz JHPHTKGGGDAWFW-INIZCTEOSA-N 0 0 459.470 0.424 20 30 JCEDRN Cn1ncc2c1ncn(CC(=O)[C@@H](C#N)c1nnc(N3CCOCC3)n1-c1ccccc1)c2=O ZINC000744938109 1069897905 /nfs/dbraw/zinc/89/79/05/1069897905.db2.gz JHPHTKGGGDAWFW-MRXNPFEDSA-N 0 0 459.470 0.424 20 30 JCEDRN N#C[C@H](C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000744938728 1069897767 /nfs/dbraw/zinc/89/77/67/1069897767.db2.gz NGOKCWBGOAKQBY-GOSISDBHSA-N 0 0 479.522 0.778 20 30 JCEDRN N#C[C@@H](C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000744938729 1069897838 /nfs/dbraw/zinc/89/78/38/1069897838.db2.gz NGOKCWBGOAKQBY-SFHVURJKSA-N 0 0 479.522 0.778 20 30 JCEDRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745069170 1069899053 /nfs/dbraw/zinc/89/90/53/1069899053.db2.gz NNUSOUATRJULGT-UHFFFAOYSA-N 0 0 458.496 0.845 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCCc3cccs3)CC2)c1=O ZINC000745167536 1069899773 /nfs/dbraw/zinc/89/97/73/1069899773.db2.gz GETHXJZKMZZMBI-UHFFFAOYSA-N 0 0 459.572 0.634 20 30 JCEDRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000745298497 1069902381 /nfs/dbraw/zinc/90/23/81/1069902381.db2.gz KXKVYOXJIBKALG-UHFFFAOYSA-N 0 0 452.471 0.601 20 30 JCEDRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000745299175 1069903127 /nfs/dbraw/zinc/90/31/27/1069903127.db2.gz YYFCIAJMXJOKBT-UHFFFAOYSA-N 0 0 452.471 0.601 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000745339060 1069902941 /nfs/dbraw/zinc/90/29/41/1069902941.db2.gz FVTLKDXMEUUPRK-IBGZPJMESA-N 0 0 486.550 0.025 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000745339061 1069903014 /nfs/dbraw/zinc/90/30/14/1069903014.db2.gz FVTLKDXMEUUPRK-LJQANCHMSA-N 0 0 486.550 0.025 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 ZINC000745339444 1069903743 /nfs/dbraw/zinc/90/37/43/1069903743.db2.gz XQMYARMPWODEBA-UHFFFAOYSA-N 0 0 480.546 0.941 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 ZINC000745339959 1069903853 /nfs/dbraw/zinc/90/38/53/1069903853.db2.gz VEJBYKHQLLWPCV-JOCHJYFZSA-N 0 0 459.506 0.980 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000745339960 1069903769 /nfs/dbraw/zinc/90/37/69/1069903769.db2.gz VEJBYKHQLLWPCV-QFIPXVFZSA-N 0 0 459.506 0.980 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN(C)S(=O)(=O)c2cccnc2)c1 ZINC000745339998 1069903957 /nfs/dbraw/zinc/90/39/57/1069903957.db2.gz XNYLCFPBCXAESX-UHFFFAOYSA-N 0 0 456.524 0.575 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC000745499213 1069906344 /nfs/dbraw/zinc/90/63/44/1069906344.db2.gz AZQMVKQMWSCBGD-UHFFFAOYSA-N 0 0 468.557 0.954 20 30 JCEDRN COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745534914 1069907166 /nfs/dbraw/zinc/90/71/66/1069907166.db2.gz HWQCCGZSDCHQHV-LFIBNONCSA-N 0 0 467.525 0.638 20 30 JCEDRN COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745534916 1069906969 /nfs/dbraw/zinc/90/69/69/1069906969.db2.gz HWQCCGZSDCHQHV-WJDWOHSUSA-N 0 0 467.525 0.638 20 30 JCEDRN COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000745536082 1069907380 /nfs/dbraw/zinc/90/73/80/1069907380.db2.gz YCGJEIGKDHAHSM-CXUHLZMHSA-N 0 0 453.498 0.360 20 30 JCEDRN COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000745536086 1069906925 /nfs/dbraw/zinc/90/69/25/1069906925.db2.gz YCGJEIGKDHAHSM-SXGWCWSVSA-N 0 0 453.498 0.360 20 30 JCEDRN NC(=O)COc1ccc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000745984136 1069909404 /nfs/dbraw/zinc/90/94/04/1069909404.db2.gz NACIGKUXWIWRPW-UHFFFAOYSA-N 0 0 463.472 0.926 20 30 JCEDRN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc(Cl)c1OCC(N)=O ZINC000745987087 1069909476 /nfs/dbraw/zinc/90/94/76/1069909476.db2.gz MCIPYIFADHABIH-UHFFFAOYSA-N 0 0 496.977 0.990 20 30 JCEDRN NC(=O)COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000745989715 1069909463 /nfs/dbraw/zinc/90/94/63/1069909463.db2.gz XXBCRRCMTFYCHX-UHFFFAOYSA-N 0 0 463.472 0.926 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000746135764 1069911772 /nfs/dbraw/zinc/91/17/72/1069911772.db2.gz UXDSRMUZGVWHPM-KRWDZBQOSA-N 0 0 483.568 0.338 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000746135767 1069912023 /nfs/dbraw/zinc/91/20/23/1069912023.db2.gz UXDSRMUZGVWHPM-QGZVFWFLSA-N 0 0 483.568 0.338 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000746135980 1069911915 /nfs/dbraw/zinc/91/19/15/1069911915.db2.gz XPEKZRSXCCLAIM-UHFFFAOYSA-N 0 0 462.509 0.596 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2SCC(N)=O)c1 ZINC000746138412 1069911925 /nfs/dbraw/zinc/91/19/25/1069911925.db2.gz FGYZULJTYOWYMU-UHFFFAOYSA-N 0 0 462.509 0.596 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000746139069 1069912064 /nfs/dbraw/zinc/91/20/64/1069912064.db2.gz FSIVUFZAYMKNES-KRWDZBQOSA-N 0 0 483.568 0.338 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000746139070 1069912000 /nfs/dbraw/zinc/91/20/00/1069912000.db2.gz FSIVUFZAYMKNES-QGZVFWFLSA-N 0 0 483.568 0.338 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccccc1SCC(N)=O ZINC000746150268 1069912830 /nfs/dbraw/zinc/91/28/30/1069912830.db2.gz KEVYRXZELCJQGD-UHFFFAOYSA-N 0 0 462.509 0.596 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000746150342 1069912800 /nfs/dbraw/zinc/91/28/00/1069912800.db2.gz NQTCQZWBFUCHHU-KRWDZBQOSA-N 0 0 483.568 0.338 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000746150343 1069912877 /nfs/dbraw/zinc/91/28/77/1069912877.db2.gz NQTCQZWBFUCHHU-QGZVFWFLSA-N 0 0 483.568 0.338 20 30 JCEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C(=O)NO)cc2)c1 ZINC000746263616 1069916674 /nfs/dbraw/zinc/91/66/74/1069916674.db2.gz JTPPQJJPUDMUAD-UHFFFAOYSA-N 0 0 462.528 0.882 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCc2ccc(C(=O)NO)cc2)c1OC ZINC000746264139 1069916709 /nfs/dbraw/zinc/91/67/09/1069916709.db2.gz YPRRAZOTSZTKBC-UHFFFAOYSA-N 0 0 479.511 0.774 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 ZINC000746267919 1069917308 /nfs/dbraw/zinc/91/73/08/1069917308.db2.gz AEQWMEZKLXRLFD-UHFFFAOYSA-N 0 0 462.528 0.823 20 30 JCEDRN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccc(C(=O)NO)cc1 ZINC000746268223 1069918170 /nfs/dbraw/zinc/91/81/70/1069918170.db2.gz HIBWDAGJZKTZNX-UHFFFAOYSA-N 0 0 474.539 0.735 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C(=O)NO)cc3)c2)CC1 ZINC000746268501 1069917413 /nfs/dbraw/zinc/91/74/13/1069917413.db2.gz KUJVCTAGOAFDMP-UHFFFAOYSA-N 0 0 460.512 0.588 20 30 JCEDRN COc1ccc(CC(=O)NCc2ccc(C(=O)NO)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000746268514 1069917259 /nfs/dbraw/zinc/91/72/59/1069917259.db2.gz KXALMYYROFVBGT-UHFFFAOYSA-N 0 0 463.512 0.694 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2)CC1 ZINC000746268650 1069917275 /nfs/dbraw/zinc/91/72/75/1069917275.db2.gz RIEFIYLPRODVRI-UHFFFAOYSA-N 0 0 460.512 0.588 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000746275771 1069918225 /nfs/dbraw/zinc/91/82/25/1069918225.db2.gz DCELDOWAHCKLFC-UHFFFAOYSA-N 0 0 454.508 0.181 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1 ZINC000746276244 1069918116 /nfs/dbraw/zinc/91/81/16/1069918116.db2.gz WTJWMYNMFUYUDG-UHFFFAOYSA-N 0 0 458.540 0.639 20 30 JCEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000746391464 1069921021 /nfs/dbraw/zinc/92/10/21/1069921021.db2.gz GIHYLMSARSSGKK-AWEZNQCLSA-N 0 0 477.616 0.919 20 30 JCEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000746391466 1069920901 /nfs/dbraw/zinc/92/09/01/1069920901.db2.gz GIHYLMSARSSGKK-CQSZACIVSA-N 0 0 477.616 0.919 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000746482483 1069933336 /nfs/dbraw/zinc/93/33/36/1069933336.db2.gz AEPWNHVRUYMUQN-UHFFFAOYSA-N 0 0 485.562 0.507 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(SC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000746483136 1069933371 /nfs/dbraw/zinc/93/33/71/1069933371.db2.gz GUPTVZOOTSEONH-UHFFFAOYSA-N 0 0 475.592 0.649 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000746483641 1069933609 /nfs/dbraw/zinc/93/36/09/1069933609.db2.gz KPCVPGLEPPABHQ-UHFFFAOYSA-N 0 0 499.589 0.850 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000746483698 1070031784 /nfs/dbraw/zinc/03/17/84/1070031784.db2.gz KYNMSZBMTQIWSN-UHFFFAOYSA-N 0 0 487.578 0.753 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CC(=O)N(C)C ZINC000746483753 1069933492 /nfs/dbraw/zinc/93/34/92/1069933492.db2.gz LFXKZWAACDJRNC-UHFFFAOYSA-N 0 0 472.592 0.534 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CCOC ZINC000746483782 1069933453 /nfs/dbraw/zinc/93/34/53/1069933453.db2.gz MRTLGDUJHSRSBH-UHFFFAOYSA-N 0 0 463.581 0.552 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1C ZINC000746484008 1069933628 /nfs/dbraw/zinc/93/36/28/1069933628.db2.gz QIVZEUFUASUUDX-UHFFFAOYSA-N 0 0 454.508 0.193 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(SC)c(OC)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000746484343 1069979095 /nfs/dbraw/zinc/97/90/95/1069979095.db2.gz WVUNXSGHJWPYLG-AWEZNQCLSA-N 0 0 477.608 0.941 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(SC)c(OC)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000746484344 1069977807 /nfs/dbraw/zinc/97/78/07/1069977807.db2.gz WVUNXSGHJWPYLG-CQSZACIVSA-N 0 0 477.608 0.941 20 30 JCEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1C ZINC000746484398 1069986231 /nfs/dbraw/zinc/98/62/31/1069986231.db2.gz XMJZIVCEHOPEMW-UHFFFAOYSA-N 0 0 482.562 0.437 20 30 JCEDRN O=c1c(C=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)nc2ccccn12 ZINC000746491378 1070009221 /nfs/dbraw/zinc/00/92/21/1070009221.db2.gz CJGAGSQQGNJZQC-UHFFFAOYSA-N 0 0 472.483 0.893 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)CC1 ZINC000746508363 1070033591 /nfs/dbraw/zinc/03/35/91/1070033591.db2.gz ZALLJVXRMQMEQF-UHFFFAOYSA-N 0 0 459.590 0.109 20 30 JCEDRN C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000746508704 1070034481 /nfs/dbraw/zinc/03/44/81/1070034481.db2.gz WGZFHOWUIBUIDF-HNNXBMFYSA-N 0 0 451.588 0.864 20 30 JCEDRN C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000746508705 1070034405 /nfs/dbraw/zinc/03/44/05/1070034405.db2.gz WGZFHOWUIBUIDF-OAHLLOKOSA-N 0 0 451.588 0.864 20 30 JCEDRN COc1ccc(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000746533395 1070037101 /nfs/dbraw/zinc/03/71/01/1070037101.db2.gz LCDASTZYUPYHNE-UHFFFAOYSA-N 0 0 487.534 0.990 20 30 JCEDRN COc1ccc(CC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000746534419 1070038014 /nfs/dbraw/zinc/03/80/14/1070038014.db2.gz RPYQBOXWRSOHBA-UHFFFAOYSA-N 0 0 487.534 0.990 20 30 JCEDRN N#Cc1cccc(CNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 ZINC000746541538 1070038459 /nfs/dbraw/zinc/03/84/59/1070038459.db2.gz DWOGZPQXRPEJDC-UHFFFAOYSA-N 0 0 458.496 0.515 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000746541885 1070038494 /nfs/dbraw/zinc/03/84/94/1070038494.db2.gz DIJIFJYKNOIOKF-UHFFFAOYSA-N 0 0 458.496 0.997 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC(=O)NCc2cccc(C#N)c2)c1 ZINC000746542249 1070038064 /nfs/dbraw/zinc/03/80/64/1070038064.db2.gz NBBMWOCPYVIYAQ-UHFFFAOYSA-N 0 0 460.512 0.686 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000746542258 1070038735 /nfs/dbraw/zinc/03/87/35/1070038735.db2.gz NFXOLPXOKGLCET-UHFFFAOYSA-N 0 0 460.512 0.686 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3cccc(C#N)c3)c2)CC1 ZINC000746542405 1070037529 /nfs/dbraw/zinc/03/75/29/1070037529.db2.gz PEWLZOHWSJFTRQ-UHFFFAOYSA-N 0 0 484.534 0.884 20 30 JCEDRN N#Cc1ccc(CNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 ZINC000746542713 1070038769 /nfs/dbraw/zinc/03/87/69/1070038769.db2.gz RSVZFIJJROFBOX-UHFFFAOYSA-N 0 0 458.496 0.515 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)c2)CC1 ZINC000746543059 1070038434 /nfs/dbraw/zinc/03/84/34/1070038434.db2.gz ZYUCEQJGFKTBOL-UHFFFAOYSA-N 0 0 484.534 0.884 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000746543340 1070038758 /nfs/dbraw/zinc/03/87/58/1070038758.db2.gz SHHKPBPWPYZZRO-UHFFFAOYSA-N 0 0 458.496 0.997 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)cc2)CC1 ZINC000746548337 1070038619 /nfs/dbraw/zinc/03/86/19/1070038619.db2.gz MISGAJMSECTBCC-UHFFFAOYSA-N 0 0 484.534 0.884 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3cccc(C#N)c3)cc2)CC1 ZINC000746549234 1070038665 /nfs/dbraw/zinc/03/86/65/1070038665.db2.gz QMIDFSJGODTXQH-UHFFFAOYSA-N 0 0 484.534 0.884 20 30 JCEDRN N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000746552492 1070039991 /nfs/dbraw/zinc/03/99/91/1070039991.db2.gz KILPJOBQMSBNEO-UHFFFAOYSA-N 0 0 470.507 0.823 20 30 JCEDRN N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000746553601 1070040021 /nfs/dbraw/zinc/04/00/21/1070040021.db2.gz FBHYGTAGQJKEPK-UHFFFAOYSA-N 0 0 459.480 0.857 20 30 JCEDRN N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000746553876 1070040076 /nfs/dbraw/zinc/04/00/76/1070040076.db2.gz YNLWLNNODWOYDY-UHFFFAOYSA-N 0 0 470.507 0.823 20 30 JCEDRN N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000746553944 1070039239 /nfs/dbraw/zinc/03/92/39/1070039239.db2.gz HYEHRLFQNFUCIY-UHFFFAOYSA-N 0 0 459.480 0.857 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCc2cccc(C#N)c2)c1 ZINC000746554553 1070039919 /nfs/dbraw/zinc/03/99/19/1070039919.db2.gz HANWTQUQZJMJFO-UHFFFAOYSA-N 0 0 460.512 0.610 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000746554671 1070040011 /nfs/dbraw/zinc/04/00/11/1070040011.db2.gz IVLIHONZFWTCPD-UHFFFAOYSA-N 0 0 460.512 0.610 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000746555936 1070040378 /nfs/dbraw/zinc/04/03/78/1070040378.db2.gz SLRJOULPVLPBCR-UHFFFAOYSA-N 0 0 458.496 0.398 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCc2cccc(C#N)c2)c1 ZINC000746556074 1070039903 /nfs/dbraw/zinc/03/99/03/1070039903.db2.gz VHLSMBZYWUKMRZ-UHFFFAOYSA-N 0 0 458.496 0.398 20 30 JCEDRN N#Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000746565708 1070041286 /nfs/dbraw/zinc/04/12/86/1070041286.db2.gz PHVSUYVIVUKMPB-UHFFFAOYSA-N 0 0 456.480 0.152 20 30 JCEDRN N#Cc1cccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000746566865 1070041267 /nfs/dbraw/zinc/04/12/67/1070041267.db2.gz PGEFHOXRKDLXEQ-UHFFFAOYSA-N 0 0 456.480 0.152 20 30 JCEDRN N#Cc1cccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 ZINC000746567589 1070041442 /nfs/dbraw/zinc/04/14/42/1070041442.db2.gz WLUDRXMIFGPYGT-UHFFFAOYSA-N 0 0 456.480 0.152 20 30 JCEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000746567850 1070041350 /nfs/dbraw/zinc/04/13/50/1070041350.db2.gz MGMHBZZUCUSGNY-HNNXBMFYSA-N 0 0 472.523 0.786 20 30 JCEDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000746567856 1070041492 /nfs/dbraw/zinc/04/14/92/1070041492.db2.gz MGMHBZZUCUSGNY-OAHLLOKOSA-N 0 0 472.523 0.786 20 30 JCEDRN N#Cc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000746568433 1070041128 /nfs/dbraw/zinc/04/11/28/1070041128.db2.gz XZTMHWGJPIUAOD-UHFFFAOYSA-N 0 0 456.480 0.152 20 30 JCEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCc1cccc(C#N)c1 ZINC000746569779 1070042443 /nfs/dbraw/zinc/04/24/43/1070042443.db2.gz XGBPCXAGZYUTLB-HNNXBMFYSA-N 0 0 472.523 0.786 20 30 JCEDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCc1cccc(C#N)c1 ZINC000746569781 1070042461 /nfs/dbraw/zinc/04/24/61/1070042461.db2.gz XGBPCXAGZYUTLB-OAHLLOKOSA-N 0 0 472.523 0.786 20 30 JCEDRN COCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3cccc(C#N)c3)cc2S1(=O)=O ZINC000746580068 1070043133 /nfs/dbraw/zinc/04/31/33/1070043133.db2.gz LAUAAUAAKPVXLK-UHFFFAOYSA-N 0 0 457.464 0.822 20 30 JCEDRN COCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)cc2S1(=O)=O ZINC000746581072 1070043322 /nfs/dbraw/zinc/04/33/22/1070043322.db2.gz XNECAEIIULXNBF-UHFFFAOYSA-N 0 0 457.464 0.822 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000746596358 1070045023 /nfs/dbraw/zinc/04/50/23/1070045023.db2.gz NIYIYQSWFRETRV-UHFFFAOYSA-N 0 0 476.471 0.129 20 30 JCEDRN Cc1cc(S(N)(=O)=O)sc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000746618895 1070046980 /nfs/dbraw/zinc/04/69/80/1070046980.db2.gz JKKKCKAPTPGHMB-UHFFFAOYSA-N 0 0 453.502 0.378 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCOc3ccc(S(C)(=O)=O)cc3)CC2)o1 ZINC000746643921 1070049656 /nfs/dbraw/zinc/04/96/56/1070049656.db2.gz KMSKTWWEWOCJAU-UHFFFAOYSA-N 0 0 476.511 0.919 20 30 JCEDRN COc1cccc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1OC ZINC000746784132 1070061966 /nfs/dbraw/zinc/06/19/66/1070061966.db2.gz DFFJFRNKZPVGRU-UHFFFAOYSA-N 0 0 472.523 0.727 20 30 JCEDRN NC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(Br)c1 ZINC000746807931 1070062431 /nfs/dbraw/zinc/06/24/31/1070062431.db2.gz FVQZIOPWUCPDLE-HNNXBMFYSA-N 0 0 451.302 0.830 20 30 JCEDRN NC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(Br)c1 ZINC000746807934 1070062799 /nfs/dbraw/zinc/06/27/99/1070062799.db2.gz FVQZIOPWUCPDLE-OAHLLOKOSA-N 0 0 451.302 0.830 20 30 JCEDRN N#Cc1cnn(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1N ZINC000746888917 1070066247 /nfs/dbraw/zinc/06/62/47/1070066247.db2.gz MKWSUXPANHINDJ-UHFFFAOYSA-N 0 0 450.908 0.944 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)n1ncc(C#N)c1N ZINC000746889098 1070066272 /nfs/dbraw/zinc/06/62/72/1070066272.db2.gz ODHFDPYQVCKOQI-UHFFFAOYSA-N 0 0 494.555 0.379 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)cc1 ZINC000747006569 1070070193 /nfs/dbraw/zinc/07/01/93/1070070193.db2.gz GPDHROGQTAATKO-NHFJDJAPSA-N 0 0 485.566 0.913 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)cc1 ZINC000747006570 1070070439 /nfs/dbraw/zinc/07/04/39/1070070439.db2.gz GPDHROGQTAATKO-OOAXWGSJSA-N 0 0 485.566 0.913 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)c1 ZINC000747007015 1070070661 /nfs/dbraw/zinc/07/06/61/1070070661.db2.gz OKXBDBGCDRVMSS-NHFJDJAPSA-N 0 0 485.566 0.913 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)c1 ZINC000747007017 1070070963 /nfs/dbraw/zinc/07/09/63/1070070963.db2.gz OKXBDBGCDRVMSS-OOAXWGSJSA-N 0 0 485.566 0.913 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)cc2)CC1 ZINC000747022223 1070071304 /nfs/dbraw/zinc/07/13/04/1070071304.db2.gz XEBBDVHOGUCCTQ-GOSISDBHSA-N 0 0 455.496 0.896 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cc2)CC1 ZINC000747022229 1070071531 /nfs/dbraw/zinc/07/15/31/1070071531.db2.gz XEBBDVHOGUCCTQ-SFHVURJKSA-N 0 0 455.496 0.896 20 30 JCEDRN C#CCN1C(=O)C(=NNC(=S)NCCN2CCOCC2)c2cc(Br)ccc21 ZINC000747043067 1070071834 /nfs/dbraw/zinc/07/18/34/1070071834.db2.gz ZSOIRWLIXFTZED-UHFFFAOYSA-N 0 0 450.362 0.929 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000747076241 1070077428 /nfs/dbraw/zinc/07/74/28/1070077428.db2.gz NRSQVLZTWPGNLT-UHFFFAOYSA-N 0 0 462.478 0.405 20 30 JCEDRN C=C(C)COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)ccc1OC ZINC000747079506 1070078529 /nfs/dbraw/zinc/07/85/29/1070078529.db2.gz DHWOJPVQDHGCSZ-UHFFFAOYSA-N 0 0 499.589 0.882 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000747079530 1070078373 /nfs/dbraw/zinc/07/83/73/1070078373.db2.gz GCJZVFOGJFARBN-UHFFFAOYSA-N 0 0 465.478 0.519 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC(F)F)c3)c(=O)n2CCOC)CC1 ZINC000747080161 1070078812 /nfs/dbraw/zinc/07/88/12/1070078812.db2.gz KJYQZQIMTADPFD-UHFFFAOYSA-N 0 0 492.548 0.825 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCOC ZINC000747081246 1070080028 /nfs/dbraw/zinc/08/00/28/1070080028.db2.gz XNVTXDJGEYXHEZ-UHFFFAOYSA-N 0 0 453.467 0.423 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000747081269 1070080045 /nfs/dbraw/zinc/08/00/45/1070080045.db2.gz YWHNLKNMHMOAOY-CYBMUJFWSA-N 0 0 467.494 0.812 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(OC(F)F)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000747081270 1070080076 /nfs/dbraw/zinc/08/00/76/1070080076.db2.gz YWHNLKNMHMOAOY-ZDUSSCGKSA-N 0 0 467.494 0.812 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000747200787 1070113007 /nfs/dbraw/zinc/11/30/07/1070113007.db2.gz JVVPVFZYHRNVEI-UHFFFAOYSA-N 0 0 476.580 0.942 20 30 JCEDRN Cn1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C1CC1 ZINC000747251113 1070131169 /nfs/dbraw/zinc/13/11/69/1070131169.db2.gz DLEQBUCLESTGEA-UHFFFAOYSA-N 0 0 457.512 0.859 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(F)ccc(S(N)(=O)=O)c3F)CC2)o1 ZINC000747271075 1070136661 /nfs/dbraw/zinc/13/66/61/1070136661.db2.gz VXJBMXYOSXFHFB-UHFFFAOYSA-N 0 0 469.426 0.286 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CSc3ccc(S(N)(=O)=O)cc3)CC2)o1 ZINC000747284370 1070142211 /nfs/dbraw/zinc/14/22/11/1070142211.db2.gz JPPUJSNGVOCJKH-UHFFFAOYSA-N 0 0 479.540 0.486 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000747316148 1070148996 /nfs/dbraw/zinc/14/89/96/1070148996.db2.gz GNYYJLWIARCNPN-NKFKGCMQSA-N 0 0 499.615 0.370 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000747316150 1070149069 /nfs/dbraw/zinc/14/90/69/1070149069.db2.gz GNYYJLWIARCNPN-PTGBLXJZSA-N 0 0 499.615 0.370 20 30 JCEDRN Cn1cc(/C=C2/CN(c3ccccc3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000747317576 1070151635 /nfs/dbraw/zinc/15/16/35/1070151635.db2.gz YLUYXDWHOLXYER-APGQMXJTSA-N 0 0 475.505 0.038 20 30 JCEDRN Cn1cc(/C=C2\CN(c3ccccc3)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000747317578 1070151602 /nfs/dbraw/zinc/15/16/02/1070151602.db2.gz YLUYXDWHOLXYER-OTYYAQKOSA-N 0 0 475.505 0.038 20 30 JCEDRN Cn1cc(/C=C2\CN(c3ccccc3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000747317582 1070151540 /nfs/dbraw/zinc/15/15/40/1070151540.db2.gz YLUYXDWHOLXYER-VRNBXGKJSA-N 0 0 475.505 0.038 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)cc1 ZINC000747317736 1070151609 /nfs/dbraw/zinc/15/16/09/1070151609.db2.gz WNIMVLAXNRCACS-HAVVHWLPSA-N 0 0 457.503 0.847 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)cc1 ZINC000747317737 1070151631 /nfs/dbraw/zinc/15/16/31/1070151631.db2.gz WNIMVLAXNRCACS-QJOMJCCJSA-N 0 0 457.503 0.847 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)c1 ZINC000747317801 1070151642 /nfs/dbraw/zinc/15/16/42/1070151642.db2.gz ZUPJMFGCOLBARK-HAVVHWLPSA-N 0 0 457.503 0.847 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)c1 ZINC000747317802 1070151637 /nfs/dbraw/zinc/15/16/37/1070151637.db2.gz ZUPJMFGCOLBARK-QJOMJCCJSA-N 0 0 457.503 0.847 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1=O ZINC000747366333 1070159719 /nfs/dbraw/zinc/15/97/19/1070159719.db2.gz YFMVCCLBXDYXSN-CALCHBBNSA-N 0 0 455.515 0.796 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1=O ZINC000747366336 1070159750 /nfs/dbraw/zinc/15/97/50/1070159750.db2.gz YFMVCCLBXDYXSN-IAGOWNOFSA-N 0 0 455.515 0.796 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1=O ZINC000747366341 1070159756 /nfs/dbraw/zinc/15/97/56/1070159756.db2.gz YFMVCCLBXDYXSN-IRXDYDNUSA-N 0 0 455.515 0.796 20 30 JCEDRN N#CCn1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cn1 ZINC000747434408 1070171058 /nfs/dbraw/zinc/17/10/58/1070171058.db2.gz UKONLVDLRYYLSX-UHFFFAOYSA-N 0 0 460.516 0.516 20 30 JCEDRN COCCn1cnc2c1c(=O)n(CC(=O)Nc1cnn(CC#N)c1)c(=O)n2Cc1ccccc1 ZINC000747434414 1070171313 /nfs/dbraw/zinc/17/13/13/1070171313.db2.gz VQFXKBMANZEBRM-UHFFFAOYSA-N 0 0 462.470 0.413 20 30 JCEDRN Cn1c(CCC(=O)Nc2cnn(CC#N)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000747434817 1070171108 /nfs/dbraw/zinc/17/11/08/1070171108.db2.gz UZPFIURBRBVKAJ-UHFFFAOYSA-N 0 0 457.516 0.886 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000747440246 1070171197 /nfs/dbraw/zinc/17/11/97/1070171197.db2.gz AIESANDMTHRFDY-AWEZNQCLSA-N 0 0 454.599 0.592 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000747440249 1070171183 /nfs/dbraw/zinc/17/11/83/1070171183.db2.gz AIESANDMTHRFDY-CQSZACIVSA-N 0 0 454.599 0.592 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000747440426 1070171272 /nfs/dbraw/zinc/17/12/72/1070171272.db2.gz CPTWTYCORPDDGE-HNNXBMFYSA-N 0 0 468.626 0.982 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000747440436 1070171211 /nfs/dbraw/zinc/17/12/11/1070171211.db2.gz CPTWTYCORPDDGE-OAHLLOKOSA-N 0 0 468.626 0.982 20 30 JCEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000747555849 1070190561 /nfs/dbraw/zinc/19/05/61/1070190561.db2.gz FGVMBNXNWYTGBA-UHFFFAOYSA-N 0 0 453.480 0.799 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)CCO)cc3)CC2)o1 ZINC000747575934 1070198293 /nfs/dbraw/zinc/19/82/93/1070198293.db2.gz MDOHCGQZUOKGHZ-UHFFFAOYSA-N 0 0 462.484 0.126 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000747588860 1070202389 /nfs/dbraw/zinc/20/23/89/1070202389.db2.gz UDVBFONXOBJOQV-UHFFFAOYSA-N 0 0 477.568 0.300 20 30 JCEDRN C#CCNC(=O)C1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000747618139 1070204989 /nfs/dbraw/zinc/20/49/89/1070204989.db2.gz SWOGVKNBIJLLIW-UHFFFAOYSA-N 0 0 450.586 0.866 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000747773694 1070223541 /nfs/dbraw/zinc/22/35/41/1070223541.db2.gz CKNIIFFNVQFSDI-UHFFFAOYSA-N 0 0 481.490 0.897 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccccc2)CC1 ZINC000747801595 1070229390 /nfs/dbraw/zinc/22/93/90/1070229390.db2.gz XFYIODQXEJGJDP-UHFFFAOYSA-N 0 0 470.507 0.364 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000747803335 1070230008 /nfs/dbraw/zinc/23/00/08/1070230008.db2.gz FTYFMIXCPVZAGU-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN C#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000747809283 1070229787 /nfs/dbraw/zinc/22/97/87/1070229787.db2.gz XPARYOMQQNFGAJ-UHFFFAOYSA-N 0 0 479.559 0.171 20 30 JCEDRN C#CCNC(=O)C1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)CC1 ZINC000747823077 1070233139 /nfs/dbraw/zinc/23/31/39/1070233139.db2.gz JIKVRYRDEHOJGQ-UHFFFAOYSA-N 0 0 460.512 0.448 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000747900787 1070250024 /nfs/dbraw/zinc/25/00/24/1070250024.db2.gz CLIORVWIBUONNL-UHFFFAOYSA-N 0 0 496.501 0.231 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccccc2C=O)CC1 ZINC000747901200 1070250259 /nfs/dbraw/zinc/25/02/59/1070250259.db2.gz ZMNJUFWGADVYPU-UHFFFAOYSA-N 0 0 471.491 0.826 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000747901238 1070250100 /nfs/dbraw/zinc/25/01/00/1070250100.db2.gz SAVXHDFVMUFOKW-UHFFFAOYSA-N 0 0 457.464 0.977 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc2)CC1 ZINC000747906536 1070250646 /nfs/dbraw/zinc/25/06/46/1070250646.db2.gz SMLZJZUBHYPTDP-UHFFFAOYSA-N 0 0 450.517 0.457 20 30 JCEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)c1 ZINC000747991591 1070273714 /nfs/dbraw/zinc/27/37/14/1070273714.db2.gz JRJJXFCYQAXIBB-UHFFFAOYSA-N 0 0 452.533 0.751 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cncn3)cc2)CC1 ZINC000747997314 1070277213 /nfs/dbraw/zinc/27/72/13/1070277213.db2.gz ZJZASAJEXYYEFB-UHFFFAOYSA-N 0 0 480.506 0.829 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc([C@H]3C[C@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000748043482 1070280357 /nfs/dbraw/zinc/28/03/57/1070280357.db2.gz WIQNPUATFGDBSI-AEFFLSMTSA-N 0 0 486.594 0.224 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc([C@@H]3C[C@@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000748043490 1070280049 /nfs/dbraw/zinc/28/00/49/1070280049.db2.gz WIQNPUATFGDBSI-FUHWJXTLSA-N 0 0 486.594 0.224 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc([C@@H]3C[C@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000748043492 1070279978 /nfs/dbraw/zinc/27/99/78/1070279978.db2.gz WIQNPUATFGDBSI-SJLPKXTDSA-N 0 0 486.594 0.224 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc([C@H]3C[C@@H]3C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000748043494 1070280064 /nfs/dbraw/zinc/28/00/64/1070280064.db2.gz WIQNPUATFGDBSI-WMZOPIPTSA-N 0 0 486.594 0.224 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([C@H]4C[C@H]4C)o3)c(=O)n2CCOC)CC1 ZINC000748043554 1070280373 /nfs/dbraw/zinc/28/03/73/1070280373.db2.gz YCDDKMWSAVEARB-AEFFLSMTSA-N 0 0 470.595 0.940 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([C@@H]4C[C@@H]4C)o3)c(=O)n2CCOC)CC1 ZINC000748043555 1070280102 /nfs/dbraw/zinc/28/01/02/1070280102.db2.gz YCDDKMWSAVEARB-FUHWJXTLSA-N 0 0 470.595 0.940 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([C@@H]4C[C@H]4C)o3)c(=O)n2CCOC)CC1 ZINC000748043556 1070280333 /nfs/dbraw/zinc/28/03/33/1070280333.db2.gz YCDDKMWSAVEARB-SJLPKXTDSA-N 0 0 470.595 0.940 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([C@H]4C[C@@H]4C)o3)c(=O)n2CCOC)CC1 ZINC000748043557 1070280141 /nfs/dbraw/zinc/28/01/41/1070280141.db2.gz YCDDKMWSAVEARB-WMZOPIPTSA-N 0 0 470.595 0.940 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748046155 1070280761 /nfs/dbraw/zinc/28/07/61/1070280761.db2.gz HIXYLTVTBRGWKP-UHFFFAOYSA-N 0 0 476.349 0.876 20 30 JCEDRN CCS(=O)(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000748055511 1067644045 /nfs/dbraw/zinc/64/40/45/1067644045.db2.gz BWAMLZWUGMMIBH-UHFFFAOYSA-N 0 0 456.590 0.779 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000748055616 1067644528 /nfs/dbraw/zinc/64/45/28/1067644528.db2.gz PVWOQCYRXBJPDI-INIZCTEOSA-N 0 0 456.590 0.778 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000748055618 1067644446 /nfs/dbraw/zinc/64/44/46/1067644446.db2.gz PVWOQCYRXBJPDI-MRXNPFEDSA-N 0 0 456.590 0.778 20 30 JCEDRN CCS(=O)(=O)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000748056398 1067644423 /nfs/dbraw/zinc/64/44/23/1067644423.db2.gz GMIQAEWHXAOURM-INIZCTEOSA-N 0 0 456.590 0.634 20 30 JCEDRN CCS(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000748056399 1067644565 /nfs/dbraw/zinc/64/45/65/1067644565.db2.gz GMIQAEWHXAOURM-MRXNPFEDSA-N 0 0 456.590 0.634 20 30 JCEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCS(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000748061131 1067646346 /nfs/dbraw/zinc/64/63/46/1067646346.db2.gz MLUJCKXVKVMIQN-UHFFFAOYSA-N 0 0 492.514 0.772 20 30 JCEDRN N#CCCn1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000748061141 1067646334 /nfs/dbraw/zinc/64/63/34/1067646334.db2.gz NWOWGYMJPAFBIY-UHFFFAOYSA-N 0 0 462.488 0.764 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)C2CCC2)c1 ZINC000748063980 1067647460 /nfs/dbraw/zinc/64/74/60/1067647460.db2.gz HLSKTWVUWOBXKS-UHFFFAOYSA-N 0 0 497.602 0.755 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCN2CCOCC2)c1=O ZINC000748064584 1067647444 /nfs/dbraw/zinc/64/74/44/1067647444.db2.gz VHGWIZMCZZESJX-UHFFFAOYSA-N 0 0 455.584 0.465 20 30 JCEDRN N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCN1CCOCC1 ZINC000748064586 1067647520 /nfs/dbraw/zinc/64/75/20/1067647520.db2.gz VNQMURLINSGIIH-UHFFFAOYSA-N 0 0 490.589 0.695 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1=O ZINC000748077898 1067675432 /nfs/dbraw/zinc/67/54/32/1067675432.db2.gz DTXHKTCSONHWTL-UHFFFAOYSA-N 0 0 463.897 0.752 20 30 JCEDRN CCS(=O)(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000748084033 1067683455 /nfs/dbraw/zinc/68/34/55/1067683455.db2.gz HJJXHEXEIDAOMJ-UHFFFAOYSA-N 0 0 462.532 0.422 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000748104317 1067710325 /nfs/dbraw/zinc/71/03/25/1067710325.db2.gz AGQPPLXQMJUKQM-FXBPSFAMSA-N 0 0 473.577 0.283 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000748104318 1067710689 /nfs/dbraw/zinc/71/06/89/1067710689.db2.gz AGQPPLXQMJUKQM-HEHNFIMWSA-N 0 0 473.577 0.283 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000748104432 1067710381 /nfs/dbraw/zinc/71/03/81/1067710381.db2.gz JMCCHUUUMQTQFY-FXBPSFAMSA-N 0 0 473.577 0.283 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000748104434 1067710291 /nfs/dbraw/zinc/71/02/91/1067710291.db2.gz JMCCHUUUMQTQFY-HEHNFIMWSA-N 0 0 473.577 0.283 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748107887 1067715219 /nfs/dbraw/zinc/71/52/19/1067715219.db2.gz NYEGORWBEABDGL-UHFFFAOYSA-N 0 0 461.548 0.220 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000748107985 1067716442 /nfs/dbraw/zinc/71/64/42/1067716442.db2.gz QDYGJPFMRHWTTR-UHFFFAOYSA-N 0 0 464.504 0.300 20 30 JCEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748108250 1067716399 /nfs/dbraw/zinc/71/63/99/1067716399.db2.gz WAVAXVUBSWJXNQ-UHFFFAOYSA-N 0 0 479.538 0.359 20 30 JCEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cn2)cc1 ZINC000748113663 1067720308 /nfs/dbraw/zinc/72/03/08/1067720308.db2.gz AGTFEVDRUAUGAS-UHFFFAOYSA-N 0 0 459.484 0.462 20 30 JCEDRN N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)c2)c1 ZINC000748113925 1067719371 /nfs/dbraw/zinc/71/93/71/1067719371.db2.gz NKSLMIVMZDHNTL-UHFFFAOYSA-N 0 0 472.523 0.854 20 30 JCEDRN N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000748114006 1067723438 /nfs/dbraw/zinc/72/34/38/1067723438.db2.gz APXQRNDHVRTWQS-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000748114011 1067723469 /nfs/dbraw/zinc/72/34/69/1067723469.db2.gz ASQGEWLIHMKYBR-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000748114020 1067723431 /nfs/dbraw/zinc/72/34/31/1067723431.db2.gz PLEMXQCCRRMUBO-UHFFFAOYSA-N 0 0 464.544 0.218 20 30 JCEDRN N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748114119 1067723774 /nfs/dbraw/zinc/72/37/74/1067723774.db2.gz MPQCTODSCPJEPP-UHFFFAOYSA-N 0 0 459.484 0.462 20 30 JCEDRN N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000748114146 1067723030 /nfs/dbraw/zinc/72/30/30/1067723030.db2.gz FIDWYSTZGREESG-UHFFFAOYSA-N 0 0 468.491 0.885 20 30 JCEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cn2)c1 ZINC000748114601 1067721555 /nfs/dbraw/zinc/72/15/55/1067721555.db2.gz WEGQIDOARVLHPV-UHFFFAOYSA-N 0 0 459.484 0.462 20 30 JCEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)c2)c1 ZINC000748114613 1067721826 /nfs/dbraw/zinc/72/18/26/1067721826.db2.gz WNIRFZSVNLUUNY-UHFFFAOYSA-N 0 0 499.545 0.590 20 30 JCEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748114620 1067721931 /nfs/dbraw/zinc/72/19/31/1067721931.db2.gz WSIUZFNBIWHVIR-UHFFFAOYSA-N 0 0 473.511 0.771 20 30 JCEDRN Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000748123520 1067733880 /nfs/dbraw/zinc/73/38/80/1067733880.db2.gz OGNMUUUXWZUNMW-UHFFFAOYSA-N 0 0 498.561 0.981 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000748125455 1067737129 /nfs/dbraw/zinc/73/71/29/1067737129.db2.gz GMKQAYXAFHUUAF-ALKREAHSSA-N 0 0 455.920 0.816 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000748125456 1067737126 /nfs/dbraw/zinc/73/71/26/1067737126.db2.gz GMKQAYXAFHUUAF-QOKNQOGYSA-N 0 0 455.920 0.816 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000748125457 1067737085 /nfs/dbraw/zinc/73/70/85/1067737085.db2.gz GMKQAYXAFHUUAF-SIXWZSSISA-N 0 0 455.920 0.816 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000748125458 1067737132 /nfs/dbraw/zinc/73/71/32/1067737132.db2.gz GMKQAYXAFHUUAF-URLQWDBASA-N 0 0 455.920 0.816 20 30 JCEDRN N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000748134308 1067742558 /nfs/dbraw/zinc/74/25/58/1067742558.db2.gz ORFDPILFKWCGIZ-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000748134454 1067742441 /nfs/dbraw/zinc/74/24/41/1067742441.db2.gz RJXCLCAKZHUYMU-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)C2CCCCC2)CC1 ZINC000748156673 1067748140 /nfs/dbraw/zinc/74/81/40/1067748140.db2.gz HANQSLMWDNIZDF-UHFFFAOYSA-N 0 0 476.555 0.631 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(C(F)(F)F)n2N)CC1 ZINC000748172019 1070787214 /nfs/dbraw/zinc/78/72/14/1070787214.db2.gz NACYYUNQAHNTKY-UHFFFAOYSA-N 0 0 475.478 0.508 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cn3ccccc3n2)CC1 ZINC000748172282 1070787106 /nfs/dbraw/zinc/78/71/06/1070787106.db2.gz RBUINVJIMPLCOU-UHFFFAOYSA-N 0 0 453.480 0.896 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1 ZINC000748174797 1070787672 /nfs/dbraw/zinc/78/76/72/1070787672.db2.gz COBIFZOZCUYRJN-UHFFFAOYSA-N 0 0 452.533 0.751 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000748174952 1070787807 /nfs/dbraw/zinc/78/78/07/1070787807.db2.gz IVOIVTWNBXEGOM-UHFFFAOYSA-N 0 0 488.497 0.503 20 30 JCEDRN Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2n1 ZINC000748175066 1070787247 /nfs/dbraw/zinc/78/72/47/1070787247.db2.gz NDRPWKWXBXZVIN-UHFFFAOYSA-N 0 0 483.510 0.303 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000748181249 1070787864 /nfs/dbraw/zinc/78/78/64/1070787864.db2.gz NHOOGNNNFMICMU-UHFFFAOYSA-N 0 0 488.497 0.503 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccs2)CC1 ZINC000748181357 1070787612 /nfs/dbraw/zinc/78/76/12/1070787612.db2.gz QYZUTRKVURGXTQ-UHFFFAOYSA-N 0 0 476.536 0.426 20 30 JCEDRN Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C ZINC000748212506 1070788440 /nfs/dbraw/zinc/78/84/40/1070788440.db2.gz NXZZVQFBJFITEZ-UHFFFAOYSA-N 0 0 498.561 0.981 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000748241420 1070790078 /nfs/dbraw/zinc/79/00/78/1070790078.db2.gz DMQSWVZIDKAWMU-UHFFFAOYSA-N 0 0 469.567 0.970 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000748241470 1070790425 /nfs/dbraw/zinc/79/04/25/1070790425.db2.gz HBGVXNVWYOORRO-UHFFFAOYSA-N 0 0 484.582 0.755 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000748243143 1070789456 /nfs/dbraw/zinc/78/94/56/1070789456.db2.gz ZNCSBWRBVLCFFF-UHFFFAOYSA-N 0 0 470.555 0.365 20 30 JCEDRN CCOC(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000748308121 1070791843 /nfs/dbraw/zinc/79/18/43/1070791843.db2.gz SMDJCADUOJEVDQ-UHFFFAOYSA-N 0 0 463.560 0.555 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(O)c1 ZINC000748343297 1070792637 /nfs/dbraw/zinc/79/26/37/1070792637.db2.gz CFHNNUXCAYDBNG-UHFFFAOYSA-N 0 0 459.480 0.962 20 30 JCEDRN NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000748343373 1070792399 /nfs/dbraw/zinc/79/23/99/1070792399.db2.gz GAOSSOKBXPGCHR-INIZCTEOSA-N 0 0 464.544 0.695 20 30 JCEDRN NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000748343374 1070792418 /nfs/dbraw/zinc/79/24/18/1070792418.db2.gz GAOSSOKBXPGCHR-MRXNPFEDSA-N 0 0 464.544 0.695 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000748344563 1070792809 /nfs/dbraw/zinc/79/28/09/1070792809.db2.gz VTOWCGMIMYLYHC-UHFFFAOYSA-N 0 0 495.517 0.344 20 30 JCEDRN Cn1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2c1=O ZINC000748358627 1070792517 /nfs/dbraw/zinc/79/25/17/1070792517.db2.gz VSLBTAWAUBSZQQ-UHFFFAOYSA-N 0 0 495.517 0.495 20 30 JCEDRN CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000748407338 1070797254 /nfs/dbraw/zinc/79/72/54/1070797254.db2.gz CRYUDHQJMZGMDB-INIZCTEOSA-N 0 0 456.542 0.956 20 30 JCEDRN CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000748407339 1070797270 /nfs/dbraw/zinc/79/72/70/1070797270.db2.gz CRYUDHQJMZGMDB-MRXNPFEDSA-N 0 0 456.542 0.956 20 30 JCEDRN Cn1c2ncn(CCOC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2c(=O)n(C)c1=O ZINC000748408116 1070797091 /nfs/dbraw/zinc/79/70/91/1070797091.db2.gz ITRWOAALMSRBCY-UHFFFAOYSA-N 0 0 459.484 0.368 20 30 JCEDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 ZINC000748408935 1070796932 /nfs/dbraw/zinc/79/69/32/1070796932.db2.gz ALRSWVRYTKNROR-UHFFFAOYSA-N 0 0 464.544 0.153 20 30 JCEDRN Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c(=O)n2C ZINC000748409620 1070797213 /nfs/dbraw/zinc/79/72/13/1070797213.db2.gz FYPUMGZJPADGIN-UHFFFAOYSA-N 0 0 473.511 0.758 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000748410288 1070797237 /nfs/dbraw/zinc/79/72/37/1070797237.db2.gz SOJDIBSYLMTEPV-GDBMZVCRSA-N 0 0 456.542 0.955 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000748410289 1070796956 /nfs/dbraw/zinc/79/69/56/1070796956.db2.gz SOJDIBSYLMTEPV-GOEBONIOSA-N 0 0 456.542 0.955 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000748410290 1070796973 /nfs/dbraw/zinc/79/69/73/1070796973.db2.gz SOJDIBSYLMTEPV-HOCLYGCPSA-N 0 0 456.542 0.955 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000748410291 1070796894 /nfs/dbraw/zinc/79/68/94/1070796894.db2.gz SOJDIBSYLMTEPV-ZBFHGGJFSA-N 0 0 456.542 0.955 20 30 JCEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c1C#N ZINC000748428958 1070799487 /nfs/dbraw/zinc/79/94/87/1070799487.db2.gz WRTXESZTUYIDKS-UHFFFAOYSA-N 0 0 456.484 0.992 20 30 JCEDRN COc1ccc(CC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 ZINC000748444547 1070800950 /nfs/dbraw/zinc/80/09/50/1070800950.db2.gz SPLJFGVGGSDNMD-UHFFFAOYSA-N 0 0 453.517 0.562 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000748517905 1070804842 /nfs/dbraw/zinc/80/48/42/1070804842.db2.gz OQMTYGXEQFOHRP-IBGZPJMESA-N 0 0 471.491 0.774 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000748517906 1070805057 /nfs/dbraw/zinc/80/50/57/1070805057.db2.gz OQMTYGXEQFOHRP-LJQANCHMSA-N 0 0 471.491 0.774 20 30 JCEDRN CCOC(Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1)OCC ZINC000748547842 1070807231 /nfs/dbraw/zinc/80/72/31/1070807231.db2.gz KLLWMDGYQFKUQC-UHFFFAOYSA-N 0 0 462.532 0.696 20 30 JCEDRN Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(CCC#N)CCC#N)CC2)cn1C ZINC000748550649 1070807626 /nfs/dbraw/zinc/80/76/26/1070807626.db2.gz XSFQGGBZBXSJNS-UHFFFAOYSA-N 0 0 450.521 0.328 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000748557080 1070808392 /nfs/dbraw/zinc/80/83/92/1070808392.db2.gz AQXMBJPPTKKCQI-UHFFFAOYSA-N 0 0 457.487 0.287 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1=O ZINC000748564519 1070808049 /nfs/dbraw/zinc/80/80/49/1070808049.db2.gz KYDCUYGZVAYKQX-UHFFFAOYSA-N 0 0 481.488 0.535 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O ZINC000748565514 1070809035 /nfs/dbraw/zinc/80/90/35/1070809035.db2.gz WMXRMELXARRPTO-INIZCTEOSA-N 0 0 491.545 0.281 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O ZINC000748565515 1070808831 /nfs/dbraw/zinc/80/88/31/1070808831.db2.gz WMXRMELXARRPTO-MRXNPFEDSA-N 0 0 491.545 0.281 20 30 JCEDRN COc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1O ZINC000748567943 1070808974 /nfs/dbraw/zinc/80/89/74/1070808974.db2.gz HIENMFZOCLKTLX-UHFFFAOYSA-N 0 0 459.480 0.962 20 30 JCEDRN CCc1ccccc1NC(=O)CNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000748575474 1070809816 /nfs/dbraw/zinc/80/98/16/1070809816.db2.gz GXHJQGBRRZKWHD-UHFFFAOYSA-N 0 0 458.496 0.586 20 30 JCEDRN CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000748575922 1070809289 /nfs/dbraw/zinc/80/92/89/1070809289.db2.gz KQXNEBDWMSQTMP-UHFFFAOYSA-N 0 0 478.552 0.495 20 30 JCEDRN COc1cccc(NC(=O)CN(C)C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000748575923 1070809508 /nfs/dbraw/zinc/80/95/08/1070809508.db2.gz KUWOLKHJDJHYDA-UHFFFAOYSA-N 0 0 474.495 0.374 20 30 JCEDRN O=C(CNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(F)c1 ZINC000748575996 1070809430 /nfs/dbraw/zinc/80/94/30/1070809430.db2.gz QEJWZGVWZGLAQR-UHFFFAOYSA-N 0 0 466.422 0.301 20 30 JCEDRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CN=C2NS(=O)(=O)c3ccccc32)C1=O ZINC000748576420 1070809558 /nfs/dbraw/zinc/80/95/58/1070809558.db2.gz SNLYHRATOWUXNE-JOCHJYFZSA-N 0 0 499.505 0.157 20 30 JCEDRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CN=C2NS(=O)(=O)c3ccccc32)C1=O ZINC000748576421 1070810488 /nfs/dbraw/zinc/81/04/88/1070810488.db2.gz SNLYHRATOWUXNE-QFIPXVFZSA-N 0 0 499.505 0.157 20 30 JCEDRN CNS(=O)(=O)c1cc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1C ZINC000748576484 1070810173 /nfs/dbraw/zinc/81/01/73/1070810173.db2.gz ZNSPTLXKPPMFTE-UHFFFAOYSA-N 0 0 480.524 0.124 20 30 JCEDRN C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 ZINC000748606895 1070811197 /nfs/dbraw/zinc/81/11/97/1070811197.db2.gz RZEWPYAIEKCWHI-HRAATJIYSA-N 0 0 492.579 0.388 20 30 JCEDRN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 ZINC000748606896 1070811224 /nfs/dbraw/zinc/81/12/24/1070811224.db2.gz RZEWPYAIEKCWHI-IERDGZPVSA-N 0 0 492.579 0.388 20 30 JCEDRN C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 ZINC000748606897 1070811300 /nfs/dbraw/zinc/81/13/00/1070811300.db2.gz RZEWPYAIEKCWHI-IIBYNOLFSA-N 0 0 492.579 0.388 20 30 JCEDRN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 ZINC000748606898 1070811246 /nfs/dbraw/zinc/81/12/46/1070811246.db2.gz RZEWPYAIEKCWHI-KKSFZXQISA-N 0 0 492.579 0.388 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)N(C)C(C)(C)C#N)CC2)cc1 ZINC000748634659 1070811448 /nfs/dbraw/zinc/81/14/48/1070811448.db2.gz RQGKNVYYBHPUGF-UHFFFAOYSA-N 0 0 478.571 0.912 20 30 JCEDRN CN(C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(C)(C)C#N ZINC000748635306 1070811592 /nfs/dbraw/zinc/81/15/92/1070811592.db2.gz VERMWODPSMFOIB-UHFFFAOYSA-N 0 0 464.544 0.603 20 30 JCEDRN Cc1ccc(OCC(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000748645205 1070813023 /nfs/dbraw/zinc/81/30/23/1070813023.db2.gz PTNRBUYRASGQSM-UHFFFAOYSA-N 0 0 456.524 0.783 20 30 JCEDRN COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C ZINC000748653066 1070813325 /nfs/dbraw/zinc/81/33/25/1070813325.db2.gz WPLMUKUMFOXJTF-UHFFFAOYSA-N 0 0 488.522 0.980 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)CC1 ZINC000748666955 1070812949 /nfs/dbraw/zinc/81/29/49/1070812949.db2.gz GPPWRUGCRMAGLN-UHFFFAOYSA-N 0 0 471.495 0.739 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000748669592 1070813945 /nfs/dbraw/zinc/81/39/45/1070813945.db2.gz NDRUERHEUCLABQ-KRWDZBQOSA-N 0 0 480.550 0.921 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000748669597 1070814116 /nfs/dbraw/zinc/81/41/16/1070814116.db2.gz NDRUERHEUCLABQ-QGZVFWFLSA-N 0 0 480.550 0.921 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccc(C=O)cc2)CC1 ZINC000748713131 1070814626 /nfs/dbraw/zinc/81/46/26/1070814626.db2.gz OVMKAKCHSVSOSA-UHFFFAOYSA-N 0 0 471.491 0.826 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000748727554 1070815487 /nfs/dbraw/zinc/81/54/87/1070815487.db2.gz IZAKSJCRNILFFD-UHFFFAOYSA-N 0 0 484.534 0.293 20 30 JCEDRN C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000748739167 1070816070 /nfs/dbraw/zinc/81/60/70/1070816070.db2.gz LVPHCXMIWVIGAF-HNNXBMFYSA-N 0 0 474.495 0.346 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CCOC ZINC000748784042 1070818771 /nfs/dbraw/zinc/81/87/71/1070818771.db2.gz BUAFTCJEROVJBM-UHFFFAOYSA-N 0 0 460.512 0.892 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCOC)c1=O ZINC000748784065 1070819027 /nfs/dbraw/zinc/81/90/27/1070819027.db2.gz CVBIUAXJUGIAGF-UHFFFAOYSA-N 0 0 472.523 0.989 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCOC)c1=O ZINC000748784559 1070818843 /nfs/dbraw/zinc/81/88/43/1070818843.db2.gz JNVVKCYCIBCMDB-UHFFFAOYSA-N 0 0 488.522 0.225 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCOC)c1=O ZINC000748785895 1070818804 /nfs/dbraw/zinc/81/88/04/1070818804.db2.gz OVRLDNVYLUXRKY-UHFFFAOYSA-N 0 0 458.496 0.645 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CCOC ZINC000748785898 1070819197 /nfs/dbraw/zinc/81/91/97/1070819197.db2.gz OZZVRZMCARIDGX-UHFFFAOYSA-N 0 0 458.496 0.668 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c1=O ZINC000748785947 1070819169 /nfs/dbraw/zinc/81/91/69/1070819169.db2.gz QNGSKEHQVVAKRP-UHFFFAOYSA-N 0 0 460.512 0.891 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1CC(=O)N(C)C ZINC000748786405 1070819072 /nfs/dbraw/zinc/81/90/72/1070819072.db2.gz VWHJMXARFVXOBH-UHFFFAOYSA-N 0 0 485.522 0.110 20 30 JCEDRN CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O ZINC000748787131 1070818741 /nfs/dbraw/zinc/81/87/41/1070818741.db2.gz YDMXQUYISMXQGO-UHFFFAOYSA-N 0 0 455.496 0.576 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)c1=O ZINC000748787767 1070819753 /nfs/dbraw/zinc/81/97/53/1070819753.db2.gz MJOWDTPNBGFVOF-UHFFFAOYSA-N 0 0 455.515 0.033 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c1=O ZINC000748797957 1070819679 /nfs/dbraw/zinc/81/96/79/1070819679.db2.gz SXTYTWCWMNJOEF-UHFFFAOYSA-N 0 0 459.510 0.743 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CCCc3ccccc3)CC2)c1=O ZINC000748799396 1070819802 /nfs/dbraw/zinc/81/98/02/1070819802.db2.gz ZRLREFBYONZWFB-UHFFFAOYSA-N 0 0 453.543 0.668 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccc2-n2cnnn2)CC1 ZINC000748829624 1070820186 /nfs/dbraw/zinc/82/01/86/1070820186.db2.gz LXOXPZIKIDWIID-UHFFFAOYSA-N 0 0 481.494 0.224 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000748836458 1070820541 /nfs/dbraw/zinc/82/05/41/1070820541.db2.gz RNTZIPLBLQHVLA-HOTGVXAUSA-N 0 0 464.544 0.549 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000748836459 1070820390 /nfs/dbraw/zinc/82/03/90/1070820390.db2.gz RNTZIPLBLQHVLA-JKSUJKDBSA-N 0 0 464.544 0.549 20 30 JCEDRN Cc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000748838018 1070820213 /nfs/dbraw/zinc/82/02/13/1070820213.db2.gz RYVAEZGPVYJHEI-UHFFFAOYSA-N 0 0 484.534 0.673 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCNC(=O)c2ccco2)CC1 ZINC000748841576 1070821286 /nfs/dbraw/zinc/82/12/86/1070821286.db2.gz VKSNZNZOIJOCET-UHFFFAOYSA-N 0 0 474.495 0.347 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)c2)CC1 ZINC000748843422 1070822046 /nfs/dbraw/zinc/82/20/46/1070822046.db2.gz CCLICXPOBKDXOZ-UHFFFAOYSA-N 0 0 450.517 0.457 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000748847884 1070822855 /nfs/dbraw/zinc/82/28/55/1070822855.db2.gz KZIWBGRJYZLGAD-UHFFFAOYSA-N 0 0 485.518 0.948 20 30 JCEDRN COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)CNS(=O)(=O)c1ccccc1C#N ZINC000748862276 1070825680 /nfs/dbraw/zinc/82/56/80/1070825680.db2.gz DUZCGEBBKALSAB-CXUHLZMHSA-N 0 0 453.498 0.360 20 30 JCEDRN COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)CNS(=O)(=O)c1ccccc1C#N ZINC000748862280 1070825769 /nfs/dbraw/zinc/82/57/69/1070825769.db2.gz DUZCGEBBKALSAB-SXGWCWSVSA-N 0 0 453.498 0.360 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C(N)=O)s2)CC1 ZINC000748957681 1070831478 /nfs/dbraw/zinc/83/14/78/1070831478.db2.gz HKZQQTDRNPBSBV-UHFFFAOYSA-N 0 0 462.509 0.409 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000749003592 1070833963 /nfs/dbraw/zinc/83/39/63/1070833963.db2.gz BQIVJJKDOHGIOV-UHFFFAOYSA-N 0 0 466.422 0.413 20 30 JCEDRN CCOC(=O)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000749003718 1070834076 /nfs/dbraw/zinc/83/40/76/1070834076.db2.gz DSXJXZQVZMQEGP-UHFFFAOYSA-N 0 0 452.489 0.117 20 30 JCEDRN CCCCn1c2nc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n(C)c2c(=O)[nH]c1=O ZINC000749003722 1070834496 /nfs/dbraw/zinc/83/44/96/1070834496.db2.gz DWLYWLCYNJNNNV-UHFFFAOYSA-N 0 0 474.499 0.529 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000749004393 1070834015 /nfs/dbraw/zinc/83/40/15/1070834015.db2.gz HTUUODFFXGFDPZ-UHFFFAOYSA-N 0 0 460.487 0.868 20 30 JCEDRN COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000749005260 1070834245 /nfs/dbraw/zinc/83/42/45/1070834245.db2.gz MEKGIVUIZHMPPI-UHFFFAOYSA-N 0 0 474.495 0.485 20 30 JCEDRN COc1cc2c(cc1OC)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000749006558 1070833936 /nfs/dbraw/zinc/83/39/36/1070833936.db2.gz WBAFHOMJZZWPFA-UHFFFAOYSA-N 0 0 473.507 0.982 20 30 JCEDRN CCc1ccccc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000749006567 1070834046 /nfs/dbraw/zinc/83/40/46/1070834046.db2.gz WKVBZKMQEVNOKV-UHFFFAOYSA-N 0 0 458.496 0.697 20 30 JCEDRN CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749007675 1070834420 /nfs/dbraw/zinc/83/44/20/1070834420.db2.gz HXBJKOHMPZZCHI-INIZCTEOSA-N 0 0 465.528 0.993 20 30 JCEDRN CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749007676 1070834338 /nfs/dbraw/zinc/83/43/38/1070834338.db2.gz HXBJKOHMPZZCHI-MRXNPFEDSA-N 0 0 465.528 0.993 20 30 JCEDRN NS(=O)(=O)c1ccc(OCCOC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000749008456 1070834367 /nfs/dbraw/zinc/83/43/67/1070834367.db2.gz SWGXPUGBXQMKKU-UHFFFAOYSA-N 0 0 467.525 0.775 20 30 JCEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000749009328 1070834760 /nfs/dbraw/zinc/83/47/60/1070834760.db2.gz KGZRVBZERRIEKE-UHFFFAOYSA-N 0 0 458.544 0.600 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)n2c2ccccc2c1=O ZINC000749010781 1070835146 /nfs/dbraw/zinc/83/51/46/1070835146.db2.gz SALNVUOVKOBANJ-INIZCTEOSA-N 0 0 484.538 0.732 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)n2c2ccccc2c1=O ZINC000749010785 1070835240 /nfs/dbraw/zinc/83/52/40/1070835240.db2.gz SALNVUOVKOBANJ-MRXNPFEDSA-N 0 0 484.538 0.732 20 30 JCEDRN CCc1ccccc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000749016638 1070839362 /nfs/dbraw/zinc/83/93/62/1070839362.db2.gz AENBGQDUKBLWOK-UHFFFAOYSA-N 0 0 458.496 0.697 20 30 JCEDRN COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000749016777 1070839182 /nfs/dbraw/zinc/83/91/82/1070839182.db2.gz CYRFYBPCWWQOPW-UHFFFAOYSA-N 0 0 474.495 0.485 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000749017517 1070838754 /nfs/dbraw/zinc/83/87/54/1070838754.db2.gz NHANZYNWUQMGIG-UHFFFAOYSA-N 0 0 466.422 0.413 20 30 JCEDRN COc1cc2c(cc1OC)CN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000749017807 1070839104 /nfs/dbraw/zinc/83/91/04/1070839104.db2.gz VBBHSPNQAOQRPJ-UHFFFAOYSA-N 0 0 473.507 0.982 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000749017864 1070839002 /nfs/dbraw/zinc/83/90/02/1070839002.db2.gz XOHWRLQIZGDKNT-UHFFFAOYSA-N 0 0 460.487 0.868 20 30 JCEDRN CCOC(=O)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000749019910 1070836339 /nfs/dbraw/zinc/83/63/39/1070836339.db2.gz FBIDJMOSOWDSJM-UHFFFAOYSA-N 0 0 452.489 0.117 20 30 JCEDRN CCCCn1c2nc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n(C)c2c(=O)[nH]c1=O ZINC000749020142 1070835764 /nfs/dbraw/zinc/83/57/64/1070835764.db2.gz KGDVMAXRGYTLJP-UHFFFAOYSA-N 0 0 474.499 0.529 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000749028889 1070837509 /nfs/dbraw/zinc/83/75/09/1070837509.db2.gz YEVPIQGTYJEIJI-UHFFFAOYSA-N 0 0 461.526 0.942 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)c1 ZINC000749028890 1070837802 /nfs/dbraw/zinc/83/78/02/1070837802.db2.gz FKRLHKBUUGOTOV-UHFFFAOYSA-N 0 0 461.526 0.942 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)nc1 ZINC000749031512 1070838397 /nfs/dbraw/zinc/83/83/97/1070838397.db2.gz QSSWGACTZNMKJF-UHFFFAOYSA-N 0 0 461.526 0.942 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000749031770 1070838545 /nfs/dbraw/zinc/83/85/45/1070838545.db2.gz ATENDKBEIPAKDY-UHFFFAOYSA-N 0 0 481.494 0.224 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)cc1 ZINC000749042991 1070839749 /nfs/dbraw/zinc/83/97/49/1070839749.db2.gz LBEKLADKQVRTHH-CYMZXICGSA-N 0 0 452.533 0.342 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)cc1 ZINC000749042992 1070839863 /nfs/dbraw/zinc/83/98/63/1070839863.db2.gz LBEKLADKQVRTHH-FVOSJULTSA-N 0 0 452.533 0.342 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)cc1 ZINC000749042993 1070839492 /nfs/dbraw/zinc/83/94/92/1070839492.db2.gz LBEKLADKQVRTHH-PDNPPFGYSA-N 0 0 452.533 0.342 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)cc1 ZINC000749042994 1070839945 /nfs/dbraw/zinc/83/99/45/1070839945.db2.gz LBEKLADKQVRTHH-PJWCADQQSA-N 0 0 452.533 0.342 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)c1 ZINC000749043008 1070839913 /nfs/dbraw/zinc/83/99/13/1070839913.db2.gz LIPYFQRGHVABBA-CYMZXICGSA-N 0 0 452.533 0.342 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)c1 ZINC000749043011 1070840302 /nfs/dbraw/zinc/84/03/02/1070840302.db2.gz LIPYFQRGHVABBA-FVOSJULTSA-N 0 0 452.533 0.342 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)c1 ZINC000749043013 1070840417 /nfs/dbraw/zinc/84/04/17/1070840417.db2.gz LIPYFQRGHVABBA-PDNPPFGYSA-N 0 0 452.533 0.342 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)c1 ZINC000749043015 1070840391 /nfs/dbraw/zinc/84/03/91/1070840391.db2.gz LIPYFQRGHVABBA-PJWCADQQSA-N 0 0 452.533 0.342 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000749048571 1070841379 /nfs/dbraw/zinc/84/13/79/1070841379.db2.gz IFGSYGIJJQAIFF-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN CCOC(=O)N1CCC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000749115800 1070843183 /nfs/dbraw/zinc/84/31/83/1070843183.db2.gz BRNMAROVFJAAGC-UHFFFAOYSA-N 0 0 492.554 0.803 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c1 ZINC000749147579 1070843910 /nfs/dbraw/zinc/84/39/10/1070843910.db2.gz AUFJICPCPMBOPK-GOSISDBHSA-N 0 0 471.539 0.901 20 30 JCEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c1 ZINC000749147582 1070844037 /nfs/dbraw/zinc/84/40/37/1070844037.db2.gz AUFJICPCPMBOPK-SFHVURJKSA-N 0 0 471.539 0.901 20 30 JCEDRN CS(=O)(=O)c1ccccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000749147898 1070843215 /nfs/dbraw/zinc/84/32/15/1070843215.db2.gz SKMFCCHVTHWPCK-UHFFFAOYSA-N 0 0 491.547 0.652 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000749157372 1070843707 /nfs/dbraw/zinc/84/37/07/1070843707.db2.gz MAGYUHBCCFOLEI-UHFFFAOYSA-N 0 0 477.564 0.630 20 30 JCEDRN CC(=O)N[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C ZINC000749161133 1070844744 /nfs/dbraw/zinc/84/47/44/1070844744.db2.gz DJHVXSBMWHDTCK-IBGZPJMESA-N 0 0 450.517 0.095 20 30 JCEDRN CC(=O)N[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C ZINC000749161136 1070844659 /nfs/dbraw/zinc/84/46/59/1070844659.db2.gz DJHVXSBMWHDTCK-LJQANCHMSA-N 0 0 450.517 0.095 20 30 JCEDRN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000749170886 1070845473 /nfs/dbraw/zinc/84/54/73/1070845473.db2.gz OOPPHPCOUVSYCM-UHFFFAOYSA-N 0 0 491.547 0.652 20 30 JCEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)c1 ZINC000749172099 1070846195 /nfs/dbraw/zinc/84/61/95/1070846195.db2.gz MUDUBVJJQPMOLU-MFKUBSTISA-N 0 0 473.515 0.746 20 30 JCEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)c1 ZINC000749172101 1070846290 /nfs/dbraw/zinc/84/62/90/1070846290.db2.gz MUDUBVJJQPMOLU-MYYYXRDXSA-N 0 0 473.515 0.746 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000749178579 1070845959 /nfs/dbraw/zinc/84/59/59/1070845959.db2.gz LYGXSBCNYYUYKF-UHFFFAOYSA-N 0 0 495.517 0.826 20 30 JCEDRN CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(C)C#N ZINC000749178710 1070845710 /nfs/dbraw/zinc/84/57/10/1070845710.db2.gz MRQDMCUOXFMLGB-UHFFFAOYSA-N 0 0 467.504 0.777 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000749193394 1071017087 /nfs/dbraw/zinc/01/70/87/1071017087.db2.gz ISIHKJKSSAFKJC-UHFFFAOYSA-N 0 0 481.494 0.224 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1=O ZINC000749197928 1071017909 /nfs/dbraw/zinc/01/79/09/1071017909.db2.gz XXIRHKLLRDCPNT-UHFFFAOYSA-N 0 0 488.444 0.515 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000749249065 1071019783 /nfs/dbraw/zinc/01/97/83/1071019783.db2.gz WDTYEBJLHZUUPR-UHFFFAOYSA-N 0 0 498.517 0.360 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000749266276 1071020285 /nfs/dbraw/zinc/02/02/85/1071020285.db2.gz WCQXBNYHCLINJN-UHFFFAOYSA-N 0 0 485.444 0.850 20 30 JCEDRN O=C(CNC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(F)c1 ZINC000749274188 1071021391 /nfs/dbraw/zinc/02/13/91/1071021391.db2.gz AZYHFJAJPHWJSW-UHFFFAOYSA-N 0 0 480.449 0.692 20 30 JCEDRN COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 ZINC000749274196 1071021641 /nfs/dbraw/zinc/02/16/41/1071021641.db2.gz CDAQFFCNULWPIB-UHFFFAOYSA-N 0 0 474.495 0.485 20 30 JCEDRN CCc1ccccc1NC(=O)CNC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749274216 1071021373 /nfs/dbraw/zinc/02/13/73/1071021373.db2.gz DLUMAEAGDLCLPN-UHFFFAOYSA-N 0 0 472.523 0.976 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000749274229 1071021530 /nfs/dbraw/zinc/02/15/30/1071021530.db2.gz FEWUKLOZKWATPN-UHFFFAOYSA-N 0 0 460.487 0.868 20 30 JCEDRN NS(=O)(=O)c1ccc(OCCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000749274256 1071021682 /nfs/dbraw/zinc/02/16/82/1071021682.db2.gz GRULBIDALIKERA-UHFFFAOYSA-N 0 0 453.498 0.385 20 30 JCEDRN CCCCn1c2nc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)n(C)c2c(=O)[nH]c1=O ZINC000749274279 1071021353 /nfs/dbraw/zinc/02/13/53/1071021353.db2.gz HWWXPZRKPQKCID-UHFFFAOYSA-N 0 0 474.499 0.529 20 30 JCEDRN COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000749274284 1071021469 /nfs/dbraw/zinc/02/14/69/1071021469.db2.gz IANIELQOZUDKFO-UHFFFAOYSA-N 0 0 488.522 0.764 20 30 JCEDRN CCc1ccccc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N ZINC000749274639 1071020947 /nfs/dbraw/zinc/02/09/47/1071020947.db2.gz KOAOUIUHBOPYGT-UHFFFAOYSA-N 0 0 458.496 0.697 20 30 JCEDRN CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749274645 1071020772 /nfs/dbraw/zinc/02/07/72/1071020772.db2.gz KZIGMKIJNGTOFJ-HNNXBMFYSA-N 0 0 451.501 0.603 20 30 JCEDRN CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749274649 1071020813 /nfs/dbraw/zinc/02/08/13/1071020813.db2.gz KZIGMKIJNGTOFJ-OAHLLOKOSA-N 0 0 451.501 0.603 20 30 JCEDRN CNS(=O)(=O)c1cc(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1C ZINC000749274658 1071020912 /nfs/dbraw/zinc/02/09/12/1071020912.db2.gz LELPXRYSTXBAJG-UHFFFAOYSA-N 0 0 494.551 0.514 20 30 JCEDRN COc1cc2c(cc1OC)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)CC2 ZINC000749275032 1071021763 /nfs/dbraw/zinc/02/17/63/1071021763.db2.gz QVPWAPORNZUOAN-UHFFFAOYSA-N 0 0 473.507 0.982 20 30 JCEDRN CCOC(=O)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000749275058 1071021407 /nfs/dbraw/zinc/02/14/07/1071021407.db2.gz RFSXBYLGKHAMBU-UHFFFAOYSA-N 0 0 452.489 0.117 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000749275208 1071021569 /nfs/dbraw/zinc/02/15/69/1071021569.db2.gz YXTJPTQOAFSXSF-UHFFFAOYSA-N 0 0 466.422 0.413 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)o1 ZINC000749290983 1071023309 /nfs/dbraw/zinc/02/33/09/1071023309.db2.gz XCBFLDFGIUIBER-INIZCTEOSA-N 0 0 493.567 0.961 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)o1 ZINC000749290984 1071023290 /nfs/dbraw/zinc/02/32/90/1071023290.db2.gz XCBFLDFGIUIBER-MRXNPFEDSA-N 0 0 493.567 0.961 20 30 JCEDRN COc1ccc(O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000749327143 1071066744 /nfs/dbraw/zinc/06/67/44/1071066744.db2.gz DJBWILNPUIAGBF-UHFFFAOYSA-N 0 0 459.480 0.962 20 30 JCEDRN CN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1=O ZINC000749333827 1071068346 /nfs/dbraw/zinc/06/83/46/1071068346.db2.gz XBIYDJDBWXNNJG-UHFFFAOYSA-N 0 0 496.501 0.474 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000749356608 1071069635 /nfs/dbraw/zinc/06/96/35/1071069635.db2.gz SFXMZTOFIFSFQA-PYCFMQQDSA-N 0 0 486.620 0.198 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000749356609 1071069415 /nfs/dbraw/zinc/06/94/15/1071069415.db2.gz SFXMZTOFIFSFQA-RELWKKBWSA-N 0 0 486.620 0.198 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000749356775 1071069671 /nfs/dbraw/zinc/06/96/71/1071069671.db2.gz XIZRPSBOEYZSON-PYCFMQQDSA-N 0 0 486.620 0.198 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000749356776 1071069541 /nfs/dbraw/zinc/06/95/41/1071069541.db2.gz XIZRPSBOEYZSON-RELWKKBWSA-N 0 0 486.620 0.198 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000749372841 1071070934 /nfs/dbraw/zinc/07/09/34/1071070934.db2.gz ASTCAGAKHSNDTH-UHFFFAOYSA-N 0 0 454.552 0.672 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000749373280 1071070731 /nfs/dbraw/zinc/07/07/31/1071070731.db2.gz HRBBCTNIKYSFNC-UHFFFAOYSA-N 0 0 454.552 0.672 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000749373721 1071070659 /nfs/dbraw/zinc/07/06/59/1071070659.db2.gz NONPNTVGUHJVSF-UHFFFAOYSA-N 0 0 455.540 0.186 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000749380352 1071070911 /nfs/dbraw/zinc/07/09/11/1071070911.db2.gz UJTNPLKODLUCJP-UHFFFAOYSA-N 0 0 459.572 0.922 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 ZINC000749380946 1071070852 /nfs/dbraw/zinc/07/08/52/1071070852.db2.gz ZLNZBZLJEXGRRD-UHFFFAOYSA-N 0 0 458.968 0.953 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000749384537 1071071211 /nfs/dbraw/zinc/07/12/11/1071071211.db2.gz HMXYEYZFGVVIOA-GOSISDBHSA-N 0 0 476.555 0.698 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000749384540 1071071256 /nfs/dbraw/zinc/07/12/56/1071071256.db2.gz HMXYEYZFGVVIOA-SFHVURJKSA-N 0 0 476.555 0.698 20 30 JCEDRN COCCN1C(=O)c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2S1(=O)=O ZINC000749385433 1071071226 /nfs/dbraw/zinc/07/12/26/1071071226.db2.gz VOMDXYSYSPNBQP-UHFFFAOYSA-N 0 0 450.517 0.166 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000749396936 1071072188 /nfs/dbraw/zinc/07/21/88/1071072188.db2.gz IIJUNBXIEFWRNQ-UHFFFAOYSA-N 0 0 480.506 0.829 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000749399243 1071072071 /nfs/dbraw/zinc/07/20/71/1071072071.db2.gz LSMKFIAQESYDDQ-UHFFFAOYSA-N 0 0 469.567 0.576 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000749402082 1071072590 /nfs/dbraw/zinc/07/25/90/1071072590.db2.gz DWXUQEVSLWXGIN-UHFFFAOYSA-N 0 0 471.495 0.739 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CSCCS2)CC1 ZINC000749403654 1071072614 /nfs/dbraw/zinc/07/26/14/1071072614.db2.gz AQUOTQPFOLNPSD-HNNXBMFYSA-N 0 0 455.583 0.783 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CSCCS2)CC1 ZINC000749403656 1071072735 /nfs/dbraw/zinc/07/27/35/1071072735.db2.gz AQUOTQPFOLNPSD-OAHLLOKOSA-N 0 0 455.583 0.783 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(CNC(N)=O)cc2)CC1 ZINC000749403763 1071072693 /nfs/dbraw/zinc/07/26/93/1071072693.db2.gz DAZZBGDGRIXNPF-UHFFFAOYSA-N 0 0 485.522 0.416 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2CCCCCC2=O)CC1 ZINC000749416420 1071074333 /nfs/dbraw/zinc/07/43/33/1071074333.db2.gz QEHZZDWCHDFGQW-UHFFFAOYSA-N 0 0 462.528 0.337 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 ZINC000749503605 1071076249 /nfs/dbraw/zinc/07/62/49/1071076249.db2.gz DTURHKYDLXAECL-UHFFFAOYSA-N 0 0 454.508 0.357 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)COCC(=O)N(CC(=O)NC)c2cccc(C#C)c2)c1 ZINC000749503991 1071076213 /nfs/dbraw/zinc/07/62/13/1071076213.db2.gz BHRNMEAHCRKECW-UHFFFAOYSA-N 0 0 474.517 0.524 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 ZINC000749504175 1071075917 /nfs/dbraw/zinc/07/59/17/1071075917.db2.gz CSHRLAICUFIRBK-UHFFFAOYSA-N 0 0 487.534 0.787 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1 ZINC000749504182 1071075934 /nfs/dbraw/zinc/07/59/34/1071075934.db2.gz HVXYFBALTAZORN-UHFFFAOYSA-N 0 0 482.562 0.914 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 ZINC000749504508 1071075962 /nfs/dbraw/zinc/07/59/62/1071075962.db2.gz GLSNQPNCFKCMIG-UHFFFAOYSA-N 0 0 474.525 0.609 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(n2)n(C)c(=O)n(C)c3=O)c1 ZINC000749504576 1071076172 /nfs/dbraw/zinc/07/61/72/1071076172.db2.gz IRBJLPHZFPHEGA-UHFFFAOYSA-N 0 0 461.478 0.119 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 ZINC000749504658 1071076190 /nfs/dbraw/zinc/07/61/90/1071076190.db2.gz KDQNNHJLDRLFIY-UHFFFAOYSA-N 0 0 486.528 0.932 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000749505568 1071075978 /nfs/dbraw/zinc/07/59/78/1071075978.db2.gz WFBLOEYIBAGMGJ-UHFFFAOYSA-N 0 0 461.478 0.119 20 30 JCEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)c1 ZINC000749507246 1071076026 /nfs/dbraw/zinc/07/60/26/1071076026.db2.gz LROCWPKGKPDNHT-UHFFFAOYSA-N 0 0 455.492 0.852 20 30 JCEDRN CN(C(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(C)(C)C#N ZINC000749528010 1071076741 /nfs/dbraw/zinc/07/67/41/1071076741.db2.gz QUISCPAOMPPKRR-UHFFFAOYSA-N 0 0 491.570 0.831 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1 ZINC000749573889 1071077814 /nfs/dbraw/zinc/07/78/14/1071077814.db2.gz UNXANPYPCUWTLX-UHFFFAOYSA-N 0 0 452.533 0.691 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000749606621 1071080125 /nfs/dbraw/zinc/08/01/25/1071080125.db2.gz SEKAHCJLIZMVFM-GOSISDBHSA-N 0 0 488.566 0.725 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000749606642 1071080090 /nfs/dbraw/zinc/08/00/90/1071080090.db2.gz SEKAHCJLIZMVFM-SFHVURJKSA-N 0 0 488.566 0.725 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000749616446 1071080881 /nfs/dbraw/zinc/08/08/81/1071080881.db2.gz MWNGAPYSZKKHLF-UHFFFAOYSA-N 0 0 483.594 0.966 20 30 JCEDRN C[S@](=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000749636145 1071081319 /nfs/dbraw/zinc/08/13/19/1071081319.db2.gz NRMRMGMVORPJMG-HKBQPEDESA-N 0 0 475.548 0.986 20 30 JCEDRN C[S@@](=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000749636150 1071081523 /nfs/dbraw/zinc/08/15/23/1071081523.db2.gz NRMRMGMVORPJMG-WJOKGBTCSA-N 0 0 475.548 0.986 20 30 JCEDRN CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000749724156 1071085327 /nfs/dbraw/zinc/08/53/27/1071085327.db2.gz ALEVLZVLSUULFB-KRWDZBQOSA-N 0 0 451.501 0.980 20 30 JCEDRN CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000749724161 1071085167 /nfs/dbraw/zinc/08/51/67/1071085167.db2.gz ALEVLZVLSUULFB-QGZVFWFLSA-N 0 0 451.501 0.980 20 30 JCEDRN Cc1csc(=O)n1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000749735839 1071086583 /nfs/dbraw/zinc/08/65/83/1071086583.db2.gz LORYJGYKGLLMSF-UHFFFAOYSA-N 0 0 478.552 0.556 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000749788011 1071087324 /nfs/dbraw/zinc/08/73/24/1071087324.db2.gz LMBRKCWISFEVIO-UHFFFAOYSA-N 0 0 456.480 0.347 20 30 JCEDRN CN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(C)(C)C#N ZINC000749819010 1071088292 /nfs/dbraw/zinc/08/82/92/1071088292.db2.gz XLZUROVULKWWIK-UHFFFAOYSA-N 0 0 494.570 0.461 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000749827590 1071088366 /nfs/dbraw/zinc/08/83/66/1071088366.db2.gz OKRWSHXLMIEAOZ-UHFFFAOYSA-N 0 0 468.539 0.817 20 30 JCEDRN CC(C)(C)C(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000749838899 1071089191 /nfs/dbraw/zinc/08/91/91/1071089191.db2.gz XPTWOUZTMGTSCA-UHFFFAOYSA-N 0 0 450.517 0.097 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000749865532 1071090447 /nfs/dbraw/zinc/09/04/47/1071090447.db2.gz WDUIRJNBQBDRPK-UHFFFAOYSA-N 0 0 475.958 0.844 20 30 JCEDRN CC(=O)NCc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000749869893 1071090421 /nfs/dbraw/zinc/09/04/21/1071090421.db2.gz ROURHMIKAPKSRM-UHFFFAOYSA-N 0 0 484.534 0.884 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C(=O)OC)cc3)C[C@@H]2C)c1=O ZINC000749889624 1071090348 /nfs/dbraw/zinc/09/03/48/1071090348.db2.gz HBWFLQYCXDDDAR-KRWDZBQOSA-N 0 0 455.515 0.499 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C(=O)OC)cc3)C[C@H]2C)c1=O ZINC000749889625 1071090574 /nfs/dbraw/zinc/09/05/74/1071090574.db2.gz HBWFLQYCXDDDAR-QGZVFWFLSA-N 0 0 455.515 0.499 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCNC(=O)c2cccs2)CC1 ZINC000749930803 1071092066 /nfs/dbraw/zinc/09/20/66/1071092066.db2.gz PKWMBXPZCFTAIO-UHFFFAOYSA-N 0 0 490.563 0.816 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1 ZINC000749941926 1071092605 /nfs/dbraw/zinc/09/26/05/1071092605.db2.gz RALXOHKPJQKTFB-IBGZPJMESA-N 0 0 498.517 0.724 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 ZINC000749941939 1071092730 /nfs/dbraw/zinc/09/27/30/1071092730.db2.gz RALXOHKPJQKTFB-LJQANCHMSA-N 0 0 498.517 0.724 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000749945937 1071093512 /nfs/dbraw/zinc/09/35/12/1071093512.db2.gz STGOBSCDRPVZAI-UHFFFAOYSA-N 0 0 484.490 0.579 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCNC(=O)c2ccsc2)CC1 ZINC000749966167 1071093304 /nfs/dbraw/zinc/09/33/04/1071093304.db2.gz DTOLWHURWNWCBJ-UHFFFAOYSA-N 0 0 490.563 0.816 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000749966169 1071093567 /nfs/dbraw/zinc/09/35/67/1071093567.db2.gz DTZSNZNURRNFRU-UHFFFAOYSA-N 0 0 484.490 0.579 20 30 JCEDRN CC(C)(C)OC(=O)NCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000750001988 1071096781 /nfs/dbraw/zinc/09/67/81/1071096781.db2.gz ZJBLZWLDSCWFFY-UHFFFAOYSA-N 0 0 480.543 0.849 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000750075845 1071099430 /nfs/dbraw/zinc/09/94/30/1071099430.db2.gz JEKXATKKXLANDX-GOSISDBHSA-N 0 0 486.554 0.725 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000750075847 1071099322 /nfs/dbraw/zinc/09/93/22/1071099322.db2.gz JEKXATKKXLANDX-SFHVURJKSA-N 0 0 486.554 0.725 20 30 JCEDRN C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000750096967 1071099949 /nfs/dbraw/zinc/09/99/49/1071099949.db2.gz VUFCEMTWYHMRDI-KRWDZBQOSA-N 0 0 484.534 0.753 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000750125809 1071100789 /nfs/dbraw/zinc/10/07/89/1071100789.db2.gz NIEXUPLMQDZVNJ-UHFFFAOYSA-N 0 0 488.478 0.778 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000750134148 1071101606 /nfs/dbraw/zinc/10/16/06/1071101606.db2.gz NNYWHOJSWWAJRX-IBGZPJMESA-N 0 0 488.566 0.583 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000750134155 1071101534 /nfs/dbraw/zinc/10/15/34/1071101534.db2.gz NNYWHOJSWWAJRX-LJQANCHMSA-N 0 0 488.566 0.583 20 30 JCEDRN COCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000750149851 1071103023 /nfs/dbraw/zinc/10/30/23/1071103023.db2.gz OFJAFHWFXVSQPT-UHFFFAOYSA-N 0 0 476.511 0.780 20 30 JCEDRN Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cn2n1 ZINC000750212054 1071110759 /nfs/dbraw/zinc/11/07/59/1071110759.db2.gz JWROSTPHWOGMLI-UHFFFAOYSA-N 0 0 477.437 0.956 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC2)o1 ZINC000750214059 1071111894 /nfs/dbraw/zinc/11/18/94/1071111894.db2.gz PBOJWLJEHLCAKF-UHFFFAOYSA-N 0 0 487.947 0.740 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000750226031 1071114584 /nfs/dbraw/zinc/11/45/84/1071114584.db2.gz SPRBCTFSSDPNIN-UHFFFAOYSA-N 0 0 463.335 0.988 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000750233489 1071116436 /nfs/dbraw/zinc/11/64/36/1071116436.db2.gz ZYJSMAJBXUPROV-MRVPVSSYSA-N 0 0 454.324 0.732 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000750233491 1071116578 /nfs/dbraw/zinc/11/65/78/1071116578.db2.gz ZYJSMAJBXUPROV-QMMMGPOBSA-N 0 0 454.324 0.732 20 30 JCEDRN N#Cc1ccc(CC(=O)OCC(=O)N2CCN(C(=O)COC(=O)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000750241925 1071116495 /nfs/dbraw/zinc/11/64/95/1071116495.db2.gz HUHNAECMWXIWCV-UHFFFAOYSA-N 0 0 488.500 0.972 20 30 JCEDRN N#Cc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000750241965 1071116383 /nfs/dbraw/zinc/11/63/83/1071116383.db2.gz INCYLGMQQKTVMO-UHFFFAOYSA-N 0 0 485.518 0.948 20 30 JCEDRN N#Cc1ccc(CC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 ZINC000750242578 1071116232 /nfs/dbraw/zinc/11/62/32/1071116232.db2.gz QANVKVNQFUWAQO-UHFFFAOYSA-N 0 0 457.508 0.981 20 30 JCEDRN N#Cc1ccc(CC(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000750250364 1071117319 /nfs/dbraw/zinc/11/73/19/1071117319.db2.gz PBQKQESSFWQPCW-UHFFFAOYSA-N 0 0 457.508 0.981 20 30 JCEDRN CS(=O)(=O)C1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 ZINC000750272839 1071117843 /nfs/dbraw/zinc/11/78/43/1071117843.db2.gz PSRRPSWTTSDFAB-UHFFFAOYSA-N 0 0 483.568 0.292 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)nc1 ZINC000750344568 1071121280 /nfs/dbraw/zinc/12/12/80/1071121280.db2.gz MGKKFTQKLGKBGX-UHFFFAOYSA-N 0 0 462.514 0.574 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000750357614 1071123068 /nfs/dbraw/zinc/12/30/68/1071123068.db2.gz KOYUJCCMYTZVMW-UHFFFAOYSA-N 0 0 462.514 0.574 20 30 JCEDRN CN(C)C(=O)Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 ZINC000750396334 1071125577 /nfs/dbraw/zinc/12/55/77/1071125577.db2.gz WDVDGLRJWLFUAJ-KRWDZBQOSA-N 0 0 487.542 0.502 20 30 JCEDRN CN(C)C(=O)Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 ZINC000750396337 1071125621 /nfs/dbraw/zinc/12/56/21/1071125621.db2.gz WDVDGLRJWLFUAJ-QGZVFWFLSA-N 0 0 487.542 0.502 20 30 JCEDRN CN(C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C1(C#N)CCCCC1 ZINC000750506982 1071131458 /nfs/dbraw/zinc/13/14/58/1071131458.db2.gz DFRZHINNHJQHLY-GOSISDBHSA-N 0 0 499.611 0.996 20 30 JCEDRN CN(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C1(C#N)CCCCC1 ZINC000750506983 1071131542 /nfs/dbraw/zinc/13/15/42/1071131542.db2.gz DFRZHINNHJQHLY-SFHVURJKSA-N 0 0 499.611 0.996 20 30 JCEDRN Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000750521561 1071133127 /nfs/dbraw/zinc/13/31/27/1071133127.db2.gz PSNXGLGLOBDOAB-UHFFFAOYSA-N 0 0 499.505 0.397 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000750566231 1071135816 /nfs/dbraw/zinc/13/58/16/1071135816.db2.gz HDHQJVULDZEPLC-UHFFFAOYSA-N 0 0 452.496 0.698 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000750566436 1071135690 /nfs/dbraw/zinc/13/56/90/1071135690.db2.gz HRZYGUVWZXAVRZ-UHFFFAOYSA-N 0 0 491.591 0.972 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000750566514 1071135754 /nfs/dbraw/zinc/13/57/54/1071135754.db2.gz KQSGVLMSMWMCID-UHFFFAOYSA-N 0 0 463.537 0.369 20 30 JCEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000750566527 1071135535 /nfs/dbraw/zinc/13/55/35/1071135535.db2.gz KSHGCRUEONAEEH-UHFFFAOYSA-N 0 0 477.564 0.630 20 30 JCEDRN COc1cc([C@@H](C#N)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1OC ZINC000750574954 1071135563 /nfs/dbraw/zinc/13/55/63/1071135563.db2.gz IUKZNVMZRYRPBZ-DZGCQCFKSA-N 0 0 464.500 0.559 20 30 JCEDRN COc1cc([C@H](C#N)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1OC ZINC000750574956 1071135450 /nfs/dbraw/zinc/13/54/50/1071135450.db2.gz IUKZNVMZRYRPBZ-HIFRSBDPSA-N 0 0 464.500 0.559 20 30 JCEDRN COc1cc([C@@H](C#N)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1OC ZINC000750574960 1071135575 /nfs/dbraw/zinc/13/55/75/1071135575.db2.gz IUKZNVMZRYRPBZ-UKRRQHHQSA-N 0 0 464.500 0.559 20 30 JCEDRN COc1cc([C@H](C#N)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc(OC)c1OC ZINC000750574962 1071135516 /nfs/dbraw/zinc/13/55/16/1071135516.db2.gz IUKZNVMZRYRPBZ-ZFWWWQNUSA-N 0 0 464.500 0.559 20 30 JCEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000750820734 1071147410 /nfs/dbraw/zinc/14/74/10/1071147410.db2.gz LRLBRVUXYKWLDF-HSZRJFAPSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000750820735 1071147302 /nfs/dbraw/zinc/14/73/02/1071147302.db2.gz LRLBRVUXYKWLDF-QHCPKHFHSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000750821322 1071147230 /nfs/dbraw/zinc/14/72/30/1071147230.db2.gz BNCXCHVMJPIEJX-HSZRJFAPSA-N 0 0 497.533 0.985 20 30 JCEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000750821323 1071147398 /nfs/dbraw/zinc/14/73/98/1071147398.db2.gz BNCXCHVMJPIEJX-QHCPKHFHSA-N 0 0 497.533 0.985 20 30 JCEDRN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000750821845 1071147247 /nfs/dbraw/zinc/14/72/47/1071147247.db2.gz TZCHEYASKUJKQJ-HRAATJIYSA-N 0 0 470.511 0.829 20 30 JCEDRN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000750821857 1071147393 /nfs/dbraw/zinc/14/73/93/1071147393.db2.gz TZCHEYASKUJKQJ-IERDGZPVSA-N 0 0 470.511 0.829 20 30 JCEDRN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000750821859 1071147293 /nfs/dbraw/zinc/14/72/93/1071147293.db2.gz TZCHEYASKUJKQJ-IIBYNOLFSA-N 0 0 470.511 0.829 20 30 JCEDRN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000750821862 1071147404 /nfs/dbraw/zinc/14/74/04/1071147404.db2.gz TZCHEYASKUJKQJ-KKSFZXQISA-N 0 0 470.511 0.829 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)nc2N2CCN(C(C)=O)CC2)c1 ZINC000750844454 1071147382 /nfs/dbraw/zinc/14/73/82/1071147382.db2.gz RCCACKWVEBTCDP-UHFFFAOYSA-N 0 0 471.539 0.923 20 30 JCEDRN Cn1cc(C(=O)NCC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 ZINC000750860813 1071147968 /nfs/dbraw/zinc/14/79/68/1071147968.db2.gz HVEZVZLMBBUTSO-UHFFFAOYSA-N 0 0 458.544 0.517 20 30 JCEDRN O=C1C(=NNC(=S)NCCN2CCOCC2)c2cc(Br)ccc2N1Cc1ncon1 ZINC000750918175 1071149567 /nfs/dbraw/zinc/14/95/67/1071149567.db2.gz FRCGSDWHQFCJQO-UHFFFAOYSA-N 0 0 494.375 0.879 20 30 JCEDRN O=C1Nc2c(cccc2I)C1=NNC(=S)NCCN1CCOCC1 ZINC000750918806 1071149426 /nfs/dbraw/zinc/14/94/26/1071149426.db2.gz PIIYIHATKHRTIF-UHFFFAOYSA-N 0 0 459.313 0.744 20 30 JCEDRN CN(C)C(=O)CN1C(=O)C(=NNC(=S)NCCN2CCOCC2)c2cc(Br)ccc21 ZINC000750919109 1071149450 /nfs/dbraw/zinc/14/94/50/1071149450.db2.gz WAXRQDULOPMTPR-UHFFFAOYSA-N 0 0 497.419 0.384 20 30 JCEDRN CN(C)C(=O)CN1c2ccc(Br)cc2C(=NNc2ccc(S(N)(=O)=O)cn2)C1=O ZINC000750937334 1071149632 /nfs/dbraw/zinc/14/96/32/1071149632.db2.gz JSJADHRBHYJNRH-UHFFFAOYSA-N 0 0 481.332 0.743 20 30 JCEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000750960473 1071150357 /nfs/dbraw/zinc/15/03/57/1071150357.db2.gz AKUYKPAEDXYFJB-HSZRJFAPSA-N 0 0 454.531 0.384 20 30 JCEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000750960475 1071150198 /nfs/dbraw/zinc/15/01/98/1071150198.db2.gz AKUYKPAEDXYFJB-QHCPKHFHSA-N 0 0 454.531 0.384 20 30 JCEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000750962345 1071150834 /nfs/dbraw/zinc/15/08/34/1071150834.db2.gz OLPRVVJYMLNRDG-HSZRJFAPSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000750962348 1071151000 /nfs/dbraw/zinc/15/10/00/1071151000.db2.gz OLPRVVJYMLNRDG-QHCPKHFHSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000750962806 1071151622 /nfs/dbraw/zinc/15/16/22/1071151622.db2.gz SBZYFYCZJFXICO-HSZRJFAPSA-N 0 0 499.524 0.997 20 30 JCEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000750962808 1071151790 /nfs/dbraw/zinc/15/17/90/1071151790.db2.gz SBZYFYCZJFXICO-QHCPKHFHSA-N 0 0 499.524 0.997 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000750964208 1071152530 /nfs/dbraw/zinc/15/25/30/1071152530.db2.gz ZIMGGOCVQUPYEX-HSZRJFAPSA-N 0 0 473.497 0.351 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000750964215 1071152620 /nfs/dbraw/zinc/15/26/20/1071152620.db2.gz ZIMGGOCVQUPYEX-QHCPKHFHSA-N 0 0 473.497 0.351 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000751194350 1071159934 /nfs/dbraw/zinc/15/99/34/1071159934.db2.gz OWZHZEYJIOWETK-UHFFFAOYSA-N 0 0 453.484 0.272 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 ZINC000751303956 1071160497 /nfs/dbraw/zinc/16/04/97/1071160497.db2.gz GIWIHNQIDFXAFS-UHFFFAOYSA-N 0 0 461.567 0.910 20 30 JCEDRN NC(=O)c1cccnc1N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000751387898 1071163772 /nfs/dbraw/zinc/16/37/72/1071163772.db2.gz HXPFYLAIUPLYDC-UHFFFAOYSA-N 0 0 456.528 0.348 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000751387923 1071163869 /nfs/dbraw/zinc/16/38/69/1071163869.db2.gz JBVBNKBCGGRKQZ-GOSISDBHSA-N 0 0 484.582 0.983 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000751387924 1071163748 /nfs/dbraw/zinc/16/37/48/1071163748.db2.gz JBVBNKBCGGRKQZ-SFHVURJKSA-N 0 0 484.582 0.983 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000751398219 1071164394 /nfs/dbraw/zinc/16/43/94/1071164394.db2.gz BEAACMHLHXMGJQ-KRWDZBQOSA-N 0 0 471.539 0.994 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000751398220 1071164526 /nfs/dbraw/zinc/16/45/26/1071164526.db2.gz BEAACMHLHXMGJQ-QGZVFWFLSA-N 0 0 471.539 0.994 20 30 JCEDRN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000752320900 1071166265 /nfs/dbraw/zinc/16/62/65/1071166265.db2.gz KZMNAICVYRSHBB-NRFANRHFSA-N 0 0 455.496 0.811 20 30 JCEDRN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000752320921 1071165872 /nfs/dbraw/zinc/16/58/72/1071165872.db2.gz KZMNAICVYRSHBB-OAQYLSRUSA-N 0 0 455.496 0.811 20 30 JCEDRN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000753146244 1071171162 /nfs/dbraw/zinc/17/11/62/1071171162.db2.gz GQZCQAYOPWBOLE-UHFFFAOYSA-N 0 0 485.565 0.416 20 30 JCEDRN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000753148499 1071171294 /nfs/dbraw/zinc/17/12/94/1071171294.db2.gz OFLITLRQQNMQMP-UHFFFAOYSA-N 0 0 479.536 0.354 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000753148884 1071171359 /nfs/dbraw/zinc/17/13/59/1071171359.db2.gz RTOMQAHRTZEXEJ-UHFFFAOYSA-N 0 0 462.459 0.427 20 30 JCEDRN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)s1 ZINC000753419120 1071173031 /nfs/dbraw/zinc/17/30/31/1071173031.db2.gz JDOGWSSEGWIAKQ-UHFFFAOYSA-N 0 0 485.565 0.416 20 30 JCEDRN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000753420480 1071173015 /nfs/dbraw/zinc/17/30/15/1071173015.db2.gz RWKSFUZAEBWUET-UHFFFAOYSA-N 0 0 479.536 0.354 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000753421069 1071172843 /nfs/dbraw/zinc/17/28/43/1071172843.db2.gz XCZQMOXJGWPJMX-UHFFFAOYSA-N 0 0 462.459 0.427 20 30 JCEDRN Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000753616492 1071178753 /nfs/dbraw/zinc/17/87/53/1071178753.db2.gz LEUDYKIMEIQCRK-UHFFFAOYSA-N 0 0 473.511 0.168 20 30 JCEDRN N#Cc1ccc(NC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl ZINC000753640795 1071181585 /nfs/dbraw/zinc/18/15/85/1071181585.db2.gz PYUARUMDGPEMIS-CYBMUJFWSA-N 0 0 452.876 0.859 20 30 JCEDRN N#Cc1ccc(NC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl ZINC000753640799 1071181336 /nfs/dbraw/zinc/18/13/36/1071181336.db2.gz PYUARUMDGPEMIS-ZDUSSCGKSA-N 0 0 452.876 0.859 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000753642924 1071181269 /nfs/dbraw/zinc/18/12/69/1071181269.db2.gz FKXKLOYDWHFCHV-UHFFFAOYSA-N 0 0 459.480 0.333 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)c1 ZINC000753643686 1071182335 /nfs/dbraw/zinc/18/23/35/1071182335.db2.gz DSMNJILMUULZDH-HNNXBMFYSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)c1 ZINC000753643690 1071182360 /nfs/dbraw/zinc/18/23/60/1071182360.db2.gz DSMNJILMUULZDH-OAHLLOKOSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1 ZINC000753653441 1071182842 /nfs/dbraw/zinc/18/28/42/1071182842.db2.gz HHQXEQQTWLYSGU-UHFFFAOYSA-N 0 0 478.548 0.730 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000753656096 1071184967 /nfs/dbraw/zinc/18/49/67/1071184967.db2.gz XCSNWJRTGFBVJO-INIZCTEOSA-N 0 0 473.507 0.721 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000753656100 1071185027 /nfs/dbraw/zinc/18/50/27/1071185027.db2.gz XCSNWJRTGFBVJO-MRXNPFEDSA-N 0 0 473.507 0.721 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1 ZINC000753656729 1071184719 /nfs/dbraw/zinc/18/47/19/1071184719.db2.gz FJPBTSWCLCFBTG-UHFFFAOYSA-N 0 0 479.536 0.610 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000753658017 1071184859 /nfs/dbraw/zinc/18/48/59/1071184859.db2.gz KKKLRTTUHSLUEC-UHFFFAOYSA-N 0 0 465.434 0.788 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCN(C(=O)OCC)CC2)c1 ZINC000753658217 1071184791 /nfs/dbraw/zinc/18/47/91/1071184791.db2.gz OGNIJWRQYORATJ-UHFFFAOYSA-N 0 0 451.501 0.492 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)c1 ZINC000753658848 1071185006 /nfs/dbraw/zinc/18/50/06/1071185006.db2.gz QHWRHJORGRKGQN-HSZRJFAPSA-N 0 0 498.517 0.643 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)c1 ZINC000753658849 1071184645 /nfs/dbraw/zinc/18/46/45/1071184645.db2.gz QHWRHJORGRKGQN-QHCPKHFHSA-N 0 0 498.517 0.643 20 30 JCEDRN N#CCSc1ccccc1NC(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000753667922 1071186622 /nfs/dbraw/zinc/18/66/22/1071186622.db2.gz XDGUGOKJYUFPRW-CYBMUJFWSA-N 0 0 464.525 0.949 20 30 JCEDRN N#CCSc1ccccc1NC(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000753667927 1071186374 /nfs/dbraw/zinc/18/63/74/1071186374.db2.gz XDGUGOKJYUFPRW-ZDUSSCGKSA-N 0 0 464.525 0.949 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 ZINC000753818536 1071188467 /nfs/dbraw/zinc/18/84/67/1071188467.db2.gz SLMQCNULJHWWLF-UHFFFAOYSA-N 0 0 462.459 0.427 20 30 JCEDRN Cn1c2ncn(CC(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000754802852 1071194685 /nfs/dbraw/zinc/19/46/85/1071194685.db2.gz ADVDTGCEINHGEY-UHFFFAOYSA-N 0 0 458.862 0.577 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000754803265 1071194781 /nfs/dbraw/zinc/19/47/81/1071194781.db2.gz HGFIPMGYNGYUTK-UHFFFAOYSA-N 0 0 468.470 0.322 20 30 JCEDRN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000754809166 1071195508 /nfs/dbraw/zinc/19/55/08/1071195508.db2.gz DCFHQKPHHUOFCD-UHFFFAOYSA-N 0 0 452.471 0.541 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccnc2N2CCOCC2)CC1 ZINC000755316035 1071197209 /nfs/dbraw/zinc/19/72/09/1071197209.db2.gz UGVOBWPAWSDZDY-UHFFFAOYSA-N 0 0 499.549 0.480 20 30 JCEDRN Cn1c(N)c(C(=O)COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)c(=O)n(C)c1=O ZINC000756281072 1071199549 /nfs/dbraw/zinc/19/95/49/1071199549.db2.gz HOTVOWPXKJZCDP-BQYQJAHWSA-N 0 0 454.361 0.763 20 30 JCEDRN Cn1c(N)c(C(=O)COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)c(=O)n(C)c1=O ZINC000756281076 1071199600 /nfs/dbraw/zinc/19/96/00/1071199600.db2.gz HOTVOWPXKJZCDP-FPLPWBNLSA-N 0 0 454.361 0.763 20 30 JCEDRN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000756769577 1071202479 /nfs/dbraw/zinc/20/24/79/1071202479.db2.gz GJJKRNBBJRLWJL-NRFANRHFSA-N 0 0 471.495 0.451 20 30 JCEDRN C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000756769592 1071202743 /nfs/dbraw/zinc/20/27/43/1071202743.db2.gz GJJKRNBBJRLWJL-OAQYLSRUSA-N 0 0 471.495 0.451 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccc2OCC(N)=O)CC1 ZINC000757796466 1071206354 /nfs/dbraw/zinc/20/63/54/1071206354.db2.gz BCMGHINWUVLBFL-UHFFFAOYSA-N 0 0 486.506 0.112 20 30 JCEDRN CC(=O)c1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)c1 ZINC000757846908 1071206948 /nfs/dbraw/zinc/20/69/48/1071206948.db2.gz FQKCSGKDJNRWKD-UHFFFAOYSA-N 0 0 458.496 0.789 20 30 JCEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000758242828 1071207978 /nfs/dbraw/zinc/20/79/78/1071207978.db2.gz QJHZIOBJHMIQID-HSZRJFAPSA-N 0 0 481.534 0.858 20 30 JCEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000758242903 1071207942 /nfs/dbraw/zinc/20/79/42/1071207942.db2.gz QJHZIOBJHMIQID-QHCPKHFHSA-N 0 0 481.534 0.858 20 30 JCEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000758310315 1071207879 /nfs/dbraw/zinc/20/78/79/1071207879.db2.gz DDGSQMONDJURMW-HSZRJFAPSA-N 0 0 497.533 0.985 20 30 JCEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000758310488 1071208249 /nfs/dbraw/zinc/20/82/49/1071208249.db2.gz DDGSQMONDJURMW-QHCPKHFHSA-N 0 0 497.533 0.985 20 30 JCEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000758311358 1071208084 /nfs/dbraw/zinc/20/80/84/1071208084.db2.gz LQXTXLPJJDFRMM-HSZRJFAPSA-N 0 0 497.533 0.985 20 30 JCEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000758311360 1071207831 /nfs/dbraw/zinc/20/78/31/1071207831.db2.gz LQXTXLPJJDFRMM-QHCPKHFHSA-N 0 0 497.533 0.985 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000758648464 1071208787 /nfs/dbraw/zinc/20/87/87/1071208787.db2.gz HFXDZQBNSQSETO-UHFFFAOYSA-N 0 0 470.979 0.421 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)CC1 ZINC000758650235 1071208674 /nfs/dbraw/zinc/20/86/74/1071208674.db2.gz PPNJWLZXEDBXIX-UHFFFAOYSA-N 0 0 498.049 0.726 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000758656653 1071209743 /nfs/dbraw/zinc/20/97/43/1071209743.db2.gz BMVVWCUPRCVYQN-GOSISDBHSA-N 0 0 461.588 0.586 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000758656654 1071209857 /nfs/dbraw/zinc/20/98/57/1071209857.db2.gz BMVVWCUPRCVYQN-SFHVURJKSA-N 0 0 461.588 0.586 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000760371638 1070019354 /nfs/dbraw/zinc/01/93/54/1070019354.db2.gz AJBKKNYVWQWBAO-INIZCTEOSA-N 0 0 451.501 0.837 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000760371665 1070019472 /nfs/dbraw/zinc/01/94/72/1070019472.db2.gz AJBKKNYVWQWBAO-MRXNPFEDSA-N 0 0 451.501 0.837 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000760632692 1070333921 /nfs/dbraw/zinc/33/39/21/1070333921.db2.gz MCWHMFVZYZPTKR-UHFFFAOYSA-N 0 0 467.525 0.709 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000760634848 1070343742 /nfs/dbraw/zinc/34/37/42/1070343742.db2.gz YHYRNBNRTWIQBU-UHFFFAOYSA-N 0 0 485.522 0.756 20 30 JCEDRN C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)NC1(C#N)CCCCC1 ZINC000760728207 1070519196 /nfs/dbraw/zinc/51/91/96/1070519196.db2.gz XXRHCQXNRDBBQC-HNNXBMFYSA-N 0 0 452.533 0.934 20 30 JCEDRN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)NC1(C#N)CCCCC1 ZINC000760728208 1070519108 /nfs/dbraw/zinc/51/91/08/1070519108.db2.gz XXRHCQXNRDBBQC-OAHLLOKOSA-N 0 0 452.533 0.934 20 30 JCEDRN CN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1(C#N)CCCCC1 ZINC000760735521 1070525787 /nfs/dbraw/zinc/52/57/87/1070525787.db2.gz DJIOOKOVSIMLHP-UHFFFAOYSA-N 0 0 452.533 0.888 20 30 JCEDRN Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000761024281 1070710122 /nfs/dbraw/zinc/71/01/22/1070710122.db2.gz IASFUBFTKMLVFP-UHFFFAOYSA-N 0 0 461.456 0.495 20 30 JCEDRN Cn1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000761051864 1070722319 /nfs/dbraw/zinc/72/23/19/1070722319.db2.gz DITIQWRSODGOEB-UHFFFAOYSA-N 0 0 461.456 0.495 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000761128625 1070745307 /nfs/dbraw/zinc/74/53/07/1070745307.db2.gz DNVNZOVDIWNXCI-UHFFFAOYSA-N 0 0 481.552 0.988 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000761129777 1070745242 /nfs/dbraw/zinc/74/52/42/1070745242.db2.gz KYVHAPHWUWKYSE-UHFFFAOYSA-N 0 0 467.525 0.709 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000761130222 1070745295 /nfs/dbraw/zinc/74/52/95/1070745295.db2.gz PENPCJYEDYEXPA-UHFFFAOYSA-N 0 0 485.522 0.756 20 30 JCEDRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000761727726 1067846818 /nfs/dbraw/zinc/84/68/18/1067846818.db2.gz OHNSVTZESUBSEN-CYBMUJFWSA-N 0 0 450.542 0.982 20 30 JCEDRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000761727727 1067846731 /nfs/dbraw/zinc/84/67/31/1067846731.db2.gz OHNSVTZESUBSEN-ZDUSSCGKSA-N 0 0 450.542 0.982 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000761773824 1067852410 /nfs/dbraw/zinc/85/24/10/1067852410.db2.gz XWVCXKRAJUDUMK-UHFFFAOYSA-N 0 0 476.515 0.465 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000762918520 1068018358 /nfs/dbraw/zinc/01/83/58/1068018358.db2.gz UNVARNUBUAJUBM-UHFFFAOYSA-N 0 0 490.332 0.639 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2OC(F)(F)F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000763249577 1068068736 /nfs/dbraw/zinc/06/87/36/1068068736.db2.gz DIPUHHLRZFJQHQ-UHFFFAOYSA-N 0 0 483.468 0.817 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CCOC ZINC000763250284 1068068801 /nfs/dbraw/zinc/06/88/01/1068068801.db2.gz LABDVFVOBHOVRL-UHFFFAOYSA-N 0 0 471.457 0.720 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000763275670 1068069833 /nfs/dbraw/zinc/06/98/33/1068069833.db2.gz LTMCJEGAEIUGKR-UHFFFAOYSA-N 0 0 475.527 0.992 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000763708923 1069220733 /nfs/dbraw/zinc/22/07/33/1069220733.db2.gz KYRDAIUDVPTQJQ-UHFFFAOYSA-N 0 0 485.522 0.756 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000763711111 1069220705 /nfs/dbraw/zinc/22/07/05/1069220705.db2.gz SHRCWADJDWIIBB-UHFFFAOYSA-N 0 0 467.525 0.709 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000765959129 1069490215 /nfs/dbraw/zinc/49/02/15/1069490215.db2.gz PZEAWITUUGQHSM-FQEVSTJZSA-N 0 0 451.501 0.868 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000765959132 1069490065 /nfs/dbraw/zinc/49/00/65/1069490065.db2.gz PZEAWITUUGQHSM-HXUWFJFHSA-N 0 0 451.501 0.868 20 30 JCEDRN CC(N=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc(C(N)=O)n(C)c1 ZINC000767029300 1070007046 /nfs/dbraw/zinc/00/70/46/1070007046.db2.gz NMYCJTGFLUQNCH-UHFFFAOYSA-N 0 0 450.477 0.889 20 30 JCEDRN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cc(C(N)=O)n(C)c1 ZINC000767033618 1070008043 /nfs/dbraw/zinc/00/80/43/1070008043.db2.gz PHKJVIHXLBHRHT-UHFFFAOYSA-N 0 0 450.477 0.889 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br ZINC000768255356 1070022333 /nfs/dbraw/zinc/02/23/33/1070022333.db2.gz CSZIZBPCKUMSMW-UHFFFAOYSA-N 0 0 478.321 0.542 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)N3CCN(C(C)=O)CC3)n2c2ccccc2c1=O ZINC000768752475 1070024397 /nfs/dbraw/zinc/02/43/97/1070024397.db2.gz XZMBORHEVKNMQD-UHFFFAOYSA-N 0 0 484.538 0.556 20 30 JCEDRN Cc1cc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)n(-c2nc(C)cc(C)n2)n1 ZINC000769168536 1070024271 /nfs/dbraw/zinc/02/42/71/1070024271.db2.gz BLWMULWLSQPUEP-UHFFFAOYSA-N 0 0 483.510 0.919 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000769169553 1070024243 /nfs/dbraw/zinc/02/42/43/1070024243.db2.gz GWHWBUBJJHSYAW-GOSISDBHSA-N 0 0 489.531 0.724 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000769169554 1070024122 /nfs/dbraw/zinc/02/41/22/1070024122.db2.gz GWHWBUBJJHSYAW-SFHVURJKSA-N 0 0 489.531 0.724 20 30 JCEDRN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000769175509 1070024444 /nfs/dbraw/zinc/02/44/44/1070024444.db2.gz ZFQFQOCIDOJYBX-UHFFFAOYSA-N 0 0 458.496 0.785 20 30 JCEDRN Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1S(=O)(=O)N(C)C ZINC000769185791 1070024735 /nfs/dbraw/zinc/02/47/35/1070024735.db2.gz WAQKKXRJGPROHW-UHFFFAOYSA-N 0 0 494.551 0.577 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769187384 1070024704 /nfs/dbraw/zinc/02/47/04/1070024704.db2.gz VKUWDEKGEYVJPM-UHFFFAOYSA-N 0 0 487.494 0.637 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000769194897 1070024210 /nfs/dbraw/zinc/02/42/10/1070024210.db2.gz PDYKVPPGLLMDFO-UHFFFAOYSA-N 0 0 462.509 0.668 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769205801 1070024683 /nfs/dbraw/zinc/02/46/83/1070024683.db2.gz OXTDSHNZEOJZQY-HNNXBMFYSA-N 0 0 474.495 0.346 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769205809 1070024948 /nfs/dbraw/zinc/02/49/48/1070024948.db2.gz OXTDSHNZEOJZQY-OAHLLOKOSA-N 0 0 474.495 0.346 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000769206064 1070024890 /nfs/dbraw/zinc/02/48/90/1070024890.db2.gz OOVAZHARCMFOCT-AWEZNQCLSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000769206067 1070024720 /nfs/dbraw/zinc/02/47/20/1070024720.db2.gz OOVAZHARCMFOCT-CQSZACIVSA-N 0 0 451.501 0.570 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 ZINC000769207148 1070024916 /nfs/dbraw/zinc/02/49/16/1070024916.db2.gz PODCYXRWUXBFKB-UHFFFAOYSA-N 0 0 467.406 0.938 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 ZINC000769210875 1070024759 /nfs/dbraw/zinc/02/47/59/1070024759.db2.gz BMFAEOHTSRJTDQ-UHFFFAOYSA-N 0 0 480.524 0.269 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000769212636 1070024900 /nfs/dbraw/zinc/02/49/00/1070024900.db2.gz NZJYUUZYMQZPHL-GOSISDBHSA-N 0 0 497.595 0.728 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000769212637 1070024827 /nfs/dbraw/zinc/02/48/27/1070024827.db2.gz NZJYUUZYMQZPHL-SFHVURJKSA-N 0 0 497.595 0.728 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000769213883 1070024879 /nfs/dbraw/zinc/02/48/79/1070024879.db2.gz SXFIOAZFQZRNNM-UHFFFAOYSA-N 0 0 458.496 0.855 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000769213976 1070024794 /nfs/dbraw/zinc/02/47/94/1070024794.db2.gz AIHRBFMSGUGOOQ-AWEZNQCLSA-N 0 0 494.551 0.657 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000769213979 1070024855 /nfs/dbraw/zinc/02/48/55/1070024855.db2.gz AIHRBFMSGUGOOQ-CQSZACIVSA-N 0 0 494.551 0.657 20 30 JCEDRN COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000769215358 1070024653 /nfs/dbraw/zinc/02/46/53/1070024653.db2.gz JDQDBUIZHVJTMS-UHFFFAOYSA-N 0 0 472.523 0.737 20 30 JCEDRN CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000769215934 1070024813 /nfs/dbraw/zinc/02/48/13/1070024813.db2.gz NSGWSVNHQYRUQW-INIZCTEOSA-N 0 0 471.557 0.196 20 30 JCEDRN CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000769215935 1070024777 /nfs/dbraw/zinc/02/47/77/1070024777.db2.gz NSGWSVNHQYRUQW-MRXNPFEDSA-N 0 0 471.557 0.196 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000769215984 1070024957 /nfs/dbraw/zinc/02/49/57/1070024957.db2.gz DGLOZSVVBQXMOQ-LLVKDONJSA-N 0 0 498.439 0.940 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000769215985 1070024940 /nfs/dbraw/zinc/02/49/40/1070024940.db2.gz DGLOZSVVBQXMOQ-NSHDSACASA-N 0 0 498.439 0.940 20 30 JCEDRN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N ZINC000769216124 1070025456 /nfs/dbraw/zinc/02/54/56/1070025456.db2.gz GNSRALQESNDQFO-UHFFFAOYSA-N 0 0 474.495 0.452 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000769216289 1070024964 /nfs/dbraw/zinc/02/49/64/1070024964.db2.gz PKHHNBIEBQEZMA-INIZCTEOSA-N 0 0 471.557 0.051 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000769216292 1070024842 /nfs/dbraw/zinc/02/48/42/1070024842.db2.gz PKHHNBIEBQEZMA-MRXNPFEDSA-N 0 0 471.557 0.051 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000769217222 1070025532 /nfs/dbraw/zinc/02/55/32/1070025532.db2.gz WHJUWOAMUVQUPF-UHFFFAOYSA-N 0 0 460.487 0.868 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000769218635 1070025474 /nfs/dbraw/zinc/02/54/74/1070025474.db2.gz WHMGPJQFPALUIY-UHFFFAOYSA-N 0 0 456.480 0.911 20 30 JCEDRN C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769239509 1070025303 /nfs/dbraw/zinc/02/53/03/1070025303.db2.gz HAJGTWFZMRWLNL-HNNXBMFYSA-N 0 0 488.522 0.625 20 30 JCEDRN C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769239519 1070025552 /nfs/dbraw/zinc/02/55/52/1070025552.db2.gz HAJGTWFZMRWLNL-OAHLLOKOSA-N 0 0 488.522 0.625 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769250442 1070025432 /nfs/dbraw/zinc/02/54/32/1070025432.db2.gz DARCQUSBAXRAPB-UHFFFAOYSA-N 0 0 474.495 0.236 20 30 JCEDRN Cc1cc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n(-c2nc(C)cc(C)n2)n1 ZINC000769631994 1070026275 /nfs/dbraw/zinc/02/62/75/1070026275.db2.gz BKTWOVHVUWXICC-UHFFFAOYSA-N 0 0 483.510 0.919 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000769632649 1070026031 /nfs/dbraw/zinc/02/60/31/1070026031.db2.gz FJBBDIVCWDRJMG-UHFFFAOYSA-N 0 0 487.494 0.637 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000769634681 1070026163 /nfs/dbraw/zinc/02/61/63/1070026163.db2.gz UIALTLKSERIYNW-GOSISDBHSA-N 0 0 489.531 0.724 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000769634682 1070025916 /nfs/dbraw/zinc/02/59/16/1070025916.db2.gz UIALTLKSERIYNW-SFHVURJKSA-N 0 0 489.531 0.724 20 30 JCEDRN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000769635156 1070026175 /nfs/dbraw/zinc/02/61/75/1070026175.db2.gz ZAVWQGCKXPKWSL-UHFFFAOYSA-N 0 0 458.496 0.785 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000769639163 1070025938 /nfs/dbraw/zinc/02/59/38/1070025938.db2.gz JJZRTGJZMSJQEE-UHFFFAOYSA-N 0 0 462.509 0.668 20 30 JCEDRN Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C ZINC000769639283 1070026059 /nfs/dbraw/zinc/02/60/59/1070026059.db2.gz GGWSKYXDYHWZAF-UHFFFAOYSA-N 0 0 494.551 0.577 20 30 JCEDRN COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000769639856 1070026291 /nfs/dbraw/zinc/02/62/91/1070026291.db2.gz AIIBOVLNIOUHMF-UHFFFAOYSA-N 0 0 472.523 0.737 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000769639881 1070026095 /nfs/dbraw/zinc/02/60/95/1070026095.db2.gz AULWQQPSPKNSHN-AWEZNQCLSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000769639883 1070026009 /nfs/dbraw/zinc/02/60/09/1070026009.db2.gz AULWQQPSPKNSHN-CQSZACIVSA-N 0 0 451.501 0.570 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000769639964 1070026196 /nfs/dbraw/zinc/02/61/96/1070026196.db2.gz CLJKFQQXJVPMBX-AWEZNQCLSA-N 0 0 494.551 0.657 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000769639967 1070026078 /nfs/dbraw/zinc/02/60/78/1070026078.db2.gz CLJKFQQXJVPMBX-CQSZACIVSA-N 0 0 494.551 0.657 20 30 JCEDRN CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000769640894 1070025967 /nfs/dbraw/zinc/02/59/67/1070025967.db2.gz LHYWLIQCASMENP-INIZCTEOSA-N 0 0 471.557 0.196 20 30 JCEDRN CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000769640903 1070026263 /nfs/dbraw/zinc/02/62/63/1070026263.db2.gz LHYWLIQCASMENP-MRXNPFEDSA-N 0 0 471.557 0.196 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000769641408 1070026141 /nfs/dbraw/zinc/02/61/41/1070026141.db2.gz OGRKEUFECWEXMV-INIZCTEOSA-N 0 0 471.557 0.051 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000769641410 1070026119 /nfs/dbraw/zinc/02/61/19/1070026119.db2.gz OGRKEUFECWEXMV-MRXNPFEDSA-N 0 0 471.557 0.051 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)cc1 ZINC000769641691 1070026926 /nfs/dbraw/zinc/02/69/26/1070026926.db2.gz FXPGOCFHXQGMJR-GOSISDBHSA-N 0 0 497.595 0.728 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)cc1 ZINC000769641693 1070026571 /nfs/dbraw/zinc/02/65/71/1070026571.db2.gz FXPGOCFHXQGMJR-SFHVURJKSA-N 0 0 497.595 0.728 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000769642703 1070026960 /nfs/dbraw/zinc/02/69/60/1070026960.db2.gz YYSSPJSUQIUIGW-UHFFFAOYSA-N 0 0 460.487 0.868 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000769643187 1070026719 /nfs/dbraw/zinc/02/67/19/1070026719.db2.gz ZGSGMZFOCNBWSP-UHFFFAOYSA-N 0 0 480.524 0.269 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000769643195 1070026831 /nfs/dbraw/zinc/02/68/31/1070026831.db2.gz ZISSZLCLTABBKD-UHFFFAOYSA-N 0 0 458.496 0.855 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000769643815 1070026876 /nfs/dbraw/zinc/02/68/76/1070026876.db2.gz RFPFTTQFAXCJOQ-UHFFFAOYSA-N 0 0 467.406 0.938 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769644450 1070026946 /nfs/dbraw/zinc/02/69/46/1070026946.db2.gz VFLCDBJLKFLLGK-HNNXBMFYSA-N 0 0 474.495 0.346 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769644451 1070026806 /nfs/dbraw/zinc/02/68/06/1070026806.db2.gz VFLCDBJLKFLLGK-OAHLLOKOSA-N 0 0 474.495 0.346 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000769644956 1070026785 /nfs/dbraw/zinc/02/67/85/1070026785.db2.gz KHPXRNXJKMQDIK-LLVKDONJSA-N 0 0 498.439 0.940 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000769644958 1070026910 /nfs/dbraw/zinc/02/69/10/1070026910.db2.gz KHPXRNXJKMQDIK-NSHDSACASA-N 0 0 498.439 0.940 20 30 JCEDRN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000769645437 1070026658 /nfs/dbraw/zinc/02/66/58/1070026658.db2.gz MOBPGQLTWPCSCV-UHFFFAOYSA-N 0 0 474.495 0.452 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769666673 1070026991 /nfs/dbraw/zinc/02/69/91/1070026991.db2.gz DAAUBFLCBZCSMC-UHFFFAOYSA-N 0 0 488.522 0.626 20 30 JCEDRN Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C ZINC000769725279 1070027680 /nfs/dbraw/zinc/02/76/80/1070027680.db2.gz DNWXOHXMDQWCJV-UHFFFAOYSA-N 0 0 494.551 0.577 20 30 JCEDRN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000769725827 1070027432 /nfs/dbraw/zinc/02/74/32/1070027432.db2.gz GBQHMZNYSOHVJC-UHFFFAOYSA-N 0 0 458.496 0.785 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000769726101 1070027352 /nfs/dbraw/zinc/02/73/52/1070027352.db2.gz IBRZYLVWUGKVIN-UHFFFAOYSA-N 0 0 487.494 0.637 20 30 JCEDRN Cc1cc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n(-c2nc(C)cc(C)n2)n1 ZINC000769726618 1070027600 /nfs/dbraw/zinc/02/76/00/1070027600.db2.gz IUOPNOTYXJBTBS-UHFFFAOYSA-N 0 0 483.510 0.919 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000769746788 1070027480 /nfs/dbraw/zinc/02/74/80/1070027480.db2.gz NPKNZPGZFSRECH-UHFFFAOYSA-N 0 0 462.509 0.668 20 30 JCEDRN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000769773583 1070027664 /nfs/dbraw/zinc/02/76/64/1070027664.db2.gz GXHUFBOOMSXYIK-NRFANRHFSA-N 0 0 455.496 0.811 20 30 JCEDRN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000769773585 1070027454 /nfs/dbraw/zinc/02/74/54/1070027454.db2.gz GXHUFBOOMSXYIK-OAQYLSRUSA-N 0 0 455.496 0.811 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769777085 1070027328 /nfs/dbraw/zinc/02/73/28/1070027328.db2.gz JPLALDIPTKBDTL-HNNXBMFYSA-N 0 0 474.495 0.346 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000769777088 1070027616 /nfs/dbraw/zinc/02/76/16/1070027616.db2.gz JPLALDIPTKBDTL-OAHLLOKOSA-N 0 0 474.495 0.346 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000769780490 1070027649 /nfs/dbraw/zinc/02/76/49/1070027649.db2.gz QQRYYMLJAGQLNI-AWEZNQCLSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000769780491 1070027408 /nfs/dbraw/zinc/02/74/08/1070027408.db2.gz QQRYYMLJAGQLNI-CQSZACIVSA-N 0 0 451.501 0.570 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000769780877 1070027242 /nfs/dbraw/zinc/02/72/42/1070027242.db2.gz GCGUWRCUHQNYRN-UHFFFAOYSA-N 0 0 467.406 0.938 20 30 JCEDRN CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000769792309 1070027583 /nfs/dbraw/zinc/02/75/83/1070027583.db2.gz HIVUCEVQJGRCFU-INIZCTEOSA-N 0 0 471.557 0.196 20 30 JCEDRN CCCCN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000769792310 1070027544 /nfs/dbraw/zinc/02/75/44/1070027544.db2.gz HIVUCEVQJGRCFU-MRXNPFEDSA-N 0 0 471.557 0.196 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000769792748 1070027564 /nfs/dbraw/zinc/02/75/64/1070027564.db2.gz KCHNCGCKQOHHTG-INIZCTEOSA-N 0 0 471.557 0.051 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000769792749 1070027632 /nfs/dbraw/zinc/02/76/32/1070027632.db2.gz KCHNCGCKQOHHTG-MRXNPFEDSA-N 0 0 471.557 0.051 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000769805351 1070027504 /nfs/dbraw/zinc/02/75/04/1070027504.db2.gz XQXQXLAZXRGCHV-AWEZNQCLSA-N 0 0 494.551 0.657 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000769805362 1070027378 /nfs/dbraw/zinc/02/73/78/1070027378.db2.gz XQXQXLAZXRGCHV-CQSZACIVSA-N 0 0 494.551 0.657 20 30 JCEDRN COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000769807997 1070028169 /nfs/dbraw/zinc/02/81/69/1070028169.db2.gz GEMZQUAFFIHCMF-UHFFFAOYSA-N 0 0 472.523 0.737 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000769808372 1070027945 /nfs/dbraw/zinc/02/79/45/1070027945.db2.gz NQNIPAGNJNBJIZ-UHFFFAOYSA-N 0 0 460.487 0.868 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000769829689 1070028242 /nfs/dbraw/zinc/02/82/42/1070028242.db2.gz IKTKCMGGTGGYHO-UHFFFAOYSA-N 0 0 480.524 0.269 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000769830558 1070028351 /nfs/dbraw/zinc/02/83/51/1070028351.db2.gz RKKJTQUDKFIYQW-UHFFFAOYSA-N 0 0 458.496 0.855 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)c1 ZINC000769842679 1070028297 /nfs/dbraw/zinc/02/82/97/1070028297.db2.gz HFNIULQZMHHNML-GOSISDBHSA-N 0 0 497.595 0.728 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)c1 ZINC000769842681 1070028308 /nfs/dbraw/zinc/02/83/08/1070028308.db2.gz HFNIULQZMHHNML-SFHVURJKSA-N 0 0 497.595 0.728 20 30 JCEDRN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000769842870 1070027897 /nfs/dbraw/zinc/02/78/97/1070027897.db2.gz LCMSRNVEVIBUJM-UHFFFAOYSA-N 0 0 474.495 0.452 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000769843408 1070028002 /nfs/dbraw/zinc/02/80/02/1070028002.db2.gz PLLAGCWYWINCHU-LLVKDONJSA-N 0 0 498.439 0.940 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000769843409 1070028282 /nfs/dbraw/zinc/02/82/82/1070028282.db2.gz PLLAGCWYWINCHU-NSHDSACASA-N 0 0 498.439 0.940 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 ZINC000769844032 1070028364 /nfs/dbraw/zinc/02/83/64/1070028364.db2.gz VSTQUGAJCWFLDD-UHFFFAOYSA-N 0 0 456.480 0.911 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000771193156 1070031204 /nfs/dbraw/zinc/03/12/04/1070031204.db2.gz XQRGHRDJSLTAAG-DOTOQJQBSA-N 0 0 468.919 0.663 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000771193179 1070031055 /nfs/dbraw/zinc/03/10/55/1070031055.db2.gz XQRGHRDJSLTAAG-NVXWUHKLSA-N 0 0 468.919 0.663 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000771193186 1070031006 /nfs/dbraw/zinc/03/10/06/1070031006.db2.gz XQRGHRDJSLTAAG-RDJZCZTQSA-N 0 0 468.919 0.663 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000771193192 1070031237 /nfs/dbraw/zinc/03/12/37/1070031237.db2.gz XQRGHRDJSLTAAG-WBVHZDCISA-N 0 0 468.919 0.663 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000771807234 1070034946 /nfs/dbraw/zinc/03/49/46/1070034946.db2.gz LBPSBTLRQWGJPZ-PBHICJAKSA-N 0 0 476.349 0.686 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000771807639 1070035356 /nfs/dbraw/zinc/03/53/56/1070035356.db2.gz LBPSBTLRQWGJPZ-RHSMWYFYSA-N 0 0 476.349 0.686 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000771807641 1070035814 /nfs/dbraw/zinc/03/58/14/1070035814.db2.gz LBPSBTLRQWGJPZ-WMLDXEAASA-N 0 0 476.349 0.686 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000771807644 1070035930 /nfs/dbraw/zinc/03/59/30/1070035930.db2.gz LBPSBTLRQWGJPZ-YOEHRIQHSA-N 0 0 476.349 0.686 20 30 JCEDRN N#CC1(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)CCCCC1 ZINC000771817563 1070035708 /nfs/dbraw/zinc/03/57/08/1070035708.db2.gz ADMKNJSEZHRHNI-HNNXBMFYSA-N 0 0 488.360 0.974 20 30 JCEDRN N#CC1(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)CCCCC1 ZINC000771817568 1070035748 /nfs/dbraw/zinc/03/57/48/1070035748.db2.gz ADMKNJSEZHRHNI-OAHLLOKOSA-N 0 0 488.360 0.974 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000771823434 1070035729 /nfs/dbraw/zinc/03/57/29/1070035729.db2.gz BMOUNISURKYEPY-PBHICJAKSA-N 0 0 474.333 0.440 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000771823435 1070035836 /nfs/dbraw/zinc/03/58/36/1070035836.db2.gz BMOUNISURKYEPY-RHSMWYFYSA-N 0 0 474.333 0.440 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000771823436 1070035916 /nfs/dbraw/zinc/03/59/16/1070035916.db2.gz BMOUNISURKYEPY-WMLDXEAASA-N 0 0 474.333 0.440 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000771823437 1070035573 /nfs/dbraw/zinc/03/55/73/1070035573.db2.gz BMOUNISURKYEPY-YOEHRIQHSA-N 0 0 474.333 0.440 20 30 JCEDRN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)c1 ZINC000774878492 1068979561 /nfs/dbraw/zinc/97/95/61/1068979561.db2.gz BTXKXAPMMJSGLF-FQEVSTJZSA-N 0 0 457.468 0.344 20 30 JCEDRN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)c1 ZINC000774878515 1068978843 /nfs/dbraw/zinc/97/88/43/1068978843.db2.gz BTXKXAPMMJSGLF-HXUWFJFHSA-N 0 0 457.468 0.344 20 30 JCEDRN C=CCOC(=O)c1sc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(C(=O)OCC)c1C ZINC000774886765 1068986210 /nfs/dbraw/zinc/98/62/10/1068986210.db2.gz AWSXSSHCRXPYFV-UHFFFAOYSA-N 0 0 489.510 0.962 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c1 ZINC000774903370 1069007076 /nfs/dbraw/zinc/00/70/76/1069007076.db2.gz MPSQXIUWIGAYPC-NRFANRHFSA-N 0 0 456.480 0.719 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c1 ZINC000774903372 1069006813 /nfs/dbraw/zinc/00/68/13/1069006813.db2.gz MPSQXIUWIGAYPC-OAQYLSRUSA-N 0 0 456.480 0.719 20 30 JCEDRN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CCN=C3NS(=O)(=O)c4ccccc43)C2=O)c1 ZINC000774906812 1069017353 /nfs/dbraw/zinc/01/73/53/1069017353.db2.gz YNPDOIZJTBCCLY-NRFANRHFSA-N 0 0 471.495 0.622 20 30 JCEDRN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CCN=C3NS(=O)(=O)c4ccccc43)C2=O)c1 ZINC000774906813 1069017009 /nfs/dbraw/zinc/01/70/09/1069017009.db2.gz YNPDOIZJTBCCLY-OAQYLSRUSA-N 0 0 471.495 0.622 20 30 JCEDRN CC(=O)N1CCN(C(=O)COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000779348699 1070518761 /nfs/dbraw/zinc/51/87/61/1070518761.db2.gz XDQBYSZRERYSAW-KRWDZBQOSA-N 0 0 464.544 0.374 20 30 JCEDRN CC(=O)N1CCN(C(=O)COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000779348700 1070518886 /nfs/dbraw/zinc/51/88/86/1070518886.db2.gz XDQBYSZRERYSAW-QGZVFWFLSA-N 0 0 464.544 0.374 20 30 JCEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000779355158 1070518732 /nfs/dbraw/zinc/51/87/32/1070518732.db2.gz CNADFJGSNFLHEQ-DZGCQCFKSA-N 0 0 468.532 0.544 20 30 JCEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000779355165 1070518950 /nfs/dbraw/zinc/51/89/50/1070518950.db2.gz CNADFJGSNFLHEQ-ZFWWWQNUSA-N 0 0 468.532 0.544 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1=O ZINC000779894319 1070522670 /nfs/dbraw/zinc/52/26/70/1070522670.db2.gz FOXOGVJLGKJULA-UHFFFAOYSA-N 0 0 461.500 0.853 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(NC(=O)c3nn(C)c(=O)c4ccccc43)c2C)C1=O ZINC000779894599 1070522616 /nfs/dbraw/zinc/52/26/16/1070522616.db2.gz KKKZBMASWMAOTN-UHFFFAOYSA-N 0 0 490.476 0.895 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1cc(I)ccc1-n1cnnn1 ZINC000781970649 1071213702 /nfs/dbraw/zinc/21/37/02/1071213702.db2.gz MJXAQZWXDBFXRX-UHFFFAOYSA-N 0 0 456.200 0.436 20 30 JCEDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000783334854 1071215313 /nfs/dbraw/zinc/21/53/13/1071215313.db2.gz RZNXNQHTHNLEHX-INIZCTEOSA-N 0 0 498.627 0.437 20 30 JCEDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000783334889 1071215000 /nfs/dbraw/zinc/21/50/00/1071215000.db2.gz RZNXNQHTHNLEHX-MRXNPFEDSA-N 0 0 498.627 0.437 20 30 JCEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O ZINC000784817316 1071218993 /nfs/dbraw/zinc/21/89/93/1071218993.db2.gz ZRONEOCNHVYZDO-NRFANRHFSA-N 0 0 461.523 0.526 20 30 JCEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O ZINC000784817325 1071218836 /nfs/dbraw/zinc/21/88/36/1071218836.db2.gz ZRONEOCNHVYZDO-OAQYLSRUSA-N 0 0 461.523 0.526 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 ZINC000784873288 1071219539 /nfs/dbraw/zinc/21/95/39/1071219539.db2.gz HYJYROMSTKXRME-FQEVSTJZSA-N 0 0 457.468 0.344 20 30 JCEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 ZINC000784873290 1071219663 /nfs/dbraw/zinc/21/96/63/1071219663.db2.gz HYJYROMSTKXRME-HXUWFJFHSA-N 0 0 457.468 0.344 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CCN=C3NS(=O)(=O)c4ccccc43)C2=O)cc1 ZINC000784927794 1067655663 /nfs/dbraw/zinc/65/56/63/1067655663.db2.gz XKUAINPOCHHFNP-NRFANRHFSA-N 0 0 471.495 0.622 20 30 JCEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CCN=C3NS(=O)(=O)c4ccccc43)C2=O)cc1 ZINC000784927795 1067655813 /nfs/dbraw/zinc/65/58/13/1067655813.db2.gz XKUAINPOCHHFNP-OAQYLSRUSA-N 0 0 471.495 0.622 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 ZINC000784931428 1067657086 /nfs/dbraw/zinc/65/70/86/1067657086.db2.gz NTZWNSVFBUATBH-NRFANRHFSA-N 0 0 456.480 0.719 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 ZINC000784931429 1067657286 /nfs/dbraw/zinc/65/72/86/1067657286.db2.gz NTZWNSVFBUATBH-OAQYLSRUSA-N 0 0 456.480 0.719 20 30 JCEDRN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000785578196 1070039364 /nfs/dbraw/zinc/03/93/64/1070039364.db2.gz BQDAMPDMUAOTJC-AWEZNQCLSA-N 0 0 469.523 0.947 20 30 JCEDRN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000785578197 1070039297 /nfs/dbraw/zinc/03/92/97/1070039297.db2.gz BQDAMPDMUAOTJC-CQSZACIVSA-N 0 0 469.523 0.947 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000786450553 1070043780 /nfs/dbraw/zinc/04/37/80/1070043780.db2.gz VCKCCDUZXAHXDR-UHFFFAOYSA-N 0 0 467.500 0.429 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000787504191 1070051392 /nfs/dbraw/zinc/05/13/92/1070051392.db2.gz NEFWYLRFRXOZEX-UHFFFAOYSA-N 0 0 461.500 0.145 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000787505355 1070052258 /nfs/dbraw/zinc/05/22/58/1070052258.db2.gz MTKGZNMKFMGCSH-UHFFFAOYSA-N 0 0 461.496 0.885 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000787505360 1070052148 /nfs/dbraw/zinc/05/21/48/1070052148.db2.gz NFCKPHLZPDRPSG-KRWDZBQOSA-N 0 0 472.585 0.979 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000787505364 1070051928 /nfs/dbraw/zinc/05/19/28/1070051928.db2.gz NFCKPHLZPDRPSG-QGZVFWFLSA-N 0 0 472.585 0.979 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N(CC#N)c2ccccc2)c1 ZINC000788268714 1070055512 /nfs/dbraw/zinc/05/55/12/1070055512.db2.gz FKYKKZFBLWFQCP-UHFFFAOYSA-N 0 0 460.512 0.979 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000788280517 1070056167 /nfs/dbraw/zinc/05/61/67/1070056167.db2.gz YQHIJTPKRLTWMS-FOIQADDNSA-N 0 0 454.549 0.865 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000788280712 1070056304 /nfs/dbraw/zinc/05/63/04/1070056304.db2.gz YQHIJTPKRLTWMS-MGPUTAFESA-N 0 0 454.549 0.865 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000788280716 1070056372 /nfs/dbraw/zinc/05/63/72/1070056372.db2.gz YQHIJTPKRLTWMS-QRWLVFNGSA-N 0 0 454.549 0.865 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000788280721 1070056230 /nfs/dbraw/zinc/05/62/30/1070056230.db2.gz YQHIJTPKRLTWMS-YWZLYKJASA-N 0 0 454.549 0.865 20 30 JCEDRN N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000789830282 1070065291 /nfs/dbraw/zinc/06/52/91/1070065291.db2.gz MFXXVCOEFBEDDS-NRFANRHFSA-N 0 0 465.462 0.991 20 30 JCEDRN N#Cc1ccc(OCC(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000789830300 1070065180 /nfs/dbraw/zinc/06/51/80/1070065180.db2.gz MFXXVCOEFBEDDS-OAQYLSRUSA-N 0 0 465.462 0.991 20 30 JCEDRN N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000790089995 1070065692 /nfs/dbraw/zinc/06/56/92/1070065692.db2.gz LSPUUAVGQGRUNK-NRFANRHFSA-N 0 0 465.462 0.991 20 30 JCEDRN N#Cc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000790089998 1070065647 /nfs/dbraw/zinc/06/56/47/1070065647.db2.gz LSPUUAVGQGRUNK-OAQYLSRUSA-N 0 0 465.462 0.991 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000791259054 1070070107 /nfs/dbraw/zinc/07/01/07/1070070107.db2.gz HWJWAJSBKJUJTM-UHFFFAOYSA-N 0 0 462.553 0.674 20 30 JCEDRN Cc1ccccc1CN1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000791259463 1070070235 /nfs/dbraw/zinc/07/02/35/1070070235.db2.gz LKYHAHCIKIFTDW-UHFFFAOYSA-N 0 0 470.551 0.921 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(N2CCOCC2)CCCCC1 ZINC000791260493 1070070358 /nfs/dbraw/zinc/07/03/58/1070070358.db2.gz WLJOROIJUQMZJA-UHFFFAOYSA-N 0 0 478.571 0.420 20 30 JCEDRN CC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000791849340 1070073028 /nfs/dbraw/zinc/07/30/28/1070073028.db2.gz DULBYRGDOZPAJK-GOSISDBHSA-N 0 0 462.528 0.193 20 30 JCEDRN CC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000791849360 1070072907 /nfs/dbraw/zinc/07/29/07/1070072907.db2.gz DULBYRGDOZPAJK-SFHVURJKSA-N 0 0 462.528 0.193 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000792134235 1070075631 /nfs/dbraw/zinc/07/56/31/1070075631.db2.gz PSYRVJLXCQSPNR-IBGZPJMESA-N 0 0 455.492 0.938 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000792134240 1070075297 /nfs/dbraw/zinc/07/52/97/1070075297.db2.gz PSYRVJLXCQSPNR-LJQANCHMSA-N 0 0 455.492 0.938 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCCN3CCCC3=O)CC2)cc1 ZINC000792349783 1070076466 /nfs/dbraw/zinc/07/64/66/1070076466.db2.gz BWRZTVFHKVTQNW-UHFFFAOYSA-N 0 0 476.555 0.631 20 30 JCEDRN CCN(CC(=O)NC(C)C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000792349877 1070076602 /nfs/dbraw/zinc/07/66/02/1070076602.db2.gz DCMYZNGWTABPOK-UHFFFAOYSA-N 0 0 478.571 0.875 20 30 JCEDRN Cn1c2ncn(CCC(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000792637548 1070082400 /nfs/dbraw/zinc/08/24/00/1070082400.db2.gz HAOHLYDWOOGOFC-UHFFFAOYSA-N 0 0 472.889 0.967 20 30 JCEDRN C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccccc1 ZINC000792638822 1070082146 /nfs/dbraw/zinc/08/21/46/1070082146.db2.gz UJJYCKAXMUCIJN-HNNXBMFYSA-N 0 0 452.471 0.702 20 30 JCEDRN C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccccc1 ZINC000792638826 1070082445 /nfs/dbraw/zinc/08/24/45/1070082445.db2.gz UJJYCKAXMUCIJN-OAHLLOKOSA-N 0 0 452.471 0.702 20 30 JCEDRN Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000792642906 1070082991 /nfs/dbraw/zinc/08/29/91/1070082991.db2.gz JTJSKFYDLLEBPP-UHFFFAOYSA-N 0 0 459.480 0.818 20 30 JCEDRN CC(=O)N[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 ZINC000792687563 1070094072 /nfs/dbraw/zinc/09/40/72/1070094072.db2.gz SCHCXCSHIBSHFH-NRFANRHFSA-N 0 0 476.555 0.629 20 30 JCEDRN CC(=O)N[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 ZINC000792687585 1070094147 /nfs/dbraw/zinc/09/41/47/1070094147.db2.gz SCHCXCSHIBSHFH-OAQYLSRUSA-N 0 0 476.555 0.629 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000792707298 1070095754 /nfs/dbraw/zinc/09/57/54/1070095754.db2.gz ORTBOZPRNICLEI-UHFFFAOYSA-N 0 0 451.505 0.795 20 30 JCEDRN CSc1nc(C2CC2)cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C#N ZINC000792734766 1070096292 /nfs/dbraw/zinc/09/62/92/1070096292.db2.gz XQMLZHJWYBZISQ-LLVKDONJSA-N 0 0 452.514 0.722 20 30 JCEDRN CSc1nc(C2CC2)cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1C#N ZINC000792734768 1070096335 /nfs/dbraw/zinc/09/63/35/1070096335.db2.gz XQMLZHJWYBZISQ-NSHDSACASA-N 0 0 452.514 0.722 20 30 JCEDRN COc1ccc(S(N)(=O)=O)cc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000793835449 1070101916 /nfs/dbraw/zinc/10/19/16/1070101916.db2.gz USOSUBGMABVIRM-UHFFFAOYSA-N 0 0 452.514 0.800 20 30 JCEDRN C=CCc1ccc(OCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 ZINC000794015819 1070104570 /nfs/dbraw/zinc/10/45/70/1070104570.db2.gz KXGLROMNKGNYOV-GOSISDBHSA-N 0 0 466.556 0.677 20 30 JCEDRN C=CCc1ccc(OCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 ZINC000794015821 1070104642 /nfs/dbraw/zinc/10/46/42/1070104642.db2.gz KXGLROMNKGNYOV-SFHVURJKSA-N 0 0 466.556 0.677 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000794250330 1070106506 /nfs/dbraw/zinc/10/65/06/1070106506.db2.gz HQBNMSOACKAMKY-UHFFFAOYSA-N 0 0 478.571 0.531 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000794250707 1070106553 /nfs/dbraw/zinc/10/65/53/1070106553.db2.gz OYPPCQDQLZKGOO-UHFFFAOYSA-N 0 0 486.550 0.528 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000794251148 1070106397 /nfs/dbraw/zinc/10/63/97/1070106397.db2.gz VYUZRHVBGZPPOW-UHFFFAOYSA-N 0 0 462.553 0.786 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000794251462 1070106442 /nfs/dbraw/zinc/10/64/42/1070106442.db2.gz XTPAUVSEBCMCLV-UHFFFAOYSA-N 0 0 472.523 0.851 20 30 JCEDRN C=CCOc1ccc(/C=C\C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000794254482 1070106575 /nfs/dbraw/zinc/10/65/75/1070106575.db2.gz GTXWFIREDBORMW-PKYBCLHXSA-N 0 0 452.485 0.829 20 30 JCEDRN C=CCOc1ccc(/C=C\C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000794254498 1070106634 /nfs/dbraw/zinc/10/66/34/1070106634.db2.gz GTXWFIREDBORMW-ZQMJAJRESA-N 0 0 452.485 0.829 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000794517756 1070155221 /nfs/dbraw/zinc/15/52/21/1070155221.db2.gz MRDNHLGKQGHPJM-UHFFFAOYSA-N 0 0 480.587 0.367 20 30 JCEDRN C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000794728988 1070169165 /nfs/dbraw/zinc/16/91/65/1070169165.db2.gz RMNAJGJSTLPHCP-UHFFFAOYSA-N 0 0 456.455 0.953 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC000795701277 1070713079 /nfs/dbraw/zinc/71/30/79/1070713079.db2.gz CCDGNKXOHLOJTE-AQTBWJFISA-N 0 0 472.571 0.154 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000795701295 1070712938 /nfs/dbraw/zinc/71/29/38/1070712938.db2.gz CCDGNKXOHLOJTE-QGOAFFKASA-N 0 0 472.571 0.154 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 ZINC000797479884 1071220216 /nfs/dbraw/zinc/22/02/16/1071220216.db2.gz OPUVNJIAKFGIOP-UHFFFAOYSA-N 0 0 485.404 0.950 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCOC ZINC000797641020 1071220999 /nfs/dbraw/zinc/22/09/99/1071220999.db2.gz GBHAHZKGRPJDKM-UHFFFAOYSA-N 0 0 465.959 0.874 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3Cl)c(=O)n2CCOC)CC1 ZINC000797641349 1071221082 /nfs/dbraw/zinc/22/10/82/1071221082.db2.gz SRYVYWVTJIEMDC-UHFFFAOYSA-N 0 0 491.013 0.885 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCOC ZINC000797641478 1071221106 /nfs/dbraw/zinc/22/11/06/1071221106.db2.gz YZQSQTWIVAKBFO-UHFFFAOYSA-N 0 0 451.932 0.484 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC)cc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000797641490 1071221119 /nfs/dbraw/zinc/22/11/19/1071221119.db2.gz ZMJARPZTDVYKAH-UHFFFAOYSA-N 0 0 463.943 0.580 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC(F)(F)F)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000797641585 1071221150 /nfs/dbraw/zinc/22/11/50/1071221150.db2.gz FPAIEKMAIFKMMN-UHFFFAOYSA-N 0 0 483.468 0.817 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CCOC ZINC000797641749 1071221233 /nfs/dbraw/zinc/22/12/33/1071221233.db2.gz PFJRRYDKDOXYKG-UHFFFAOYSA-N 0 0 471.457 0.720 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000797655175 1071221311 /nfs/dbraw/zinc/22/13/11/1071221311.db2.gz CSZIKYZECZWWND-UHFFFAOYSA-N 0 0 477.546 0.826 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000797655210 1071221286 /nfs/dbraw/zinc/22/12/86/1071221286.db2.gz FOIZUZWGHUSCKE-UHFFFAOYSA-N 0 0 495.561 0.286 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)OCCO3)c1=O ZINC000797655857 1071221182 /nfs/dbraw/zinc/22/11/82/1071221182.db2.gz YEPUVPWHEVNTPN-UHFFFAOYSA-N 0 0 477.546 0.802 20 30 JCEDRN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000798175259 1071223022 /nfs/dbraw/zinc/22/30/22/1071223022.db2.gz FTPRMLHBGCNWHH-UHFFFAOYSA-N 0 0 464.569 0.981 20 30 JCEDRN C=CCn1c2nn(CN3CCN(C(=O)C(=O)NC(C)C)CC3)c(=S)n2c2ccccc2c1=O ZINC000798190051 1071222959 /nfs/dbraw/zinc/22/29/59/1071222959.db2.gz HAOOSOGACHKXJJ-UHFFFAOYSA-N 0 0 469.571 0.992 20 30 JCEDRN C=CCn1c(-c2cccnc2)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S ZINC000798190627 1071223620 /nfs/dbraw/zinc/22/36/20/1071223620.db2.gz FVLZVZSBPJMKEU-UHFFFAOYSA-N 0 0 457.560 0.623 20 30 JCEDRN C=CCn1c2nn(CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)c(=S)n2c2ccccc2c1=O ZINC000798190876 1071223670 /nfs/dbraw/zinc/22/36/70/1071223670.db2.gz QKKMEUAGPYMOEQ-UHFFFAOYSA-N 0 0 497.581 0.327 20 30 JCEDRN C=CCn1c(-c2ccncc2)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S ZINC000798190897 1071223585 /nfs/dbraw/zinc/22/35/85/1071223585.db2.gz RNUUDAMYMGDBTR-UHFFFAOYSA-N 0 0 457.560 0.623 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000798361888 1071224938 /nfs/dbraw/zinc/22/49/38/1071224938.db2.gz PQECJOUSLZBQMF-UHFFFAOYSA-N 0 0 480.524 0.090 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000798366030 1071225006 /nfs/dbraw/zinc/22/50/06/1071225006.db2.gz GVXZJHGQSSFQJW-UHFFFAOYSA-N 0 0 494.551 0.480 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 ZINC000798366116 1071225042 /nfs/dbraw/zinc/22/50/42/1071225042.db2.gz KABJRUFJGVNPPR-UHFFFAOYSA-N 0 0 479.536 0.577 20 30 JCEDRN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000799650617 1071228086 /nfs/dbraw/zinc/22/80/86/1071228086.db2.gz IMOKIIGSDLYHGR-HRAATJIYSA-N 0 0 470.511 0.829 20 30 JCEDRN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000799650618 1071228011 /nfs/dbraw/zinc/22/80/11/1071228011.db2.gz IMOKIIGSDLYHGR-IERDGZPVSA-N 0 0 470.511 0.829 20 30 JCEDRN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000799650619 1071228098 /nfs/dbraw/zinc/22/80/98/1071228098.db2.gz IMOKIIGSDLYHGR-IIBYNOLFSA-N 0 0 470.511 0.829 20 30 JCEDRN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000799650620 1071227808 /nfs/dbraw/zinc/22/78/08/1071227808.db2.gz IMOKIIGSDLYHGR-KKSFZXQISA-N 0 0 470.511 0.829 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000800542231 1070766787 /nfs/dbraw/zinc/76/67/87/1070766787.db2.gz CHIPNSDLOBDINS-UHFFFAOYSA-N 0 0 465.532 0.794 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000800754281 1070769458 /nfs/dbraw/zinc/76/94/58/1070769458.db2.gz GRKSVSZKRWFEBW-UHFFFAOYSA-N 0 0 456.480 0.911 20 30 JCEDRN CS(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000800754756 1070769592 /nfs/dbraw/zinc/76/95/92/1070769592.db2.gz PTIXXOPPOZOYCK-UHFFFAOYSA-N 0 0 451.482 0.422 20 30 JCEDRN CCn1c2nnc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)n2c2ccccc2c1=O ZINC000800754845 1070769430 /nfs/dbraw/zinc/76/94/30/1070769430.db2.gz REDGSZKVQOGFKD-UHFFFAOYSA-N 0 0 466.479 0.957 20 30 JCEDRN CS(=O)(=O)c1ccc(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000800755400 1070769393 /nfs/dbraw/zinc/76/93/93/1070769393.db2.gz CCIXGSMRNTWXKP-UHFFFAOYSA-N 0 0 465.509 0.701 20 30 JCEDRN CS(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000800762858 1070769549 /nfs/dbraw/zinc/76/95/49/1070769549.db2.gz OSMVLTCUBRFLCS-UHFFFAOYSA-N 0 0 451.482 0.422 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000800763087 1070769437 /nfs/dbraw/zinc/76/94/37/1070769437.db2.gz QEXWRHKQISHEMM-UHFFFAOYSA-N 0 0 456.480 0.911 20 30 JCEDRN CCn1c2nnc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n2c2ccccc2c1=O ZINC000800763525 1070769517 /nfs/dbraw/zinc/76/95/17/1070769517.db2.gz XZFNUCXWBDGCCF-UHFFFAOYSA-N 0 0 466.479 0.957 20 30 JCEDRN CS(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000800764370 1070769410 /nfs/dbraw/zinc/76/94/10/1070769410.db2.gz JMACXDKPYYFREL-UHFFFAOYSA-N 0 0 451.482 0.422 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000800764547 1070769564 /nfs/dbraw/zinc/76/95/64/1070769564.db2.gz QXMUIXSHKFBVNM-UHFFFAOYSA-N 0 0 456.480 0.911 20 30 JCEDRN CCn1c2nnc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000800765432 1070769573 /nfs/dbraw/zinc/76/95/73/1070769573.db2.gz ZXIOBUVPRWMXPO-UHFFFAOYSA-N 0 0 466.479 0.957 20 30 JCEDRN CON=Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000800767781 1070769403 /nfs/dbraw/zinc/76/94/03/1070769403.db2.gz NAGHPMVQDPEGNV-UHFFFAOYSA-N 0 0 464.500 0.962 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000800958115 1070772946 /nfs/dbraw/zinc/77/29/46/1070772946.db2.gz IIIIGVMXHIBRQX-INIZCTEOSA-N 0 0 496.567 0.811 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000800958116 1070772903 /nfs/dbraw/zinc/77/29/03/1070772903.db2.gz IIIIGVMXHIBRQX-MRXNPFEDSA-N 0 0 496.567 0.811 20 30 JCEDRN CCn1c2nnc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n2c2ccccc2c1=O ZINC000801710525 1070774514 /nfs/dbraw/zinc/77/45/14/1070774514.db2.gz QBJDLGLNXPAUEZ-UHFFFAOYSA-N 0 0 466.479 0.846 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1=O ZINC000802747020 1070779741 /nfs/dbraw/zinc/77/97/41/1070779741.db2.gz MJKTUVBRFANYNS-UHFFFAOYSA-N 0 0 456.427 0.179 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000804562575 1070111427 /nfs/dbraw/zinc/11/14/27/1070111427.db2.gz JNVWLBXBGVQKKO-UHFFFAOYSA-N 0 0 459.547 0.810 20 30 JCEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000804680758 1070116883 /nfs/dbraw/zinc/11/68/83/1070116883.db2.gz WARKFYNBKMORPE-INIZCTEOSA-N 0 0 460.512 0.739 20 30 JCEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000804680759 1070117154 /nfs/dbraw/zinc/11/71/54/1070117154.db2.gz WARKFYNBKMORPE-MRXNPFEDSA-N 0 0 460.512 0.739 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000804946163 1070122569 /nfs/dbraw/zinc/12/25/69/1070122569.db2.gz ZDEFMVSDZNUWKU-DEOSSOPVSA-N 0 0 468.510 0.823 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000804946165 1070122600 /nfs/dbraw/zinc/12/26/00/1070122600.db2.gz ZDEFMVSDZNUWKU-XMMPIXPASA-N 0 0 468.510 0.823 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000805698642 1070133863 /nfs/dbraw/zinc/13/38/63/1070133863.db2.gz CBVLNMGTSFADMC-UHFFFAOYSA-N 0 0 477.583 0.906 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)c1 ZINC000805698716 1070133727 /nfs/dbraw/zinc/13/37/27/1070133727.db2.gz NHBAWSPDCREKMZ-UHFFFAOYSA-N 0 0 485.562 0.904 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000805699666 1070307639 /nfs/dbraw/zinc/30/76/39/1070307639.db2.gz NUODEFBBUMRFCS-KRWDZBQOSA-N 0 0 470.569 0.571 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000805699667 1070133658 /nfs/dbraw/zinc/13/36/58/1070133658.db2.gz NUODEFBBUMRFCS-QGZVFWFLSA-N 0 0 470.569 0.571 20 30 JCEDRN C=CCOc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000805754171 1070334848 /nfs/dbraw/zinc/33/48/48/1070334848.db2.gz XMAJLHPNCKBHHM-KRWDZBQOSA-N 0 0 452.529 0.748 20 30 JCEDRN C=CCOc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000805754172 1070334744 /nfs/dbraw/zinc/33/47/44/1070334744.db2.gz XMAJLHPNCKBHHM-QGZVFWFLSA-N 0 0 452.529 0.748 20 30 JCEDRN C=CCc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1OC ZINC000805821388 1070137290 /nfs/dbraw/zinc/13/72/90/1070137290.db2.gz JPOPBJLDGOMNCB-GOSISDBHSA-N 0 0 466.556 0.920 20 30 JCEDRN C=CCc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1OC ZINC000805821389 1070137516 /nfs/dbraw/zinc/13/75/16/1070137516.db2.gz JPOPBJLDGOMNCB-SFHVURJKSA-N 0 0 466.556 0.920 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000805942127 1070139796 /nfs/dbraw/zinc/13/97/96/1070139796.db2.gz HSYYKHWIVDPVHQ-UHFFFAOYSA-N 0 0 462.553 0.786 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccccc1CN1CCOCC1 ZINC000805942614 1070139627 /nfs/dbraw/zinc/13/96/27/1070139627.db2.gz PSEITTVMQXSSHQ-UHFFFAOYSA-N 0 0 486.550 0.528 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000805943185 1070413540 /nfs/dbraw/zinc/41/35/40/1070413540.db2.gz YIXDHLYOJJNVQD-UHFFFAOYSA-N 0 0 478.571 0.531 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000807358417 1070162396 /nfs/dbraw/zinc/16/23/96/1070162396.db2.gz XBGFPWMPTLNIDE-UHFFFAOYSA-N 0 0 456.524 0.724 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000807632472 1070166901 /nfs/dbraw/zinc/16/69/01/1070166901.db2.gz SZRSOPVGSNSIBE-UHFFFAOYSA-N 0 0 456.524 0.724 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000807649498 1070167795 /nfs/dbraw/zinc/16/77/95/1070167795.db2.gz ZKMKCFVWYIVMAJ-FPLPWBNLSA-N 0 0 457.487 0.606 20 30 JCEDRN Cc1nn(C)c(C)c1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000809199858 1070186357 /nfs/dbraw/zinc/18/63/57/1070186357.db2.gz AZDQVIJZGLKWGC-UHFFFAOYSA-N 0 0 473.555 0.918 20 30 JCEDRN Cc1nn(C)c(C)c1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000809204035 1070186245 /nfs/dbraw/zinc/18/62/45/1070186245.db2.gz MSAVJBWVFUBOGP-UHFFFAOYSA-N 0 0 459.528 0.527 20 30 JCEDRN O=C(C=CNc1ccccc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000809684389 1070193861 /nfs/dbraw/zinc/19/38/61/1070193861.db2.gz AKWARSAFTAFDLG-JPVGGKMYSA-N 0 0 477.417 0.913 20 30 JCEDRN O=C(C=CNc1ccccc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000809684390 1070193886 /nfs/dbraw/zinc/19/38/86/1070193886.db2.gz AKWARSAFTAFDLG-OKPNEXGHSA-N 0 0 477.417 0.913 20 30 JCEDRN O=C(C=CNc1ccccc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000809684391 1070193989 /nfs/dbraw/zinc/19/39/89/1070193989.db2.gz AKWARSAFTAFDLG-XOIDGJRKSA-N 0 0 477.417 0.913 20 30 JCEDRN O=C(C=CNc1ccccc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000809684392 1070193968 /nfs/dbraw/zinc/19/39/68/1070193968.db2.gz AKWARSAFTAFDLG-ZRQQLDRUSA-N 0 0 477.417 0.913 20 30 JCEDRN Cc1cc(NC(=O)CN2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 ZINC000810876209 1070205672 /nfs/dbraw/zinc/20/56/72/1070205672.db2.gz FJZPKYCMFUKDAW-UHFFFAOYSA-N 0 0 474.543 0.585 20 30 JCEDRN NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000811476962 1070210232 /nfs/dbraw/zinc/21/02/32/1070210232.db2.gz YRWZLYJGUJPVFO-FQEVSTJZSA-N 0 0 455.540 0.486 20 30 JCEDRN NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000811476963 1070210278 /nfs/dbraw/zinc/21/02/78/1070210278.db2.gz YRWZLYJGUJPVFO-HXUWFJFHSA-N 0 0 455.540 0.486 20 30 JCEDRN C[C@@H](OC(=O)CCCN=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ncnc2[nH]cnc21 ZINC000811520800 1070210160 /nfs/dbraw/zinc/21/01/60/1070210160.db2.gz VLBATEXFIVKAEY-LLVKDONJSA-N 0 0 457.472 0.742 20 30 JCEDRN C[C@H](OC(=O)CCCN=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ncnc2[nH]cnc21 ZINC000811520807 1070210176 /nfs/dbraw/zinc/21/01/76/1070210176.db2.gz VLBATEXFIVKAEY-NSHDSACASA-N 0 0 457.472 0.742 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000811679377 1070213490 /nfs/dbraw/zinc/21/34/90/1070213490.db2.gz BUYUOEITEXEOKW-JLTOFOAXSA-N 0 0 452.533 0.653 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000811679378 1070213502 /nfs/dbraw/zinc/21/35/02/1070213502.db2.gz BUYUOEITEXEOKW-VBKZILBWSA-N 0 0 452.533 0.653 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000811679379 1070213432 /nfs/dbraw/zinc/21/34/32/1070213432.db2.gz BUYUOEITEXEOKW-VLIAUNLRSA-N 0 0 452.533 0.653 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000811679380 1070213495 /nfs/dbraw/zinc/21/34/95/1070213495.db2.gz BUYUOEITEXEOKW-XOBRGWDASA-N 0 0 452.533 0.653 20 30 JCEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000811679853 1070214596 /nfs/dbraw/zinc/21/45/96/1070214596.db2.gz GTMXPYAAJZPVOC-RBZFPXEDSA-N 0 0 450.517 0.407 20 30 JCEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000811679854 1070214675 /nfs/dbraw/zinc/21/46/75/1070214675.db2.gz GTMXPYAAJZPVOC-RNODOKPDSA-N 0 0 450.517 0.407 20 30 JCEDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000811679855 1070214543 /nfs/dbraw/zinc/21/45/43/1070214543.db2.gz GTMXPYAAJZPVOC-XCLFUZPHSA-N 0 0 450.517 0.407 20 30 JCEDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000811679856 1070214665 /nfs/dbraw/zinc/21/46/65/1070214665.db2.gz GTMXPYAAJZPVOC-ZUOKHONESA-N 0 0 450.517 0.407 20 30 JCEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 ZINC000811680709 1070215093 /nfs/dbraw/zinc/21/50/93/1070215093.db2.gz PDIGNKDCKKWWOE-HNNXBMFYSA-N 0 0 464.544 0.941 20 30 JCEDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 ZINC000811680712 1070215024 /nfs/dbraw/zinc/21/50/24/1070215024.db2.gz PDIGNKDCKKWWOE-OAHLLOKOSA-N 0 0 464.544 0.941 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000811828918 1070216956 /nfs/dbraw/zinc/21/69/56/1070216956.db2.gz GOSMCVICDWGMFY-UHFFFAOYSA-N 0 0 479.536 0.644 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000811829866 1070217577 /nfs/dbraw/zinc/21/75/77/1070217577.db2.gz XOSPSFVFQLEHCL-UHFFFAOYSA-N 0 0 459.480 0.333 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000811830414 1070217011 /nfs/dbraw/zinc/21/70/11/1070217011.db2.gz NTEDZGMAWWIOGF-UHFFFAOYSA-N 0 0 493.563 0.952 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000811830999 1070217754 /nfs/dbraw/zinc/21/77/54/1070217754.db2.gz OYWBICKXYOLQPQ-UHFFFAOYSA-N 0 0 451.482 0.041 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000811831181 1070217612 /nfs/dbraw/zinc/21/76/12/1070217612.db2.gz ZDNRJGHVNNTNQA-UHFFFAOYSA-N 0 0 451.482 0.041 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)cc1 ZINC000811831309 1070217722 /nfs/dbraw/zinc/21/77/22/1070217722.db2.gz FCGKSNPWQUNSIO-HNNXBMFYSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)cc1 ZINC000811831310 1070217516 /nfs/dbraw/zinc/21/75/16/1070217516.db2.gz FCGKSNPWQUNSIO-OAHLLOKOSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000811831393 1070217663 /nfs/dbraw/zinc/21/76/63/1070217663.db2.gz IXIMOGBNCIXQSO-INIZCTEOSA-N 0 0 473.507 0.721 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000811831394 1070217637 /nfs/dbraw/zinc/21/76/37/1070217637.db2.gz IXIMOGBNCIXQSO-MRXNPFEDSA-N 0 0 473.507 0.721 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000811831432 1070217555 /nfs/dbraw/zinc/21/75/55/1070217555.db2.gz KOHYDUJKARIMEY-UHFFFAOYSA-N 0 0 473.463 0.874 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000811831451 1070217701 /nfs/dbraw/zinc/21/77/01/1070217701.db2.gz KWWRMECPYKRDJC-CYBMUJFWSA-N 0 0 465.509 0.430 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000811831455 1070217742 /nfs/dbraw/zinc/21/77/42/1070217742.db2.gz KWWRMECPYKRDJC-ZDUSSCGKSA-N 0 0 465.509 0.430 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000811831730 1070217594 /nfs/dbraw/zinc/21/75/94/1070217594.db2.gz FAFOOBZZPJJOQK-UHFFFAOYSA-N 0 0 473.507 0.827 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000811831891 1070217652 /nfs/dbraw/zinc/21/76/52/1070217652.db2.gz ISMQWAMQUHZEIQ-UHFFFAOYSA-N 0 0 476.511 0.287 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811832508 1070217546 /nfs/dbraw/zinc/21/75/46/1070217546.db2.gz SBYFEFXHOPQBFX-KRWDZBQOSA-N 0 0 470.569 0.571 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811832509 1070217492 /nfs/dbraw/zinc/21/74/92/1070217492.db2.gz SBYFEFXHOPQBFX-QGZVFWFLSA-N 0 0 470.569 0.571 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811832521 1070217477 /nfs/dbraw/zinc/21/74/77/1070217477.db2.gz SMXLSELSEYUMSK-KRWDZBQOSA-N 0 0 470.569 0.427 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811832522 1070217623 /nfs/dbraw/zinc/21/76/23/1070217623.db2.gz SMXLSELSEYUMSK-QGZVFWFLSA-N 0 0 470.569 0.427 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811832902 1070218198 /nfs/dbraw/zinc/21/81/98/1070218198.db2.gz CNZQRVRRVQGJAX-GOSISDBHSA-N 0 0 482.580 0.713 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811832903 1070218213 /nfs/dbraw/zinc/21/82/13/1070218213.db2.gz CNZQRVRRVQGJAX-SFHVURJKSA-N 0 0 482.580 0.713 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000811832930 1070218449 /nfs/dbraw/zinc/21/84/49/1070218449.db2.gz DPBOQXXTIOBMMY-UHFFFAOYSA-N 0 0 479.536 0.658 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 ZINC000811832998 1070218283 /nfs/dbraw/zinc/21/82/83/1070218283.db2.gz HTKYJBVYOUGHCF-UHFFFAOYSA-N 0 0 465.509 0.349 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000811833110 1070218268 /nfs/dbraw/zinc/21/82/68/1070218268.db2.gz MOAQKDCUHVYYDR-UHFFFAOYSA-N 0 0 461.521 0.971 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnc3n2c2ccccc2c(=O)n3C)cc1 ZINC000811833152 1070218435 /nfs/dbraw/zinc/21/84/35/1070218435.db2.gz ONKSUUWCZBVYFR-UHFFFAOYSA-N 0 0 451.464 0.850 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000811833340 1070218403 /nfs/dbraw/zinc/21/84/03/1070218403.db2.gz YEQMTIZPGGAORZ-UHFFFAOYSA-N 0 0 475.548 0.801 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1 ZINC000811833526 1070218369 /nfs/dbraw/zinc/21/83/69/1070218369.db2.gz GNIOFNBIBPNBBW-UHFFFAOYSA-N 0 0 479.536 0.610 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000811833541 1070218310 /nfs/dbraw/zinc/21/83/10/1070218310.db2.gz HJBPPIQSAOXQHM-UHFFFAOYSA-N 0 0 477.583 0.906 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCN(C(=O)OCC)CC2)cc1 ZINC000811833577 1070218355 /nfs/dbraw/zinc/21/83/55/1070218355.db2.gz JDXQEWJCHFRLKQ-UHFFFAOYSA-N 0 0 451.501 0.492 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000811833613 1070218175 /nfs/dbraw/zinc/21/81/75/1070218175.db2.gz KIHKZIVZOCNJKJ-UHFFFAOYSA-N 0 0 465.434 0.788 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811833670 1070217527 /nfs/dbraw/zinc/21/75/27/1070217527.db2.gz MMGOXFSRFRTHHG-GDBMZVCRSA-N 0 0 456.542 0.179 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811833671 1070217537 /nfs/dbraw/zinc/21/75/37/1070217537.db2.gz MMGOXFSRFRTHHG-GOEBONIOSA-N 0 0 456.542 0.179 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811833672 1070217507 /nfs/dbraw/zinc/21/75/07/1070217507.db2.gz MMGOXFSRFRTHHG-HOCLYGCPSA-N 0 0 456.542 0.179 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811833673 1070218190 /nfs/dbraw/zinc/21/81/90/1070218190.db2.gz MMGOXFSRFRTHHG-ZBFHGGJFSA-N 0 0 456.542 0.179 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000811833686 1070218419 /nfs/dbraw/zinc/21/84/19/1070218419.db2.gz MVTIGBVKIXFKSZ-UHFFFAOYSA-N 0 0 450.494 0.797 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000811833702 1070218382 /nfs/dbraw/zinc/21/83/82/1070218382.db2.gz NPUAAZLIGSUUCL-UHFFFAOYSA-N 0 0 485.562 0.904 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000811833732 1070218296 /nfs/dbraw/zinc/21/82/96/1070218296.db2.gz PNYCBOJZUGEFAL-CYBMUJFWSA-N 0 0 465.509 0.430 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000811833733 1070218224 /nfs/dbraw/zinc/21/82/24/1070218224.db2.gz PNYCBOJZUGEFAL-ZDUSSCGKSA-N 0 0 465.509 0.430 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)cc1 ZINC000811833763 1070218340 /nfs/dbraw/zinc/21/83/40/1070218340.db2.gz QZJHZASOVXTFNY-HSZRJFAPSA-N 0 0 498.517 0.643 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1 ZINC000811833764 1070218246 /nfs/dbraw/zinc/21/82/46/1070218246.db2.gz QZJHZASOVXTFNY-QHCPKHFHSA-N 0 0 498.517 0.643 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1 ZINC000811833861 1070218955 /nfs/dbraw/zinc/21/89/55/1070218955.db2.gz WKNPHRYOATWAHG-UHFFFAOYSA-N 0 0 473.507 0.861 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000811833877 1070218913 /nfs/dbraw/zinc/21/89/13/1070218913.db2.gz XJXYAFXMMRMAFO-HNNXBMFYSA-N 0 0 493.563 0.150 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000811833878 1070218939 /nfs/dbraw/zinc/21/89/39/1070218939.db2.gz XJXYAFXMMRMAFO-OAHLLOKOSA-N 0 0 493.563 0.150 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000811833889 1070219009 /nfs/dbraw/zinc/21/90/09/1070219009.db2.gz YBADXFVYDFWRLB-UHFFFAOYSA-N 0 0 459.436 0.832 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000811834111 1070219030 /nfs/dbraw/zinc/21/90/30/1070219030.db2.gz HVOQYXCEEBIODL-UHFFFAOYSA-N 0 0 461.471 0.803 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 ZINC000811834214 1070219095 /nfs/dbraw/zinc/21/90/95/1070219095.db2.gz MOVSPOGDJCTJLU-UHFFFAOYSA-N 0 0 484.577 0.791 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000811834312 1070218147 /nfs/dbraw/zinc/21/81/47/1070218147.db2.gz CZXDMOWCWNTVPE-UHFFFAOYSA-N 0 0 450.494 0.797 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1 ZINC000811834735 1070218873 /nfs/dbraw/zinc/21/88/73/1070218873.db2.gz XOFFTVFKUJGKDE-UHFFFAOYSA-N 0 0 478.548 0.730 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 ZINC000811834756 1070218849 /nfs/dbraw/zinc/21/88/49/1070218849.db2.gz YZTSSHFSFWDWFQ-AWEZNQCLSA-N 0 0 491.547 0.380 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 ZINC000811834757 1070218930 /nfs/dbraw/zinc/21/89/30/1070218930.db2.gz YZTSSHFSFWDWFQ-CQSZACIVSA-N 0 0 491.547 0.380 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811835365 1070219133 /nfs/dbraw/zinc/21/91/33/1070219133.db2.gz ZAHLUFDDWDVXBW-INIZCTEOSA-N 0 0 494.551 0.258 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811835366 1070218840 /nfs/dbraw/zinc/21/88/40/1070218840.db2.gz ZAHLUFDDWDVXBW-MRXNPFEDSA-N 0 0 494.551 0.258 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)cc1 ZINC000811901537 1070221280 /nfs/dbraw/zinc/22/12/80/1070221280.db2.gz CQVMWUKQTKRVIM-NRFANRHFSA-N 0 0 456.480 0.719 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)cc1 ZINC000811901541 1070221457 /nfs/dbraw/zinc/22/14/57/1070221457.db2.gz CQVMWUKQTKRVIM-OAQYLSRUSA-N 0 0 456.480 0.719 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 ZINC000811919457 1070221661 /nfs/dbraw/zinc/22/16/61/1070221661.db2.gz CLLNLTWEZNUAAA-NRFANRHFSA-N 0 0 456.480 0.719 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 ZINC000811919458 1070221728 /nfs/dbraw/zinc/22/17/28/1070221728.db2.gz CLLNLTWEZNUAAA-OAQYLSRUSA-N 0 0 456.480 0.719 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 ZINC000811966047 1070222263 /nfs/dbraw/zinc/22/22/63/1070222263.db2.gz JEHJTNKXCZVTMK-UHFFFAOYSA-N 0 0 479.536 0.577 20 30 JCEDRN CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=S)NCCN3CCOCC3)o2)cc1 ZINC000812389279 1070226176 /nfs/dbraw/zinc/22/61/76/1070226176.db2.gz RFOPBWGUUDVWBT-UHFFFAOYSA-N 0 0 451.574 0.985 20 30 JCEDRN O=C1CN(N=Cc2ccc(-c3nn(-c4ccccc4)cc3C=NN3CC(=O)NC3=O)o2)C(=O)N1 ZINC000812451311 1070225880 /nfs/dbraw/zinc/22/58/80/1070225880.db2.gz GCKHRPXRZGSPNS-UHFFFAOYSA-N 0 0 460.410 0.904 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000812613955 1070228666 /nfs/dbraw/zinc/22/86/66/1070228666.db2.gz BWQGIXKOVWBDCC-IBGZPJMESA-N 0 0 470.507 0.887 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000812613956 1070228734 /nfs/dbraw/zinc/22/87/34/1070228734.db2.gz BWQGIXKOVWBDCC-LJQANCHMSA-N 0 0 470.507 0.887 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000812744638 1070230758 /nfs/dbraw/zinc/23/07/58/1070230758.db2.gz VKXOPRBAJMSPSY-APWZRJJASA-N 0 0 475.615 0.951 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000812744639 1070230605 /nfs/dbraw/zinc/23/06/05/1070230605.db2.gz VKXOPRBAJMSPSY-LPHOPBHVSA-N 0 0 475.615 0.951 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000812744719 1070230656 /nfs/dbraw/zinc/23/06/56/1070230656.db2.gz KUBMGWVUCKTBJK-IBGZPJMESA-N 0 0 458.496 0.880 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000812744720 1070230559 /nfs/dbraw/zinc/23/05/59/1070230559.db2.gz KUBMGWVUCKTBJK-LJQANCHMSA-N 0 0 458.496 0.880 20 30 JCEDRN C[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000812870533 1070234832 /nfs/dbraw/zinc/23/48/32/1070234832.db2.gz LNUQJXHMJVDKBV-HNNXBMFYSA-N 0 0 490.563 0.814 20 30 JCEDRN C[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000812870534 1070234751 /nfs/dbraw/zinc/23/47/51/1070234751.db2.gz LNUQJXHMJVDKBV-OAHLLOKOSA-N 0 0 490.563 0.814 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000812915483 1070235408 /nfs/dbraw/zinc/23/54/08/1070235408.db2.gz ZTEMVZFMBBVJRM-UHFFFAOYSA-N 0 0 497.533 0.778 20 30 JCEDRN COCCn1c(=O)c(=Cc2csc3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000812932645 1070236559 /nfs/dbraw/zinc/23/65/59/1070236559.db2.gz AIVVIXOHGHHWCJ-UHFFFAOYSA-N 0 0 498.630 0.722 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(C)c3)c(=O)n2CCOC)CC1 ZINC000812932667 1070236667 /nfs/dbraw/zinc/23/66/67/1070236667.db2.gz BGAMVPJSWRLYCT-UHFFFAOYSA-N 0 0 470.595 0.540 20 30 JCEDRN CNS(=O)(=O)c1ccc(-c2ccc(C=c3sc(=C(C#N)C#N)n(CCOC)c3=O)o2)cc1 ZINC000812933166 1070236546 /nfs/dbraw/zinc/23/65/46/1070236546.db2.gz UHDRDBBILIURGY-UHFFFAOYSA-N 0 0 470.532 0.751 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1=O ZINC000813133783 1070239906 /nfs/dbraw/zinc/23/99/06/1070239906.db2.gz ITPJUJRTLUDVOL-UHFFFAOYSA-N 0 0 469.586 0.862 20 30 JCEDRN CC(C)CN(C(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3)[C@@H]1CCS(=O)(=O)C1 ZINC000813156273 1070241140 /nfs/dbraw/zinc/24/11/40/1070241140.db2.gz KFNJZNXJLWZOSE-CYBMUJFWSA-N 0 0 451.501 0.802 20 30 JCEDRN CC(C)CN(C(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3)[C@H]1CCS(=O)(=O)C1 ZINC000813156275 1070240945 /nfs/dbraw/zinc/24/09/45/1070240945.db2.gz KFNJZNXJLWZOSE-ZDUSSCGKSA-N 0 0 451.501 0.802 20 30 JCEDRN CCOC(=O)c1sc(NC(=C2C(=O)NC(=S)NC2=O)[C@@H](F)C(=O)OC)c(C#N)c1C ZINC000814334797 1070256843 /nfs/dbraw/zinc/25/68/43/1070256843.db2.gz DEIBMIKWKOLANN-SECBINFHSA-N 0 0 454.461 0.813 20 30 JCEDRN CCOC(=O)c1sc(NC(=C2C(=O)NC(=S)NC2=O)[C@H](F)C(=O)OC)c(C#N)c1C ZINC000814334811 1070256870 /nfs/dbraw/zinc/25/68/70/1070256870.db2.gz DEIBMIKWKOLANN-VIFPVBQESA-N 0 0 454.461 0.813 20 30 JCEDRN COCCN1C(=O)C(=C(Nc2ccc([N+](=O)[O-])cc2C#N)[C@H](F)C(=O)OC)C(=O)NC1=S ZINC000814339392 1070258994 /nfs/dbraw/zinc/25/89/94/1070258994.db2.gz KYOAVMSPQZFSKZ-BSHRGCEOSA-N 0 0 465.419 0.533 20 30 JCEDRN COCCN1C(=O)C(=C(Nc2ccc([N+](=O)[O-])cc2C#N)[C@@H](F)C(=O)OC)C(=O)NC1=S ZINC000814339393 1070259731 /nfs/dbraw/zinc/25/97/31/1070259731.db2.gz KYOAVMSPQZFSKZ-MNWMYKRDSA-N 0 0 465.419 0.533 20 30 JCEDRN COCCN1C(=O)C(=C(Nc2ccc([N+](=O)[O-])cc2C#N)[C@@H](F)C(=O)OC)C(=O)NC1=S ZINC000814339394 1070259446 /nfs/dbraw/zinc/25/94/46/1070259446.db2.gz KYOAVMSPQZFSKZ-NXXVSJRMSA-N 0 0 465.419 0.533 20 30 JCEDRN COCCN1C(=O)C(=C(Nc2ccc([N+](=O)[O-])cc2C#N)[C@H](F)C(=O)OC)C(=O)NC1=S ZINC000814339395 1070259855 /nfs/dbraw/zinc/25/98/55/1070259855.db2.gz KYOAVMSPQZFSKZ-REQDGWNSSA-N 0 0 465.419 0.533 20 30 JCEDRN COCCN1C(=O)C(=C(Nc2c(C#N)cnn2-c2ccccc2)[C@H](F)C(=O)OC)C(=O)NC1=S ZINC000814392483 1070266249 /nfs/dbraw/zinc/26/62/49/1070266249.db2.gz ADFALZZMYYPSKB-RIBQPWQFSA-N 0 0 486.485 0.811 20 30 JCEDRN COCCN1C(=O)C(=C(Nc2c(C#N)cnn2-c2ccccc2)[C@@H](F)C(=O)OC)C(=O)NC1=S ZINC000814392484 1070265746 /nfs/dbraw/zinc/26/57/46/1070265746.db2.gz ADFALZZMYYPSKB-VZHUHSAUSA-N 0 0 486.485 0.811 20 30 JCEDRN C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(N)(=O)=O)CC2)c(C(=O)OCC)c1C ZINC000817839820 1070299762 /nfs/dbraw/zinc/29/97/62/1070299762.db2.gz SFLHABABUYTINT-UHFFFAOYSA-N 0 0 474.561 0.336 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000818036579 1070302151 /nfs/dbraw/zinc/30/21/51/1070302151.db2.gz OJOGVJJDWIRHNC-UHFFFAOYSA-N 0 0 465.532 0.032 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000818060381 1070303136 /nfs/dbraw/zinc/30/31/36/1070303136.db2.gz XMRHNJPYFOYCCZ-UHFFFAOYSA-N 0 0 468.543 0.531 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cccc3cccnc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000818201132 1070304685 /nfs/dbraw/zinc/30/46/85/1070304685.db2.gz QKJJJBLGIATECB-UHFFFAOYSA-N 0 0 475.574 0.595 20 30 JCEDRN CCCn1c(=O)c(=Cc2cccc3cccnc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000818215186 1070304757 /nfs/dbraw/zinc/30/47/57/1070304757.db2.gz BMBXWNMGSWEWHU-UHFFFAOYSA-N 0 0 477.590 0.819 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@@H]1CCCO1 ZINC000818219746 1070304739 /nfs/dbraw/zinc/30/47/39/1070304739.db2.gz HLRJNZIPSCHPGE-IBGZPJMESA-N 0 0 476.558 0.999 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@H]1CCCO1 ZINC000818219754 1070304799 /nfs/dbraw/zinc/30/47/99/1070304799.db2.gz HLRJNZIPSCHPGE-LJQANCHMSA-N 0 0 476.558 0.999 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@H]1CCCO1 ZINC000818220342 1070305435 /nfs/dbraw/zinc/30/54/35/1070305435.db2.gz LHIJMEUNQOTUGS-GOSISDBHSA-N 0 0 464.547 0.903 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@@H]1CCCO1 ZINC000818220350 1070305564 /nfs/dbraw/zinc/30/55/64/1070305564.db2.gz LHIJMEUNQOTUGS-SFHVURJKSA-N 0 0 464.547 0.903 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCOC ZINC000818224688 1070305319 /nfs/dbraw/zinc/30/53/19/1070305319.db2.gz HQPMSGSKDJNZFR-UHFFFAOYSA-N 0 0 452.536 0.760 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4cccnc34)c(=O)n2CCOC)CC1 ZINC000818225782 1070305238 /nfs/dbraw/zinc/30/52/38/1070305238.db2.gz VXFKEIPBTIRGJE-UHFFFAOYSA-N 0 0 477.590 0.772 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc3cccnc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000818226115 1070305475 /nfs/dbraw/zinc/30/54/75/1070305475.db2.gz ZSPMHQAUTHCFIK-UHFFFAOYSA-N 0 0 493.589 0.056 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc3cccnc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000818226405 1070305542 /nfs/dbraw/zinc/30/55/42/1070305542.db2.gz SBAGKBUQQCGUKP-UHFFFAOYSA-N 0 0 450.520 0.466 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCN1CCOCC1 ZINC000818233316 1070305497 /nfs/dbraw/zinc/30/54/97/1070305497.db2.gz HVGFFCNAXZBENO-UHFFFAOYSA-N 0 0 475.574 0.595 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCN1CCOCC1 ZINC000818233319 1070305350 /nfs/dbraw/zinc/30/53/50/1070305350.db2.gz IESUYDHUWDHRDO-UHFFFAOYSA-N 0 0 477.590 0.819 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCN1CCOCC1 ZINC000818233359 1070305197 /nfs/dbraw/zinc/30/51/97/1070305197.db2.gz KPUWFMPWLPPSFY-UHFFFAOYSA-N 0 0 493.589 0.056 20 30 JCEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCN1CCOCC1 ZINC000818233722 1070305281 /nfs/dbraw/zinc/30/52/81/1070305281.db2.gz NKKDHISOSSZZML-UHFFFAOYSA-N 0 0 489.601 0.916 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCN1CCOCC1 ZINC000818233771 1070305370 /nfs/dbraw/zinc/30/53/70/1070305370.db2.gz OAXRSZICPPPNQW-UHFFFAOYSA-N 0 0 477.590 0.818 20 30 JCEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCN1CCOCC1 ZINC000818233778 1070305390 /nfs/dbraw/zinc/30/53/90/1070305390.db2.gz OBVMANPFJHBDJL-UHFFFAOYSA-N 0 0 475.574 0.572 20 30 JCEDRN Cn1ccnc1[C@](O)(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000818650508 1070308046 /nfs/dbraw/zinc/30/80/46/1070308046.db2.gz FKEDBRZHCPDZFT-GOSISDBHSA-N 0 0 471.461 0.965 20 30 JCEDRN Cn1ccnc1[C@@](O)(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000818650509 1070307895 /nfs/dbraw/zinc/30/78/95/1070307895.db2.gz FKEDBRZHCPDZFT-SFHVURJKSA-N 0 0 471.461 0.965 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)N(CCC#N)CCC#N)c1 ZINC000819799075 1070318245 /nfs/dbraw/zinc/31/82/45/1070318245.db2.gz NEVJLNRMLZXZHF-UHFFFAOYSA-N 0 0 477.543 0.586 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000819800019 1070318205 /nfs/dbraw/zinc/31/82/05/1070318205.db2.gz XHLGIVUBJOBXLH-NRFANRHFSA-N 0 0 466.560 0.985 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000819800024 1070318145 /nfs/dbraw/zinc/31/81/45/1070318145.db2.gz XHLGIVUBJOBXLH-OAQYLSRUSA-N 0 0 466.560 0.985 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000819800990 1070318043 /nfs/dbraw/zinc/31/80/43/1070318043.db2.gz IIAZSIRUKNAVCK-NRFANRHFSA-N 0 0 464.544 0.739 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000819800991 1070318104 /nfs/dbraw/zinc/31/81/04/1070318104.db2.gz IIAZSIRUKNAVCK-OAQYLSRUSA-N 0 0 464.544 0.739 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000819936827 1070320172 /nfs/dbraw/zinc/32/01/72/1070320172.db2.gz MFTWPWGBNYMGQM-GOSISDBHSA-N 0 0 463.604 0.953 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000819936828 1070320215 /nfs/dbraw/zinc/32/02/15/1070320215.db2.gz MFTWPWGBNYMGQM-SFHVURJKSA-N 0 0 463.604 0.953 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000820033349 1070324727 /nfs/dbraw/zinc/32/47/27/1070324727.db2.gz CCKJNYPVVZHNTA-HNNXBMFYSA-N 0 0 462.528 0.208 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000820033356 1070324826 /nfs/dbraw/zinc/32/48/26/1070324826.db2.gz CCKJNYPVVZHNTA-OAHLLOKOSA-N 0 0 462.528 0.208 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000820135062 1070330114 /nfs/dbraw/zinc/33/01/14/1070330114.db2.gz YOGNSUAXZWZHJF-HNNXBMFYSA-N 0 0 450.513 0.930 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000820135063 1070329886 /nfs/dbraw/zinc/32/98/86/1070329886.db2.gz YOGNSUAXZWZHJF-OAHLLOKOSA-N 0 0 450.513 0.930 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br ZINC000820534060 1070333820 /nfs/dbraw/zinc/33/38/20/1070333820.db2.gz PNDYHLNJJHCBBV-GFCCVEGCSA-N 0 0 459.318 0.765 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br ZINC000820534061 1070334035 /nfs/dbraw/zinc/33/40/35/1070334035.db2.gz PNDYHLNJJHCBBV-LBPRGKRZSA-N 0 0 459.318 0.765 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 ZINC000820839632 1070336046 /nfs/dbraw/zinc/33/60/46/1070336046.db2.gz OJIBEKKICGRJJD-UHFFFAOYSA-N 0 0 499.553 0.333 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000820844685 1070335860 /nfs/dbraw/zinc/33/58/60/1070335860.db2.gz LSDPROXLWMFCMG-INIZCTEOSA-N 0 0 459.528 0.835 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000820844686 1070335887 /nfs/dbraw/zinc/33/58/87/1070335887.db2.gz LSDPROXLWMFCMG-MRXNPFEDSA-N 0 0 459.528 0.835 20 30 JCEDRN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 ZINC000821692683 1070342162 /nfs/dbraw/zinc/34/21/62/1070342162.db2.gz SDGPGMIQPFOXEI-UHFFFAOYSA-N 0 0 472.523 0.948 20 30 JCEDRN O=C(CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)NCc1ccccc1 ZINC000821692725 1070341904 /nfs/dbraw/zinc/34/19/04/1070341904.db2.gz XUMUPPUTVDDNPK-UHFFFAOYSA-N 0 0 469.567 0.576 20 30 JCEDRN COc1cc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1OC ZINC000821693317 1070342124 /nfs/dbraw/zinc/34/21/24/1070342124.db2.gz DNFIMCCMWWDSRN-UHFFFAOYSA-N 0 0 463.468 0.933 20 30 JCEDRN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000821693331 1070341787 /nfs/dbraw/zinc/34/17/87/1070341787.db2.gz GARGGBMUVLGEMP-UHFFFAOYSA-N 0 0 458.496 0.674 20 30 JCEDRN Cc1cc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n(-c2nc(C)cc(C)n2)n1 ZINC000821693389 1070342344 /nfs/dbraw/zinc/34/23/44/1070342344.db2.gz PBNOJXATJNZYSJ-UHFFFAOYSA-N 0 0 483.510 0.808 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821694095 1070342253 /nfs/dbraw/zinc/34/22/53/1070342253.db2.gz LWCQCPPBRCKNHZ-UHFFFAOYSA-N 0 0 487.494 0.525 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000821694128 1070342001 /nfs/dbraw/zinc/34/20/01/1070342001.db2.gz UTCPEZJXZPBVNW-INIZCTEOSA-N 0 0 489.531 0.612 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000821694129 1070342304 /nfs/dbraw/zinc/34/23/04/1070342304.db2.gz UTCPEZJXZPBVNW-MRXNPFEDSA-N 0 0 489.531 0.612 20 30 JCEDRN Cc1cc(C(=O)COC(=O)CN=C2NS(=O)(=O)c3ccccc32)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000821694130 1070341826 /nfs/dbraw/zinc/34/18/26/1070341826.db2.gz UUNIHPHNOUKXEJ-HNNXBMFYSA-N 0 0 493.563 0.929 20 30 JCEDRN Cc1cc(C(=O)COC(=O)CN=C2NS(=O)(=O)c3ccccc32)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000821694131 1070341944 /nfs/dbraw/zinc/34/19/44/1070341944.db2.gz UUNIHPHNOUKXEJ-OAHLLOKOSA-N 0 0 493.563 0.929 20 30 JCEDRN Cc1ccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000821695463 1070342192 /nfs/dbraw/zinc/34/21/92/1070342192.db2.gz AVVWFABIJMVIJE-UHFFFAOYSA-N 0 0 494.551 0.466 20 30 JCEDRN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000821698082 1070341858 /nfs/dbraw/zinc/34/18/58/1070341858.db2.gz KZVNMWIWXLIDTK-UHFFFAOYSA-N 0 0 467.481 0.685 20 30 JCEDRN NC(=O)c1c2c(sc1NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCC2 ZINC000821699857 1070342046 /nfs/dbraw/zinc/34/20/46/1070342046.db2.gz QDOHSNPHVNHYDC-UHFFFAOYSA-N 0 0 462.509 0.556 20 30 JCEDRN COC(=O)c1cc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(C(=O)OC)c1 ZINC000821701786 1070342728 /nfs/dbraw/zinc/34/27/28/1070342728.db2.gz LAVJLZBEOMQNBC-UHFFFAOYSA-N 0 0 489.462 0.480 20 30 JCEDRN C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000821708264 1070341236 /nfs/dbraw/zinc/34/12/36/1070341236.db2.gz GBILFBOPFUBOQE-AWEZNQCLSA-N 0 0 474.495 0.234 20 30 JCEDRN C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000821708265 1070341291 /nfs/dbraw/zinc/34/12/91/1070341291.db2.gz GBILFBOPFUBOQE-CQSZACIVSA-N 0 0 474.495 0.234 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)c1ccc(OC(F)F)cc1 ZINC000821710010 1070342222 /nfs/dbraw/zinc/34/22/22/1070342222.db2.gz AQEGHERBNMBBRX-UHFFFAOYSA-N 0 0 467.406 0.826 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000821714980 1070344376 /nfs/dbraw/zinc/34/43/76/1070344376.db2.gz UVTOBRPCRJAYOY-CYBMUJFWSA-N 0 0 451.501 0.459 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000821714982 1070344236 /nfs/dbraw/zinc/34/42/36/1070344236.db2.gz UVTOBRPCRJAYOY-ZDUSSCGKSA-N 0 0 451.501 0.459 20 30 JCEDRN CCCCN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000821722198 1070344514 /nfs/dbraw/zinc/34/45/14/1070344514.db2.gz ADGBBVMGYJSRJI-AWEZNQCLSA-N 0 0 471.557 0.084 20 30 JCEDRN CCCCN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000821722201 1070344067 /nfs/dbraw/zinc/34/40/67/1070344067.db2.gz ADGBBVMGYJSRJI-CQSZACIVSA-N 0 0 471.557 0.084 20 30 JCEDRN C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000821727550 1070342576 /nfs/dbraw/zinc/34/25/76/1070342576.db2.gz IRLBUDKFRULXDE-CYBMUJFWSA-N 0 0 494.551 0.546 20 30 JCEDRN C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000821727564 1070342782 /nfs/dbraw/zinc/34/27/82/1070342782.db2.gz IRLBUDKFRULXDE-ZDUSSCGKSA-N 0 0 494.551 0.546 20 30 JCEDRN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000821727793 1070342610 /nfs/dbraw/zinc/34/26/10/1070342610.db2.gz LSBBRGHYWMQFMF-UHFFFAOYSA-N 0 0 485.927 0.964 20 30 JCEDRN COc1ccc(N2CCN(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000821728111 1070342940 /nfs/dbraw/zinc/34/29/40/1070342940.db2.gz QIOYITXKZSPELS-UHFFFAOYSA-N 0 0 472.523 0.626 20 30 JCEDRN CCOC(=O)CN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000821728446 1070343012 /nfs/dbraw/zinc/34/30/12/1070343012.db2.gz WKTSUHGNSKAPIA-UHFFFAOYSA-N 0 0 459.480 0.865 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000821728497 1070343063 /nfs/dbraw/zinc/34/30/63/1070343063.db2.gz XMXSUBFXPOFSAV-UHFFFAOYSA-N 0 0 460.487 0.756 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1 ZINC000821731648 1070342833 /nfs/dbraw/zinc/34/28/33/1070342833.db2.gz COHBYCRMQOHKNY-UHFFFAOYSA-N 0 0 458.496 0.744 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000821735687 1070343410 /nfs/dbraw/zinc/34/34/10/1070343410.db2.gz ACIAJYOOBKVHNJ-INIZCTEOSA-N 0 0 497.595 0.617 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000821735688 1070343698 /nfs/dbraw/zinc/34/36/98/1070343698.db2.gz ACIAJYOOBKVHNJ-MRXNPFEDSA-N 0 0 497.595 0.617 20 30 JCEDRN COc1ccc(CN(C)C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC ZINC000821735991 1070343451 /nfs/dbraw/zinc/34/34/51/1070343451.db2.gz ONKZGNXDYOWGJV-UHFFFAOYSA-N 0 0 461.496 0.944 20 30 JCEDRN COc1ccc(CCNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC ZINC000821736025 1070343836 /nfs/dbraw/zinc/34/38/36/1070343836.db2.gz UHMUTLAZLYPGLO-UHFFFAOYSA-N 0 0 461.496 0.644 20 30 JCEDRN C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000821739273 1070343597 /nfs/dbraw/zinc/34/35/97/1070343597.db2.gz GNDNURKXLAQLEN-JTQLQIEISA-N 0 0 498.439 0.829 20 30 JCEDRN C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000821739274 1070343669 /nfs/dbraw/zinc/34/36/69/1070343669.db2.gz GNDNURKXLAQLEN-SNVBAGLBSA-N 0 0 498.439 0.829 20 30 JCEDRN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000821739651 1070343728 /nfs/dbraw/zinc/34/37/28/1070343728.db2.gz MBLKZCKXIUNLNN-UHFFFAOYSA-N 0 0 474.495 0.340 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1C(=O)NC1CC1 ZINC000821739653 1070343536 /nfs/dbraw/zinc/34/35/36/1070343536.db2.gz MBUBDQWYXWFMPG-UHFFFAOYSA-N 0 0 456.480 0.799 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000821794436 1070344306 /nfs/dbraw/zinc/34/43/06/1070344306.db2.gz CNVGNAUNXBHUNH-AWEZNQCLSA-N 0 0 459.480 0.871 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000821794440 1070344730 /nfs/dbraw/zinc/34/47/30/1070344730.db2.gz CNVGNAUNXBHUNH-CQSZACIVSA-N 0 0 459.480 0.871 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000821798394 1070345047 /nfs/dbraw/zinc/34/50/47/1070345047.db2.gz GWBJHNVQRTYGIF-AWEZNQCLSA-N 0 0 459.480 0.871 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000821798395 1070344920 /nfs/dbraw/zinc/34/49/20/1070344920.db2.gz GWBJHNVQRTYGIF-CQSZACIVSA-N 0 0 459.480 0.871 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000821812971 1070344835 /nfs/dbraw/zinc/34/48/35/1070344835.db2.gz WGUNJTXEYLCJOU-AWEZNQCLSA-N 0 0 459.480 0.871 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000821812973 1070344706 /nfs/dbraw/zinc/34/47/06/1070344706.db2.gz WGUNJTXEYLCJOU-CQSZACIVSA-N 0 0 459.480 0.871 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000822121597 1070347407 /nfs/dbraw/zinc/34/74/07/1070347407.db2.gz IVJPPPVJTMANDX-CYBMUJFWSA-N 0 0 459.480 0.760 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000822121602 1070347311 /nfs/dbraw/zinc/34/73/11/1070347311.db2.gz IVJPPPVJTMANDX-ZDUSSCGKSA-N 0 0 459.480 0.760 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000822278957 1070349185 /nfs/dbraw/zinc/34/91/85/1070349185.db2.gz RTSPPRLWEUHODG-IBGZPJMESA-N 0 0 491.614 0.287 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000822278958 1070349277 /nfs/dbraw/zinc/34/92/77/1070349277.db2.gz RTSPPRLWEUHODG-LJQANCHMSA-N 0 0 491.614 0.287 20 30 JCEDRN CC(=O)N1CCN(C(=O)COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000822355076 1070350006 /nfs/dbraw/zinc/35/00/06/1070350006.db2.gz SKFUTCIZEHGENJ-UHFFFAOYSA-N 0 0 464.544 0.519 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000823667599 1070366761 /nfs/dbraw/zinc/36/67/61/1070366761.db2.gz FTEOXSKIHCZDTL-UHFFFAOYSA-N 0 0 456.524 0.904 20 30 JCEDRN Cc1oc(NC(=O)COC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C#N)c1C ZINC000823671667 1070366527 /nfs/dbraw/zinc/36/65/27/1070366527.db2.gz RTGZNHYJGWWXPJ-UHFFFAOYSA-N 0 0 462.484 0.930 20 30 JCEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000823975219 1070371272 /nfs/dbraw/zinc/37/12/72/1070371272.db2.gz XVNTZROGHNTMST-GOSISDBHSA-N 0 0 499.659 0.871 20 30 JCEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000823975220 1070370976 /nfs/dbraw/zinc/37/09/76/1070370976.db2.gz XVNTZROGHNTMST-SFHVURJKSA-N 0 0 499.659 0.871 20 30 JCEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000823984171 1070371132 /nfs/dbraw/zinc/37/11/32/1070371132.db2.gz DKIYQPLAPVAGOZ-UHFFFAOYSA-N 0 0 497.643 0.690 20 30 JCEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000823984662 1070371211 /nfs/dbraw/zinc/37/12/11/1070371211.db2.gz OJGLSKNHHFAMJC-UHFFFAOYSA-N 0 0 471.605 0.236 20 30 JCEDRN C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000824399010 1070376070 /nfs/dbraw/zinc/37/60/70/1070376070.db2.gz RETGMQQKOSLREB-JTQLQIEISA-N 0 0 456.484 0.426 20 30 JCEDRN C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000824399011 1070376164 /nfs/dbraw/zinc/37/61/64/1070376164.db2.gz RETGMQQKOSLREB-SNVBAGLBSA-N 0 0 456.484 0.426 20 30 JCEDRN C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000824403791 1070374867 /nfs/dbraw/zinc/37/48/67/1070374867.db2.gz BHLWCDMAAKIWAM-CYBMUJFWSA-N 0 0 456.434 0.451 20 30 JCEDRN C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000824403792 1070374940 /nfs/dbraw/zinc/37/49/40/1070374940.db2.gz BHLWCDMAAKIWAM-ZDUSSCGKSA-N 0 0 456.434 0.451 20 30 JCEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000824404356 1070375927 /nfs/dbraw/zinc/37/59/27/1070375927.db2.gz OOEAQOKZOZHFDE-HNNXBMFYSA-N 0 0 452.471 0.621 20 30 JCEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000824404357 1070376108 /nfs/dbraw/zinc/37/61/08/1070376108.db2.gz OOEAQOKZOZHFDE-OAHLLOKOSA-N 0 0 452.471 0.621 20 30 JCEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000824404557 1070374892 /nfs/dbraw/zinc/37/48/92/1070374892.db2.gz RTQNBRMTVDNFLG-INIZCTEOSA-N 0 0 466.498 0.929 20 30 JCEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000824404558 1070375751 /nfs/dbraw/zinc/37/57/51/1070375751.db2.gz RTQNBRMTVDNFLG-MRXNPFEDSA-N 0 0 466.498 0.929 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000824404806 1070375222 /nfs/dbraw/zinc/37/52/22/1070375222.db2.gz XFDDUBQDQOWAKP-AWEZNQCLSA-N 0 0 468.470 0.321 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000824404812 1070375106 /nfs/dbraw/zinc/37/51/06/1070375106.db2.gz XFDDUBQDQOWAKP-CQSZACIVSA-N 0 0 468.470 0.321 20 30 JCEDRN Cc1oc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(C#N)c1C ZINC000824654199 1070379893 /nfs/dbraw/zinc/37/98/93/1070379893.db2.gz LJCMOGIHDIMITM-UHFFFAOYSA-N 0 0 450.473 0.923 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000824669024 1070379875 /nfs/dbraw/zinc/37/98/75/1070379875.db2.gz BXBQXKPRIPBEOW-GFCCVEGCSA-N 0 0 459.318 0.765 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000824669025 1070380004 /nfs/dbraw/zinc/38/00/04/1070380004.db2.gz BXBQXKPRIPBEOW-LBPRGKRZSA-N 0 0 459.318 0.765 20 30 JCEDRN O=C(CCCN=C1NS(=O)(=O)c2ccccc21)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000825045541 1070385658 /nfs/dbraw/zinc/38/56/58/1070385658.db2.gz GHNQNDUCQJZMCJ-UHFFFAOYSA-N 0 0 461.544 0.876 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000825139587 1070386243 /nfs/dbraw/zinc/38/62/43/1070386243.db2.gz YPJPNJXLPKKIIE-UHFFFAOYSA-N 0 0 472.523 0.851 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000825228847 1070388395 /nfs/dbraw/zinc/38/83/95/1070388395.db2.gz IBRHBBIRCYJLOL-FQEVSTJZSA-N 0 0 451.501 0.868 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000825228848 1070388477 /nfs/dbraw/zinc/38/84/77/1070388477.db2.gz IBRHBBIRCYJLOL-HXUWFJFHSA-N 0 0 451.501 0.868 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000825248909 1070389107 /nfs/dbraw/zinc/38/91/07/1070389107.db2.gz INRNWTSPXOQTOP-UHFFFAOYSA-N 0 0 455.489 0.461 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000825259563 1070389467 /nfs/dbraw/zinc/38/94/67/1070389467.db2.gz KUKBAZAYRZBYKE-UHFFFAOYSA-N 0 0 464.525 0.813 20 30 JCEDRN NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)CCCN=C1NS(=O)(=O)c2ccccc21 ZINC000825359932 1070391057 /nfs/dbraw/zinc/39/10/57/1070391057.db2.gz PVKLXNPOJGAVGC-HNNXBMFYSA-N 0 0 457.512 0.899 20 30 JCEDRN NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)CCCN=C1NS(=O)(=O)c2ccccc21 ZINC000825359933 1070391153 /nfs/dbraw/zinc/39/11/53/1070391153.db2.gz PVKLXNPOJGAVGC-OAHLLOKOSA-N 0 0 457.512 0.899 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1sc3c(c1C#N)CCCCC3)c(=O)n2C ZINC000825370168 1070391553 /nfs/dbraw/zinc/39/15/53/1070391553.db2.gz NANXAGQSWMNDLC-UHFFFAOYSA-N 0 0 470.511 0.818 20 30 JCEDRN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000825370513 1070391969 /nfs/dbraw/zinc/39/19/69/1070391969.db2.gz UPHQNJBFCUMOND-UHFFFAOYSA-N 0 0 452.471 0.541 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)/C=C1/N(C)c3ccccc3C1(C)C)c(=O)n2C ZINC000825370754 1070392040 /nfs/dbraw/zinc/39/20/40/1070392040.db2.gz ZMPFSEARXBVUSS-LICLKQGHSA-N 0 0 451.483 0.858 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)/C=C1\N(C)c3ccccc3C1(C)C)c(=O)n2C ZINC000825370756 1070392180 /nfs/dbraw/zinc/39/21/80/1070392180.db2.gz ZMPFSEARXBVUSS-YVLHZVERSA-N 0 0 451.483 0.858 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000825370765 1070391951 /nfs/dbraw/zinc/39/19/51/1070391951.db2.gz ZYDDIZCQNLEEJJ-UHFFFAOYSA-N 0 0 468.470 0.322 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1)c(=O)n2C ZINC000825375726 1070392914 /nfs/dbraw/zinc/39/29/14/1070392914.db2.gz RVHOZLSNOMONFL-UHFFFAOYSA-N 0 0 458.862 0.577 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1=O ZINC000825722103 1070260018 /nfs/dbraw/zinc/26/00/18/1070260018.db2.gz SHNDXDJYKLFPIM-JYRVWZFOSA-N 0 0 457.512 0.046 20 30 JCEDRN Cn1ncc2c1nc(CCC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)[nH]c2=O ZINC000827571998 1070867022 /nfs/dbraw/zinc/86/70/22/1070867022.db2.gz CCOHQNOHVAGDFD-UHFFFAOYSA-N 0 0 455.500 0.406 20 30 JCEDRN N#Cc1ccc(OCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 ZINC000827574924 1070867274 /nfs/dbraw/zinc/86/72/74/1070867274.db2.gz JEHAGJODDYQCGE-UHFFFAOYSA-N 0 0 473.507 0.818 20 30 JCEDRN N#Cc1ccccc1OCC(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000827741411 1070868620 /nfs/dbraw/zinc/86/86/20/1070868620.db2.gz SHBFKUAPKJSBLH-UHFFFAOYSA-N 0 0 473.507 0.818 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000827878078 1070869925 /nfs/dbraw/zinc/86/99/25/1070869925.db2.gz MMBXLKCKOSYELO-IBGZPJMESA-N 0 0 491.614 0.143 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000827878079 1070869823 /nfs/dbraw/zinc/86/98/23/1070869823.db2.gz MMBXLKCKOSYELO-LJQANCHMSA-N 0 0 491.614 0.143 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000828062373 1071276197 /nfs/dbraw/zinc/27/61/97/1071276197.db2.gz HUFJNRMFKXOSJS-AWEZNQCLSA-N 0 0 469.947 0.926 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000828062390 1071276075 /nfs/dbraw/zinc/27/60/75/1071276075.db2.gz HUFJNRMFKXOSJS-CQSZACIVSA-N 0 0 469.947 0.926 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(C)=O)CC1 ZINC000828067234 1071276318 /nfs/dbraw/zinc/27/63/18/1071276318.db2.gz DZPKXOXHWOMGEO-KRWDZBQOSA-N 0 0 464.544 0.518 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(C)=O)CC1 ZINC000828067236 1071276398 /nfs/dbraw/zinc/27/63/98/1071276398.db2.gz DZPKXOXHWOMGEO-QGZVFWFLSA-N 0 0 464.544 0.518 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000828073506 1071276043 /nfs/dbraw/zinc/27/60/43/1071276043.db2.gz RJMMORZDRUGSIA-RDJZCZTQSA-N 0 0 499.611 0.863 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000828073516 1071276450 /nfs/dbraw/zinc/27/64/50/1071276450.db2.gz RJMMORZDRUGSIA-WBVHZDCISA-N 0 0 499.611 0.863 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000828091649 1071276209 /nfs/dbraw/zinc/27/62/09/1071276209.db2.gz UAXIEJBIGVJIKL-HOTGVXAUSA-N 0 0 464.544 0.694 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000828091650 1071276341 /nfs/dbraw/zinc/27/63/41/1071276341.db2.gz UAXIEJBIGVJIKL-JKSUJKDBSA-N 0 0 464.544 0.694 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000828101672 1071277074 /nfs/dbraw/zinc/27/70/74/1071277074.db2.gz UKSWTXLZZSKJLC-INMHGKMJSA-N 0 0 499.611 0.861 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000828101673 1071277206 /nfs/dbraw/zinc/27/72/06/1071277206.db2.gz UKSWTXLZZSKJLC-VYDXJSESSA-N 0 0 499.611 0.861 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)CC1 ZINC000830017096 1071290690 /nfs/dbraw/zinc/29/06/90/1071290690.db2.gz VBDOOZURZDRHQM-UHFFFAOYSA-N 0 0 462.470 0.721 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCNC(=O)Cc2ccccc2)CC1 ZINC000830962697 1071298588 /nfs/dbraw/zinc/29/85/88/1071298588.db2.gz ZICKLKOHMJYSFO-UHFFFAOYSA-N 0 0 498.561 0.683 20 30 JCEDRN C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000831243313 1071302032 /nfs/dbraw/zinc/30/20/32/1071302032.db2.gz HAMXMKOISFMIMM-AWEZNQCLSA-N 0 0 473.507 0.787 20 30 JCEDRN C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000831243316 1071302116 /nfs/dbraw/zinc/30/21/16/1071302116.db2.gz HAMXMKOISFMIMM-CQSZACIVSA-N 0 0 473.507 0.787 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000831243390 1071302288 /nfs/dbraw/zinc/30/22/88/1071302288.db2.gz JEGBUKVMRYGDTC-KBPBESRZSA-N 0 0 471.557 0.083 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000831243391 1071302138 /nfs/dbraw/zinc/30/21/38/1071302138.db2.gz JEGBUKVMRYGDTC-UONOGXRCSA-N 0 0 471.557 0.083 20 30 JCEDRN C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000831243789 1071302355 /nfs/dbraw/zinc/30/23/55/1071302355.db2.gz OEBUITFUXMWAMP-LBPRGKRZSA-N 0 0 465.509 0.699 20 30 JCEDRN C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000831250268 1071302090 /nfs/dbraw/zinc/30/20/90/1071302090.db2.gz VRWHDSUFRNUWTD-GJZGRUSLSA-N 0 0 473.507 0.955 20 30 JCEDRN C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000831250269 1071302204 /nfs/dbraw/zinc/30/22/04/1071302204.db2.gz VRWHDSUFRNUWTD-LSDHHAIUSA-N 0 0 473.507 0.955 20 30 JCEDRN C[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000831543017 1071305249 /nfs/dbraw/zinc/30/52/49/1071305249.db2.gz BJPSWLUOHKUZLV-HOTGVXAUSA-N 0 0 478.571 0.941 20 30 JCEDRN C[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000831543018 1071305037 /nfs/dbraw/zinc/30/50/37/1071305037.db2.gz BJPSWLUOHKUZLV-JKSUJKDBSA-N 0 0 478.571 0.941 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000831544413 1071305188 /nfs/dbraw/zinc/30/51/88/1071305188.db2.gz VQSTXPYVONUPLL-INIZCTEOSA-N 0 0 478.571 0.908 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000831544416 1071305095 /nfs/dbraw/zinc/30/50/95/1071305095.db2.gz VQSTXPYVONUPLL-MRXNPFEDSA-N 0 0 478.571 0.908 20 30 JCEDRN C[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 ZINC000831544464 1071305129 /nfs/dbraw/zinc/30/51/29/1071305129.db2.gz XKHKNJSLVAFELJ-HNNXBMFYSA-N 0 0 478.571 0.941 20 30 JCEDRN C[C@@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 ZINC000831544465 1071305148 /nfs/dbraw/zinc/30/51/48/1071305148.db2.gz XKHKNJSLVAFELJ-OAHLLOKOSA-N 0 0 478.571 0.941 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000831630924 1071305941 /nfs/dbraw/zinc/30/59/41/1071305941.db2.gz YIBTZDSFBNVSJY-CABCVRRESA-N 0 0 455.558 0.310 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000831630925 1071305791 /nfs/dbraw/zinc/30/57/91/1071305791.db2.gz YIBTZDSFBNVSJY-GJZGRUSLSA-N 0 0 455.558 0.310 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000831630946 1071305737 /nfs/dbraw/zinc/30/57/37/1071305737.db2.gz YYXDRCWADCNXPD-CVEARBPZSA-N 0 0 469.585 0.700 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000831630947 1071306070 /nfs/dbraw/zinc/30/60/70/1071306070.db2.gz YYXDRCWADCNXPD-HOTGVXAUSA-N 0 0 469.585 0.700 20 30 JCEDRN Cc1nc(SCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c(C)c1C ZINC000834313536 1071320261 /nfs/dbraw/zinc/32/02/61/1071320261.db2.gz PHWCZXNCDICFPZ-KRWDZBQOSA-N 0 0 480.612 0.845 20 30 JCEDRN Cc1nc(SCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c(C)c1C ZINC000834313537 1071320364 /nfs/dbraw/zinc/32/03/64/1071320364.db2.gz PHWCZXNCDICFPZ-QGZVFWFLSA-N 0 0 480.612 0.845 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000834834388 1071324779 /nfs/dbraw/zinc/32/47/79/1071324779.db2.gz FJEDDSDSSYWLIG-UHFFFAOYSA-N 0 0 453.498 0.594 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000834835149 1071324489 /nfs/dbraw/zinc/32/44/89/1071324489.db2.gz QZHHGUQXPVEQON-UHFFFAOYSA-N 0 0 453.498 0.594 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837001342 1071330192 /nfs/dbraw/zinc/33/01/92/1071330192.db2.gz AGWHALWDQIEVTF-DOTOQJQBSA-N 0 0 457.574 0.844 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837001343 1071330232 /nfs/dbraw/zinc/33/02/32/1071330232.db2.gz AGWHALWDQIEVTF-NVXWUHKLSA-N 0 0 457.574 0.844 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837001344 1071330261 /nfs/dbraw/zinc/33/02/61/1071330261.db2.gz AGWHALWDQIEVTF-RDJZCZTQSA-N 0 0 457.574 0.844 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837001345 1071330248 /nfs/dbraw/zinc/33/02/48/1071330248.db2.gz AGWHALWDQIEVTF-WBVHZDCISA-N 0 0 457.574 0.844 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837040243 1071330752 /nfs/dbraw/zinc/33/07/52/1071330752.db2.gz FVISQIURGSNWLI-DOTOQJQBSA-N 0 0 487.600 0.886 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837040253 1071330514 /nfs/dbraw/zinc/33/05/14/1071330514.db2.gz FVISQIURGSNWLI-NVXWUHKLSA-N 0 0 487.600 0.886 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837040255 1071330587 /nfs/dbraw/zinc/33/05/87/1071330587.db2.gz FVISQIURGSNWLI-RDJZCZTQSA-N 0 0 487.600 0.886 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837040258 1071330693 /nfs/dbraw/zinc/33/06/93/1071330693.db2.gz FVISQIURGSNWLI-WBVHZDCISA-N 0 0 487.600 0.886 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837040902 1071330115 /nfs/dbraw/zinc/33/01/15/1071330115.db2.gz IVEQOHCVYQGMFQ-GDBMZVCRSA-N 0 0 473.573 0.544 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837040913 1071329948 /nfs/dbraw/zinc/32/99/48/1071329948.db2.gz IVEQOHCVYQGMFQ-GOEBONIOSA-N 0 0 473.573 0.544 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837040914 1071330172 /nfs/dbraw/zinc/33/01/72/1071330172.db2.gz IVEQOHCVYQGMFQ-HOCLYGCPSA-N 0 0 473.573 0.544 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000837040915 1071330673 /nfs/dbraw/zinc/33/06/73/1071330673.db2.gz IVEQOHCVYQGMFQ-ZBFHGGJFSA-N 0 0 473.573 0.544 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000837358879 1071331004 /nfs/dbraw/zinc/33/10/04/1071331004.db2.gz BTLWJDYYKHXKAX-UHFFFAOYSA-N 0 0 494.577 0.279 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NC(C)C ZINC000837358911 1071330990 /nfs/dbraw/zinc/33/09/90/1071330990.db2.gz CVSMEBBRBXABMD-UHFFFAOYSA-N 0 0 466.567 0.945 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NC1CC1 ZINC000837358978 1071331246 /nfs/dbraw/zinc/33/12/46/1071331246.db2.gz FABLZTSDNSHLGD-UHFFFAOYSA-N 0 0 464.551 0.699 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000837504781 1071331760 /nfs/dbraw/zinc/33/17/60/1071331760.db2.gz DLVFDDSTVCHPGU-UHFFFAOYSA-N 0 0 450.524 0.262 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000837505476 1071331697 /nfs/dbraw/zinc/33/16/97/1071331697.db2.gz IXXYMMBCWNSOOK-UHFFFAOYSA-N 0 0 477.594 0.568 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NCCCOCC ZINC000837509875 1071331588 /nfs/dbraw/zinc/33/15/88/1071331588.db2.gz WPWOYLYJENSPGW-UHFFFAOYSA-N 0 0 466.567 0.946 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NCCCOC ZINC000837509885 1071331567 /nfs/dbraw/zinc/33/15/67/1071331567.db2.gz XARQXPPOIONARQ-UHFFFAOYSA-N 0 0 452.540 0.556 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000837519604 1071331736 /nfs/dbraw/zinc/33/17/36/1071331736.db2.gz AWDBDVYCGQUNCS-UHFFFAOYSA-N 0 0 492.605 0.914 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000837519611 1071332001 /nfs/dbraw/zinc/33/20/01/1071332001.db2.gz BDIUJIKSHHGUFA-UHFFFAOYSA-N 0 0 451.508 0.966 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000837520175 1071331622 /nfs/dbraw/zinc/33/16/22/1071331622.db2.gz JDIPIBXORZVLLU-UHFFFAOYSA-N 0 0 462.579 0.905 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000837520275 1071331917 /nfs/dbraw/zinc/33/19/17/1071331917.db2.gz KHXRHKTUBRKYLU-UHFFFAOYSA-N 0 0 492.605 0.914 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000837521757 1071331809 /nfs/dbraw/zinc/33/18/09/1071331809.db2.gz XZHRFSYIYVNIIF-UHFFFAOYSA-N 0 0 496.505 0.874 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000837522786 1071331787 /nfs/dbraw/zinc/33/17/87/1071331787.db2.gz JJGNXCXBSJPPND-UHFFFAOYSA-N 0 0 481.578 0.932 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(-c3ccccc3)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000837540688 1071331829 /nfs/dbraw/zinc/33/18/29/1071331829.db2.gz YXFMLMHROBEMAN-UHFFFAOYSA-N 0 0 492.605 0.457 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@@H]1CCCO1 ZINC000837824654 1071332320 /nfs/dbraw/zinc/33/23/20/1071332320.db2.gz PGPUYASCVIDVAH-SFHVURJKSA-N 0 0 462.535 0.475 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@H]1CCCO1 ZINC000837825287 1071332486 /nfs/dbraw/zinc/33/24/86/1071332486.db2.gz RBHPUWHBCPMYIL-GOSISDBHSA-N 0 0 464.551 0.697 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@@H]1CCCO1 ZINC000837825289 1071332527 /nfs/dbraw/zinc/33/25/27/1071332527.db2.gz RBHPUWHBCPMYIL-SFHVURJKSA-N 0 0 464.551 0.697 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@@H]1CCCO1 ZINC000837828837 1071332340 /nfs/dbraw/zinc/33/23/40/1071332340.db2.gz RRIWQWQERDKONT-IBGZPJMESA-N 0 0 478.578 0.945 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@H]1CCCO1 ZINC000837828843 1071332428 /nfs/dbraw/zinc/33/24/28/1071332428.db2.gz RRIWQWQERDKONT-LJQANCHMSA-N 0 0 478.578 0.945 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@H]1CCCO1 ZINC000837830396 1071332266 /nfs/dbraw/zinc/33/22/66/1071332266.db2.gz WMXSKHBJWISBBD-GOSISDBHSA-N 0 0 464.551 0.699 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@@H]1CCCO1 ZINC000837830397 1071332399 /nfs/dbraw/zinc/33/23/99/1071332399.db2.gz WMXSKHBJWISBBD-SFHVURJKSA-N 0 0 464.551 0.699 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000837843380 1071332974 /nfs/dbraw/zinc/33/29/74/1071332974.db2.gz AHTGNVAKXPTDGD-KRWDZBQOSA-N 0 0 493.545 0.735 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000837843412 1071332796 /nfs/dbraw/zinc/33/27/96/1071332796.db2.gz AHTGNVAKXPTDGD-QGZVFWFLSA-N 0 0 493.545 0.735 20 30 JCEDRN COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@H]2CCCO2)c1 ZINC000837848209 1071332987 /nfs/dbraw/zinc/33/29/87/1071332987.db2.gz QXWMLSXSLPXZMC-GOSISDBHSA-N 0 0 465.535 0.973 20 30 JCEDRN COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@@H]2CCCO2)c1 ZINC000837848211 1071332910 /nfs/dbraw/zinc/33/29/10/1071332910.db2.gz QXWMLSXSLPXZMC-SFHVURJKSA-N 0 0 465.535 0.973 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000837848795 1071333116 /nfs/dbraw/zinc/33/31/16/1071333116.db2.gz JCDAXQPLAKQRNN-INIZCTEOSA-N 0 0 451.556 0.692 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000837848796 1071332885 /nfs/dbraw/zinc/33/28/85/1071332885.db2.gz JCDAXQPLAKQRNN-MRXNPFEDSA-N 0 0 451.556 0.692 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000837852936 1071332838 /nfs/dbraw/zinc/33/28/38/1071332838.db2.gz ZRILTHFAWYVHFF-KRWDZBQOSA-N 0 0 459.572 0.257 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000837852941 1071333107 /nfs/dbraw/zinc/33/31/07/1071333107.db2.gz ZRILTHFAWYVHFF-QGZVFWFLSA-N 0 0 459.572 0.257 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000837863142 1071332816 /nfs/dbraw/zinc/33/28/16/1071332816.db2.gz HCZJRQSSLRKBOB-FQEVSTJZSA-N 0 0 491.573 0.636 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 ZINC000837863148 1071333060 /nfs/dbraw/zinc/33/30/60/1071333060.db2.gz HCZJRQSSLRKBOB-HXUWFJFHSA-N 0 0 491.573 0.636 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000837864736 1071333735 /nfs/dbraw/zinc/33/37/35/1071333735.db2.gz HPSKLUPYZUXTBN-FQEVSTJZSA-N 0 0 493.589 0.930 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 ZINC000837864743 1071333523 /nfs/dbraw/zinc/33/35/23/1071333523.db2.gz HPSKLUPYZUXTBN-HXUWFJFHSA-N 0 0 493.589 0.930 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000837865982 1071333718 /nfs/dbraw/zinc/33/37/18/1071333718.db2.gz SPHWUGQCPWGYRN-IBGZPJMESA-N 0 0 479.562 0.540 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 ZINC000837865983 1071333505 /nfs/dbraw/zinc/33/35/05/1071333505.db2.gz SPHWUGQCPWGYRN-LJQANCHMSA-N 0 0 479.562 0.540 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(OC)cc1 ZINC000837965745 1071334162 /nfs/dbraw/zinc/33/41/62/1071334162.db2.gz AYQBOGHYOFXATL-UHFFFAOYSA-N 0 0 467.551 0.356 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2Cc2ccc(OC)cc2)CC1 ZINC000837968245 1071334230 /nfs/dbraw/zinc/33/42/30/1071334230.db2.gz XWNOOAIULAYNFX-UHFFFAOYSA-N 0 0 492.605 0.367 20 30 JCEDRN COc1ccc(Cn2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000837968265 1071334264 /nfs/dbraw/zinc/33/42/64/1071334264.db2.gz YTINNQVBSFFKMW-UHFFFAOYSA-N 0 0 465.535 0.062 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(OC)cc1 ZINC000837970196 1071333931 /nfs/dbraw/zinc/33/39/31/1071333931.db2.gz ZMRHZHGSWMDJDQ-UHFFFAOYSA-N 0 0 481.578 0.746 20 30 JCEDRN COc1ccc(Cn2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCC(C)C)cc1 ZINC000837970973 1071334142 /nfs/dbraw/zinc/33/41/42/1071334142.db2.gz KHHNHVWSOKFITQ-UHFFFAOYSA-N 0 0 451.552 0.975 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000838102984 1071334692 /nfs/dbraw/zinc/33/46/92/1071334692.db2.gz BRJGHTXJAKKPBV-UHFFFAOYSA-N 0 0 477.468 0.917 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000838161772 1071335219 /nfs/dbraw/zinc/33/52/19/1071335219.db2.gz BBUJWENXZAPEPK-CYBMUJFWSA-N 0 0 467.494 0.812 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2OC(F)F)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000838161774 1071335025 /nfs/dbraw/zinc/33/50/25/1071335025.db2.gz BBUJWENXZAPEPK-ZDUSSCGKSA-N 0 0 467.494 0.812 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCOC ZINC000838162320 1071335069 /nfs/dbraw/zinc/33/50/69/1071335069.db2.gz HKHZXPUOVRBLSV-UHFFFAOYSA-N 0 0 461.540 0.611 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000838163271 1071335283 /nfs/dbraw/zinc/33/52/83/1071335283.db2.gz OPBWZFVYASXYGC-CYBMUJFWSA-N 0 0 480.384 0.973 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000838163273 1071335308 /nfs/dbraw/zinc/33/53/08/1071335308.db2.gz OPBWZFVYASXYGC-ZDUSSCGKSA-N 0 0 480.384 0.973 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NCC(C)C ZINC000838163932 1071335118 /nfs/dbraw/zinc/33/51/18/1071335118.db2.gz TUPXCVSTDIIESN-UHFFFAOYSA-N 0 0 475.567 0.857 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000838166310 1071335795 /nfs/dbraw/zinc/33/57/95/1071335795.db2.gz QHIYZPKXOZONIC-CYBMUJFWSA-N 0 0 480.384 0.973 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000838166313 1071335701 /nfs/dbraw/zinc/33/57/01/1071335701.db2.gz QHIYZPKXOZONIC-ZDUSSCGKSA-N 0 0 480.384 0.973 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000838169591 1071335823 /nfs/dbraw/zinc/33/58/23/1071335823.db2.gz XTVRWTZTDAACLD-UHFFFAOYSA-N 0 0 455.536 0.889 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000838176107 1071335589 /nfs/dbraw/zinc/33/55/89/1071335589.db2.gz QESACWGVRGTPNZ-CYBMUJFWSA-N 0 0 467.494 0.812 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC(F)F)cc2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000838176108 1071335640 /nfs/dbraw/zinc/33/56/40/1071335640.db2.gz QESACWGVRGTPNZ-ZDUSSCGKSA-N 0 0 467.494 0.812 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1CCOC ZINC000838176640 1071335856 /nfs/dbraw/zinc/33/58/56/1071335856.db2.gz FGSMOWUCLBEHJT-UHFFFAOYSA-N 0 0 461.540 0.611 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)NCC(C)C ZINC000838177345 1071335778 /nfs/dbraw/zinc/33/57/78/1071335778.db2.gz MCYXLUNVOAHPAB-UHFFFAOYSA-N 0 0 475.567 0.857 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000838181826 1071335875 /nfs/dbraw/zinc/33/58/75/1071335875.db2.gz IYAIQFHAYBQGGE-HNNXBMFYSA-N 0 0 452.536 0.759 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000838181827 1071335720 /nfs/dbraw/zinc/33/57/20/1071335720.db2.gz IYAIQFHAYBQGGE-OAHLLOKOSA-N 0 0 452.536 0.759 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000838184326 1071335756 /nfs/dbraw/zinc/33/57/56/1071335756.db2.gz QJQXHHZYCWSGDT-UHFFFAOYSA-N 0 0 455.536 0.905 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000838184392 1071335678 /nfs/dbraw/zinc/33/56/78/1071335678.db2.gz RDJUXWNFVWRVMD-CYBMUJFWSA-N 0 0 480.384 0.973 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000838184394 1071335844 /nfs/dbraw/zinc/33/58/44/1071335844.db2.gz RDJUXWNFVWRVMD-ZDUSSCGKSA-N 0 0 480.384 0.973 20 30 JCEDRN COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)c1C ZINC000838203134 1071335739 /nfs/dbraw/zinc/33/57/39/1071335739.db2.gz ZHURVYVAQQRJAH-UHFFFAOYSA-N 0 0 460.600 0.896 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Br)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000838207359 1071335909 /nfs/dbraw/zinc/33/59/09/1071335909.db2.gz DRDTZBMFWAPDGE-UHFFFAOYSA-N 0 0 484.397 0.742 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)n(C4CC4)c3C)c(=O)n2CCOC)CC1 ZINC000838209987 1071335930 /nfs/dbraw/zinc/33/59/30/1071335930.db2.gz FCMITHGZIVPKHL-UHFFFAOYSA-N 0 0 483.638 0.977 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(C3CC3)c2C)c(=O)n1CCOC ZINC000838210173 1071335890 /nfs/dbraw/zinc/33/58/90/1071335890.db2.gz FRULCZLGNNEYQF-UHFFFAOYSA-N 0 0 458.584 0.965 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NCC(C)C ZINC000838235360 1071336297 /nfs/dbraw/zinc/33/62/97/1071336297.db2.gz GZFLXQNXOZAMAM-UHFFFAOYSA-N 0 0 459.524 0.569 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCOC ZINC000838238777 1071336246 /nfs/dbraw/zinc/33/62/46/1071336246.db2.gz CDNPEZGIUCZHFG-UHFFFAOYSA-N 0 0 473.551 0.755 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000838238824 1071336435 /nfs/dbraw/zinc/33/64/35/1071336435.db2.gz DRJKDGBFGYYDLX-UHFFFAOYSA-N 0 0 457.508 0.118 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCOC ZINC000838239042 1071336417 /nfs/dbraw/zinc/33/64/17/1071336417.db2.gz KSFHCOOPUGSFIC-UHFFFAOYSA-N 0 0 457.508 0.141 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000838239096 1071336334 /nfs/dbraw/zinc/33/63/34/1071336334.db2.gz MESMVABGNQZFHZ-UHFFFAOYSA-N 0 0 471.535 0.461 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NCC(C)C ZINC000838239138 1071336352 /nfs/dbraw/zinc/33/63/52/1071336352.db2.gz CGYHVHVNHHHOKN-UHFFFAOYSA-N 0 0 473.551 0.611 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCOC ZINC000838239294 1071336555 /nfs/dbraw/zinc/33/65/55/1071336555.db2.gz MUTMHNOEOIPBJF-UHFFFAOYSA-N 0 0 459.524 0.365 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000838239400 1071336470 /nfs/dbraw/zinc/33/64/70/1071336470.db2.gz UZHJGJOMRDTQTE-UHFFFAOYSA-N 0 0 485.562 0.898 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c3c(c2)OCCO3)sc1=C(C#N)C(=O)NC(C)C ZINC000838239710 1071336455 /nfs/dbraw/zinc/33/64/55/1071336455.db2.gz ZJIATBUZUOHQNJ-UHFFFAOYSA-N 0 0 459.524 0.364 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000838241900 1071336267 /nfs/dbraw/zinc/33/62/67/1071336267.db2.gz INMKREZYKVMJEN-UHFFFAOYSA-N 0 0 467.507 0.203 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000838241970 1071336395 /nfs/dbraw/zinc/33/63/95/1071336395.db2.gz IWIFRDKLOFYGRI-UHFFFAOYSA-N 0 0 496.568 0.281 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCOC ZINC000838242536 1071336506 /nfs/dbraw/zinc/33/65/06/1071336506.db2.gz RTJCVNIEKSSPPU-UHFFFAOYSA-N 0 0 453.524 0.830 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000838242711 1071336572 /nfs/dbraw/zinc/33/65/72/1071336572.db2.gz MNLIKFPFKBZQOB-UHFFFAOYSA-N 0 0 494.577 0.268 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000838243239 1071336234 /nfs/dbraw/zinc/33/62/34/1071336234.db2.gz PXBGJVMPYNRMPS-UHFFFAOYSA-N 0 0 497.577 0.169 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CCOC ZINC000838246290 1071336213 /nfs/dbraw/zinc/33/62/13/1071336213.db2.gz DUEYPHFUYIIGAN-UHFFFAOYSA-N 0 0 493.969 0.984 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(F)c3)c(=O)n2CCOC)CC1 ZINC000838246395 1071336522 /nfs/dbraw/zinc/33/65/22/1071336522.db2.gz NIRGWDUQWNUPLV-UHFFFAOYSA-N 0 0 474.558 0.371 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000838247423 1071336284 /nfs/dbraw/zinc/33/62/84/1071336284.db2.gz VPNKRPUYDSMHPN-UHFFFAOYSA-N 0 0 478.578 0.142 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000838247821 1071336381 /nfs/dbraw/zinc/33/63/81/1071336381.db2.gz MMQLAKXFMLYBRU-GFCCVEGCSA-N 0 0 479.942 0.592 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(c(Cl)c2)OCO3)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000838247827 1071336314 /nfs/dbraw/zinc/33/63/14/1071336314.db2.gz MMQLAKXFMLYBRU-LBPRGKRZSA-N 0 0 479.942 0.592 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CCOC ZINC000838248166 1071336488 /nfs/dbraw/zinc/33/64/88/1071336488.db2.gz LMYAZOYFXXRFKA-UHFFFAOYSA-N 0 0 465.915 0.204 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1CCOC ZINC000838257829 1071336844 /nfs/dbraw/zinc/33/68/44/1071336844.db2.gz XKELTFRNNAUVCK-AWEZNQCLSA-N 0 0 473.551 0.154 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1CCOC ZINC000838257837 1071336758 /nfs/dbraw/zinc/33/67/58/1071336758.db2.gz XKELTFRNNAUVCK-CQSZACIVSA-N 0 0 473.551 0.154 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1CCOC ZINC000838261931 1071336970 /nfs/dbraw/zinc/33/69/70/1071336970.db2.gz PBESDGAJNRROKD-AWEZNQCLSA-N 0 0 457.552 0.917 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1CCOC ZINC000838261932 1071337020 /nfs/dbraw/zinc/33/70/20/1071337020.db2.gz PBESDGAJNRROKD-CQSZACIVSA-N 0 0 457.552 0.917 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1CCOC ZINC000838262516 1071336724 /nfs/dbraw/zinc/33/67/24/1071336724.db2.gz DGWKFGXUPRBGPS-UHFFFAOYSA-N 0 0 467.551 0.398 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(-c3ccccc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000838265058 1071336991 /nfs/dbraw/zinc/33/69/91/1071336991.db2.gz QOQILAYAOTULAK-UHFFFAOYSA-N 0 0 465.535 0.104 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1CCOC ZINC000838265460 1071336895 /nfs/dbraw/zinc/33/68/95/1071336895.db2.gz UXZKKQNOTAZCEA-UHFFFAOYSA-N 0 0 453.524 0.008 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(-c4ccccc4)c3)c(=O)n2CCOC)CC1 ZINC000838265675 1071336931 /nfs/dbraw/zinc/33/69/31/1071336931.db2.gz VEKSECYTVCBSQU-UHFFFAOYSA-N 0 0 492.605 0.409 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1CCOC ZINC000838270774 1071336784 /nfs/dbraw/zinc/33/67/84/1071336784.db2.gz DAENZRHVSCNRLB-UHFFFAOYSA-N 0 0 451.552 0.830 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(C)n(-c3cc(C)on3)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000838275722 1071336856 /nfs/dbraw/zinc/33/68/56/1071336856.db2.gz CXNOPGMVKUWVBW-UHFFFAOYSA-N 0 0 497.577 0.622 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3cc(C)on3)c2C)c(=O)n1CCOC ZINC000838277121 1071337037 /nfs/dbraw/zinc/33/70/37/1071337037.db2.gz JIWRZMMYUVHVGO-UHFFFAOYSA-N 0 0 485.566 0.526 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3cc(C)on3)c2C)c(=O)n1CCOC ZINC000838277123 1071336770 /nfs/dbraw/zinc/33/67/70/1071336770.db2.gz JJVHEDGJJNIOHA-UHFFFAOYSA-N 0 0 499.593 0.916 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC[C@@H]3CCCO3)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000838278906 1071337054 /nfs/dbraw/zinc/33/70/54/1071337054.db2.gz DFPMGLYJYKQPFV-FQEVSTJZSA-N 0 0 499.589 0.476 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC[C@H]3CCCO3)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000838278912 1071336742 /nfs/dbraw/zinc/33/67/42/1071336742.db2.gz DFPMGLYJYKQPFV-HXUWFJFHSA-N 0 0 499.589 0.476 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC[C@@H]3CCCO3)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000838281032 1071336876 /nfs/dbraw/zinc/33/68/76/1071336876.db2.gz WXWQNLBWLDPUTQ-IBGZPJMESA-N 0 0 469.563 0.896 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC[C@H]3CCCO3)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000838281033 1071336912 /nfs/dbraw/zinc/33/69/12/1071336912.db2.gz WXWQNLBWLDPUTQ-LJQANCHMSA-N 0 0 469.563 0.896 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)cc1 ZINC000839221384 1071337404 /nfs/dbraw/zinc/33/74/04/1071337404.db2.gz BIYPLFHKVBTSFU-UHFFFAOYSA-N 0 0 457.943 0.942 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000839221651 1071337378 /nfs/dbraw/zinc/33/73/78/1071337378.db2.gz CNIPBIDNPAHNKK-FMKPAKJESA-N 0 0 485.584 0.519 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000839221652 1071337242 /nfs/dbraw/zinc/33/72/42/1071337242.db2.gz CNIPBIDNPAHNKK-YCPHGPKFSA-N 0 0 485.584 0.519 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccc(Cl)cc3)c2=O)cn1 ZINC000839222665 1071337538 /nfs/dbraw/zinc/33/75/38/1071337538.db2.gz IYGQLSLDBNHRFC-UHFFFAOYSA-N 0 0 498.996 0.237 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)cc1 ZINC000839223008 1071337553 /nfs/dbraw/zinc/33/75/53/1071337553.db2.gz KMBVBLQQZJKYEC-CYBMUJFWSA-N 0 0 457.943 0.940 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)cc1 ZINC000839223078 1071337309 /nfs/dbraw/zinc/33/73/09/1071337309.db2.gz KMBVBLQQZJKYEC-ZDUSSCGKSA-N 0 0 457.943 0.940 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(Cl)cc2)CC1 ZINC000839223700 1071337561 /nfs/dbraw/zinc/33/75/61/1071337561.db2.gz NUAPULSAOSYEEH-UHFFFAOYSA-N 0 0 482.997 0.953 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(Cl)cc3)c2=O)cn1 ZINC000839225334 1071337512 /nfs/dbraw/zinc/33/75/12/1071337512.db2.gz UYGCXLLYBQLUKC-UHFFFAOYSA-N 0 0 455.927 0.648 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1Cc1ccccc1 ZINC000839226411 1071337474 /nfs/dbraw/zinc/33/74/74/1071337474.db2.gz BMSYTNALHQVXNE-UHFFFAOYSA-N 0 0 486.557 0.804 20 30 JCEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1Cc1ccccc1 ZINC000839227593 1071337457 /nfs/dbraw/zinc/33/74/57/1071337457.db2.gz ZNFWGKDUUFNRJK-UHFFFAOYSA-N 0 0 498.568 0.901 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 ZINC000839229301 1071337444 /nfs/dbraw/zinc/33/74/44/1071337444.db2.gz HRIPVNYHAHMIAO-UHFFFAOYSA-N 0 0 451.552 0.737 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2Cc2ccccc2)CC1 ZINC000839230280 1071337342 /nfs/dbraw/zinc/33/73/42/1071337342.db2.gz NBZKJDGWZUENGM-UHFFFAOYSA-N 0 0 462.579 0.359 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc(C)cc2)CC1 ZINC000839237206 1071337272 /nfs/dbraw/zinc/33/72/72/1071337272.db2.gz FKQUTNUPRIZWPU-UHFFFAOYSA-N 0 0 462.579 0.608 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1 ZINC000839237283 1071337502 /nfs/dbraw/zinc/33/75/02/1071337502.db2.gz GZLDDHDYHOWQME-UHFFFAOYSA-N 0 0 451.552 0.987 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccc1 ZINC000839244643 1071337584 /nfs/dbraw/zinc/33/75/84/1071337584.db2.gz INBMLMMVTHORKK-UHFFFAOYSA-N 0 0 451.552 0.542 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCc2ccccc2)CC1 ZINC000839244652 1071337420 /nfs/dbraw/zinc/33/74/20/1071337420.db2.gz IOTKTVSJGURVSR-UHFFFAOYSA-N 0 0 476.606 0.553 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccc1 ZINC000839244847 1071337527 /nfs/dbraw/zinc/33/75/27/1071337527.db2.gz LHJDXFGKVFTYBT-UHFFFAOYSA-N 0 0 465.579 0.932 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCCOC)cc1 ZINC000839250008 1071337220 /nfs/dbraw/zinc/33/72/20/1071337220.db2.gz DIFCGILCTZPSQZ-UHFFFAOYSA-N 0 0 451.552 0.851 20 30 JCEDRN CCc1ccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000839250087 1071337325 /nfs/dbraw/zinc/33/73/25/1071337325.db2.gz GHYCEBMGWONTEE-UHFFFAOYSA-N 0 0 492.605 0.146 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000843758111 1069366624 /nfs/dbraw/zinc/36/66/24/1069366624.db2.gz JRACUWNVKFYGBL-KRWDZBQOSA-N 0 0 477.587 0.335 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000843758112 1069366342 /nfs/dbraw/zinc/36/63/42/1069366342.db2.gz JRACUWNVKFYGBL-QGZVFWFLSA-N 0 0 477.587 0.335 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000843759703 1069366389 /nfs/dbraw/zinc/36/63/89/1069366389.db2.gz UWWQMIROCKQWAK-KRWDZBQOSA-N 0 0 477.587 0.479 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000843759704 1069366675 /nfs/dbraw/zinc/36/66/75/1069366675.db2.gz UWWQMIROCKQWAK-QGZVFWFLSA-N 0 0 477.587 0.479 20 30 JCEDRN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000844146073 1070400974 /nfs/dbraw/zinc/40/09/74/1070400974.db2.gz ISTYPVDPUCNJIK-UHFFFAOYSA-N 0 0 458.496 0.987 20 30 JCEDRN Cn1cc(/C=C2\CC(C(C)(C)C)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000844152273 1070400285 /nfs/dbraw/zinc/40/02/85/1070400285.db2.gz CHTADWWLEMWVCN-DJJIWSAGSA-N 0 0 454.527 0.974 20 30 JCEDRN Cn1cc(/C=C2/CC(C(C)(C)C)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000844152276 1070400152 /nfs/dbraw/zinc/40/01/52/1070400152.db2.gz CHTADWWLEMWVCN-SFGFDRCGSA-N 0 0 454.527 0.974 20 30 JCEDRN Cn1cc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000844153184 1070400321 /nfs/dbraw/zinc/40/03/21/1070400321.db2.gz XPDFDAUPWQZVOB-ICFDZUSXSA-N 0 0 499.527 0.773 20 30 JCEDRN Cn1cc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000844153185 1070400366 /nfs/dbraw/zinc/40/03/66/1070400366.db2.gz XPDFDAUPWQZVOB-IWSCKCOWSA-N 0 0 499.527 0.773 20 30 JCEDRN Cn1cc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000844153530 1070400116 /nfs/dbraw/zinc/40/01/16/1070400116.db2.gz WPBMMLCCAHEJKB-BJPQZVBLSA-N 0 0 489.532 0.033 20 30 JCEDRN Cn1cc(/C=C2\CN(Cc3ccccc3)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O ZINC000844153531 1070399990 /nfs/dbraw/zinc/39/99/90/1070399990.db2.gz WPBMMLCCAHEJKB-OMYAATJGSA-N 0 0 489.532 0.033 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)Nc1ccccn1 ZINC000844253793 1070406583 /nfs/dbraw/zinc/40/65/83/1070406583.db2.gz AKARLECZTLCSKY-UHFFFAOYSA-N 0 0 491.508 0.813 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOC ZINC000844254018 1070406690 /nfs/dbraw/zinc/40/66/90/1070406690.db2.gz HPINREMZOPAAPX-UHFFFAOYSA-N 0 0 454.487 0.081 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOC ZINC000844254190 1070405810 /nfs/dbraw/zinc/40/58/10/1070405810.db2.gz IWVQDSGXAUTMNB-UHFFFAOYSA-N 0 0 470.530 0.695 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000844254201 1070405617 /nfs/dbraw/zinc/40/56/17/1070405617.db2.gz IZECQEJDBYBDHZ-UHFFFAOYSA-N 0 0 482.541 0.838 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000844254393 1070406713 /nfs/dbraw/zinc/40/67/13/1070406713.db2.gz NZNXJCJIIVKFIK-UHFFFAOYSA-N 0 0 494.508 0.688 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCC(C)C ZINC000844254398 1070406484 /nfs/dbraw/zinc/40/64/84/1070406484.db2.gz OCOINKMRTGEASO-UHFFFAOYSA-N 0 0 470.530 0.551 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000844254415 1070406510 /nfs/dbraw/zinc/40/65/10/1070406510.db2.gz QCSGSYZDZASKIH-UHFFFAOYSA-N 0 0 454.487 0.058 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOC ZINC000844254421 1070406647 /nfs/dbraw/zinc/40/66/47/1070406647.db2.gz RPMVUSYJKUCKQO-UHFFFAOYSA-N 0 0 456.503 0.305 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000844254555 1070406609 /nfs/dbraw/zinc/40/66/09/1070406609.db2.gz VNWUPJJZLARMSA-UHFFFAOYSA-N 0 0 468.514 0.401 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000844254639 1070406725 /nfs/dbraw/zinc/40/67/25/1070406725.db2.gz YHACSJZGNVCNJC-UHFFFAOYSA-N 0 0 456.503 0.304 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc2)CC1 ZINC000844267170 1070408185 /nfs/dbraw/zinc/40/81/85/1070408185.db2.gz NYAAGYHXJDIWFN-UHFFFAOYSA-N 0 0 475.527 0.352 20 30 JCEDRN O=C(CON=C1C(=O)Nc2cc3c(cc21)OCCO3)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000852326858 1069956120 /nfs/dbraw/zinc/95/61/20/1069956120.db2.gz POSWQTWIXJYMSJ-UHFFFAOYSA-N 0 0 480.477 0.919 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000852963954 1069962420 /nfs/dbraw/zinc/96/24/20/1069962420.db2.gz IBRFLXBKDRODDT-HNNXBMFYSA-N 0 0 469.947 0.634 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000852963955 1069962303 /nfs/dbraw/zinc/96/23/03/1069962303.db2.gz IBRFLXBKDRODDT-OAHLLOKOSA-N 0 0 469.947 0.634 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000852965307 1069962276 /nfs/dbraw/zinc/96/22/76/1069962276.db2.gz ZRJDRPSDWIXWKV-GOSISDBHSA-N 0 0 463.556 0.598 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000852965312 1069962429 /nfs/dbraw/zinc/96/24/29/1069962429.db2.gz ZRJDRPSDWIXWKV-SFHVURJKSA-N 0 0 463.556 0.598 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC000852996881 1069964042 /nfs/dbraw/zinc/96/40/42/1069964042.db2.gz ISJIYRHWISBCTF-HNNXBMFYSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC000852996882 1069963933 /nfs/dbraw/zinc/96/39/33/1069963933.db2.gz ISJIYRHWISBCTF-OAHLLOKOSA-N 0 0 450.513 0.945 20 30 JCEDRN O=C(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000853142219 1069966928 /nfs/dbraw/zinc/96/69/28/1069966928.db2.gz QAABHTUGHSCONJ-INIZCTEOSA-N 0 0 499.467 0.882 20 30 JCEDRN O=C(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000853142220 1069966912 /nfs/dbraw/zinc/96/69/12/1069966912.db2.gz QAABHTUGHSCONJ-MRXNPFEDSA-N 0 0 499.467 0.882 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cc2C1=O ZINC000853261041 1069970806 /nfs/dbraw/zinc/97/08/06/1069970806.db2.gz BTDPOHDRECYEDA-UHFFFAOYSA-N 0 0 489.492 0.651 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@@H](C)C(=O)N3CCN(C(C)=O)CC3)n2c2ccccc2c1=O ZINC000853658054 1069972454 /nfs/dbraw/zinc/97/24/54/1069972454.db2.gz ZRJBLROOXFPVEJ-HNNXBMFYSA-N 0 0 498.565 0.945 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@H](C)C(=O)N3CCN(C(C)=O)CC3)n2c2ccccc2c1=O ZINC000853658055 1069972558 /nfs/dbraw/zinc/97/25/58/1069972558.db2.gz ZRJBLROOXFPVEJ-OAHLLOKOSA-N 0 0 498.565 0.945 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccccc1Cn1cccn1 ZINC000853663388 1069972410 /nfs/dbraw/zinc/97/24/10/1069972410.db2.gz BJXHGJZPOXEPLH-UHFFFAOYSA-N 0 0 467.507 0.941 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000853664089 1069973434 /nfs/dbraw/zinc/97/34/34/1069973434.db2.gz NTQAOOJMRQHBSH-UHFFFAOYSA-N 0 0 453.480 0.882 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000853664448 1069973093 /nfs/dbraw/zinc/97/30/93/1069973093.db2.gz RFCGJQVZIOCPPH-UHFFFAOYSA-N 0 0 467.507 0.924 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000853665088 1069973058 /nfs/dbraw/zinc/97/30/58/1069973058.db2.gz XSJFAEISFJASIY-UHFFFAOYSA-N 0 0 484.534 0.932 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000853665846 1069973469 /nfs/dbraw/zinc/97/34/69/1069973469.db2.gz DOMHVYAMGJDMQO-INIZCTEOSA-N 0 0 472.523 0.823 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000853665853 1069973307 /nfs/dbraw/zinc/97/33/07/1069973307.db2.gz DOMHVYAMGJDMQO-MRXNPFEDSA-N 0 0 472.523 0.823 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000853666341 1069973122 /nfs/dbraw/zinc/97/31/22/1069973122.db2.gz MILLVIRVEMFJCD-CYBMUJFWSA-N 0 0 465.509 0.810 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000853666342 1069973378 /nfs/dbraw/zinc/97/33/78/1069973378.db2.gz MILLVIRVEMFJCD-ZDUSSCGKSA-N 0 0 465.509 0.810 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000853670346 1069973243 /nfs/dbraw/zinc/97/32/43/1069973243.db2.gz ITSOXJHAUPAUGC-GJZGRUSLSA-N 0 0 485.584 0.473 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000853670347 1069973404 /nfs/dbraw/zinc/97/34/04/1069973404.db2.gz ITSOXJHAUPAUGC-LSDHHAIUSA-N 0 0 485.584 0.473 20 30 JCEDRN CN(C)C(=O)c1cccc(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000853670852 1069973325 /nfs/dbraw/zinc/97/33/25/1069973325.db2.gz VVJNEKNCRVKQMV-UHFFFAOYSA-N 0 0 458.496 0.999 20 30 JCEDRN C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000853670949 1069973182 /nfs/dbraw/zinc/97/31/82/1069973182.db2.gz BGTBQFWNCOFOHY-HNNXBMFYSA-N 0 0 472.527 0.186 20 30 JCEDRN C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000853670950 1069973161 /nfs/dbraw/zinc/97/31/61/1069973161.db2.gz BGTBQFWNCOFOHY-OAHLLOKOSA-N 0 0 472.527 0.186 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853671258 1069973193 /nfs/dbraw/zinc/97/31/93/1069973193.db2.gz KSQUYSIAEVNQGH-AWEZNQCLSA-N 0 0 466.516 0.348 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853671259 1069973417 /nfs/dbraw/zinc/97/34/17/1069973417.db2.gz KSQUYSIAEVNQGH-CQSZACIVSA-N 0 0 466.516 0.348 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853671270 1069973391 /nfs/dbraw/zinc/97/33/91/1069973391.db2.gz LDZOFYGVXYPKBH-CYBMUJFWSA-N 0 0 451.501 0.459 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853671271 1069973339 /nfs/dbraw/zinc/97/33/39/1069973339.db2.gz LDZOFYGVXYPKBH-ZDUSSCGKSA-N 0 0 451.501 0.459 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000853671328 1069973289 /nfs/dbraw/zinc/97/32/89/1069973289.db2.gz NMPANHFUCIDMOT-HUUCEWRRSA-N 0 0 465.528 0.849 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000853671329 1069974086 /nfs/dbraw/zinc/97/40/86/1069974086.db2.gz NMPANHFUCIDMOT-LSDHHAIUSA-N 0 0 465.528 0.849 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2Cn2cccn2)cc1 ZINC000853704158 1069974163 /nfs/dbraw/zinc/97/41/63/1069974163.db2.gz DBJKVELNSPVQGZ-UHFFFAOYSA-N 0 0 467.507 0.941 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000853704191 1069974222 /nfs/dbraw/zinc/97/42/22/1069974222.db2.gz DVILMKQYYAIALW-UHFFFAOYSA-N 0 0 453.480 0.882 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1 ZINC000853704513 1069974098 /nfs/dbraw/zinc/97/40/98/1069974098.db2.gz OGAQWNNFBJGIDX-UHFFFAOYSA-N 0 0 467.507 0.924 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000853705332 1069974256 /nfs/dbraw/zinc/97/42/56/1069974256.db2.gz KIVSMRCFWPIKON-UHFFFAOYSA-N 0 0 484.534 0.932 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000853706419 1069974007 /nfs/dbraw/zinc/97/40/07/1069974007.db2.gz XHQCIMSJTCDVQA-INIZCTEOSA-N 0 0 472.523 0.823 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000853706422 1069974122 /nfs/dbraw/zinc/97/41/22/1069974122.db2.gz XHQCIMSJTCDVQA-MRXNPFEDSA-N 0 0 472.523 0.823 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000853706627 1069974072 /nfs/dbraw/zinc/97/40/72/1069974072.db2.gz ZBCZKPAEKGMOKN-CYBMUJFWSA-N 0 0 465.509 0.810 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000853706628 1069974183 /nfs/dbraw/zinc/97/41/83/1069974183.db2.gz ZBCZKPAEKGMOKN-ZDUSSCGKSA-N 0 0 465.509 0.810 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000853707463 1069973992 /nfs/dbraw/zinc/97/39/92/1069973992.db2.gz JLJJVKZRQSBTKS-HOTGVXAUSA-N 0 0 499.611 0.863 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000853707464 1069973921 /nfs/dbraw/zinc/97/39/21/1069973921.db2.gz JLJJVKZRQSBTKS-JKSUJKDBSA-N 0 0 499.611 0.863 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853707470 1069973892 /nfs/dbraw/zinc/97/38/92/1069973892.db2.gz JQUZXPYVBYYGAD-AWEZNQCLSA-N 0 0 450.517 0.128 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853707471 1069974218 /nfs/dbraw/zinc/97/42/18/1069974218.db2.gz JQUZXPYVBYYGAD-CQSZACIVSA-N 0 0 450.517 0.128 20 30 JCEDRN C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NC1CC1 ZINC000853708165 1069974149 /nfs/dbraw/zinc/97/41/49/1069974149.db2.gz HDUWEKLAAPLEGE-CYBMUJFWSA-N 0 0 450.517 0.174 20 30 JCEDRN C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NC1CC1 ZINC000853708166 1069974193 /nfs/dbraw/zinc/97/41/93/1069974193.db2.gz HDUWEKLAAPLEGE-ZDUSSCGKSA-N 0 0 450.517 0.174 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853708225 1069974241 /nfs/dbraw/zinc/97/42/41/1069974241.db2.gz JGXCXIFPARLAFO-HNNXBMFYSA-N 0 0 480.543 0.738 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853708226 1069973939 /nfs/dbraw/zinc/97/39/39/1069973939.db2.gz JGXCXIFPARLAFO-OAHLLOKOSA-N 0 0 480.543 0.738 20 30 JCEDRN C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 ZINC000853708255 1069974210 /nfs/dbraw/zinc/97/42/10/1069974210.db2.gz KEIXNBMUJILHTE-CYBMUJFWSA-N 0 0 450.517 0.161 20 30 JCEDRN C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 ZINC000853708256 1069974040 /nfs/dbraw/zinc/97/40/40/1069974040.db2.gz KEIXNBMUJILHTE-ZDUSSCGKSA-N 0 0 450.517 0.161 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853708972 1069974055 /nfs/dbraw/zinc/97/40/55/1069974055.db2.gz UTSCZVVRLKUJSV-AWEZNQCLSA-N 0 0 465.528 0.849 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853708974 1069975066 /nfs/dbraw/zinc/97/50/66/1069975066.db2.gz UTSCZVVRLKUJSV-CQSZACIVSA-N 0 0 465.528 0.849 20 30 JCEDRN C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000853708990 1069974928 /nfs/dbraw/zinc/97/49/28/1069974928.db2.gz UXVSDXKWDQSBQV-KBPBESRZSA-N 0 0 450.517 0.161 20 30 JCEDRN C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000853708991 1069974791 /nfs/dbraw/zinc/97/47/91/1069974791.db2.gz UXVSDXKWDQSBQV-UONOGXRCSA-N 0 0 450.517 0.161 20 30 JCEDRN C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000853708997 1069974982 /nfs/dbraw/zinc/97/49/82/1069974982.db2.gz VAGPAXVRULSYJL-INIZCTEOSA-N 0 0 486.554 0.576 20 30 JCEDRN C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000853708998 1069975011 /nfs/dbraw/zinc/97/50/11/1069975011.db2.gz VAGPAXVRULSYJL-MRXNPFEDSA-N 0 0 486.554 0.576 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000853720551 1069975022 /nfs/dbraw/zinc/97/50/22/1069975022.db2.gz BXYBPZQQTXBIIC-UHFFFAOYSA-N 0 0 484.534 0.932 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2cnn(-c3ccccc3)c2)c1 ZINC000853720557 1069974819 /nfs/dbraw/zinc/97/48/19/1069974819.db2.gz CBSIILDQWAIPSN-UHFFFAOYSA-N 0 0 467.507 0.924 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2Cn2cccn2)c1 ZINC000853720905 1069974804 /nfs/dbraw/zinc/97/48/04/1069974804.db2.gz PAXLJRJAONYWRS-UHFFFAOYSA-N 0 0 467.507 0.941 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000853721011 1069974939 /nfs/dbraw/zinc/97/49/39/1069974939.db2.gz UMJXYGLJQHDPNV-UHFFFAOYSA-N 0 0 453.480 0.882 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000854019772 1069978562 /nfs/dbraw/zinc/97/85/62/1069978562.db2.gz YHPHTGMQZFXNLD-MAUKXSAKSA-N 0 0 478.571 0.762 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000854019774 1069978790 /nfs/dbraw/zinc/97/87/90/1069978790.db2.gz YHPHTGMQZFXNLD-YJBOKZPZSA-N 0 0 478.571 0.762 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC ZINC000854213305 1069981997 /nfs/dbraw/zinc/98/19/97/1069981997.db2.gz DJYLLGYKLFFHOT-INIZCTEOSA-N 0 0 476.555 0.691 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC ZINC000854213306 1069982135 /nfs/dbraw/zinc/98/21/35/1069982135.db2.gz DJYLLGYKLFFHOT-MRXNPFEDSA-N 0 0 476.555 0.691 20 30 JCEDRN C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000856407736 1070039466 /nfs/dbraw/zinc/03/94/66/1070039466.db2.gz AATLBFMCNRHKPX-JTQLQIEISA-N 0 0 456.484 0.426 20 30 JCEDRN C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000856407739 1070039575 /nfs/dbraw/zinc/03/95/75/1070039575.db2.gz AATLBFMCNRHKPX-SNVBAGLBSA-N 0 0 456.484 0.426 20 30 JCEDRN C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000856409109 1070039957 /nfs/dbraw/zinc/03/99/57/1070039957.db2.gz DIRHVRKXGFGUNM-CYBMUJFWSA-N 0 0 456.434 0.451 20 30 JCEDRN C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000856409110 1070039918 /nfs/dbraw/zinc/03/99/18/1070039918.db2.gz DIRHVRKXGFGUNM-ZDUSSCGKSA-N 0 0 456.434 0.451 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000856409437 1070040050 /nfs/dbraw/zinc/04/00/50/1070040050.db2.gz RBTKLZIFIIACTC-AWEZNQCLSA-N 0 0 468.470 0.321 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000856409438 1070039896 /nfs/dbraw/zinc/03/98/96/1070039896.db2.gz RBTKLZIFIIACTC-CQSZACIVSA-N 0 0 468.470 0.321 20 30 JCEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000856409562 1070040300 /nfs/dbraw/zinc/04/03/00/1070040300.db2.gz UKNLKLYCRVGUHZ-INIZCTEOSA-N 0 0 466.498 0.929 20 30 JCEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000856409563 1070040541 /nfs/dbraw/zinc/04/05/41/1070040541.db2.gz UKNLKLYCRVGUHZ-MRXNPFEDSA-N 0 0 466.498 0.929 20 30 JCEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000856409735 1070040330 /nfs/dbraw/zinc/04/03/30/1070040330.db2.gz YWOWPACNWVPTFC-HNNXBMFYSA-N 0 0 452.471 0.621 20 30 JCEDRN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000856409736 1070040651 /nfs/dbraw/zinc/04/06/51/1070040651.db2.gz YWOWPACNWVPTFC-OAHLLOKOSA-N 0 0 452.471 0.621 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000856433825 1070041917 /nfs/dbraw/zinc/04/19/17/1070041917.db2.gz CWGMYKIETRFHKM-INIZCTEOSA-N 0 0 459.528 0.835 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000856433826 1070041979 /nfs/dbraw/zinc/04/19/79/1070041979.db2.gz CWGMYKIETRFHKM-MRXNPFEDSA-N 0 0 459.528 0.835 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 ZINC000856434268 1070041665 /nfs/dbraw/zinc/04/16/65/1070041665.db2.gz XLIIQWNYUMKKLP-UHFFFAOYSA-N 0 0 499.553 0.333 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)cc1 ZINC000856434291 1070041694 /nfs/dbraw/zinc/04/16/94/1070041694.db2.gz ZGPRMVVYTGMAKX-HNNXBMFYSA-N 0 0 453.517 0.997 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)cc1 ZINC000856434292 1070041951 /nfs/dbraw/zinc/04/19/51/1070041951.db2.gz ZGPRMVVYTGMAKX-OAHLLOKOSA-N 0 0 453.517 0.997 20 30 JCEDRN O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000856454410 1070042368 /nfs/dbraw/zinc/04/23/68/1070042368.db2.gz VEXDUFSSPWQYNH-UHFFFAOYSA-N 0 0 468.413 0.686 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856539847 1070047100 /nfs/dbraw/zinc/04/71/00/1070047100.db2.gz GZYYOLRVLNUZAJ-LEWJYISDSA-N 0 0 496.593 0.242 20 30 JCEDRN O[C@@H]1C[C@H]2CN(CC#CCN3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)Cc3cccnc3N2C1 ZINC000856555618 1070049872 /nfs/dbraw/zinc/04/98/72/1070049872.db2.gz FNCKWZYPZYHSAS-CJRSTVEYSA-N 0 0 460.582 0.691 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)cc1 ZINC000856586444 1070050791 /nfs/dbraw/zinc/05/07/91/1070050791.db2.gz QUZYUFADXZLFES-UHFFFAOYSA-N 0 0 473.555 0.788 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 ZINC000856597943 1070053208 /nfs/dbraw/zinc/05/32/08/1070053208.db2.gz OAFJKJOFBDOGAR-INIZCTEOSA-N 0 0 451.545 0.848 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 ZINC000856597944 1070052712 /nfs/dbraw/zinc/05/27/12/1070052712.db2.gz OAFJKJOFBDOGAR-MRXNPFEDSA-N 0 0 451.545 0.848 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856602953 1070055035 /nfs/dbraw/zinc/05/50/35/1070055035.db2.gz VIGOURGWOFAPIU-DLBZAZTESA-N 0 0 455.540 0.882 20 30 JCEDRN C[C@@H](CC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000856611008 1070056246 /nfs/dbraw/zinc/05/62/46/1070056246.db2.gz MBQJRUKLZJKCQF-BHYGNILZSA-N 0 0 455.540 0.881 20 30 JCEDRN C[C@H](CC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000856611009 1070056036 /nfs/dbraw/zinc/05/60/36/1070056036.db2.gz MBQJRUKLZJKCQF-HYVNUMGLSA-N 0 0 455.540 0.881 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000856693551 1070067957 /nfs/dbraw/zinc/06/79/57/1070067957.db2.gz GLDLPBVTMNFYNE-AWEZNQCLSA-N 0 0 451.501 0.835 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000856693553 1070067919 /nfs/dbraw/zinc/06/79/19/1070067919.db2.gz GLDLPBVTMNFYNE-CQSZACIVSA-N 0 0 451.501 0.835 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000856694301 1070068258 /nfs/dbraw/zinc/06/82/58/1070068258.db2.gz QNKKQFMKSBCOJU-INIZCTEOSA-N 0 0 472.527 0.563 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000856694302 1070068055 /nfs/dbraw/zinc/06/80/55/1070068055.db2.gz QNKKQFMKSBCOJU-MRXNPFEDSA-N 0 0 472.527 0.563 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000856694919 1070068694 /nfs/dbraw/zinc/06/86/94/1070068694.db2.gz XPSXBCPLJIKMPW-HNNXBMFYSA-N 0 0 466.516 0.725 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000856694932 1070068453 /nfs/dbraw/zinc/06/84/53/1070068453.db2.gz XPSXBCPLJIKMPW-OAHLLOKOSA-N 0 0 466.516 0.725 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000856695112 1070068418 /nfs/dbraw/zinc/06/84/18/1070068418.db2.gz ZICSGZYDYADIBJ-DOTOQJQBSA-N 0 0 485.584 0.850 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000856695113 1070068538 /nfs/dbraw/zinc/06/85/38/1070068538.db2.gz ZICSGZYDYADIBJ-NVXWUHKLSA-N 0 0 485.584 0.850 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000856695114 1070068436 /nfs/dbraw/zinc/06/84/36/1070068436.db2.gz ZICSGZYDYADIBJ-RDJZCZTQSA-N 0 0 485.584 0.850 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000856695115 1070068763 /nfs/dbraw/zinc/06/87/63/1070068763.db2.gz ZICSGZYDYADIBJ-WBVHZDCISA-N 0 0 485.584 0.850 20 30 JCEDRN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000857157305 1070082975 /nfs/dbraw/zinc/08/29/75/1070082975.db2.gz IKSWXPGGFJUXHZ-UHFFFAOYSA-N 0 0 471.539 0.770 20 30 JCEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000857567296 1070100330 /nfs/dbraw/zinc/10/03/30/1070100330.db2.gz MKPYEUPTFJQAOV-UHFFFAOYSA-N 0 0 478.513 0.777 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000857749859 1070106458 /nfs/dbraw/zinc/10/64/58/1070106458.db2.gz DSNCCMTWYLFUGD-RUZDIDTESA-N 0 0 490.520 0.834 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000857749860 1070106584 /nfs/dbraw/zinc/10/65/84/1070106584.db2.gz DSNCCMTWYLFUGD-VWLOTQADSA-N 0 0 490.520 0.834 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000857750120 1070106574 /nfs/dbraw/zinc/10/65/74/1070106574.db2.gz QDLHNQFHTCXLIK-HSZRJFAPSA-N 0 0 454.483 0.433 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000857750121 1070106521 /nfs/dbraw/zinc/10/65/21/1070106521.db2.gz QDLHNQFHTCXLIK-QHCPKHFHSA-N 0 0 454.483 0.433 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000857750150 1070106605 /nfs/dbraw/zinc/10/66/05/1070106605.db2.gz SUZVSRVJQBOCCQ-DOMZBBRYSA-N 0 0 464.949 0.103 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000857750151 1070107510 /nfs/dbraw/zinc/10/75/10/1070107510.db2.gz SUZVSRVJQBOCCQ-IUODEOHRSA-N 0 0 464.949 0.103 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000857750152 1070107481 /nfs/dbraw/zinc/10/74/81/1070107481.db2.gz SUZVSRVJQBOCCQ-SWLSCSKDSA-N 0 0 464.949 0.103 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000857750153 1070107488 /nfs/dbraw/zinc/10/74/88/1070107488.db2.gz SUZVSRVJQBOCCQ-WFASDCNBSA-N 0 0 464.949 0.103 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br ZINC000857752084 1070107438 /nfs/dbraw/zinc/10/74/38/1070107438.db2.gz ADCYTDBRJPWPLT-DOMZBBRYSA-N 0 0 473.345 0.663 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br ZINC000857752087 1070107459 /nfs/dbraw/zinc/10/74/59/1070107459.db2.gz ADCYTDBRJPWPLT-IUODEOHRSA-N 0 0 473.345 0.663 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br ZINC000857752088 1070107273 /nfs/dbraw/zinc/10/72/73/1070107273.db2.gz ADCYTDBRJPWPLT-SWLSCSKDSA-N 0 0 473.345 0.663 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br ZINC000857752089 1070107448 /nfs/dbraw/zinc/10/74/48/1070107448.db2.gz ADCYTDBRJPWPLT-WFASDCNBSA-N 0 0 473.345 0.663 20 30 JCEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC000857763527 1070109780 /nfs/dbraw/zinc/10/97/80/1070109780.db2.gz IRVVIUAERSQCIW-HNNXBMFYSA-N 0 0 476.555 0.615 20 30 JCEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC000857763528 1070109801 /nfs/dbraw/zinc/10/98/01/1070109801.db2.gz IRVVIUAERSQCIW-OAHLLOKOSA-N 0 0 476.555 0.615 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC(=O)N3CCCC3)CC2)cc1 ZINC000857763554 1070109639 /nfs/dbraw/zinc/10/96/39/1070109639.db2.gz LLFJWIUMIOEVAL-UHFFFAOYSA-N 0 0 462.528 0.241 20 30 JCEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000857763595 1070109729 /nfs/dbraw/zinc/10/97/29/1070109729.db2.gz PRUYLWXLMGUFRR-CRAIPNDOSA-N 0 0 476.555 0.615 20 30 JCEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000857763596 1070109704 /nfs/dbraw/zinc/10/97/04/1070109704.db2.gz PRUYLWXLMGUFRR-MAUKXSAKSA-N 0 0 476.555 0.615 20 30 JCEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000857763597 1070109503 /nfs/dbraw/zinc/10/95/03/1070109503.db2.gz PRUYLWXLMGUFRR-QAPCUYQASA-N 0 0 476.555 0.615 20 30 JCEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000857763598 1070109665 /nfs/dbraw/zinc/10/96/65/1070109665.db2.gz PRUYLWXLMGUFRR-YJBOKZPZSA-N 0 0 476.555 0.615 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000857763606 1070109651 /nfs/dbraw/zinc/10/96/51/1070109651.db2.gz RMHNJFKUOMVMAQ-INIZCTEOSA-N 0 0 476.555 0.581 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000857763607 1070109568 /nfs/dbraw/zinc/10/95/68/1070109568.db2.gz RMHNJFKUOMVMAQ-MRXNPFEDSA-N 0 0 476.555 0.581 20 30 JCEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000857763616 1070109599 /nfs/dbraw/zinc/10/95/99/1070109599.db2.gz SRSLTGICKTYHEY-HNNXBMFYSA-N 0 0 476.555 0.628 20 30 JCEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000857763617 1070109562 /nfs/dbraw/zinc/10/95/62/1070109562.db2.gz SRSLTGICKTYHEY-OAHLLOKOSA-N 0 0 476.555 0.628 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000857836111 1070114403 /nfs/dbraw/zinc/11/44/03/1070114403.db2.gz KKVVRMNAZZSKLT-INIZCTEOSA-N 0 0 457.512 0.282 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000857836112 1070114608 /nfs/dbraw/zinc/11/46/08/1070114608.db2.gz KKVVRMNAZZSKLT-MRXNPFEDSA-N 0 0 457.512 0.282 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000857836137 1070114587 /nfs/dbraw/zinc/11/45/87/1070114587.db2.gz LIUHREALPUJHKB-CABCVRRESA-N 0 0 493.563 0.668 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000857836138 1070114461 /nfs/dbraw/zinc/11/44/61/1070114461.db2.gz LIUHREALPUJHKB-GJZGRUSLSA-N 0 0 493.563 0.668 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000857836139 1070114418 /nfs/dbraw/zinc/11/44/18/1070114418.db2.gz LIUHREALPUJHKB-HUUCEWRRSA-N 0 0 493.563 0.668 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000857836140 1070114429 /nfs/dbraw/zinc/11/44/29/1070114429.db2.gz LIUHREALPUJHKB-LSDHHAIUSA-N 0 0 493.563 0.668 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000857836295 1070114536 /nfs/dbraw/zinc/11/45/36/1070114536.db2.gz RGSKRACKMFAYBB-UHFFFAOYSA-N 0 0 499.545 0.544 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000857837264 1070115478 /nfs/dbraw/zinc/11/54/78/1070115478.db2.gz BRZNSDVIAZUYLH-HNNXBMFYSA-N 0 0 482.497 0.711 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000857837265 1070115368 /nfs/dbraw/zinc/11/53/68/1070115368.db2.gz BRZNSDVIAZUYLH-OAHLLOKOSA-N 0 0 482.497 0.711 20 30 JCEDRN C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000857837741 1070116929 /nfs/dbraw/zinc/11/69/29/1070116929.db2.gz OIBYVNLKGALMOQ-HEOKHYPTSA-N 0 0 458.519 0.686 20 30 JCEDRN C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000857837742 1070116921 /nfs/dbraw/zinc/11/69/21/1070116921.db2.gz OIBYVNLKGALMOQ-HVPFBLEYSA-N 0 0 458.519 0.686 20 30 JCEDRN C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000857837981 1070117657 /nfs/dbraw/zinc/11/76/57/1070117657.db2.gz ULXZQXGLTHUKSE-AWEZNQCLSA-N 0 0 470.461 0.841 20 30 JCEDRN C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000857837982 1070117472 /nfs/dbraw/zinc/11/74/72/1070117472.db2.gz ULXZQXGLTHUKSE-CQSZACIVSA-N 0 0 470.461 0.841 20 30 JCEDRN C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000857837998 1070117537 /nfs/dbraw/zinc/11/75/37/1070117537.db2.gz VRIZCRQGKWVNGM-LLVKDONJSA-N 0 0 470.511 0.816 20 30 JCEDRN C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000857838004 1070117595 /nfs/dbraw/zinc/11/75/95/1070117595.db2.gz VRIZCRQGKWVNGM-NSHDSACASA-N 0 0 470.511 0.816 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)cc1 ZINC000858005174 1070125947 /nfs/dbraw/zinc/12/59/47/1070125947.db2.gz COLSIWXIXUQJOK-HNNXBMFYSA-N 0 0 451.501 0.444 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)cc1 ZINC000858005175 1070126642 /nfs/dbraw/zinc/12/66/42/1070126642.db2.gz COLSIWXIXUQJOK-OAHLLOKOSA-N 0 0 451.501 0.444 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000858005246 1070126754 /nfs/dbraw/zinc/12/67/54/1070126754.db2.gz GBLJYXNUUGHQAN-INIZCTEOSA-N 0 0 457.512 0.282 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000858005247 1070126635 /nfs/dbraw/zinc/12/66/35/1070126635.db2.gz GBLJYXNUUGHQAN-MRXNPFEDSA-N 0 0 457.512 0.282 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000858005453 1070126649 /nfs/dbraw/zinc/12/66/49/1070126649.db2.gz MSTOUMUEKFCQTD-UHFFFAOYSA-N 0 0 499.545 0.544 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 ZINC000858005495 1070126688 /nfs/dbraw/zinc/12/66/88/1070126688.db2.gz OANJFAZEQVHMBS-DOTOQJQBSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 ZINC000858005496 1070126668 /nfs/dbraw/zinc/12/66/68/1070126668.db2.gz OANJFAZEQVHMBS-NVXWUHKLSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)cc1 ZINC000858005497 1070126742 /nfs/dbraw/zinc/12/67/42/1070126742.db2.gz OANJFAZEQVHMBS-RDJZCZTQSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)cc1 ZINC000858005498 1070126660 /nfs/dbraw/zinc/12/66/60/1070126660.db2.gz OANJFAZEQVHMBS-WBVHZDCISA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000858005620 1070126719 /nfs/dbraw/zinc/12/67/19/1070126719.db2.gz SRMOECGKLGDISL-DOTOQJQBSA-N 0 0 470.569 0.569 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000858005621 1070126745 /nfs/dbraw/zinc/12/67/45/1070126745.db2.gz SRMOECGKLGDISL-NVXWUHKLSA-N 0 0 470.569 0.569 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000858005622 1070126693 /nfs/dbraw/zinc/12/66/93/1070126693.db2.gz SRMOECGKLGDISL-RDJZCZTQSA-N 0 0 470.569 0.569 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000858005623 1070126678 /nfs/dbraw/zinc/12/66/78/1070126678.db2.gz SRMOECGKLGDISL-WBVHZDCISA-N 0 0 470.569 0.569 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000858005709 1070127606 /nfs/dbraw/zinc/12/76/06/1070127606.db2.gz XZDBWNMWXRWTPR-CABCVRRESA-N 0 0 493.563 0.668 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000858005710 1070127406 /nfs/dbraw/zinc/12/74/06/1070127406.db2.gz XZDBWNMWXRWTPR-GJZGRUSLSA-N 0 0 493.563 0.668 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000858005711 1070127418 /nfs/dbraw/zinc/12/74/18/1070127418.db2.gz XZDBWNMWXRWTPR-HUUCEWRRSA-N 0 0 493.563 0.668 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000858005712 1070127482 /nfs/dbraw/zinc/12/74/82/1070127482.db2.gz XZDBWNMWXRWTPR-LSDHHAIUSA-N 0 0 493.563 0.668 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000858007155 1070128617 /nfs/dbraw/zinc/12/86/17/1070128617.db2.gz GJRFPZKJFNUNHD-QAPCUYQASA-N 0 0 478.571 0.906 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000858007156 1070128592 /nfs/dbraw/zinc/12/85/92/1070128592.db2.gz GJRFPZKJFNUNHD-YJBOKZPZSA-N 0 0 478.571 0.906 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000858085678 1070129253 /nfs/dbraw/zinc/12/92/53/1070129253.db2.gz ADWSZAPXWXIJFI-ROUUACIJSA-N 0 0 462.572 0.990 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000858085679 1070129341 /nfs/dbraw/zinc/12/93/41/1070129341.db2.gz ADWSZAPXWXIJFI-ZWKOTPCHSA-N 0 0 462.572 0.990 20 30 JCEDRN CS(=O)(=O)NC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 ZINC000861104057 1070147798 /nfs/dbraw/zinc/14/77/98/1070147798.db2.gz ADFYUBHDVNOJEJ-UHFFFAOYSA-N 0 0 456.590 0.874 20 30 JCEDRN COc1ccc([C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)N2CCOCC2)cc1 ZINC000862609706 1070151524 /nfs/dbraw/zinc/15/15/24/1070151524.db2.gz XSIJFVYSHZHOEJ-IBGZPJMESA-N 0 0 458.540 0.923 20 30 JCEDRN COc1ccc([C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)N2CCOCC2)cc1 ZINC000862609709 1070151612 /nfs/dbraw/zinc/15/16/12/1070151612.db2.gz XSIJFVYSHZHOEJ-LJQANCHMSA-N 0 0 458.540 0.923 20 30 JCEDRN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN=C3NS(=O)(=O)c4ccccc43)C2=O)c1 ZINC000863699677 1070156104 /nfs/dbraw/zinc/15/61/04/1070156104.db2.gz CVYGMIUIQMHWDU-FQEVSTJZSA-N 0 0 457.468 0.232 20 30 JCEDRN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN=C3NS(=O)(=O)c4ccccc43)C2=O)c1 ZINC000863699683 1070156154 /nfs/dbraw/zinc/15/61/54/1070156154.db2.gz CVYGMIUIQMHWDU-HXUWFJFHSA-N 0 0 457.468 0.232 20 30 JCEDRN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000863850588 1070158677 /nfs/dbraw/zinc/15/86/77/1070158677.db2.gz AVPBYOADYDDUFL-HSZRJFAPSA-N 0 0 481.534 0.858 20 30 JCEDRN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000863850589 1070158357 /nfs/dbraw/zinc/15/83/57/1070158357.db2.gz AVPBYOADYDDUFL-QHCPKHFHSA-N 0 0 481.534 0.858 20 30 JCEDRN COC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000864037735 1070162885 /nfs/dbraw/zinc/16/28/85/1070162885.db2.gz TVKVXSQENOFPBI-UHFFFAOYSA-N 0 0 491.547 0.652 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000864236192 1070164850 /nfs/dbraw/zinc/16/48/50/1070164850.db2.gz CDOFHSYURDRSSQ-UHFFFAOYSA-N 0 0 471.562 0.271 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000864236375 1070164803 /nfs/dbraw/zinc/16/48/03/1070164803.db2.gz IRWKQLUTMJTKIT-UHFFFAOYSA-N 0 0 471.562 0.271 20 30 JCEDRN O=c1c(C=NNC(=S)NCCCN2CCOCC2)c(N2CCOCC2)nc2ccccn21 ZINC000874036916 1070259257 /nfs/dbraw/zinc/25/92/57/1070259257.db2.gz NZZZZZWNGNWAGI-UHFFFAOYSA-N 0 0 459.576 0.051 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 ZINC000875244083 1070263224 /nfs/dbraw/zinc/26/32/24/1070263224.db2.gz QVLBEYPPOPRIEJ-GHXNOFRVSA-N 0 0 470.507 0.651 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000875244084 1070263197 /nfs/dbraw/zinc/26/31/97/1070263197.db2.gz QVLBEYPPOPRIEJ-KPKJPENVSA-N 0 0 470.507 0.651 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c1 ZINC000875244148 1070263325 /nfs/dbraw/zinc/26/33/25/1070263325.db2.gz RUZGBKNONDIGJP-NRFANRHFSA-N 0 0 453.411 0.014 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c1 ZINC000875244149 1070263108 /nfs/dbraw/zinc/26/31/08/1070263108.db2.gz RUZGBKNONDIGJP-OAQYLSRUSA-N 0 0 453.411 0.014 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 ZINC000875244540 1070263255 /nfs/dbraw/zinc/26/32/55/1070263255.db2.gz ZOKLXBGCRLZKTN-NRFANRHFSA-N 0 0 453.411 0.014 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 ZINC000875244541 1070263309 /nfs/dbraw/zinc/26/33/09/1070263309.db2.gz ZOKLXBGCRLZKTN-OAQYLSRUSA-N 0 0 453.411 0.014 20 30 JCEDRN COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000875302317 1070264513 /nfs/dbraw/zinc/26/45/13/1070264513.db2.gz AYPLVOWWGRHECB-UHFFFAOYSA-N 0 0 472.479 0.430 20 30 JCEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC(C(N)=O)C(N)=O)ccc1Cl ZINC000875736971 1070265855 /nfs/dbraw/zinc/26/58/55/1070265855.db2.gz GMSSODASEVVATR-UHFFFAOYSA-N 0 0 468.894 0.929 20 30 JCEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC(C(N)=O)C(N)=O)ccc1Cl ZINC000875739161 1070265715 /nfs/dbraw/zinc/26/57/15/1070265715.db2.gz WCCRTVHORNZXHF-UHFFFAOYSA-N 0 0 450.904 0.790 20 30 JCEDRN CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000876675173 1070272357 /nfs/dbraw/zinc/27/23/57/1070272357.db2.gz FORHSSIFGLIHJG-KDOFPFPSSA-N 0 0 464.544 0.407 20 30 JCEDRN CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000876675174 1070272507 /nfs/dbraw/zinc/27/25/07/1070272507.db2.gz FORHSSIFGLIHJG-KSSFIOAISA-N 0 0 464.544 0.407 20 30 JCEDRN CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000876675790 1070272488 /nfs/dbraw/zinc/27/24/88/1070272488.db2.gz OWHGTNCXFLXRKG-FXAWDEMLSA-N 0 0 485.584 0.376 20 30 JCEDRN CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000876675791 1070272651 /nfs/dbraw/zinc/27/26/51/1070272651.db2.gz OWHGTNCXFLXRKG-PXNSSMCTSA-N 0 0 485.584 0.376 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000876676377 1070272765 /nfs/dbraw/zinc/27/27/65/1070272765.db2.gz XNXBLBMFZURBSG-IBGZPJMESA-N 0 0 464.544 0.374 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000876676378 1070272400 /nfs/dbraw/zinc/27/24/00/1070272400.db2.gz XNXBLBMFZURBSG-LJQANCHMSA-N 0 0 464.544 0.374 20 30 JCEDRN CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000876700243 1070272543 /nfs/dbraw/zinc/27/25/43/1070272543.db2.gz BRTHYWYNQMZMNQ-BEFAXECRSA-N 0 0 478.571 0.797 20 30 JCEDRN CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000876700244 1070272573 /nfs/dbraw/zinc/27/25/73/1070272573.db2.gz BRTHYWYNQMZMNQ-KXBFYZLASA-N 0 0 478.571 0.797 20 30 JCEDRN CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000876701186 1070272561 /nfs/dbraw/zinc/27/25/61/1070272561.db2.gz OQCNIODZXRKILK-KDOFPFPSSA-N 0 0 485.584 0.376 20 30 JCEDRN CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000876701187 1070272525 /nfs/dbraw/zinc/27/25/25/1070272525.db2.gz OQCNIODZXRKILK-KSSFIOAISA-N 0 0 485.584 0.376 20 30 JCEDRN CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000876701243 1070273301 /nfs/dbraw/zinc/27/33/01/1070273301.db2.gz PMKLNAGVPJOWCV-GHTZIAJQSA-N 0 0 499.611 0.767 20 30 JCEDRN CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000876701244 1070273143 /nfs/dbraw/zinc/27/31/43/1070273143.db2.gz PMKLNAGVPJOWCV-RXVVDRJESA-N 0 0 499.611 0.767 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000876701404 1070273287 /nfs/dbraw/zinc/27/32/87/1070273287.db2.gz SCFBVAZEWOSWRV-FQEVSTJZSA-N 0 0 478.571 0.764 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000876701407 1070273364 /nfs/dbraw/zinc/27/33/64/1070273364.db2.gz SCFBVAZEWOSWRV-HXUWFJFHSA-N 0 0 478.571 0.764 20 30 JCEDRN CC(C)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000877729799 1070281266 /nfs/dbraw/zinc/28/12/66/1070281266.db2.gz AHCBPBCJXIIXGU-DYVFJYSZSA-N 0 0 450.517 0.017 20 30 JCEDRN CC(C)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000877729800 1070281304 /nfs/dbraw/zinc/28/13/04/1070281304.db2.gz AHCBPBCJXIIXGU-GUYCJALGSA-N 0 0 450.517 0.017 20 30 JCEDRN CC(C)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000877729983 1070281333 /nfs/dbraw/zinc/28/13/33/1070281333.db2.gz IMEBYINUXYDDCP-IBGZPJMESA-N 0 0 486.554 0.432 20 30 JCEDRN CC(C)[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000877729984 1070281923 /nfs/dbraw/zinc/28/19/23/1070281923.db2.gz IMEBYINUXYDDCP-LJQANCHMSA-N 0 0 486.554 0.432 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@H](OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000877730410 1070281793 /nfs/dbraw/zinc/28/17/93/1070281793.db2.gz ZSUYZPHURSYBGX-GOSISDBHSA-N 0 0 465.528 0.705 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@@H](OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000877730411 1070281986 /nfs/dbraw/zinc/28/19/86/1070281986.db2.gz ZSUYZPHURSYBGX-SFHVURJKSA-N 0 0 465.528 0.705 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000877869558 1070283659 /nfs/dbraw/zinc/28/36/59/1070283659.db2.gz WDAMABXBHPBVHE-DOTOQJQBSA-N 0 0 458.558 0.636 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000877869559 1070283856 /nfs/dbraw/zinc/28/38/56/1070283856.db2.gz WDAMABXBHPBVHE-NVXWUHKLSA-N 0 0 458.558 0.636 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000877869560 1070283719 /nfs/dbraw/zinc/28/37/19/1070283719.db2.gz WDAMABXBHPBVHE-RDJZCZTQSA-N 0 0 458.558 0.636 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000877869561 1070283685 /nfs/dbraw/zinc/28/36/85/1070283685.db2.gz WDAMABXBHPBVHE-WBVHZDCISA-N 0 0 458.558 0.636 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@@H](OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(C)C)CC1 ZINC000877876757 1070284426 /nfs/dbraw/zinc/28/44/26/1070284426.db2.gz BFBRBSFPVFKZJS-IBGZPJMESA-N 0 0 464.544 0.751 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(C)C)CC1 ZINC000877876758 1070284221 /nfs/dbraw/zinc/28/42/21/1070284221.db2.gz BFBRBSFPVFKZJS-LJQANCHMSA-N 0 0 464.544 0.751 20 30 JCEDRN CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000877876848 1070284255 /nfs/dbraw/zinc/28/42/55/1070284255.db2.gz FXOBXZIMFGVEPW-AEFFLSMTSA-N 0 0 464.544 0.784 20 30 JCEDRN CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000877876849 1070284265 /nfs/dbraw/zinc/28/42/65/1070284265.db2.gz FXOBXZIMFGVEPW-FUHWJXTLSA-N 0 0 464.544 0.784 20 30 JCEDRN CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000877876850 1070284280 /nfs/dbraw/zinc/28/42/80/1070284280.db2.gz FXOBXZIMFGVEPW-SJLPKXTDSA-N 0 0 464.544 0.784 20 30 JCEDRN CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000877876851 1070284356 /nfs/dbraw/zinc/28/43/56/1070284356.db2.gz FXOBXZIMFGVEPW-WMZOPIPTSA-N 0 0 464.544 0.784 20 30 JCEDRN CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000877877223 1070284442 /nfs/dbraw/zinc/28/44/42/1070284442.db2.gz SZWJOGBZHZFQOX-DOTOQJQBSA-N 0 0 471.557 0.363 20 30 JCEDRN CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000877877224 1070284501 /nfs/dbraw/zinc/28/45/01/1070284501.db2.gz SZWJOGBZHZFQOX-NVXWUHKLSA-N 0 0 471.557 0.363 20 30 JCEDRN CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000877877225 1070284455 /nfs/dbraw/zinc/28/44/55/1070284455.db2.gz SZWJOGBZHZFQOX-RDJZCZTQSA-N 0 0 471.557 0.363 20 30 JCEDRN CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000877877226 1070284306 /nfs/dbraw/zinc/28/43/06/1070284306.db2.gz SZWJOGBZHZFQOX-WBVHZDCISA-N 0 0 471.557 0.363 20 30 JCEDRN CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000877877273 1070284290 /nfs/dbraw/zinc/28/42/90/1070284290.db2.gz VILZYTSDQDPUOI-FXAWDEMLSA-N 0 0 485.584 0.753 20 30 JCEDRN CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000877877274 1070284318 /nfs/dbraw/zinc/28/43/18/1070284318.db2.gz VILZYTSDQDPUOI-PXNSSMCTSA-N 0 0 485.584 0.753 20 30 JCEDRN CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000877877275 1070284470 /nfs/dbraw/zinc/28/44/70/1070284470.db2.gz VILZYTSDQDPUOI-XLIONFOSSA-N 0 0 485.584 0.753 20 30 JCEDRN CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000877877276 1070284487 /nfs/dbraw/zinc/28/44/87/1070284487.db2.gz VILZYTSDQDPUOI-YLJYHZDGSA-N 0 0 485.584 0.753 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000878389681 1070290276 /nfs/dbraw/zinc/29/02/76/1070290276.db2.gz QFQBXSZFGAAZNB-UHFFFAOYSA-N 0 0 499.549 0.480 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000878407040 1070290237 /nfs/dbraw/zinc/29/02/37/1070290237.db2.gz JPXOXWIVUBIKIL-DOTOQJQBSA-N 0 0 456.542 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000878407041 1070290043 /nfs/dbraw/zinc/29/00/43/1070290043.db2.gz JPXOXWIVUBIKIL-NVXWUHKLSA-N 0 0 456.542 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000878407042 1070290196 /nfs/dbraw/zinc/29/01/96/1070290196.db2.gz JPXOXWIVUBIKIL-RDJZCZTQSA-N 0 0 456.542 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000878407043 1070290919 /nfs/dbraw/zinc/29/09/19/1070290919.db2.gz JPXOXWIVUBIKIL-WBVHZDCISA-N 0 0 456.542 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000878407318 1070290628 /nfs/dbraw/zinc/29/06/28/1070290628.db2.gz PVGBXQPNAFOAAM-FQEVSTJZSA-N 0 0 485.566 0.918 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000878407319 1070290651 /nfs/dbraw/zinc/29/06/51/1070290651.db2.gz PVGBXQPNAFOAAM-HXUWFJFHSA-N 0 0 485.566 0.918 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)cc1 ZINC000878407599 1070290581 /nfs/dbraw/zinc/29/05/81/1070290581.db2.gz WLVFPKNMGKDKTQ-FXAWDEMLSA-N 0 0 470.569 0.473 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)cc1 ZINC000878407600 1070290559 /nfs/dbraw/zinc/29/05/59/1070290559.db2.gz WLVFPKNMGKDKTQ-PXNSSMCTSA-N 0 0 470.569 0.473 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)cc1 ZINC000878407601 1070290882 /nfs/dbraw/zinc/29/08/82/1070290882.db2.gz WLVFPKNMGKDKTQ-XLIONFOSSA-N 0 0 470.569 0.473 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)cc1 ZINC000878407602 1070290709 /nfs/dbraw/zinc/29/07/09/1070290709.db2.gz WLVFPKNMGKDKTQ-YLJYHZDGSA-N 0 0 470.569 0.473 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000878456861 1070290896 /nfs/dbraw/zinc/29/08/96/1070290896.db2.gz QRIBEFHBZWQYQO-UHFFFAOYSA-N 0 0 494.533 0.888 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 ZINC000878468458 1070290532 /nfs/dbraw/zinc/29/05/32/1070290532.db2.gz MHNUXUYRERKOJK-IBGZPJMESA-N 0 0 499.549 0.734 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 ZINC000878468459 1070290826 /nfs/dbraw/zinc/29/08/26/1070290826.db2.gz MHNUXUYRERKOJK-LJQANCHMSA-N 0 0 499.549 0.734 20 30 JCEDRN Cc1cc(C)n(CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000878477191 1070291576 /nfs/dbraw/zinc/29/15/76/1070291576.db2.gz WQIINNAKFNXVQY-UHFFFAOYSA-N 0 0 459.528 0.838 20 30 JCEDRN Cc1nn(C)c2ncc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc12 ZINC000878530685 1070291451 /nfs/dbraw/zinc/29/14/51/1070291451.db2.gz XAVFOMSLKCFCDR-UHFFFAOYSA-N 0 0 482.522 0.838 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cccn3)nc2)CC1 ZINC000878536614 1070291486 /nfs/dbraw/zinc/29/14/86/1070291486.db2.gz CLGQAJOKHKNSQU-UHFFFAOYSA-N 0 0 480.506 0.829 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3cncn3)nc2)CC1 ZINC000878538937 1070291268 /nfs/dbraw/zinc/29/12/68/1070291268.db2.gz JHISHXZJQIAWFK-UHFFFAOYSA-N 0 0 481.494 0.224 20 30 JCEDRN C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000878556467 1070292063 /nfs/dbraw/zinc/29/20/63/1070292063.db2.gz IRRMEHXLSPFSLP-HNNXBMFYSA-N 0 0 464.544 0.485 20 30 JCEDRN C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000878556473 1070291925 /nfs/dbraw/zinc/29/19/25/1070291925.db2.gz IRRMEHXLSPFSLP-OAHLLOKOSA-N 0 0 464.544 0.485 20 30 JCEDRN CC(C)(C)C(=O)NCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000878557684 1070292244 /nfs/dbraw/zinc/29/22/44/1070292244.db2.gz LUSPJBBYXSBXSX-UHFFFAOYSA-N 0 0 464.544 0.487 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccnc2-n2cccn2)CC1 ZINC000878914759 1070295358 /nfs/dbraw/zinc/29/53/58/1070295358.db2.gz JDXFLXGZOAERPM-UHFFFAOYSA-N 0 0 480.506 0.829 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnn3cccnc23)CC1 ZINC000883993711 1070325083 /nfs/dbraw/zinc/32/50/83/1070325083.db2.gz SWTMCFAIEGZJRO-UHFFFAOYSA-N 0 0 454.468 0.291 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000886321290 1070332657 /nfs/dbraw/zinc/33/26/57/1070332657.db2.gz ZVQSPSUZHXVFMP-KYOSRNDESA-N 0 0 459.908 0.407 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000886321291 1070332392 /nfs/dbraw/zinc/33/23/92/1070332392.db2.gz ZVQSPSUZHXVFMP-LNSITVRQSA-N 0 0 459.908 0.407 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000886321292 1070332573 /nfs/dbraw/zinc/33/25/73/1070332573.db2.gz ZVQSPSUZHXVFMP-WHOFXGATSA-N 0 0 459.908 0.407 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000886321293 1070332450 /nfs/dbraw/zinc/33/24/50/1070332450.db2.gz ZVQSPSUZHXVFMP-ZLDLUXBVSA-N 0 0 459.908 0.407 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000886422689 1070332441 /nfs/dbraw/zinc/33/24/41/1070332441.db2.gz XCPPFEOOLDOAQC-GWCFXTLKSA-N 0 0 478.321 0.032 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000886422690 1070332516 /nfs/dbraw/zinc/33/25/16/1070332516.db2.gz XCPPFEOOLDOAQC-GXFFZTMASA-N 0 0 478.321 0.032 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000886422691 1070332367 /nfs/dbraw/zinc/33/23/67/1070332367.db2.gz XCPPFEOOLDOAQC-MFKMUULPSA-N 0 0 478.321 0.032 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000886422692 1070332534 /nfs/dbraw/zinc/33/25/34/1070332534.db2.gz XCPPFEOOLDOAQC-ZWNOBZJWSA-N 0 0 478.321 0.032 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000887216604 1070334080 /nfs/dbraw/zinc/33/40/80/1070334080.db2.gz BPUUGZDGGMHBLX-AWEZNQCLSA-N 0 0 469.516 0.202 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000887216605 1070333958 /nfs/dbraw/zinc/33/39/58/1070333958.db2.gz BPUUGZDGGMHBLX-CQSZACIVSA-N 0 0 469.516 0.202 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000887556320 1070334824 /nfs/dbraw/zinc/33/48/24/1070334824.db2.gz DFEDUMNHRVDNLH-KRWDZBQOSA-N 0 0 494.570 0.552 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000887556321 1070334730 /nfs/dbraw/zinc/33/47/30/1070334730.db2.gz DFEDUMNHRVDNLH-QGZVFWFLSA-N 0 0 494.570 0.552 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000887556510 1070334945 /nfs/dbraw/zinc/33/49/45/1070334945.db2.gz XDEDMKOXSURLFY-INIZCTEOSA-N 0 0 480.543 0.243 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000887556511 1070334914 /nfs/dbraw/zinc/33/49/14/1070334914.db2.gz XDEDMKOXSURLFY-MRXNPFEDSA-N 0 0 480.543 0.243 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000887561305 1070334709 /nfs/dbraw/zinc/33/47/09/1070334709.db2.gz DZFKWOKMYIPYOI-AWEZNQCLSA-N 0 0 481.527 0.817 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000887561306 1070334842 /nfs/dbraw/zinc/33/48/42/1070334842.db2.gz DZFKWOKMYIPYOI-CQSZACIVSA-N 0 0 481.527 0.817 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000887566707 1070335355 /nfs/dbraw/zinc/33/53/55/1070335355.db2.gz XXNQOOLXJPHQRZ-CYBMUJFWSA-N 0 0 465.532 0.700 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000887566708 1070335400 /nfs/dbraw/zinc/33/54/00/1070335400.db2.gz XXNQOOLXJPHQRZ-ZDUSSCGKSA-N 0 0 465.532 0.700 20 30 JCEDRN C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(=O)NCC(F)(F)F ZINC000887571980 1070335146 /nfs/dbraw/zinc/33/51/46/1070335146.db2.gz JBETWPSRCRJKQH-JTQLQIEISA-N 0 0 464.422 0.825 20 30 JCEDRN C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(=O)NCC(F)(F)F ZINC000887571981 1070335480 /nfs/dbraw/zinc/33/54/80/1070335480.db2.gz JBETWPSRCRJKQH-SNVBAGLBSA-N 0 0 464.422 0.825 20 30 JCEDRN CN(C(=O)CN=C1NS(=O)(=O)c2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000887929842 1070335805 /nfs/dbraw/zinc/33/58/05/1070335805.db2.gz LKWBFWPXQJUXGU-UHFFFAOYSA-N 0 0 468.495 0.281 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(I)ccc1-n1cnnn1 ZINC000889092333 1070336766 /nfs/dbraw/zinc/33/67/66/1070336766.db2.gz AEHDAFNUIAVCOL-SECBINFHSA-N 0 0 470.227 0.824 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(I)ccc1-n1cnnn1 ZINC000889092334 1070336532 /nfs/dbraw/zinc/33/65/32/1070336532.db2.gz AEHDAFNUIAVCOL-VIFPVBQESA-N 0 0 470.227 0.824 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000890330743 1070337944 /nfs/dbraw/zinc/33/79/44/1070337944.db2.gz CZYGEPQDANGEJK-CYBMUJFWSA-N 0 0 492.510 0.518 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000890330744 1070337526 /nfs/dbraw/zinc/33/75/26/1070337526.db2.gz CZYGEPQDANGEJK-ZDUSSCGKSA-N 0 0 492.510 0.518 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000891292873 1067754375 /nfs/dbraw/zinc/75/43/75/1067754375.db2.gz CVXLYPUPNUSFBT-CYBMUJFWSA-N 0 0 455.489 0.460 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000891292888 1067754403 /nfs/dbraw/zinc/75/44/03/1067754403.db2.gz CVXLYPUPNUSFBT-ZDUSSCGKSA-N 0 0 455.489 0.460 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br ZINC000891312110 1067755582 /nfs/dbraw/zinc/75/55/82/1067755582.db2.gz DEHMGOODPXGZNP-LLVKDONJSA-N 0 0 492.348 0.931 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br ZINC000891312117 1067755533 /nfs/dbraw/zinc/75/55/33/1067755533.db2.gz DEHMGOODPXGZNP-NSHDSACASA-N 0 0 492.348 0.931 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000893329419 1067980456 /nfs/dbraw/zinc/98/04/56/1067980456.db2.gz TUACQCIPDVHXTJ-GFCCVEGCSA-N 0 0 459.908 0.918 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000893329421 1067980363 /nfs/dbraw/zinc/98/03/63/1067980363.db2.gz TUACQCIPDVHXTJ-LBPRGKRZSA-N 0 0 459.908 0.918 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000893329943 1067980476 /nfs/dbraw/zinc/98/04/76/1067980476.db2.gz ZSKIBZCJXJLZEA-GFCCVEGCSA-N 0 0 459.908 0.918 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000893329944 1067980611 /nfs/dbraw/zinc/98/06/11/1067980611.db2.gz ZSKIBZCJXJLZEA-LBPRGKRZSA-N 0 0 459.908 0.918 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000893394384 1068018669 /nfs/dbraw/zinc/01/86/69/1068018669.db2.gz AWLWAPNENYWKDW-CYBMUJFWSA-N 0 0 455.489 0.460 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000893394386 1068018818 /nfs/dbraw/zinc/01/88/18/1068018818.db2.gz AWLWAPNENYWKDW-ZDUSSCGKSA-N 0 0 455.489 0.460 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000893402196 1068021269 /nfs/dbraw/zinc/02/12/69/1068021269.db2.gz RVFFRJDGFPZADT-AWEZNQCLSA-N 0 0 469.516 0.850 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000893402197 1068021645 /nfs/dbraw/zinc/02/16/45/1068021645.db2.gz RVFFRJDGFPZADT-CQSZACIVSA-N 0 0 469.516 0.850 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000894589536 1069363391 /nfs/dbraw/zinc/36/33/91/1069363391.db2.gz BMEUUOALEJJADN-AWEZNQCLSA-N 0 0 466.516 0.097 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000894589537 1069363210 /nfs/dbraw/zinc/36/32/10/1069363210.db2.gz BMEUUOALEJJADN-CQSZACIVSA-N 0 0 466.516 0.097 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000894679592 1069364421 /nfs/dbraw/zinc/36/44/21/1069364421.db2.gz PZAADZJISJZQLU-CYBMUJFWSA-N 0 0 455.489 0.273 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000894679593 1069364716 /nfs/dbraw/zinc/36/47/16/1069364716.db2.gz PZAADZJISJZQLU-ZDUSSCGKSA-N 0 0 455.489 0.273 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000894925961 1069453606 /nfs/dbraw/zinc/45/36/06/1069453606.db2.gz ODAUNIHZEQIVEG-HNNXBMFYSA-N 0 0 453.517 0.584 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000894925972 1069453949 /nfs/dbraw/zinc/45/39/49/1069453949.db2.gz ODAUNIHZEQIVEG-OAHLLOKOSA-N 0 0 453.517 0.584 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000895926614 1069650359 /nfs/dbraw/zinc/65/03/59/1069650359.db2.gz IUVGTHLKFUDXNC-CYBMUJFWSA-N 0 0 455.489 0.273 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000895926615 1069650234 /nfs/dbraw/zinc/65/02/34/1069650234.db2.gz IUVGTHLKFUDXNC-ZDUSSCGKSA-N 0 0 455.489 0.273 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)NC3CCN(C(C)=O)CC3)n2c2ccccc2c1=O ZINC000897625981 1070021707 /nfs/dbraw/zinc/02/17/07/1070021707.db2.gz RNMHXVIZFJGGIL-UHFFFAOYSA-N 0 0 498.565 0.993 20 30 JCEDRN CC(=O)N1CCC(NC(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000897648355 1070023061 /nfs/dbraw/zinc/02/30/61/1070023061.db2.gz VQNGXPFMXLHAQZ-UHFFFAOYSA-N 0 0 450.517 0.176 20 30 JCEDRN CC(=O)N1CCC(NC(=O)COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000897786755 1070024282 /nfs/dbraw/zinc/02/42/82/1070024282.db2.gz YGZKMIPABRFRKX-GOSISDBHSA-N 0 0 478.571 0.810 20 30 JCEDRN CC(=O)N1CCC(NC(=O)COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000897786756 1070024864 /nfs/dbraw/zinc/02/48/64/1070024864.db2.gz YGZKMIPABRFRKX-SFHVURJKSA-N 0 0 478.571 0.810 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1OC ZINC000898262249 1070027373 /nfs/dbraw/zinc/02/73/73/1070027373.db2.gz SMPILKFILNYJPB-UHFFFAOYSA-N 0 0 472.523 0.727 20 30 JCEDRN CC(=O)N1CCC(NC(=O)COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000898672984 1070147113 /nfs/dbraw/zinc/14/71/13/1070147113.db2.gz QQPJCGRKMVBJNV-UHFFFAOYSA-N 0 0 478.571 0.956 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 ZINC000899233737 1070172053 /nfs/dbraw/zinc/17/20/53/1070172053.db2.gz MZSQWSPUBHHYOB-DEOSSOPVSA-N 0 0 468.510 0.822 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 ZINC000899233738 1070172153 /nfs/dbraw/zinc/17/21/53/1070172153.db2.gz MZSQWSPUBHHYOB-XMMPIXPASA-N 0 0 468.510 0.822 20 30 JCEDRN O=C(CCN=C1NS(=O)(=O)c2ccccc21)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000899450330 1070181379 /nfs/dbraw/zinc/18/13/79/1070181379.db2.gz FGMOVFPBIXZFBY-UHFFFAOYSA-N 0 0 461.544 0.876 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 ZINC000899459005 1070182333 /nfs/dbraw/zinc/18/23/33/1070182333.db2.gz YCHCYOZRBNACNV-GOSISDBHSA-N 0 0 478.571 0.954 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 ZINC000899459006 1070181974 /nfs/dbraw/zinc/18/19/74/1070181974.db2.gz YCHCYOZRBNACNV-SFHVURJKSA-N 0 0 478.571 0.954 20 30 JCEDRN COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 ZINC000899872566 1070201353 /nfs/dbraw/zinc/20/13/53/1070201353.db2.gz JDGLHDKYLSTFGK-UHFFFAOYSA-N 0 0 472.479 0.430 20 30 JCEDRN CC(C)C(=O)N1CCC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000899882067 1070201415 /nfs/dbraw/zinc/20/14/15/1070201415.db2.gz FJYKNIMECXATMU-UHFFFAOYSA-N 0 0 490.582 0.829 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000899882744 1070201503 /nfs/dbraw/zinc/20/15/03/1070201503.db2.gz QFCXGGINXCGPME-AWEZNQCLSA-N 0 0 466.516 0.097 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000899882746 1070201211 /nfs/dbraw/zinc/20/12/11/1070201211.db2.gz QFCXGGINXCGPME-CQSZACIVSA-N 0 0 466.516 0.097 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000899892919 1070202851 /nfs/dbraw/zinc/20/28/51/1070202851.db2.gz QWKCSCBJUIRFIP-AWEZNQCLSA-N 0 0 481.527 0.802 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000899892920 1070202922 /nfs/dbraw/zinc/20/29/22/1070202922.db2.gz QWKCSCBJUIRFIP-CQSZACIVSA-N 0 0 481.527 0.802 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000899895413 1070202145 /nfs/dbraw/zinc/20/21/45/1070202145.db2.gz RUPDRQKLGUNXRZ-AWEZNQCLSA-N 0 0 468.532 0.331 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000899895414 1070201956 /nfs/dbraw/zinc/20/19/56/1070201956.db2.gz RUPDRQKLGUNXRZ-CQSZACIVSA-N 0 0 468.532 0.331 20 30 JCEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1C ZINC000899896778 1070202106 /nfs/dbraw/zinc/20/21/06/1070202106.db2.gz QKXRVAYPQOAUJI-UHFFFAOYSA-N 0 0 473.544 0.571 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000900265827 1070766242 /nfs/dbraw/zinc/76/62/42/1070766242.db2.gz OQJQBZSFZXOMKP-JTQLQIEISA-N 0 0 450.395 0.812 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000900265828 1070766270 /nfs/dbraw/zinc/76/62/70/1070766270.db2.gz OQJQBZSFZXOMKP-SNVBAGLBSA-N 0 0 450.395 0.812 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCNS(=O)(=O)c1ccccc1 ZINC000900999103 1070773333 /nfs/dbraw/zinc/77/33/33/1070773333.db2.gz VWULUTTVEINAFB-UHFFFAOYSA-N 0 0 450.542 0.600 20 30 JCEDRN CCCCOc1ccc(C=NOCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC ZINC000901379494 1070773369 /nfs/dbraw/zinc/77/33/69/1070773369.db2.gz CDLCHTGLANMIBR-UHFFFAOYSA-N 0 0 490.557 0.754 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1=O ZINC000901381986 1070773483 /nfs/dbraw/zinc/77/34/83/1070773483.db2.gz XOGXFEYIOVZDPP-UHFFFAOYSA-N 0 0 471.489 0.234 20 30 JCEDRN COCCCN(C(=O)CN=C1NS(=O)(=O)c2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000901384938 1070773928 /nfs/dbraw/zinc/77/39/28/1070773928.db2.gz BSZBHVMFOOITBJ-UHFFFAOYSA-N 0 0 492.558 0.295 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000901415279 1070773893 /nfs/dbraw/zinc/77/38/93/1070773893.db2.gz HWOIKFXKWTWLKQ-CYBMUJFWSA-N 0 0 452.489 0.035 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000901415291 1070773967 /nfs/dbraw/zinc/77/39/67/1070773967.db2.gz HWOIKFXKWTWLKQ-ZDUSSCGKSA-N 0 0 452.489 0.035 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000901673229 1070774263 /nfs/dbraw/zinc/77/42/63/1070774263.db2.gz HYKBLQMVUSNIFW-AWEZNQCLSA-N 0 0 494.526 0.713 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000901673230 1070774470 /nfs/dbraw/zinc/77/44/70/1070774470.db2.gz HYKBLQMVUSNIFW-CQSZACIVSA-N 0 0 494.526 0.713 20 30 JCEDRN O=C(CCCN=C1NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000903454991 1070782959 /nfs/dbraw/zinc/78/29/59/1070782959.db2.gz GODLWOHYHIFYGH-UHFFFAOYSA-N 0 0 456.484 0.842 20 30 JCEDRN Cn1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1-n1cccc1 ZINC000904218886 1070240167 /nfs/dbraw/zinc/24/01/67/1070240167.db2.gz OQUMGDUIGYIGMP-UHFFFAOYSA-N 0 0 482.522 0.772 20 30 JCEDRN CC(C)C[C@H](N=C1NS(=O)(=O)c2ccccc21)c1nc(-c2cn(CCO)c(=O)[nH]c2=O)no1 ZINC000904854566 1070251824 /nfs/dbraw/zinc/25/18/24/1070251824.db2.gz JQEMRGALGAUGCL-AWEZNQCLSA-N 0 0 474.499 0.817 20 30 JCEDRN CC(C)C[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1nc(-c2cn(CCO)c(=O)[nH]c2=O)no1 ZINC000904854568 1070251963 /nfs/dbraw/zinc/25/19/63/1070251963.db2.gz JQEMRGALGAUGCL-CQSZACIVSA-N 0 0 474.499 0.817 20 30 JCEDRN CCCC[C@H](N=C1NS(=O)(=O)c2ccccc21)c1nc(-c2cn(CCO)c(=O)[nH]c2=O)no1 ZINC000904855554 1070252054 /nfs/dbraw/zinc/25/20/54/1070252054.db2.gz ZNZJLYDSKXDKGZ-AWEZNQCLSA-N 0 0 474.499 0.961 20 30 JCEDRN CCCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1nc(-c2cn(CCO)c(=O)[nH]c2=O)no1 ZINC000904855555 1070252015 /nfs/dbraw/zinc/25/20/15/1070252015.db2.gz ZNZJLYDSKXDKGZ-CQSZACIVSA-N 0 0 474.499 0.961 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cn(CCO)c(=O)[nH]c4=O)no3)CC2)cc1 ZINC000904861518 1070255753 /nfs/dbraw/zinc/25/57/53/1070255753.db2.gz SDRGWPPFEQLASE-UHFFFAOYSA-N 0 0 472.483 0.431 20 30 JCEDRN O=c1[nH]c(=O)n(CCO)cc1-c1noc(CCCCCN=C2NS(=O)(=O)c3ccccc32)n1 ZINC000904863558 1070256908 /nfs/dbraw/zinc/25/69/08/1070256908.db2.gz XULIMKNFSXOUHZ-UHFFFAOYSA-N 0 0 474.499 0.443 20 30 JCEDRN CCCCn1c(N)c(N(CCOC)C(=O)CN=C2NS(=O)(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000905455041 1070264520 /nfs/dbraw/zinc/26/45/20/1070264520.db2.gz DAYBDDWTEYEKDE-UHFFFAOYSA-N 0 0 478.531 0.049 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000906198411 1070269571 /nfs/dbraw/zinc/26/95/71/1070269571.db2.gz BQPBOVIODBVZSL-UHFFFAOYSA-N 0 0 464.525 0.385 20 30 JCEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O ZINC000906486620 1070272503 /nfs/dbraw/zinc/27/25/03/1070272503.db2.gz OICUEKRYITXOGX-JLTOFOAXSA-N 0 0 469.564 0.854 20 30 JCEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O ZINC000906486622 1070272856 /nfs/dbraw/zinc/27/28/56/1070272856.db2.gz OICUEKRYITXOGX-VBKZILBWSA-N 0 0 469.564 0.854 20 30 JCEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O ZINC000906486625 1070272705 /nfs/dbraw/zinc/27/27/05/1070272705.db2.gz OICUEKRYITXOGX-VLIAUNLRSA-N 0 0 469.564 0.854 20 30 JCEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O ZINC000906486627 1070273338 /nfs/dbraw/zinc/27/33/38/1070273338.db2.gz OICUEKRYITXOGX-XOBRGWDASA-N 0 0 469.564 0.854 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN=C3NS(=O)(=O)c4ccccc43)C2=O)cc1 ZINC000906492574 1070273969 /nfs/dbraw/zinc/27/39/69/1070273969.db2.gz OSUQRGOCAGJHAR-FQEVSTJZSA-N 0 0 457.468 0.232 20 30 JCEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN=C3NS(=O)(=O)c4ccccc43)C2=O)cc1 ZINC000906492575 1070273804 /nfs/dbraw/zinc/27/38/04/1070273804.db2.gz OSUQRGOCAGJHAR-HXUWFJFHSA-N 0 0 457.468 0.232 20 30 JCEDRN CNS(=O)(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 ZINC000908182754 1070293768 /nfs/dbraw/zinc/29/37/68/1070293768.db2.gz RVWONRGVRPJOBU-UHFFFAOYSA-N 0 0 456.571 0.791 20 30 JCEDRN CCCCN(C(=O)CN=C1NS(=O)(=O)c2ccccc21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000911586762 1070328431 /nfs/dbraw/zinc/32/84/31/1070328431.db2.gz ISXJTQILIMJPCQ-UHFFFAOYSA-N 0 0 462.532 0.813 20 30 JCEDRN COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000912529964 1070346075 /nfs/dbraw/zinc/34/60/75/1070346075.db2.gz IZICQCUOLATJQR-UHFFFAOYSA-N 0 0 453.502 0.072 20 30 JCEDRN N#CCCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000912685003 1070354350 /nfs/dbraw/zinc/35/43/50/1070354350.db2.gz OBSBIBJAWPQRFA-UHFFFAOYSA-N 0 0 470.507 0.911 20 30 JCEDRN N#CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000912685239 1070355456 /nfs/dbraw/zinc/35/54/56/1070355456.db2.gz AEWIIOVUSAPFPJ-UHFFFAOYSA-N 0 0 456.480 0.521 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000912685286 1070355269 /nfs/dbraw/zinc/35/52/69/1070355269.db2.gz CFPDYIWDXKHWIO-JLTOFOAXSA-N 0 0 450.517 0.407 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000912685287 1070355232 /nfs/dbraw/zinc/35/52/32/1070355232.db2.gz CFPDYIWDXKHWIO-VBKZILBWSA-N 0 0 450.517 0.407 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000912685288 1070355860 /nfs/dbraw/zinc/35/58/60/1070355860.db2.gz CFPDYIWDXKHWIO-VLIAUNLRSA-N 0 0 450.517 0.407 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000912685289 1070355733 /nfs/dbraw/zinc/35/57/33/1070355733.db2.gz CFPDYIWDXKHWIO-XOBRGWDASA-N 0 0 450.517 0.407 20 30 JCEDRN N#CCc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000912685448 1070356356 /nfs/dbraw/zinc/35/63/56/1070356356.db2.gz JZVXQHWKRKVPQL-UHFFFAOYSA-N 0 0 456.480 0.669 20 30 JCEDRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)Nc1ccccc1C#N ZINC000912685452 1070356459 /nfs/dbraw/zinc/35/64/59/1070356459.db2.gz KIDRQRWWHPAECD-AWEZNQCLSA-N 0 0 456.480 0.863 20 30 JCEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)Nc1ccccc1C#N ZINC000912685453 1070356475 /nfs/dbraw/zinc/35/64/75/1070356475.db2.gz KIDRQRWWHPAECD-CQSZACIVSA-N 0 0 456.480 0.863 20 30 JCEDRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000912685515 1070356838 /nfs/dbraw/zinc/35/68/38/1070356838.db2.gz NJUDEGXBKZDXLF-HNNXBMFYSA-N 0 0 462.528 0.695 20 30 JCEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000912685516 1070356962 /nfs/dbraw/zinc/35/69/62/1070356962.db2.gz NJUDEGXBKZDXLF-OAHLLOKOSA-N 0 0 462.528 0.695 20 30 JCEDRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000912685705 1070357185 /nfs/dbraw/zinc/35/71/85/1070357185.db2.gz VMXJBWZQVVNAFI-AWEZNQCLSA-N 0 0 456.480 0.863 20 30 JCEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000912685706 1070357353 /nfs/dbraw/zinc/35/73/53/1070357353.db2.gz VMXJBWZQVVNAFI-CQSZACIVSA-N 0 0 456.480 0.863 20 30 JCEDRN CN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1(C#N)CCCCC1 ZINC000912685762 1070357819 /nfs/dbraw/zinc/35/78/19/1070357819.db2.gz XXVLGHBUCDCVNS-UHFFFAOYSA-N 0 0 462.528 0.649 20 30 JCEDRN Cc1oc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(C#N)c1C ZINC000912686046 1070359411 /nfs/dbraw/zinc/35/94/11/1070359411.db2.gz JZCJXTWTNPCGIU-UHFFFAOYSA-N 0 0 460.468 0.684 20 30 JCEDRN N#Cc1ccc(N2CC[C@H](OC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2=O)cc1 ZINC000912686049 1070359208 /nfs/dbraw/zinc/35/92/08/1070359208.db2.gz KJGHUXNIUYMZEV-IBGZPJMESA-N 0 0 468.491 0.641 20 30 JCEDRN N#Cc1ccc(N2CC[C@@H](OC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2=O)cc1 ZINC000912686050 1070359472 /nfs/dbraw/zinc/35/94/72/1070359472.db2.gz KJGHUXNIUYMZEV-LJQANCHMSA-N 0 0 468.491 0.641 20 30 JCEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000912733028 1070364110 /nfs/dbraw/zinc/36/41/10/1070364110.db2.gz HOBCNZLAILBGNK-UHFFFAOYSA-N 0 0 473.544 0.186 20 30 JCEDRN Cc1ccc2ncc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(=O)n2c1 ZINC000912874882 1070372491 /nfs/dbraw/zinc/37/24/91/1070372491.db2.gz WEAQNOGMERIEMQ-UHFFFAOYSA-N 0 0 495.517 0.565 20 30 JCEDRN CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000912876915 1070372232 /nfs/dbraw/zinc/37/22/32/1070372232.db2.gz DNLGHEPSPQJMON-GOSISDBHSA-N 0 0 492.554 0.803 20 30 JCEDRN CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000912876916 1070372752 /nfs/dbraw/zinc/37/27/52/1070372752.db2.gz DNLGHEPSPQJMON-SFHVURJKSA-N 0 0 492.554 0.803 20 30 JCEDRN CCCCOc1ccc(C=NOCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC ZINC000913033431 1070377552 /nfs/dbraw/zinc/37/75/52/1070377552.db2.gz ADRRNWYXFIHHPB-UHFFFAOYSA-N 0 0 498.602 0.946 20 30 JCEDRN C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC ZINC000913033764 1070377845 /nfs/dbraw/zinc/37/78/45/1070377845.db2.gz XMXVVURGHVNBFI-ALCCZGGFSA-N 0 0 451.545 0.994 20 30 JCEDRN C=CCn1c(-c2cccnc2)nn(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1=S ZINC000913064127 1070378541 /nfs/dbraw/zinc/37/85/41/1070378541.db2.gz PRDSRZOIEOYZLR-UHFFFAOYSA-N 0 0 465.605 0.814 20 30 JCEDRN C=CCn1c(-c2ccncc2)nn(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1=S ZINC000913064335 1070378923 /nfs/dbraw/zinc/37/89/23/1070378923.db2.gz WBWBVSIEMJLTOL-UHFFFAOYSA-N 0 0 465.605 0.814 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)cc1 ZINC000913081567 1070380812 /nfs/dbraw/zinc/38/08/12/1070380812.db2.gz BLLNOZBAZGNQPI-FQEVSTJZSA-N 0 0 484.513 0.650 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)cc1 ZINC000913081570 1070380606 /nfs/dbraw/zinc/38/06/06/1070380606.db2.gz BLLNOZBAZGNQPI-HXUWFJFHSA-N 0 0 484.513 0.650 20 30 JCEDRN CS(=O)(=O)N1CCC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000913086581 1070381212 /nfs/dbraw/zinc/38/12/12/1070381212.db2.gz GUMCPNKORZQQIS-UHFFFAOYSA-N 0 0 456.590 0.826 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000913151324 1070383178 /nfs/dbraw/zinc/38/31/78/1070383178.db2.gz ACTLVXVSHHNNMW-UHFFFAOYSA-N 0 0 450.524 0.620 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000913151380 1070383041 /nfs/dbraw/zinc/38/30/41/1070383041.db2.gz FYHZHTAFSFJWPF-AWEZNQCLSA-N 0 0 480.550 0.245 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000913151381 1070382801 /nfs/dbraw/zinc/38/28/01/1070382801.db2.gz FYHZHTAFSFJWPF-CQSZACIVSA-N 0 0 480.550 0.245 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000913151395 1070382765 /nfs/dbraw/zinc/38/27/65/1070382765.db2.gz GWMUVYCRJLLMCD-UHFFFAOYSA-N 0 0 494.577 0.637 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000913151417 1070383056 /nfs/dbraw/zinc/38/30/56/1070383056.db2.gz IMHXXSWUJJSKNU-UHFFFAOYSA-N 0 0 494.577 0.473 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NC2CC2)c1 ZINC000913151618 1070383024 /nfs/dbraw/zinc/38/30/24/1070383024.db2.gz QFVYEYPBTAKWPS-UHFFFAOYSA-N 0 0 476.562 0.989 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCCC2)c1 ZINC000913151628 1070382987 /nfs/dbraw/zinc/38/29/87/1070382987.db2.gz REQAUSLUAHFZRK-UHFFFAOYSA-N 0 0 462.535 0.716 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NC(C)C)c1 ZINC000913151802 1070382784 /nfs/dbraw/zinc/38/27/84/1070382784.db2.gz XOBXIASOWZPLJL-UHFFFAOYSA-N 0 0 450.524 0.619 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCC(C)C)c1 ZINC000913151804 1070383007 /nfs/dbraw/zinc/38/30/07/1070383007.db2.gz XPOWOSCKKVGEMP-UHFFFAOYSA-N 0 0 464.551 0.866 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000913151824 1070383525 /nfs/dbraw/zinc/38/35/25/1070383525.db2.gz ZBXSDDMHLHKPJC-UHFFFAOYSA-N 0 0 480.550 0.247 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)NCC(=O)N3CCCC3)n2c2ccccc2c1=O ZINC000913163428 1070385617 /nfs/dbraw/zinc/38/56/17/1070385617.db2.gz NJNGBRFDILVGHE-UHFFFAOYSA-N 0 0 484.538 0.604 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@@H](C)C(=O)N3CCC(C(N)=O)CC3)n2c2ccccc2c1=O ZINC000913163470 1070385559 /nfs/dbraw/zinc/38/55/59/1070385559.db2.gz OIJQOBPKXGLAGN-AWEZNQCLSA-N 0 0 498.565 0.978 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@H](C)C(=O)N3CCC(C(N)=O)CC3)n2c2ccccc2c1=O ZINC000913163471 1070385737 /nfs/dbraw/zinc/38/57/37/1070385737.db2.gz OIJQOBPKXGLAGN-CQSZACIVSA-N 0 0 498.565 0.978 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n2c2ccccc2c1=O ZINC000913166041 1070383435 /nfs/dbraw/zinc/38/34/35/1070383435.db2.gz GTRFKSODRNYSPB-CABCVRRESA-N 0 0 498.565 0.978 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n2c2ccccc2c1=O ZINC000913166042 1070383454 /nfs/dbraw/zinc/38/34/54/1070383454.db2.gz GTRFKSODRNYSPB-GJZGRUSLSA-N 0 0 498.565 0.978 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n2c2ccccc2c1=O ZINC000913166043 1070383634 /nfs/dbraw/zinc/38/36/34/1070383634.db2.gz GTRFKSODRNYSPB-HUUCEWRRSA-N 0 0 498.565 0.978 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)O[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n2c2ccccc2c1=O ZINC000913166044 1070383289 /nfs/dbraw/zinc/38/32/89/1070383289.db2.gz GTRFKSODRNYSPB-LSDHHAIUSA-N 0 0 498.565 0.978 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000913173732 1070384538 /nfs/dbraw/zinc/38/45/38/1070384538.db2.gz NMZOTOZYTOVGEC-HNNXBMFYSA-N 0 0 473.507 0.898 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000913173733 1070384723 /nfs/dbraw/zinc/38/47/23/1070384723.db2.gz NMZOTOZYTOVGEC-OAHLLOKOSA-N 0 0 473.507 0.898 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000913173821 1070384472 /nfs/dbraw/zinc/38/44/72/1070384472.db2.gz QAJGQNVWCODPTK-HKUYNNGSSA-N 0 0 471.557 0.098 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000913173822 1070384433 /nfs/dbraw/zinc/38/44/33/1070384433.db2.gz QAJGQNVWCODPTK-IEBWSBKVSA-N 0 0 471.557 0.098 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000913173823 1070384503 /nfs/dbraw/zinc/38/45/03/1070384503.db2.gz QAJGQNVWCODPTK-MJGOQNOKSA-N 0 0 471.557 0.098 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000913173824 1070384393 /nfs/dbraw/zinc/38/43/93/1070384393.db2.gz QAJGQNVWCODPTK-PKOBYXMFSA-N 0 0 471.557 0.098 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000913173854 1070384608 /nfs/dbraw/zinc/38/46/08/1070384608.db2.gz QRTACTYHFNRGJP-GDBMZVCRSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000913173855 1070384486 /nfs/dbraw/zinc/38/44/86/1070384486.db2.gz QRTACTYHFNRGJP-GOEBONIOSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000913173856 1070384557 /nfs/dbraw/zinc/38/45/57/1070384557.db2.gz QRTACTYHFNRGJP-HOCLYGCPSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000913173857 1070384659 /nfs/dbraw/zinc/38/46/59/1070384659.db2.gz QRTACTYHFNRGJP-ZBFHGGJFSA-N 0 0 471.557 0.194 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000913173867 1070384414 /nfs/dbraw/zinc/38/44/14/1070384414.db2.gz RFAVGECXWWVNAK-CRAIPNDOSA-N 0 0 450.517 0.128 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000913173871 1070384742 /nfs/dbraw/zinc/38/47/42/1070384742.db2.gz RFAVGECXWWVNAK-MAUKXSAKSA-N 0 0 450.517 0.128 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000913173872 1070384522 /nfs/dbraw/zinc/38/45/22/1070384522.db2.gz RFAVGECXWWVNAK-QAPCUYQASA-N 0 0 450.517 0.128 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000913173873 1070384645 /nfs/dbraw/zinc/38/46/45/1070384645.db2.gz RFAVGECXWWVNAK-YJBOKZPZSA-N 0 0 450.517 0.128 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000913173910 1070384625 /nfs/dbraw/zinc/38/46/25/1070384625.db2.gz RXXOXFJACLSRDB-FQEVSTJZSA-N 0 0 486.554 0.543 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000913173915 1070384675 /nfs/dbraw/zinc/38/46/75/1070384675.db2.gz RXXOXFJACLSRDB-HXUWFJFHSA-N 0 0 486.554 0.543 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000913174136 1070384451 /nfs/dbraw/zinc/38/44/51/1070384451.db2.gz WYZOJOXYODGDKC-AWEZNQCLSA-N 0 0 452.489 0.069 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000913174137 1070384689 /nfs/dbraw/zinc/38/46/89/1070384689.db2.gz WYZOJOXYODGDKC-CQSZACIVSA-N 0 0 452.489 0.069 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000913174146 1070384704 /nfs/dbraw/zinc/38/47/04/1070384704.db2.gz XLKYEDUOBGHMFR-GDBMZVCRSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000913174147 1070384992 /nfs/dbraw/zinc/38/49/92/1070384992.db2.gz XLKYEDUOBGHMFR-GOEBONIOSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000913174148 1070385265 /nfs/dbraw/zinc/38/52/65/1070385265.db2.gz XLKYEDUOBGHMFR-HOCLYGCPSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000913174149 1070385132 /nfs/dbraw/zinc/38/51/32/1070385132.db2.gz XLKYEDUOBGHMFR-ZBFHGGJFSA-N 0 0 459.480 0.724 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000913174161 1070385340 /nfs/dbraw/zinc/38/53/40/1070385340.db2.gz XTKRZCSVLUJZRB-GDBMZVCRSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000913174162 1070385145 /nfs/dbraw/zinc/38/51/45/1070385145.db2.gz XTKRZCSVLUJZRB-GOEBONIOSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000913174163 1070385076 /nfs/dbraw/zinc/38/50/76/1070385076.db2.gz XTKRZCSVLUJZRB-HOCLYGCPSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000913174164 1070384974 /nfs/dbraw/zinc/38/49/74/1070384974.db2.gz XTKRZCSVLUJZRB-ZBFHGGJFSA-N 0 0 451.501 0.570 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C(C)C)CC1 ZINC000913174178 1070385119 /nfs/dbraw/zinc/38/51/19/1070385119.db2.gz YAEJXYSISKFDRQ-IBGZPJMESA-N 0 0 465.528 0.816 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C(C)C)CC1 ZINC000913174179 1070384918 /nfs/dbraw/zinc/38/49/18/1070384918.db2.gz YAEJXYSISKFDRQ-LJQANCHMSA-N 0 0 465.528 0.816 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C(C)C)CC1 ZINC000913174200 1070385011 /nfs/dbraw/zinc/38/50/11/1070385011.db2.gz YKIFGPYRLFNRSW-IBGZPJMESA-N 0 0 450.517 0.095 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C(C)C)CC1 ZINC000913174201 1070385282 /nfs/dbraw/zinc/38/52/82/1070385282.db2.gz YKIFGPYRLFNRSW-LJQANCHMSA-N 0 0 450.517 0.095 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)C)CC1 ZINC000913242580 1070394157 /nfs/dbraw/zinc/39/41/57/1070394157.db2.gz GYAMCHIFFWJWEV-IBGZPJMESA-N 0 0 465.528 0.816 20 30 JCEDRN COC(=O)C1CCN(C(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)C)CC1 ZINC000913242581 1070394096 /nfs/dbraw/zinc/39/40/96/1070394096.db2.gz GYAMCHIFFWJWEV-LJQANCHMSA-N 0 0 465.528 0.816 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000913242607 1070394190 /nfs/dbraw/zinc/39/41/90/1070394190.db2.gz IIVQDZSRGGAWMH-GDBMZVCRSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000913242608 1070394207 /nfs/dbraw/zinc/39/42/07/1070394207.db2.gz IIVQDZSRGGAWMH-GOEBONIOSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000913242609 1070394280 /nfs/dbraw/zinc/39/42/80/1070394280.db2.gz IIVQDZSRGGAWMH-HOCLYGCPSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000913242610 1070393979 /nfs/dbraw/zinc/39/39/79/1070393979.db2.gz IIVQDZSRGGAWMH-ZBFHGGJFSA-N 0 0 451.501 0.570 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000913242735 1070394077 /nfs/dbraw/zinc/39/40/77/1070394077.db2.gz LDEQSQXOGDJLNK-GDBMZVCRSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000913242737 1070394324 /nfs/dbraw/zinc/39/43/24/1070394324.db2.gz LDEQSQXOGDJLNK-GOEBONIOSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000913242739 1070394266 /nfs/dbraw/zinc/39/42/66/1070394266.db2.gz LDEQSQXOGDJLNK-HOCLYGCPSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000913242740 1070394297 /nfs/dbraw/zinc/39/42/97/1070394297.db2.gz LDEQSQXOGDJLNK-ZBFHGGJFSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000913242986 1070394222 /nfs/dbraw/zinc/39/42/22/1070394222.db2.gz NVBRPRLTZZXWHB-HNNXBMFYSA-N 0 0 473.507 0.898 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000913242988 1070394041 /nfs/dbraw/zinc/39/40/41/1070394041.db2.gz NVBRPRLTZZXWHB-OAHLLOKOSA-N 0 0 473.507 0.898 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000913243049 1070394238 /nfs/dbraw/zinc/39/42/38/1070394238.db2.gz PJKWLJIDBKFMET-FQEVSTJZSA-N 0 0 486.554 0.543 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000913243050 1070394174 /nfs/dbraw/zinc/39/41/74/1070394174.db2.gz PJKWLJIDBKFMET-HXUWFJFHSA-N 0 0 486.554 0.543 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000913243052 1070394488 /nfs/dbraw/zinc/39/44/88/1070394488.db2.gz PNASEOAQXRQNLK-GDBMZVCRSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000913243053 1070394608 /nfs/dbraw/zinc/39/46/08/1070394608.db2.gz PNASEOAQXRQNLK-GOEBONIOSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000913243054 1070394707 /nfs/dbraw/zinc/39/47/07/1070394707.db2.gz PNASEOAQXRQNLK-HOCLYGCPSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000913243055 1070394727 /nfs/dbraw/zinc/39/47/27/1070394727.db2.gz PNASEOAQXRQNLK-ZBFHGGJFSA-N 0 0 471.557 0.194 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000913243237 1070394627 /nfs/dbraw/zinc/39/46/27/1070394627.db2.gz QUPCHWQYXHILSU-CRAIPNDOSA-N 0 0 450.517 0.128 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000913243238 1070394799 /nfs/dbraw/zinc/39/47/99/1070394799.db2.gz QUPCHWQYXHILSU-MAUKXSAKSA-N 0 0 450.517 0.128 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000913243239 1070394687 /nfs/dbraw/zinc/39/46/87/1070394687.db2.gz QUPCHWQYXHILSU-QAPCUYQASA-N 0 0 450.517 0.128 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000913243241 1070394847 /nfs/dbraw/zinc/39/48/47/1070394847.db2.gz QUPCHWQYXHILSU-YJBOKZPZSA-N 0 0 450.517 0.128 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000913243591 1070394782 /nfs/dbraw/zinc/39/47/82/1070394782.db2.gz YASPYKAZYHAVDP-HKUYNNGSSA-N 0 0 471.557 0.098 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000913243593 1070394746 /nfs/dbraw/zinc/39/47/46/1070394746.db2.gz YASPYKAZYHAVDP-IEBWSBKVSA-N 0 0 471.557 0.098 20 30 JCEDRN CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000913243594 1070394471 /nfs/dbraw/zinc/39/44/71/1070394471.db2.gz YASPYKAZYHAVDP-MJGOQNOKSA-N 0 0 471.557 0.098 20 30 JCEDRN CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000913243595 1070394566 /nfs/dbraw/zinc/39/45/66/1070394566.db2.gz YASPYKAZYHAVDP-PKOBYXMFSA-N 0 0 471.557 0.098 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)C)CC1 ZINC000913243660 1070394586 /nfs/dbraw/zinc/39/45/86/1070394586.db2.gz ZNBIDBYDZHHNAV-IBGZPJMESA-N 0 0 450.517 0.095 20 30 JCEDRN CC(=O)N1CCN(C(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)C)CC1 ZINC000913243661 1070395258 /nfs/dbraw/zinc/39/52/58/1070395258.db2.gz ZNBIDBYDZHHNAV-LJQANCHMSA-N 0 0 450.517 0.095 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000913243664 1070395386 /nfs/dbraw/zinc/39/53/86/1070395386.db2.gz ZOFSNHRXPDPXQC-AWEZNQCLSA-N 0 0 452.489 0.069 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000913243667 1070395024 /nfs/dbraw/zinc/39/50/24/1070395024.db2.gz ZOFSNHRXPDPXQC-CQSZACIVSA-N 0 0 452.489 0.069 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000913261668 1070395126 /nfs/dbraw/zinc/39/51/26/1070395126.db2.gz MTWCCJSFEBUBJS-UHFFFAOYSA-N 0 0 461.500 0.145 20 30 JCEDRN CN(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C#N ZINC000913273408 1070396234 /nfs/dbraw/zinc/39/62/34/1070396234.db2.gz UHUYYHYBPRXGKV-HNNXBMFYSA-N 0 0 493.991 0.725 20 30 JCEDRN CN(C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C#N ZINC000913273409 1070396883 /nfs/dbraw/zinc/39/68/83/1070396883.db2.gz UHUYYHYBPRXGKV-OAHLLOKOSA-N 0 0 493.991 0.725 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000913300419 1070397024 /nfs/dbraw/zinc/39/70/24/1070397024.db2.gz IJQZNTLOXMWSNM-GDBMZVCRSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000913300420 1070397358 /nfs/dbraw/zinc/39/73/58/1070397358.db2.gz IJQZNTLOXMWSNM-GOEBONIOSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000913300421 1070397287 /nfs/dbraw/zinc/39/72/87/1070397287.db2.gz IJQZNTLOXMWSNM-HOCLYGCPSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000913300422 1070397111 /nfs/dbraw/zinc/39/71/11/1070397111.db2.gz IJQZNTLOXMWSNM-ZBFHGGJFSA-N 0 0 451.501 0.570 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000913300567 1070397271 /nfs/dbraw/zinc/39/72/71/1070397271.db2.gz OFWBVIZSXDUCDO-AWEZNQCLSA-N 0 0 452.489 0.069 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000913300568 1070397252 /nfs/dbraw/zinc/39/72/52/1070397252.db2.gz OFWBVIZSXDUCDO-CQSZACIVSA-N 0 0 452.489 0.069 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000913300609 1070397337 /nfs/dbraw/zinc/39/73/37/1070397337.db2.gz PNRWELJPMRKTIR-GDBMZVCRSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000913300610 1070397373 /nfs/dbraw/zinc/39/73/73/1070397373.db2.gz PNRWELJPMRKTIR-GOEBONIOSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000913300611 1070397172 /nfs/dbraw/zinc/39/71/72/1070397172.db2.gz PNRWELJPMRKTIR-HOCLYGCPSA-N 0 0 459.480 0.724 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000913300612 1070397194 /nfs/dbraw/zinc/39/71/94/1070397194.db2.gz PNRWELJPMRKTIR-ZBFHGGJFSA-N 0 0 459.480 0.724 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000913300702 1070397156 /nfs/dbraw/zinc/39/71/56/1070397156.db2.gz UMMHMXMBPORYPY-GDBMZVCRSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000913300703 1070397306 /nfs/dbraw/zinc/39/73/06/1070397306.db2.gz UMMHMXMBPORYPY-GOEBONIOSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000913300704 1070397323 /nfs/dbraw/zinc/39/73/23/1070397323.db2.gz UMMHMXMBPORYPY-HOCLYGCPSA-N 0 0 471.557 0.194 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000913300705 1070397136 /nfs/dbraw/zinc/39/71/36/1070397136.db2.gz UMMHMXMBPORYPY-ZBFHGGJFSA-N 0 0 471.557 0.194 20 30 JCEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000913300717 1070397074 /nfs/dbraw/zinc/39/70/74/1070397074.db2.gz UUSWAVNJCMWQJG-HNNXBMFYSA-N 0 0 473.507 0.898 20 30 JCEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000913300718 1070397233 /nfs/dbraw/zinc/39/72/33/1070397233.db2.gz UUSWAVNJCMWQJG-OAHLLOKOSA-N 0 0 473.507 0.898 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000913317517 1070399283 /nfs/dbraw/zinc/39/92/83/1070399283.db2.gz ZPXLHEVHFIHIFH-UHFFFAOYSA-N 0 0 486.506 0.112 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000913328532 1070402339 /nfs/dbraw/zinc/40/23/39/1070402339.db2.gz QCHNCAQDYWQHAF-HNNXBMFYSA-N 0 0 454.461 0.693 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000913328533 1070402166 /nfs/dbraw/zinc/40/21/66/1070402166.db2.gz QCHNCAQDYWQHAF-OAHLLOKOSA-N 0 0 454.461 0.693 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(C(N)=O)c2)CC1 ZINC000913330276 1070402395 /nfs/dbraw/zinc/40/23/95/1070402395.db2.gz IADGPILHDZBEAN-UHFFFAOYSA-N 0 0 456.480 0.347 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1ccc2c(n1)n(C)c(=O)n(C)c2=O ZINC000913374501 1070411840 /nfs/dbraw/zinc/41/18/40/1070411840.db2.gz GSGLLGKBRPJVPE-UHFFFAOYSA-N 0 0 482.497 0.754 20 30 JCEDRN Cn1c(=O)c2ccc(C(=O)OCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)nc2n(C)c1=O ZINC000913375473 1070415790 /nfs/dbraw/zinc/41/57/90/1070415790.db2.gz SPVMCBJYOWTTQX-UHFFFAOYSA-N 0 0 474.395 0.976 20 30 JCEDRN C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000913529042 1070429194 /nfs/dbraw/zinc/42/91/94/1070429194.db2.gz UININCOWLUVWQK-OAHLLOKOSA-N 0 0 462.553 0.647 20 30 JCEDRN C=CCn1c(SCC(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nnc1C1CC1 ZINC000913534548 1070428292 /nfs/dbraw/zinc/42/82/92/1070428292.db2.gz YSZYWNKSWLAYDF-UHFFFAOYSA-N 0 0 494.599 0.750 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000913540601 1070430976 /nfs/dbraw/zinc/43/09/76/1070430976.db2.gz AQXLZKBCLQBCDJ-OAHLLOKOSA-N 0 0 492.579 0.655 20 30 JCEDRN C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000913540700 1070431202 /nfs/dbraw/zinc/43/12/02/1070431202.db2.gz LZOKOHWWYWFJIW-CQSZACIVSA-N 0 0 480.543 0.786 20 30 JCEDRN C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000913589501 1067790799 /nfs/dbraw/zinc/79/07/99/1067790799.db2.gz UPZYPLVDWXOSCI-CYBMUJFWSA-N 0 0 496.542 0.912 20 30 JCEDRN C=CCn1c(=S)sc2c1ncn(CC(=O)N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)c2=O ZINC000913600905 1067793024 /nfs/dbraw/zinc/79/30/24/1067793024.db2.gz RPVLSPASXLXTHJ-CYBMUJFWSA-N 0 0 469.614 0.506 20 30 JCEDRN C=CCn1c(=S)sc2c1ncn(CC(=O)N1CCN([C@H]3CCS(=O)(=O)C3)CC1)c2=O ZINC000913600906 1067793139 /nfs/dbraw/zinc/79/31/39/1067793139.db2.gz RPVLSPASXLXTHJ-ZDUSSCGKSA-N 0 0 469.614 0.506 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c1 ZINC000913611220 1067795894 /nfs/dbraw/zinc/79/58/94/1067795894.db2.gz MGUXJCAASNPPIO-FRKPEAEDSA-N 0 0 467.463 0.754 20 30 JCEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c1 ZINC000913611254 1067795685 /nfs/dbraw/zinc/79/56/85/1067795685.db2.gz PAQIIMRZVXNPCJ-UHFFFAOYSA-N 0 0 457.468 0.616 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000913675155 1067799403 /nfs/dbraw/zinc/79/94/03/1067799403.db2.gz BONXQLXWPJDGGP-VBQJREDUSA-N 0 0 464.544 0.405 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000913675156 1067799279 /nfs/dbraw/zinc/79/92/79/1067799279.db2.gz BONXQLXWPJDGGP-ZQIUZPCESA-N 0 0 464.544 0.405 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000913675558 1067799419 /nfs/dbraw/zinc/79/94/19/1067799419.db2.gz PEWTXARVFHGOGL-ACJLOTCBSA-N 0 0 464.544 0.418 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000913675559 1067799220 /nfs/dbraw/zinc/79/92/20/1067799220.db2.gz PEWTXARVFHGOGL-UGSOOPFHSA-N 0 0 464.544 0.418 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000913675903 1067799376 /nfs/dbraw/zinc/79/93/76/1067799376.db2.gz UELQFLQIPRFBOE-SFHVURJKSA-N 0 0 450.517 0.032 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000913675972 1067799182 /nfs/dbraw/zinc/79/91/82/1067799182.db2.gz XDXQFJTZKXTAGH-FQEVSTJZSA-N 0 0 486.554 0.432 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000913676155 1067799457 /nfs/dbraw/zinc/79/94/57/1067799457.db2.gz ZWTMDGYEKDICPF-DYVFJYSZSA-N 0 0 464.544 0.405 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000913676156 1067799303 /nfs/dbraw/zinc/79/93/03/1067799303.db2.gz ZWTMDGYEKDICPF-GUYCJALGSA-N 0 0 464.544 0.405 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000913676161 1067799867 /nfs/dbraw/zinc/79/98/67/1067799867.db2.gz ZYZSHTUDQXUINH-QAPCUYQASA-N 0 0 494.570 0.982 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000913676162 1067799721 /nfs/dbraw/zinc/79/97/21/1067799721.db2.gz ZYZSHTUDQXUINH-YJBOKZPZSA-N 0 0 494.570 0.982 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000913730588 1067801760 /nfs/dbraw/zinc/80/17/60/1067801760.db2.gz AOWHBNOBJDOGPD-INIZCTEOSA-N 0 0 464.544 0.422 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000913730589 1067801807 /nfs/dbraw/zinc/80/18/07/1067801807.db2.gz AOWHBNOBJDOGPD-MRXNPFEDSA-N 0 0 464.544 0.422 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000913731397 1067801659 /nfs/dbraw/zinc/80/16/59/1067801659.db2.gz GWYMOQAVUVKLKB-PBHICJAKSA-N 0 0 478.571 0.795 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000913731398 1067801889 /nfs/dbraw/zinc/80/18/89/1067801889.db2.gz GWYMOQAVUVKLKB-YOEHRIQHSA-N 0 0 478.571 0.795 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000913731947 1067801870 /nfs/dbraw/zinc/80/18/70/1067801870.db2.gz BRLGSDRQTNTUNR-PBHICJAKSA-N 0 0 478.571 0.809 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000913731948 1067801900 /nfs/dbraw/zinc/80/19/00/1067801900.db2.gz BRLGSDRQTNTUNR-YOEHRIQHSA-N 0 0 478.571 0.809 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000913732207 1067802729 /nfs/dbraw/zinc/80/27/29/1067802729.db2.gz MIOVJQLBQFCDPM-INMHGKMJSA-N 0 0 478.571 0.795 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000913732208 1067802740 /nfs/dbraw/zinc/80/27/40/1067802740.db2.gz MIOVJQLBQFCDPM-VYDXJSESSA-N 0 0 478.571 0.795 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)c1 ZINC000914426095 1067835018 /nfs/dbraw/zinc/83/50/18/1067835018.db2.gz YDSUUGLDNHWLMN-HNNXBMFYSA-N 0 0 453.517 0.997 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)c1 ZINC000914426096 1067835076 /nfs/dbraw/zinc/83/50/76/1067835076.db2.gz YDSUUGLDNHWLMN-OAHLLOKOSA-N 0 0 453.517 0.997 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 ZINC000914426295 1067834036 /nfs/dbraw/zinc/83/40/36/1067834036.db2.gz CSJDHSGZSQWBCW-DOTOQJQBSA-N 0 0 458.558 0.636 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 ZINC000914426296 1067834019 /nfs/dbraw/zinc/83/40/19/1067834019.db2.gz CSJDHSGZSQWBCW-NVXWUHKLSA-N 0 0 458.558 0.636 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 ZINC000914426297 1067834178 /nfs/dbraw/zinc/83/41/78/1067834178.db2.gz CSJDHSGZSQWBCW-RDJZCZTQSA-N 0 0 458.558 0.636 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 ZINC000914426298 1067834157 /nfs/dbraw/zinc/83/41/57/1067834157.db2.gz CSJDHSGZSQWBCW-WBVHZDCISA-N 0 0 458.558 0.636 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)c2c(N)n(CCC)c(=O)[nH]c2=O)ccc1F ZINC000914462580 1067844936 /nfs/dbraw/zinc/84/49/36/1067844936.db2.gz YNXISPNKTUFLGP-UHFFFAOYSA-N 0 0 483.522 0.838 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000914462962 1067844823 /nfs/dbraw/zinc/84/48/23/1067844823.db2.gz JBUOIKMUQFHQGM-AWEZNQCLSA-N 0 0 461.537 0.055 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000914462963 1067844844 /nfs/dbraw/zinc/84/48/44/1067844844.db2.gz JBUOIKMUQFHQGM-CQSZACIVSA-N 0 0 461.537 0.055 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)ccc1F ZINC000914467407 1067845830 /nfs/dbraw/zinc/84/58/30/1067845830.db2.gz AHACTDMIEMLHKZ-UHFFFAOYSA-N 0 0 462.569 0.634 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000914493200 1067846343 /nfs/dbraw/zinc/84/63/43/1067846343.db2.gz NFLLMWVTLNZKOM-UHFFFAOYSA-N 0 0 471.605 0.236 20 30 JCEDRN COc1cc(OC)cc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000914498175 1067846832 /nfs/dbraw/zinc/84/68/32/1067846832.db2.gz KWVKCFXVYSWZJH-UHFFFAOYSA-N 0 0 472.523 0.727 20 30 JCEDRN Cc1nc(C)c(C#N)c(SCC(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 ZINC000914530441 1067848332 /nfs/dbraw/zinc/84/83/32/1067848332.db2.gz AUJLFPUYPKPBPK-UHFFFAOYSA-N 0 0 478.556 0.373 20 30 JCEDRN CNC(=O)CC1SC(=Nc2cccc(NC(C)=O)c2)N(CCCNS(C)(=O)=O)C1=O ZINC000914555135 1067850293 /nfs/dbraw/zinc/85/02/93/1067850293.db2.gz AKMUIQFXRFUTNU-HNNXBMFYSA-N 0 0 455.562 0.652 20 30 JCEDRN CNC(=O)CC1SC(=Nc2cccc(NC(C)=O)c2)N(CCCNS(C)(=O)=O)C1=O ZINC000914555136 1067850310 /nfs/dbraw/zinc/85/03/10/1067850310.db2.gz AKMUIQFXRFUTNU-OAHLLOKOSA-N 0 0 455.562 0.652 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCCO2 ZINC000914557956 1067849934 /nfs/dbraw/zinc/84/99/34/1067849934.db2.gz UXZLUCKSUWPIPZ-KRWDZBQOSA-N 0 0 482.584 0.997 20 30 JCEDRN CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCCO2 ZINC000914557957 1067849833 /nfs/dbraw/zinc/84/98/33/1067849833.db2.gz UXZLUCKSUWPIPZ-QGZVFWFLSA-N 0 0 482.584 0.997 20 30 JCEDRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=S)NCCCN2CCOCC2)CC1 ZINC000914559350 1067849690 /nfs/dbraw/zinc/84/96/90/1067849690.db2.gz KQWFWSCLQNJDTG-UHFFFAOYSA-N 0 0 457.626 0.353 20 30 JCEDRN COCCn1c(=O)c(=Cc2csc(Br)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000914564778 1067850707 /nfs/dbraw/zinc/85/07/07/1067850707.db2.gz BTMPEWNWUBASGU-UHFFFAOYSA-N 0 0 484.397 0.742 20 30 JCEDRN COc1ccc(N2CCN(C(=O)C(C#N)=c3sc(=Cc4ccnn4C)c(=O)n3C3CC3)CC2)cc1 ZINC000914564794 1067850628 /nfs/dbraw/zinc/85/06/28/1067850628.db2.gz CZMAJZKFRSLLCQ-UHFFFAOYSA-N 0 0 490.589 0.839 20 30 JCEDRN CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000914564815 1067850553 /nfs/dbraw/zinc/85/05/53/1067850553.db2.gz FGRGNJCMCZFSDC-UHFFFAOYSA-N 0 0 492.605 0.914 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)cc1 ZINC000914564856 1067850823 /nfs/dbraw/zinc/85/08/23/1067850823.db2.gz HRJFBWSATWZDIP-UHFFFAOYSA-N 0 0 467.551 0.687 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cc1 ZINC000914564858 1067850838 /nfs/dbraw/zinc/85/08/38/1067850838.db2.gz HXZMYCFSPCRULZ-UHFFFAOYSA-N 0 0 451.508 0.003 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000914564865 1067850770 /nfs/dbraw/zinc/85/07/70/1067850770.db2.gz IKFVUUROKZRGPF-UHFFFAOYSA-N 0 0 496.568 0.281 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCOC ZINC000914564881 1067850689 /nfs/dbraw/zinc/85/06/89/1067850689.db2.gz JFPVJRZWPXBQPL-UHFFFAOYSA-N 0 0 453.524 0.830 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CCOC ZINC000914564893 1067850794 /nfs/dbraw/zinc/85/07/94/1067850794.db2.gz KIZVZGJOTPTFBN-UHFFFAOYSA-N 0 0 472.386 0.646 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)cc1 ZINC000914564934 1067850724 /nfs/dbraw/zinc/85/07/24/1067850724.db2.gz MPLOVPDAHPCWRP-UHFFFAOYSA-N 0 0 453.524 0.297 20 30 JCEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C2CC2)c1=O ZINC000914564948 1067850567 /nfs/dbraw/zinc/85/05/67/1067850567.db2.gz NNAUJASXBVKQIZ-UHFFFAOYSA-N 0 0 476.562 0.957 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccc(OC)cc2)CC1 ZINC000914565053 1067850743 /nfs/dbraw/zinc/85/07/43/1067850743.db2.gz RDPBMSHQLICBLM-UHFFFAOYSA-N 0 0 478.578 0.308 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000914565057 1067850613 /nfs/dbraw/zinc/85/06/13/1067850613.db2.gz RKJXPNFHVYTPHA-UHFFFAOYSA-N 0 0 478.578 0.142 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000914565061 1067850677 /nfs/dbraw/zinc/85/06/77/1067850677.db2.gz RSPGTVKKKQXDPM-UHFFFAOYSA-N 0 0 490.589 0.690 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000914565063 1067850600 /nfs/dbraw/zinc/85/06/00/1067850600.db2.gz RTPHEZFFRPBWHO-UHFFFAOYSA-N 0 0 497.577 0.169 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000914565077 1067850807 /nfs/dbraw/zinc/85/08/07/1067850807.db2.gz RWGAFVKOIDVJCA-UHFFFAOYSA-N 0 0 476.562 0.808 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000914565089 1067850781 /nfs/dbraw/zinc/85/07/81/1067850781.db2.gz SFAJZTDKGFXXFM-UHFFFAOYSA-N 0 0 494.577 0.268 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000914565140 1067850586 /nfs/dbraw/zinc/85/05/86/1067850586.db2.gz VXIMGONIVTZIAZ-UHFFFAOYSA-N 0 0 467.507 0.203 20 30 JCEDRN C#CCN1CCN(CN2C(=S)N(CCCC)[C@H]3C=CC(S(=O)(=O)N4CCOCC4)=C[C@H]32)CC1 ZINC000914566003 1067851107 /nfs/dbraw/zinc/85/11/07/1067851107.db2.gz KWGLLOOLLUDSQI-FCHUYYIVSA-N 0 0 493.699 0.750 20 30 JCEDRN C#CCN1CCN(CN2C(=S)N(CCCC)[C@@H]3C=CC(S(=O)(=O)N4CCOCC4)=C[C@H]32)CC1 ZINC000914566004 1067851048 /nfs/dbraw/zinc/85/10/48/1067851048.db2.gz KWGLLOOLLUDSQI-FGZHOGPDSA-N 0 0 493.699 0.750 20 30 JCEDRN C#CCN1CCN(CN2C(=S)N(CCCC)[C@H]3C=CC(S(=O)(=O)N4CCOCC4)=C[C@@H]32)CC1 ZINC000914566005 1067851015 /nfs/dbraw/zinc/85/10/15/1067851015.db2.gz KWGLLOOLLUDSQI-VXKWHMMOSA-N 0 0 493.699 0.750 20 30 JCEDRN C#CCN1CCN(CN2C(=S)N(CCCC)[C@@H]3C=CC(S(=O)(=O)N4CCOCC4)=C[C@@H]32)CC1 ZINC000914566006 1067851263 /nfs/dbraw/zinc/85/12/63/1067851263.db2.gz KWGLLOOLLUDSQI-YADHBBJMSA-N 0 0 493.699 0.750 20 30 JCEDRN C=CCn1c2nn(CN3CCN(S(=O)(=O)N(C)C)CC3)c(=S)n2c2ccccc2c1=O ZINC000914567545 1067851579 /nfs/dbraw/zinc/85/15/79/1067851579.db2.gz AUNPOVAQAFBHHB-UHFFFAOYSA-N 0 0 463.589 0.748 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cc(Cl)ccc3OC)CC2)c1=O ZINC000914569122 1067852015 /nfs/dbraw/zinc/85/20/15/1067852015.db2.gz PPDOKKNWGNMOAW-UHFFFAOYSA-N 0 0 461.950 0.981 20 30 JCEDRN C=CCNC(=O)Cn1c(=O)c(=Cc2ccc(N3CCOCC3)cc2)sc1=CC(=O)C1CC1 ZINC000914579992 1067853720 /nfs/dbraw/zinc/85/37/20/1067853720.db2.gz SBDBUBMFIXZXAE-UHFFFAOYSA-N 0 0 453.564 0.637 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCOCC(F)(F)F)CC1 ZINC000914594043 1067854640 /nfs/dbraw/zinc/85/46/40/1067854640.db2.gz ZXPWQTCSBZTEEB-UHFFFAOYSA-N 0 0 463.434 0.903 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)ccc1F ZINC000914595401 1067855079 /nfs/dbraw/zinc/85/50/79/1067855079.db2.gz KGEBOOIPXHJNJE-UHFFFAOYSA-N 0 0 465.507 0.983 20 30 JCEDRN CC(C)CN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000914597403 1067855389 /nfs/dbraw/zinc/85/53/89/1067855389.db2.gz MBXFQWAJQYQVNJ-GOSISDBHSA-N 0 0 476.555 0.439 20 30 JCEDRN CC(C)CN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000914597404 1067855404 /nfs/dbraw/zinc/85/54/04/1067855404.db2.gz MBXFQWAJQYQVNJ-SFHVURJKSA-N 0 0 476.555 0.439 20 30 JCEDRN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000914606707 1067856762 /nfs/dbraw/zinc/85/67/62/1067856762.db2.gz KWDHIGZHUVFNKW-UHFFFAOYSA-N 0 0 497.643 0.769 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000914606714 1067856781 /nfs/dbraw/zinc/85/67/81/1067856781.db2.gz LHAULDUHXUCFNY-UHFFFAOYSA-N 0 0 482.628 0.865 20 30 JCEDRN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000914606849 1067856775 /nfs/dbraw/zinc/85/67/75/1067856775.db2.gz UENSXGYOGCHWMN-UHFFFAOYSA-N 0 0 483.616 0.379 20 30 JCEDRN CCOC(=O)c1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 ZINC000914609188 1067856765 /nfs/dbraw/zinc/85/67/65/1067856765.db2.gz CTEUGHYBNXPLJV-UHFFFAOYSA-N 0 0 457.512 0.646 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000914626349 1067862048 /nfs/dbraw/zinc/86/20/48/1067862048.db2.gz LHJVQEKBWUYVTM-GOSISDBHSA-N 0 0 484.538 0.393 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000914626350 1067862064 /nfs/dbraw/zinc/86/20/64/1067862064.db2.gz LHJVQEKBWUYVTM-SFHVURJKSA-N 0 0 484.538 0.393 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000914632358 1067863014 /nfs/dbraw/zinc/86/30/14/1067863014.db2.gz NDPAWXVLPOVFTL-AWEZNQCLSA-N 0 0 453.517 0.827 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000914632359 1067863086 /nfs/dbraw/zinc/86/30/86/1067863086.db2.gz NDPAWXVLPOVFTL-CQSZACIVSA-N 0 0 453.517 0.827 20 30 JCEDRN C[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000914651963 1067871776 /nfs/dbraw/zinc/87/17/76/1067871776.db2.gz JGERVJIRKVIPHC-DSESUSJESA-N 0 0 453.561 0.885 20 30 JCEDRN C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000914651967 1067871582 /nfs/dbraw/zinc/87/15/82/1067871582.db2.gz JGERVJIRKVIPHC-KVQOCUKLSA-N 0 0 453.561 0.885 20 30 JCEDRN C[C@H](OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000914651970 1067872115 /nfs/dbraw/zinc/87/21/15/1067872115.db2.gz JGERVJIRKVIPHC-QHVLMSRDSA-N 0 0 453.561 0.885 20 30 JCEDRN C[C@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000914651972 1067872029 /nfs/dbraw/zinc/87/20/29/1067872029.db2.gz JGERVJIRKVIPHC-WFMQRQJPSA-N 0 0 453.561 0.885 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000914652067 1067871985 /nfs/dbraw/zinc/87/19/85/1067871985.db2.gz TYPFPAMLHMBAEJ-AEFFLSMTSA-N 0 0 477.539 0.911 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000914652068 1067871976 /nfs/dbraw/zinc/87/19/76/1067871976.db2.gz TYPFPAMLHMBAEJ-FUHWJXTLSA-N 0 0 477.539 0.911 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000914652069 1067872052 /nfs/dbraw/zinc/87/20/52/1067872052.db2.gz TYPFPAMLHMBAEJ-SJLPKXTDSA-N 0 0 477.539 0.911 20 30 JCEDRN CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000914652070 1067872541 /nfs/dbraw/zinc/87/25/41/1067872541.db2.gz TYPFPAMLHMBAEJ-WMZOPIPTSA-N 0 0 477.539 0.911 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000914652752 1067874082 /nfs/dbraw/zinc/87/40/82/1067874082.db2.gz GZLKZZUDHWDHBR-DLBZAZTESA-N 0 0 494.570 0.530 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000914652753 1067874232 /nfs/dbraw/zinc/87/42/32/1067874232.db2.gz GZLKZZUDHWDHBR-IAGOWNOFSA-N 0 0 494.570 0.530 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000914652754 1067874072 /nfs/dbraw/zinc/87/40/72/1067874072.db2.gz GZLKZZUDHWDHBR-IRXDYDNUSA-N 0 0 494.570 0.530 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000914652755 1067874064 /nfs/dbraw/zinc/87/40/64/1067874064.db2.gz GZLKZZUDHWDHBR-SJORKVTESA-N 0 0 494.570 0.530 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000914652857 1067874662 /nfs/dbraw/zinc/87/46/62/1067874662.db2.gz NDKGSMBGUUUMGY-BBWFWOEESA-N 0 0 477.539 0.909 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000914652859 1067874517 /nfs/dbraw/zinc/87/45/17/1067874517.db2.gz NDKGSMBGUUUMGY-GVDBMIGSSA-N 0 0 477.539 0.909 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000914652861 1067874600 /nfs/dbraw/zinc/87/46/00/1067874600.db2.gz NDKGSMBGUUUMGY-ULQDDVLXSA-N 0 0 477.539 0.909 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000914652863 1067874674 /nfs/dbraw/zinc/87/46/74/1067874674.db2.gz NDKGSMBGUUUMGY-YESZJQIVSA-N 0 0 477.539 0.909 20 30 JCEDRN O=C(COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000914653118 1067874927 /nfs/dbraw/zinc/87/49/27/1067874927.db2.gz OKNVERWSHLFLDB-DOTOQJQBSA-N 0 0 486.468 0.752 20 30 JCEDRN O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000914653120 1067875171 /nfs/dbraw/zinc/87/51/71/1067875171.db2.gz OKNVERWSHLFLDB-NVXWUHKLSA-N 0 0 486.468 0.752 20 30 JCEDRN O=C(COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000914653122 1067875418 /nfs/dbraw/zinc/87/54/18/1067875418.db2.gz OKNVERWSHLFLDB-RDJZCZTQSA-N 0 0 486.468 0.752 20 30 JCEDRN O=C(COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000914653124 1067875466 /nfs/dbraw/zinc/87/54/66/1067875466.db2.gz OKNVERWSHLFLDB-WBVHZDCISA-N 0 0 486.468 0.752 20 30 JCEDRN N#CCSc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000914654401 1067877726 /nfs/dbraw/zinc/87/77/26/1067877726.db2.gz UCCJJVPJSBXCOM-KBPBESRZSA-N 0 0 451.526 0.820 20 30 JCEDRN N#CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000914654405 1067877736 /nfs/dbraw/zinc/87/77/36/1067877736.db2.gz UCCJJVPJSBXCOM-KGLIPLIRSA-N 0 0 451.526 0.820 20 30 JCEDRN N#CCSc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000914654407 1067877716 /nfs/dbraw/zinc/87/77/16/1067877716.db2.gz UCCJJVPJSBXCOM-UONOGXRCSA-N 0 0 451.526 0.820 20 30 JCEDRN N#CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000914654408 1067877802 /nfs/dbraw/zinc/87/78/02/1067877802.db2.gz UCCJJVPJSBXCOM-ZIAGYGMSSA-N 0 0 451.526 0.820 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1F ZINC000914657213 1067881516 /nfs/dbraw/zinc/88/15/16/1067881516.db2.gz CGCSOUICPZJQFN-UHFFFAOYSA-N 0 0 479.490 0.284 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)ccc1F ZINC000914657418 1067881712 /nfs/dbraw/zinc/88/17/12/1067881712.db2.gz IPWLCZQLAHDSPR-PBHICJAKSA-N 0 0 476.548 0.775 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)ccc1F ZINC000914657419 1067881951 /nfs/dbraw/zinc/88/19/51/1067881951.db2.gz IPWLCZQLAHDSPR-RHSMWYFYSA-N 0 0 476.548 0.775 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)ccc1F ZINC000914657421 1067881835 /nfs/dbraw/zinc/88/18/35/1067881835.db2.gz IPWLCZQLAHDSPR-WMLDXEAASA-N 0 0 476.548 0.775 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)ccc1F ZINC000914657422 1067882089 /nfs/dbraw/zinc/88/20/89/1067882089.db2.gz IPWLCZQLAHDSPR-YOEHRIQHSA-N 0 0 476.548 0.775 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)ccc1F ZINC000914657470 1067881980 /nfs/dbraw/zinc/88/19/80/1067881980.db2.gz MNJBJPWKTPRCHU-HNNXBMFYSA-N 0 0 477.518 0.974 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)ccc1F ZINC000914657471 1067882034 /nfs/dbraw/zinc/88/20/34/1067882034.db2.gz MNJBJPWKTPRCHU-OAHLLOKOSA-N 0 0 477.518 0.974 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(C(=O)OCC)CC2)ccc1F ZINC000914658871 1067885986 /nfs/dbraw/zinc/88/59/86/1067885986.db2.gz MWLDCYLHYVCYJM-UHFFFAOYSA-N 0 0 457.480 0.748 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1F ZINC000914658887 1067885809 /nfs/dbraw/zinc/88/58/09/1067885809.db2.gz NWPDSGSLHMVPLQ-UHFFFAOYSA-N 0 0 471.488 0.733 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000914658929 1067885734 /nfs/dbraw/zinc/88/57/34/1067885734.db2.gz RKXOTSUUCLQDOB-AWEZNQCLSA-N 0 0 462.521 0.482 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000914658930 1067886014 /nfs/dbraw/zinc/88/60/14/1067886014.db2.gz RKXOTSUUCLQDOB-CQSZACIVSA-N 0 0 462.521 0.482 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)ccc1F ZINC000914658948 1067885595 /nfs/dbraw/zinc/88/55/95/1067885595.db2.gz SMRAUKWPIQLWJO-UHFFFAOYSA-N 0 0 497.526 0.684 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000914658986 1067885792 /nfs/dbraw/zinc/88/57/92/1067885792.db2.gz XHNRJUBZHITMHQ-UHFFFAOYSA-N 0 0 471.488 0.733 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1F ZINC000914659087 1067885744 /nfs/dbraw/zinc/88/57/44/1067885744.db2.gz GEGVVJMNAOICKW-UHFFFAOYSA-N 0 0 496.517 0.979 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000914659092 1067885631 /nfs/dbraw/zinc/88/56/31/1067885631.db2.gz GPQZJCDKLPUFPC-DZGCQCFKSA-N 0 0 476.548 0.871 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000914659093 1067885833 /nfs/dbraw/zinc/88/58/33/1067885833.db2.gz GPQZJCDKLPUFPC-HIFRSBDPSA-N 0 0 476.548 0.871 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000914659094 1067885895 /nfs/dbraw/zinc/88/58/95/1067885895.db2.gz GPQZJCDKLPUFPC-UKRRQHHQSA-N 0 0 476.548 0.871 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000914659095 1067885775 /nfs/dbraw/zinc/88/57/75/1067885775.db2.gz GPQZJCDKLPUFPC-ZFWWWQNUSA-N 0 0 476.548 0.871 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000914659421 1067885761 /nfs/dbraw/zinc/88/57/61/1067885761.db2.gz RQJCEMSKXGHXSB-GXTWGEPZSA-N 0 0 462.521 0.481 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000914659422 1067885661 /nfs/dbraw/zinc/88/56/61/1067885661.db2.gz RQJCEMSKXGHXSB-JSGCOSHPSA-N 0 0 462.521 0.481 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000914659423 1067885862 /nfs/dbraw/zinc/88/58/62/1067885862.db2.gz RQJCEMSKXGHXSB-OCCSQVGLSA-N 0 0 462.521 0.481 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000914659424 1067886427 /nfs/dbraw/zinc/88/64/27/1067886427.db2.gz RQJCEMSKXGHXSB-TZMCWYRMSA-N 0 0 462.521 0.481 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)ccc1F ZINC000914659458 1067886281 /nfs/dbraw/zinc/88/62/81/1067886281.db2.gz UBZXCNNOEQMVCK-UHFFFAOYSA-N 0 0 498.577 0.506 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCCN2c2ncccn2)CC1 ZINC000914664293 1067891477 /nfs/dbraw/zinc/89/14/77/1067891477.db2.gz XFMPRJCOTMMWER-IBGZPJMESA-N 0 0 498.565 0.783 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCCN2c2ncccn2)CC1 ZINC000914664294 1067891675 /nfs/dbraw/zinc/89/16/75/1067891675.db2.gz XFMPRJCOTMMWER-LJQANCHMSA-N 0 0 498.565 0.783 20 30 JCEDRN Cc1oc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c(C#N)c1C ZINC000914664975 1067892227 /nfs/dbraw/zinc/89/22/27/1067892227.db2.gz FAGDQRDCMBXSAP-UHFFFAOYSA-N 0 0 460.468 0.684 20 30 JCEDRN N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2=O)cc1 ZINC000914665198 1067892639 /nfs/dbraw/zinc/89/26/39/1067892639.db2.gz NFFPFTIXMMFAIQ-IBGZPJMESA-N 0 0 468.491 0.641 20 30 JCEDRN N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2=O)cc1 ZINC000914665199 1067892687 /nfs/dbraw/zinc/89/26/87/1067892687.db2.gz NFFPFTIXMMFAIQ-LJQANCHMSA-N 0 0 468.491 0.641 20 30 JCEDRN N#CCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000914665691 1067887063 /nfs/dbraw/zinc/88/70/63/1067887063.db2.gz ZTSMXNDDOYFOEB-UHFFFAOYSA-N 0 0 456.480 0.669 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000914666460 1067888211 /nfs/dbraw/zinc/88/82/11/1067888211.db2.gz YRMVAAKNDHVLCA-AWEZNQCLSA-N 0 0 456.480 0.863 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000914666461 1067888234 /nfs/dbraw/zinc/88/82/34/1067888234.db2.gz YRMVAAKNDHVLCA-CQSZACIVSA-N 0 0 456.480 0.863 20 30 JCEDRN N#CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 ZINC000914667502 1067889128 /nfs/dbraw/zinc/88/91/28/1067889128.db2.gz CCZKFUIKHSPTDT-UHFFFAOYSA-N 0 0 456.480 0.521 20 30 JCEDRN CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1(C#N)CCCCC1 ZINC000914667903 1067889479 /nfs/dbraw/zinc/88/94/79/1067889479.db2.gz LBSQIJMXZZGEIY-UHFFFAOYSA-N 0 0 462.528 0.649 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)Nc1ccccc1C#N ZINC000914668085 1067889871 /nfs/dbraw/zinc/88/98/71/1067889871.db2.gz OGTUYOUVTQLGLQ-AWEZNQCLSA-N 0 0 456.480 0.863 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)Nc1ccccc1C#N ZINC000914668086 1067889773 /nfs/dbraw/zinc/88/97/73/1067889773.db2.gz OGTUYOUVTQLGLQ-CQSZACIVSA-N 0 0 456.480 0.863 20 30 JCEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000914668319 1067890123 /nfs/dbraw/zinc/89/01/23/1067890123.db2.gz PPJWGPLJNJXYAX-HNNXBMFYSA-N 0 0 462.528 0.695 20 30 JCEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000914668320 1067890158 /nfs/dbraw/zinc/89/01/58/1067890158.db2.gz PPJWGPLJNJXYAX-OAHLLOKOSA-N 0 0 462.528 0.695 20 30 JCEDRN N#CCCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 ZINC000914668324 1067890271 /nfs/dbraw/zinc/89/02/71/1067890271.db2.gz PSXFTIIUZQWTHP-UHFFFAOYSA-N 0 0 470.507 0.911 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000914668366 1067890194 /nfs/dbraw/zinc/89/01/94/1067890194.db2.gz QPVORVBFZDNRRF-JLTOFOAXSA-N 0 0 450.517 0.407 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000914668371 1067890096 /nfs/dbraw/zinc/89/00/96/1067890096.db2.gz QPVORVBFZDNRRF-VBKZILBWSA-N 0 0 450.517 0.407 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000914668373 1067890636 /nfs/dbraw/zinc/89/06/36/1067890636.db2.gz QPVORVBFZDNRRF-VLIAUNLRSA-N 0 0 450.517 0.407 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000914668376 1067890472 /nfs/dbraw/zinc/89/04/72/1067890472.db2.gz QPVORVBFZDNRRF-XOBRGWDASA-N 0 0 450.517 0.407 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)/C=C\c3ccccc3)CC2)o1 ZINC000914683348 1067898103 /nfs/dbraw/zinc/89/81/03/1067898103.db2.gz BBJDSJFOAPJDGT-GHXNOFRVSA-N 0 0 473.511 0.637 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c3ccccc3)CC2)o1 ZINC000914683349 1067898087 /nfs/dbraw/zinc/89/80/87/1067898087.db2.gz BBJDSJFOAPJDGT-KPKJPENVSA-N 0 0 473.511 0.637 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)o1 ZINC000914683431 1067898493 /nfs/dbraw/zinc/89/84/93/1067898493.db2.gz CNAMTGBRRHLOEX-UHFFFAOYSA-N 0 0 486.510 0.552 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)o1 ZINC000914683436 1067898338 /nfs/dbraw/zinc/89/83/38/1067898338.db2.gz CVQHHLKHHLLTOC-UHFFFAOYSA-N 0 0 466.454 0.412 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000914683478 1067898520 /nfs/dbraw/zinc/89/85/20/1067898520.db2.gz FRELEVWDELKSCH-UHFFFAOYSA-N 0 0 455.427 0.205 20 30 JCEDRN COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000914683579 1067898357 /nfs/dbraw/zinc/89/83/57/1067898357.db2.gz HBMHBHGKPVYGQX-UHFFFAOYSA-N 0 0 471.470 0.494 20 30 JCEDRN CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000914683738 1067898170 /nfs/dbraw/zinc/89/81/70/1067898170.db2.gz JKXZTSJGBNIDBR-UHFFFAOYSA-N 0 0 461.500 0.659 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)o1 ZINC000914683983 1067898122 /nfs/dbraw/zinc/89/81/22/1067898122.db2.gz QVMWAVRUXOXIGK-UHFFFAOYSA-N 0 0 450.455 0.536 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)o1 ZINC000914684011 1067898448 /nfs/dbraw/zinc/89/84/48/1067898448.db2.gz SOIWRRVQKSTEDA-UHFFFAOYSA-N 0 0 473.511 0.801 20 30 JCEDRN CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000914684066 1067898147 /nfs/dbraw/zinc/89/81/47/1067898147.db2.gz UUFLVDUCBTUBIV-UHFFFAOYSA-N 0 0 455.471 0.875 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(N)(=O)=O)ccc3Cl)CC2)o1 ZINC000914684082 1067898467 /nfs/dbraw/zinc/89/84/67/1067898467.db2.gz VQIGQHXQLODSAM-UHFFFAOYSA-N 0 0 467.891 0.661 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)o1 ZINC000914684130 1067898268 /nfs/dbraw/zinc/89/82/68/1067898268.db2.gz ZAWMNHQDZKYMFU-UHFFFAOYSA-N 0 0 467.891 0.661 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)o1 ZINC000914684474 1067898195 /nfs/dbraw/zinc/89/81/95/1067898195.db2.gz DXXDKAKHNGCJKN-UHFFFAOYSA-N 0 0 451.439 0.733 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)o1 ZINC000914684568 1067898506 /nfs/dbraw/zinc/89/85/06/1067898506.db2.gz KUUKPEJNCYHFHQ-UHFFFAOYSA-N 0 0 486.510 0.175 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)o1 ZINC000914684654 1067898741 /nfs/dbraw/zinc/89/87/41/1067898741.db2.gz MYGCHXMQGDNFNM-UHFFFAOYSA-N 0 0 461.500 0.611 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 ZINC000914684689 1067898645 /nfs/dbraw/zinc/89/86/45/1067898645.db2.gz PQPKTPGJOHUQCV-UHFFFAOYSA-N 0 0 475.527 0.642 20 30 JCEDRN COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1OC ZINC000914684749 1067898713 /nfs/dbraw/zinc/89/87/13/1067898713.db2.gz VJRACWFCNWJQQY-UHFFFAOYSA-N 0 0 471.470 0.494 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)o1 ZINC000914684795 1067898807 /nfs/dbraw/zinc/89/88/07/1067898807.db2.gz XBSBKBRWNVQLFW-CYBMUJFWSA-N 0 0 451.439 0.731 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)o1 ZINC000914684798 1067898666 /nfs/dbraw/zinc/89/86/66/1067898666.db2.gz XBSBKBRWNVQLFW-ZDUSSCGKSA-N 0 0 451.439 0.731 20 30 JCEDRN N#Cc1nc(N)n(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1C#N ZINC000914684959 1067898691 /nfs/dbraw/zinc/89/86/91/1067898691.db2.gz SILKBJFWXIKDSJ-OMCISZLKSA-N 0 0 481.519 0.955 20 30 JCEDRN N#Cc1nc(N)n(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1C#N ZINC000914684960 1067898836 /nfs/dbraw/zinc/89/88/36/1067898836.db2.gz SILKBJFWXIKDSJ-SOFYXZRVSA-N 0 0 481.519 0.955 20 30 JCEDRN CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 ZINC000914698113 1067899757 /nfs/dbraw/zinc/89/97/57/1067899757.db2.gz SSJSCKUYKFKESB-UHFFFAOYSA-N 0 0 478.600 0.952 20 30 JCEDRN Nc1nc(Cl)c(C=[NH+][N-]c2ccc(S(=O)(=O)NC3CC3)cn2)c(N2CCOCC2)n1 ZINC000914698366 1067900228 /nfs/dbraw/zinc/90/02/28/1067900228.db2.gz WMDRMIPBNCDFIM-UHFFFAOYSA-N 0 0 452.928 0.831 20 30 JCEDRN O=c1c(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)c(N2CCOCC2)nc2ccccn21 ZINC000914698400 1067900146 /nfs/dbraw/zinc/90/01/46/1067900146.db2.gz YAYCLJPVWZIVJY-UHFFFAOYSA-N 0 0 469.527 0.813 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000914756865 1067901918 /nfs/dbraw/zinc/90/19/18/1067901918.db2.gz CKSVKOSXHVVEPC-AWEZNQCLSA-N 0 0 486.510 0.620 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000914756866 1067902030 /nfs/dbraw/zinc/90/20/30/1067902030.db2.gz CKSVKOSXHVVEPC-CQSZACIVSA-N 0 0 486.510 0.620 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000914757068 1067902399 /nfs/dbraw/zinc/90/23/99/1067902399.db2.gz KNWZULNMDZXIGK-UHFFFAOYSA-N 0 0 454.468 0.952 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000914764804 1067903996 /nfs/dbraw/zinc/90/39/96/1067903996.db2.gz OQRSDFTTYMNDIW-HNNXBMFYSA-N 0 0 458.606 0.974 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000914764805 1067904045 /nfs/dbraw/zinc/90/40/45/1067904045.db2.gz OQRSDFTTYMNDIW-OAHLLOKOSA-N 0 0 458.606 0.974 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000914799711 1067907841 /nfs/dbraw/zinc/90/78/41/1067907841.db2.gz BOWXFLFSASRCMA-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN CC(C)(C)N1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000914808500 1067908623 /nfs/dbraw/zinc/90/86/23/1067908623.db2.gz UFUYBAMRIYQHAG-KRWDZBQOSA-N 0 0 476.555 0.581 20 30 JCEDRN CC(C)(C)N1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000914808502 1067908643 /nfs/dbraw/zinc/90/86/43/1067908643.db2.gz UFUYBAMRIYQHAG-QGZVFWFLSA-N 0 0 476.555 0.581 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000914819892 1067912161 /nfs/dbraw/zinc/91/21/61/1067912161.db2.gz YBMSXTBFOLPNDF-GOSISDBHSA-N 0 0 488.570 0.025 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000914819893 1067912234 /nfs/dbraw/zinc/91/22/34/1067912234.db2.gz YBMSXTBFOLPNDF-SFHVURJKSA-N 0 0 488.570 0.025 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000914819896 1067912197 /nfs/dbraw/zinc/91/21/97/1067912197.db2.gz YCPDQBIKJPYUFS-UHFFFAOYSA-N 0 0 483.573 0.753 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000914820457 1067912156 /nfs/dbraw/zinc/91/21/56/1067912156.db2.gz APHHPHBUKLTWLO-IBGZPJMESA-N 0 0 496.545 0.987 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000914820458 1067912240 /nfs/dbraw/zinc/91/22/40/1067912240.db2.gz APHHPHBUKLTWLO-LJQANCHMSA-N 0 0 496.545 0.987 20 30 JCEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1=O ZINC000914830156 1067909807 /nfs/dbraw/zinc/90/98/07/1067909807.db2.gz AIKMTVSZEWLDKK-AVYPCKFXSA-N 0 0 456.565 0.724 20 30 JCEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1=O ZINC000914830157 1067909720 /nfs/dbraw/zinc/90/97/20/1067909720.db2.gz AIKMTVSZEWLDKK-MDOVXXIYSA-N 0 0 456.565 0.724 20 30 JCEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1=O ZINC000914830158 1067909819 /nfs/dbraw/zinc/90/98/19/1067909819.db2.gz AIKMTVSZEWLDKK-SIFCLUCFSA-N 0 0 456.565 0.724 20 30 JCEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1=O ZINC000914830159 1067909832 /nfs/dbraw/zinc/90/98/32/1067909832.db2.gz AIKMTVSZEWLDKK-SXGZJXTBSA-N 0 0 456.565 0.724 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000914850186 1067914237 /nfs/dbraw/zinc/91/42/37/1067914237.db2.gz HSGLWHSLUKIWFQ-AWEZNQCLSA-N 0 0 460.516 0.238 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000914850189 1067914307 /nfs/dbraw/zinc/91/43/07/1067914307.db2.gz HSGLWHSLUKIWFQ-CQSZACIVSA-N 0 0 460.516 0.238 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 ZINC000914859229 1067916611 /nfs/dbraw/zinc/91/66/11/1067916611.db2.gz JGJZSLPBIDAQFR-UHFFFAOYSA-N 0 0 470.555 0.795 20 30 JCEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCNc2ccc(C#N)cn2)c1 ZINC000914859339 1067916697 /nfs/dbraw/zinc/91/66/97/1067916697.db2.gz PFPVPUJFNFTSQH-UHFFFAOYSA-N 0 0 458.544 0.942 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000914859602 1067917058 /nfs/dbraw/zinc/91/70/58/1067917058.db2.gz VDZCSIWYXNMJSD-KRWDZBQOSA-N 0 0 465.557 0.263 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000914859603 1067916965 /nfs/dbraw/zinc/91/69/65/1067916965.db2.gz VDZCSIWYXNMJSD-QGZVFWFLSA-N 0 0 465.557 0.263 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCNc2ccc(C#N)cn2)cc1 ZINC000914859605 1067916939 /nfs/dbraw/zinc/91/69/39/1067916939.db2.gz VIBXPTZZWGUXSM-UHFFFAOYSA-N 0 0 458.544 0.942 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000914898344 1067922852 /nfs/dbraw/zinc/92/28/52/1067922852.db2.gz OANPCHKOSZLSOL-UHFFFAOYSA-N 0 0 455.537 0.410 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000914901487 1067921155 /nfs/dbraw/zinc/92/11/55/1067921155.db2.gz UVZALCCHDNWTRN-UHFFFAOYSA-N 0 0 498.565 0.641 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cn(Cc3ccccc3)nn2)CC1 ZINC000914902123 1067920968 /nfs/dbraw/zinc/92/09/68/1067920968.db2.gz GLBHQAKRPNTQCB-UHFFFAOYSA-N 0 0 494.533 0.888 20 30 JCEDRN Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1-n1cnnn1 ZINC000914914902 1067925695 /nfs/dbraw/zinc/92/56/95/1067925695.db2.gz PKNKOTOQKNQYEC-UHFFFAOYSA-N 0 0 495.521 0.532 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000914925985 1067926812 /nfs/dbraw/zinc/92/68/12/1067926812.db2.gz BJFCGNWBFQOYSV-UHFFFAOYSA-N 0 0 469.479 0.830 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000914942952 1067930623 /nfs/dbraw/zinc/93/06/23/1067930623.db2.gz PGRBQKUCIXONNP-UHFFFAOYSA-N 0 0 480.506 0.829 20 30 JCEDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000914957547 1067933420 /nfs/dbraw/zinc/93/34/20/1067933420.db2.gz YYMQWQCNTMXNTA-UHFFFAOYSA-N 0 0 498.540 0.798 20 30 JCEDRN CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)c1cccs1 ZINC000914960500 1067934027 /nfs/dbraw/zinc/93/40/27/1067934027.db2.gz KRKFICKPECYPDV-UHFFFAOYSA-N 0 0 490.563 0.768 20 30 JCEDRN CN(C)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000914964392 1067935025 /nfs/dbraw/zinc/93/50/25/1067935025.db2.gz KRRROXHGJWJSTB-UHFFFAOYSA-N 0 0 457.512 0.709 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000914994549 1067939115 /nfs/dbraw/zinc/93/91/15/1067939115.db2.gz NYELGXDMEZGGGB-UHFFFAOYSA-N 0 0 456.484 0.980 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000914994891 1067939491 /nfs/dbraw/zinc/93/94/91/1067939491.db2.gz RATWNNHGNFWEGO-UHFFFAOYSA-N 0 0 464.486 0.531 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000914994934 1067939519 /nfs/dbraw/zinc/93/95/19/1067939519.db2.gz SMGXPLSWTUYPKN-UHFFFAOYSA-N 0 0 481.513 0.675 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000914994955 1067939316 /nfs/dbraw/zinc/93/93/16/1067939316.db2.gz AANXCJLYCGZXSM-UHFFFAOYSA-N 0 0 450.459 0.141 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000914994959 1067939342 /nfs/dbraw/zinc/93/93/42/1067939342.db2.gz AGWIYUHMVZESAC-UHFFFAOYSA-N 0 0 484.538 0.700 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000914995100 1067939469 /nfs/dbraw/zinc/93/94/69/1067939469.db2.gz FTTCHHAHPSNPFU-UHFFFAOYSA-N 0 0 482.522 0.930 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000914996139 1067939874 /nfs/dbraw/zinc/93/98/74/1067939874.db2.gz VUHBUFJELXDYKY-UHFFFAOYSA-N 0 0 456.484 0.980 20 30 JCEDRN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000915016895 1067944012 /nfs/dbraw/zinc/94/40/12/1067944012.db2.gz YFEMWBAQNVWMQC-GOSISDBHSA-N 0 0 490.582 0.971 20 30 JCEDRN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000915016896 1067944099 /nfs/dbraw/zinc/94/40/99/1067944099.db2.gz YFEMWBAQNVWMQC-SFHVURJKSA-N 0 0 490.582 0.971 20 30 JCEDRN CCOC(=O)NCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000915026392 1067946825 /nfs/dbraw/zinc/94/68/25/1067946825.db2.gz YMMCSJYDHFQICJ-UHFFFAOYSA-N 0 0 452.489 0.071 20 30 JCEDRN CCOC(=O)N[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C ZINC000915027364 1067947890 /nfs/dbraw/zinc/94/78/90/1067947890.db2.gz CATVOQJHSSVVPO-IBGZPJMESA-N 0 0 480.543 0.705 20 30 JCEDRN CCOC(=O)N[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C ZINC000915027365 1067947905 /nfs/dbraw/zinc/94/79/05/1067947905.db2.gz CATVOQJHSSVVPO-LJQANCHMSA-N 0 0 480.543 0.705 20 30 JCEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)nc1C ZINC000915057443 1067950846 /nfs/dbraw/zinc/95/08/46/1067950846.db2.gz ANFQZABBXKRTCD-UHFFFAOYSA-N 0 0 454.563 0.835 20 30 JCEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)n1 ZINC000915057857 1067950792 /nfs/dbraw/zinc/95/07/92/1067950792.db2.gz JAFKALFDOFNJFX-UHFFFAOYSA-N 0 0 454.563 0.451 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000915092906 1067953889 /nfs/dbraw/zinc/95/38/89/1067953889.db2.gz CIQIDPAVXHCDAH-UHFFFAOYSA-N 0 0 450.542 0.728 20 30 JCEDRN CNC(=O)CC1SC(=Nc2cccc(NC(C)=O)c2)N(CCCN(C)S(C)(=O)=O)C1=O ZINC000915112016 1067954235 /nfs/dbraw/zinc/95/42/35/1067954235.db2.gz TWSNCWSPKYBNBA-INIZCTEOSA-N 0 0 469.589 0.994 20 30 JCEDRN CNC(=O)CC1SC(=Nc2cccc(NC(C)=O)c2)N(CCCN(C)S(C)(=O)=O)C1=O ZINC000915112017 1067954216 /nfs/dbraw/zinc/95/42/16/1067954216.db2.gz TWSNCWSPKYBNBA-MRXNPFEDSA-N 0 0 469.589 0.994 20 30 JCEDRN Cc1cc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n2ncnc2n1 ZINC000915194099 1067957507 /nfs/dbraw/zinc/95/75/07/1067957507.db2.gz WWUIJKXMQOVZNV-UHFFFAOYSA-N 0 0 468.543 0.600 20 30 JCEDRN Cn1cc(/C=C\C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(=O)n(C)c1=O ZINC000915194658 1067957617 /nfs/dbraw/zinc/95/76/17/1067957617.db2.gz AIFYHHXBZZFUMA-YHYXMXQVSA-N 0 0 451.462 0.625 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000915200838 1067958425 /nfs/dbraw/zinc/95/84/25/1067958425.db2.gz MGVQRRXIQQKNMN-KRWDZBQOSA-N 0 0 471.539 0.994 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000915200839 1067958528 /nfs/dbraw/zinc/95/85/28/1067958528.db2.gz MGVQRRXIQQKNMN-QGZVFWFLSA-N 0 0 471.539 0.994 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1=O ZINC000915206373 1067959677 /nfs/dbraw/zinc/95/96/77/1067959677.db2.gz URBSKCYAOXINRN-UHFFFAOYSA-N 0 0 479.534 0.083 20 30 JCEDRN C=CCn1c(-c2ccncc2)nn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1=S ZINC000915208613 1067960038 /nfs/dbraw/zinc/96/00/38/1067960038.db2.gz OCSFIZGJKUGVPN-UHFFFAOYSA-N 0 0 478.648 0.729 20 30 JCEDRN C=CCn1c(-c2cccnc2)nn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1=S ZINC000915208739 1067960669 /nfs/dbraw/zinc/96/06/69/1067960669.db2.gz RYGKAMATCARAEH-UHFFFAOYSA-N 0 0 478.648 0.729 20 30 JCEDRN C=CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1=S ZINC000915209567 1067960954 /nfs/dbraw/zinc/96/09/54/1067960954.db2.gz ZDCYAOJEIIGGDP-UHFFFAOYSA-N 0 0 467.621 0.927 20 30 JCEDRN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(S(N)(=O)=O)CC1)CCCC2 ZINC000915217032 1067960922 /nfs/dbraw/zinc/96/09/22/1067960922.db2.gz VPQIGVQDUWIFJC-HNNXBMFYSA-N 0 0 450.565 0.177 20 30 JCEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(S(N)(=O)=O)CC1)CCCC2 ZINC000915217033 1067960933 /nfs/dbraw/zinc/96/09/33/1067960933.db2.gz VPQIGVQDUWIFJC-OAHLLOKOSA-N 0 0 450.565 0.177 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000915249754 1067966519 /nfs/dbraw/zinc/96/65/19/1067966519.db2.gz LKBANBUPYOQMAN-JLTOFOAXSA-N 0 0 467.500 0.961 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000915249755 1067966483 /nfs/dbraw/zinc/96/64/83/1067966483.db2.gz LKBANBUPYOQMAN-VBKZILBWSA-N 0 0 467.500 0.961 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000915249756 1067966446 /nfs/dbraw/zinc/96/64/46/1067966446.db2.gz LKBANBUPYOQMAN-VLIAUNLRSA-N 0 0 467.500 0.961 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000915249757 1067966522 /nfs/dbraw/zinc/96/65/22/1067966522.db2.gz LKBANBUPYOQMAN-XOBRGWDASA-N 0 0 467.500 0.961 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)N(C)C(C)(C)C#N)o1 ZINC000915250139 1067966453 /nfs/dbraw/zinc/96/64/53/1067966453.db2.gz RIJAAQOGTKYGSF-CYBMUJFWSA-N 0 0 455.489 0.913 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N(C)C(C)(C)C#N)o1 ZINC000915250140 1067966500 /nfs/dbraw/zinc/96/65/00/1067966500.db2.gz RIJAAQOGTKYGSF-ZDUSSCGKSA-N 0 0 455.489 0.913 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000915250413 1067966801 /nfs/dbraw/zinc/96/68/01/1067966801.db2.gz VDWZUSTWNOGVNB-GFCCVEGCSA-N 0 0 457.461 0.164 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000915250414 1067966855 /nfs/dbraw/zinc/96/68/55/1067966855.db2.gz VDWZUSTWNOGVNB-LBPRGKRZSA-N 0 0 457.461 0.164 20 30 JCEDRN C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OC ZINC000915269098 1067967533 /nfs/dbraw/zinc/96/75/33/1067967533.db2.gz KOBCYUPOZZBZDW-SOFGYWHQSA-N 0 0 464.588 0.910 20 30 JCEDRN C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OC ZINC000915269099 1067967681 /nfs/dbraw/zinc/96/76/81/1067967681.db2.gz KOBCYUPOZZBZDW-VURMDHGXSA-N 0 0 464.588 0.910 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)ccc1F ZINC000915286336 1067968331 /nfs/dbraw/zinc/96/83/31/1067968331.db2.gz DGKSVEAVWGHDTJ-UHFFFAOYSA-N 0 0 482.559 0.900 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000915288551 1067969208 /nfs/dbraw/zinc/96/92/08/1067969208.db2.gz UIAHTIYJLDPYTJ-UHFFFAOYSA-N 0 0 460.487 0.614 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000915290677 1067969226 /nfs/dbraw/zinc/96/92/26/1067969226.db2.gz DLIMMXNNUOLGKY-UHFFFAOYSA-N 0 0 462.553 0.208 20 30 JCEDRN NS(=O)(=O)c1ccc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000915290743 1067969298 /nfs/dbraw/zinc/96/92/98/1067969298.db2.gz NDFSSNMDZOMRSP-UHFFFAOYSA-N 0 0 477.568 0.111 20 30 JCEDRN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000915290767 1067969302 /nfs/dbraw/zinc/96/93/02/1067969302.db2.gz PKJVRCHUNCGFRK-UHFFFAOYSA-N 0 0 493.586 0.749 20 30 JCEDRN NS(=O)(=O)c1ccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000915290774 1067969310 /nfs/dbraw/zinc/96/93/10/1067969310.db2.gz PYNRRMRCCCTWQF-UHFFFAOYSA-N 0 0 491.595 0.502 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000915290843 1067969186 /nfs/dbraw/zinc/96/91/86/1067969186.db2.gz ZASNOVFAXOZGDX-UHFFFAOYSA-N 0 0 462.553 0.208 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000915296367 1067970721 /nfs/dbraw/zinc/97/07/21/1067970721.db2.gz HUYKKWUOSQJIGI-HNNXBMFYSA-N 0 0 484.600 0.095 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000915296368 1067971093 /nfs/dbraw/zinc/97/10/93/1067971093.db2.gz HUYKKWUOSQJIGI-OAHLLOKOSA-N 0 0 484.600 0.095 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000915298791 1067972458 /nfs/dbraw/zinc/97/24/58/1067972458.db2.gz WIZNIWKHMHBEAU-UHFFFAOYSA-N 0 0 463.497 0.679 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)o1 ZINC000915364028 1067976555 /nfs/dbraw/zinc/97/65/55/1067976555.db2.gz SHJRMUTXWCLURE-GOSISDBHSA-N 0 0 483.460 0.306 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)o1 ZINC000915364031 1067976490 /nfs/dbraw/zinc/97/64/90/1067976490.db2.gz SHJRMUTXWCLURE-SFHVURJKSA-N 0 0 483.460 0.306 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC000915364233 1067976385 /nfs/dbraw/zinc/97/63/85/1067976385.db2.gz PELIICFKIPMTAQ-UHFFFAOYSA-N 0 0 475.527 0.724 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)o1 ZINC000915365330 1067976425 /nfs/dbraw/zinc/97/64/25/1067976425.db2.gz HTWUSPNDZPIPNO-HOTGVXAUSA-N 0 0 457.487 0.612 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)o1 ZINC000915365331 1067976622 /nfs/dbraw/zinc/97/66/22/1067976622.db2.gz HTWUSPNDZPIPNO-HZPDHXFCSA-N 0 0 457.487 0.612 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)o1 ZINC000915365332 1067977073 /nfs/dbraw/zinc/97/70/73/1067977073.db2.gz HTWUSPNDZPIPNO-IYBDPMFKSA-N 0 0 457.487 0.612 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000915367041 1067977107 /nfs/dbraw/zinc/97/71/07/1067977107.db2.gz LEJGKJOHECWRIL-UHFFFAOYSA-N 0 0 453.498 0.957 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC000915367530 1067977007 /nfs/dbraw/zinc/97/70/07/1067977007.db2.gz BWIKFBRPCQWXSY-UHFFFAOYSA-N 0 0 461.500 0.333 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)o1 ZINC000915368058 1067977124 /nfs/dbraw/zinc/97/71/24/1067977124.db2.gz AASXDLVWVQFQRP-UHFFFAOYSA-N 0 0 461.500 0.611 20 30 JCEDRN CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000915368994 1067977149 /nfs/dbraw/zinc/97/71/49/1067977149.db2.gz UILGJTHQOINAJC-UHFFFAOYSA-N 0 0 489.510 0.228 20 30 JCEDRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000915369057 1067977117 /nfs/dbraw/zinc/97/71/17/1067977117.db2.gz VMTMGAQCXHWVLA-AWEZNQCLSA-N 0 0 491.526 0.422 20 30 JCEDRN CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915369212 1067977155 /nfs/dbraw/zinc/97/71/55/1067977155.db2.gz XRGSNXSVPTYVMB-UHFFFAOYSA-N 0 0 475.527 0.967 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC000915369253 1067977018 /nfs/dbraw/zinc/97/70/18/1067977018.db2.gz WITLFXGFQJIHQV-HNNXBMFYSA-N 0 0 475.527 0.722 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)o1 ZINC000915369615 1067977084 /nfs/dbraw/zinc/97/70/84/1067977084.db2.gz FYAJMBKKEFFJHY-UHFFFAOYSA-N 0 0 472.502 0.547 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)o1 ZINC000915370990 1067977078 /nfs/dbraw/zinc/97/70/78/1067977078.db2.gz YZVAEKJPAOBHON-UHFFFAOYSA-N 0 0 458.475 0.301 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000915371785 1067977034 /nfs/dbraw/zinc/97/70/34/1067977034.db2.gz PAKJPFBDJUCYSI-UHFFFAOYSA-N 0 0 453.498 0.846 20 30 JCEDRN CC(=O)N1C[C@@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)Oc2ccccc21 ZINC000915372315 1067977094 /nfs/dbraw/zinc/97/70/94/1067977094.db2.gz IAZJTGMBHCRFJY-IBGZPJMESA-N 0 0 453.455 0.861 20 30 JCEDRN CC(=O)N1C[C@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)Oc2ccccc21 ZINC000915372316 1067977066 /nfs/dbraw/zinc/97/70/66/1067977066.db2.gz IAZJTGMBHCRFJY-LJQANCHMSA-N 0 0 453.455 0.861 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)o1 ZINC000915373053 1067977099 /nfs/dbraw/zinc/97/70/99/1067977099.db2.gz USVMBULGQMFNMA-UHFFFAOYSA-N 0 0 472.502 0.643 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)o1 ZINC000915373228 1067977576 /nfs/dbraw/zinc/97/75/76/1067977576.db2.gz XGZHDHDVFOHQLM-UHFFFAOYSA-N 0 0 452.427 0.563 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3c(C)nc4ncnn4c3C)CC2)o1 ZINC000915373249 1067977500 /nfs/dbraw/zinc/97/75/00/1067977500.db2.gz XWARHQGRPXRIKT-UHFFFAOYSA-N 0 0 452.475 0.734 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3ccccc3)CC2)o1 ZINC000915373795 1067976639 /nfs/dbraw/zinc/97/66/39/1067976639.db2.gz GAAJRSNUEVKOOX-UHFFFAOYSA-N 0 0 461.500 0.415 20 30 JCEDRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000915373933 1067976631 /nfs/dbraw/zinc/97/66/31/1067976631.db2.gz PHQJQZKWBSNWCA-UHFFFAOYSA-N 0 0 471.470 0.915 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)o1 ZINC000915374108 1067976447 /nfs/dbraw/zinc/97/64/47/1067976447.db2.gz OLEIYHOPLAPXEF-UHFFFAOYSA-N 0 0 473.511 0.801 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3cnc4ccccc4c3=O)CC2)o1 ZINC000915374473 1067979928 /nfs/dbraw/zinc/97/99/28/1067979928.db2.gz LSPFLKQCCRSOQK-UHFFFAOYSA-N 0 0 450.455 0.847 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)CC2)o1 ZINC000915374594 1067979797 /nfs/dbraw/zinc/97/97/97/1067979797.db2.gz NAVDKELWSGJJMR-UHFFFAOYSA-N 0 0 452.427 0.162 20 30 JCEDRN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000915374783 1067979773 /nfs/dbraw/zinc/97/97/73/1067979773.db2.gz XKWIDEUKUOSVMH-INIZCTEOSA-N 0 0 453.521 0.251 20 30 JCEDRN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000915374784 1067979907 /nfs/dbraw/zinc/97/99/07/1067979907.db2.gz XKWIDEUKUOSVMH-MRXNPFEDSA-N 0 0 453.521 0.251 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3nnc(-c4ccc(C)cc4)n3)CC2)o1 ZINC000915374818 1067979832 /nfs/dbraw/zinc/97/98/32/1067979832.db2.gz YXFHTRFOPJOYSF-UHFFFAOYSA-N 0 0 450.459 0.709 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)o1 ZINC000915375220 1067979886 /nfs/dbraw/zinc/97/98/86/1067979886.db2.gz GPXKESGQZOMOOC-GOSISDBHSA-N 0 0 465.470 0.167 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)o1 ZINC000915375224 1067979862 /nfs/dbraw/zinc/97/98/62/1067979862.db2.gz GPXKESGQZOMOOC-SFHVURJKSA-N 0 0 465.470 0.167 20 30 JCEDRN Cc1cc(NC(=O)CSCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)no1 ZINC000915375309 1067979948 /nfs/dbraw/zinc/97/99/48/1067979948.db2.gz JXHKMFZWBBOYDA-UHFFFAOYSA-N 0 0 462.488 0.715 20 30 JCEDRN COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000915375330 1067979937 /nfs/dbraw/zinc/97/99/37/1067979937.db2.gz KLHQUCDWQAJQEZ-UHFFFAOYSA-N 0 0 463.472 0.016 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)o1 ZINC000915375910 1067979822 /nfs/dbraw/zinc/97/98/22/1067979822.db2.gz DKJIDCDPVBAVRB-UHFFFAOYSA-N 0 0 451.436 0.147 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000915375945 1067979804 /nfs/dbraw/zinc/97/98/04/1067979804.db2.gz AQLREYFOKFQRTD-UHFFFAOYSA-N 0 0 481.918 0.678 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)o1 ZINC000915376057 1067979914 /nfs/dbraw/zinc/97/99/14/1067979914.db2.gz HINIBDQGYYJKMR-INIZCTEOSA-N 0 0 495.492 0.871 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)o1 ZINC000915376058 1067979851 /nfs/dbraw/zinc/97/98/51/1067979851.db2.gz HINIBDQGYYJKMR-MRXNPFEDSA-N 0 0 495.492 0.871 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3cc(C)ccc3C)CC2)o1 ZINC000915376210 1067979876 /nfs/dbraw/zinc/97/98/76/1067979876.db2.gz JJHDHPCMQOPMIN-UHFFFAOYSA-N 0 0 475.527 0.642 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Br)o3)CC2)o1 ZINC000915376494 1067979813 /nfs/dbraw/zinc/97/98/13/1067979813.db2.gz CAYODWMZLJARDM-UHFFFAOYSA-N 0 0 480.275 0.832 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3F)CC2)o1 ZINC000915376598 1067979920 /nfs/dbraw/zinc/97/99/20/1067979920.db2.gz GBXHKHFTHACQRN-UHFFFAOYSA-N 0 0 465.463 0.164 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CC2)o1 ZINC000915376706 1067977647 /nfs/dbraw/zinc/97/76/47/1067977647.db2.gz GNNZUOXTUHJTDA-UHFFFAOYSA-N 0 0 480.481 0.812 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)o1 ZINC000915376822 1067977621 /nfs/dbraw/zinc/97/76/21/1067977621.db2.gz PJQNBPLCGBSFAG-BPUTZDHNSA-N 0 0 457.487 0.610 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)o1 ZINC000915376825 1067977627 /nfs/dbraw/zinc/97/76/27/1067977627.db2.gz PJQNBPLCGBSFAG-CWRNSKLLSA-N 0 0 457.487 0.610 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)o1 ZINC000915376828 1067977602 /nfs/dbraw/zinc/97/76/02/1067977602.db2.gz PJQNBPLCGBSFAG-NUEKZKHPSA-N 0 0 457.487 0.610 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4c(nc5ccccn5c4=O)n3C)CC2)o1 ZINC000915376986 1067977654 /nfs/dbraw/zinc/97/76/54/1067977654.db2.gz JVTPVKVHMNQGDM-UHFFFAOYSA-N 0 0 475.465 0.860 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)o1 ZINC000915377055 1067977634 /nfs/dbraw/zinc/97/76/34/1067977634.db2.gz NKIARFVMTLETKK-UHFFFAOYSA-N 0 0 462.466 0.965 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000915377202 1067977532 /nfs/dbraw/zinc/97/75/32/1067977532.db2.gz VJJJKLZRZUUNER-UHFFFAOYSA-N 0 0 473.511 0.825 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)o1 ZINC000915377212 1067977541 /nfs/dbraw/zinc/97/75/41/1067977541.db2.gz VPUUKGYCWMZPNN-UHFFFAOYSA-N 0 0 497.480 0.693 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)o1 ZINC000915377356 1067977593 /nfs/dbraw/zinc/97/75/93/1067977593.db2.gz LTJHAPUMZYSTSR-UHFFFAOYSA-N 0 0 458.475 0.301 20 30 JCEDRN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O)CCCC2 ZINC000915377525 1067977572 /nfs/dbraw/zinc/97/75/72/1067977572.db2.gz OFEJXQRHCGWYLQ-BBRMVZONSA-N 0 0 457.487 0.887 20 30 JCEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O)CCCC2 ZINC000915377526 1067977551 /nfs/dbraw/zinc/97/75/51/1067977551.db2.gz OFEJXQRHCGWYLQ-CJNGLKHVSA-N 0 0 457.487 0.887 20 30 JCEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CC[C@H]1NC(=O)NC1=O)CCCC2 ZINC000915377527 1067978058 /nfs/dbraw/zinc/97/80/58/1067978058.db2.gz OFEJXQRHCGWYLQ-CZUORRHYSA-N 0 0 457.487 0.887 20 30 JCEDRN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CC[C@H]1NC(=O)NC1=O)CCCC2 ZINC000915377528 1067978101 /nfs/dbraw/zinc/97/81/01/1067978101.db2.gz OFEJXQRHCGWYLQ-XJKSGUPXSA-N 0 0 457.487 0.887 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)o1 ZINC000915377775 1067977518 /nfs/dbraw/zinc/97/75/18/1067977518.db2.gz FMAXMOMJNNPUDR-FPTDNZKUSA-N 0 0 472.502 0.547 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)o1 ZINC000915377778 1067977641 /nfs/dbraw/zinc/97/76/41/1067977641.db2.gz FMAXMOMJNNPUDR-JLCFBVMHSA-N 0 0 472.502 0.547 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)o1 ZINC000915377781 1067977661 /nfs/dbraw/zinc/97/76/61/1067977661.db2.gz FMAXMOMJNNPUDR-PEBXRYMYSA-N 0 0 472.502 0.547 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)o1 ZINC000915377783 1067977562 /nfs/dbraw/zinc/97/75/62/1067977562.db2.gz FMAXMOMJNNPUDR-RCDICMHDSA-N 0 0 472.502 0.547 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)o1 ZINC000915377921 1067977953 /nfs/dbraw/zinc/97/79/53/1067977953.db2.gz HTULLJVBPDPYFW-DEOSSOPVSA-N 0 0 492.492 0.440 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)o1 ZINC000915377931 1067978043 /nfs/dbraw/zinc/97/80/43/1067978043.db2.gz HTULLJVBPDPYFW-XMMPIXPASA-N 0 0 492.492 0.440 20 30 JCEDRN CNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000915378193 1067978094 /nfs/dbraw/zinc/97/80/94/1067978094.db2.gz FRYTVIIISFXVBU-UHFFFAOYSA-N 0 0 475.527 0.587 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cccc(C(F)(F)F)c3=O)CC2)o1 ZINC000915378258 1067978008 /nfs/dbraw/zinc/97/80/08/1067978008.db2.gz NBEIMKFFQPPGPX-UHFFFAOYSA-N 0 0 453.377 0.927 20 30 JCEDRN CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915378393 1067978126 /nfs/dbraw/zinc/97/81/26/1067978126.db2.gz LAMHJFFFHIVAMH-UHFFFAOYSA-N 0 0 461.500 0.659 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915378407 1067978073 /nfs/dbraw/zinc/97/80/73/1067978073.db2.gz LIGRKFJOZGUALJ-UHFFFAOYSA-N 0 0 473.511 0.825 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1S(=O)(=O)N(C)C ZINC000915378758 1067978068 /nfs/dbraw/zinc/97/80/68/1067978068.db2.gz QYWTXVAMYJHSGO-UHFFFAOYSA-N 0 0 491.526 0.619 20 30 JCEDRN CNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccc1OC ZINC000915378769 1067977964 /nfs/dbraw/zinc/97/79/64/1067977964.db2.gz RAZXZOCYBDJUDN-UHFFFAOYSA-N 0 0 477.499 0.277 20 30 JCEDRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915378845 1067978148 /nfs/dbraw/zinc/97/81/48/1067978148.db2.gz SQJHZLMUYNYPPF-UHFFFAOYSA-N 0 0 481.918 0.922 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3cnc4sccc4c3=O)CC2)o1 ZINC000915379132 1067977990 /nfs/dbraw/zinc/97/79/90/1067977990.db2.gz YGWSZKJOZPFFGG-UHFFFAOYSA-N 0 0 456.484 0.908 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1S(N)(=O)=O ZINC000915379179 1067978049 /nfs/dbraw/zinc/97/80/49/1067978049.db2.gz XKFLGFWXVGAYJT-UHFFFAOYSA-N 0 0 463.472 0.016 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)CC2)o1 ZINC000915379223 1067978033 /nfs/dbraw/zinc/97/80/33/1067978033.db2.gz ZKXHKHWPRIMGQJ-UHFFFAOYSA-N 0 0 479.490 0.750 20 30 JCEDRN CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915379230 1067978140 /nfs/dbraw/zinc/97/81/40/1067978140.db2.gz ZWMXJOUVJIGSLD-UHFFFAOYSA-N 0 0 465.463 0.408 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)o1 ZINC000915379245 1067978110 /nfs/dbraw/zinc/97/81/10/1067978110.db2.gz NSAGMCROMGNFGO-UHFFFAOYSA-N 0 0 461.500 0.327 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)CC2)o1 ZINC000915379252 1067978119 /nfs/dbraw/zinc/97/81/19/1067978119.db2.gz OHIZJVVLGWJEPC-UHFFFAOYSA-N 0 0 461.500 0.625 20 30 JCEDRN CCS(=O)(=O)N[C@@H](CCSC)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000915379292 1067977979 /nfs/dbraw/zinc/97/79/79/1067977979.db2.gz REGUFXIILQSGNV-AWEZNQCLSA-N 0 0 473.577 0.108 20 30 JCEDRN CCS(=O)(=O)N[C@H](CCSC)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000915379293 1067978024 /nfs/dbraw/zinc/97/80/24/1067978024.db2.gz REGUFXIILQSGNV-CQSZACIVSA-N 0 0 473.577 0.108 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3ccc(Cl)nc3)CC2)o1 ZINC000915379400 1067978553 /nfs/dbraw/zinc/97/85/53/1067978553.db2.gz RUMQKYFDSILJBL-UHFFFAOYSA-N 0 0 496.933 0.464 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3cccs3)CC2)o1 ZINC000915379477 1067978534 /nfs/dbraw/zinc/97/85/34/1067978534.db2.gz AJEGDQYYRWOKQI-UHFFFAOYSA-N 0 0 467.529 0.477 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)o1 ZINC000915379675 1067978501 /nfs/dbraw/zinc/97/85/01/1067978501.db2.gz LNVIDTPNHJFSFY-UHFFFAOYSA-N 0 0 473.511 0.900 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)c4ccc(C)cc4C3=O)CC2)o1 ZINC000915380125 1067978550 /nfs/dbraw/zinc/97/85/50/1067978550.db2.gz INLBZZMEXLOXLP-UHFFFAOYSA-N 0 0 451.439 0.651 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3csc(N4CCCC4=O)n3)CC2)o1 ZINC000915380282 1067978539 /nfs/dbraw/zinc/97/85/39/1067978539.db2.gz BDDPJVSJDNFYMT-UHFFFAOYSA-N 0 0 458.500 0.873 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3nc4ccccc4c(=O)n3C)CC2)o1 ZINC000915380333 1067978496 /nfs/dbraw/zinc/97/84/96/1067978496.db2.gz YEXZXTAJHQSWOE-UHFFFAOYSA-N 0 0 464.482 0.926 20 30 JCEDRN CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000915380452 1067978507 /nfs/dbraw/zinc/97/85/07/1067978507.db2.gz FJPUFUQPHNYOJH-UHFFFAOYSA-N 0 0 477.499 0.542 20 30 JCEDRN CCS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000915380546 1067978593 /nfs/dbraw/zinc/97/85/93/1067978593.db2.gz HPFLOQSLNYSSBY-UHFFFAOYSA-N 0 0 453.521 0.108 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3c4ccccc4OCCC3=O)CC2)o1 ZINC000915380601 1067978584 /nfs/dbraw/zinc/97/85/84/1067978584.db2.gz JLVZDWFHDDTWIE-UHFFFAOYSA-N 0 0 453.455 0.862 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)CC2)o1 ZINC000915380732 1067978566 /nfs/dbraw/zinc/97/85/66/1067978566.db2.gz AQIQONRXWSRIMM-UHFFFAOYSA-N 0 0 486.510 0.127 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)COc4ccccc43)CC2)o1 ZINC000915380745 1067978524 /nfs/dbraw/zinc/97/85/24/1067978524.db2.gz BWSVORMIBBOQIA-UHFFFAOYSA-N 0 0 453.455 0.862 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)CC2)o1 ZINC000915380901 1067978512 /nfs/dbraw/zinc/97/85/12/1067978512.db2.gz XEQUWPWRXWFLHG-ZDUSSCGKSA-N 0 0 479.490 0.553 20 30 JCEDRN CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915381040 1067978544 /nfs/dbraw/zinc/97/85/44/1067978544.db2.gz KBHBYVZEIONFML-UHFFFAOYSA-N 0 0 477.499 0.542 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)o1 ZINC000915381069 1067978576 /nfs/dbraw/zinc/97/85/76/1067978576.db2.gz LRTJZIIVXVZHLM-UHFFFAOYSA-N 0 0 470.417 0.703 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)CC2)o1 ZINC000915381181 1067978559 /nfs/dbraw/zinc/97/85/59/1067978559.db2.gz MFRPHWLFPBWRCV-UHFFFAOYSA-N 0 0 473.511 0.682 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccccc3OCC(=O)N(C)C)CC2)o1 ZINC000915381472 1067978613 /nfs/dbraw/zinc/97/86/13/1067978613.db2.gz YMHCNNWYUNZAHP-UHFFFAOYSA-N 0 0 455.471 0.827 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cnc4c(C)cccc4c3=O)CC2)o1 ZINC000915381645 1067978489 /nfs/dbraw/zinc/97/84/89/1067978489.db2.gz CIBBDLSGDMLOIP-UHFFFAOYSA-N 0 0 450.455 0.765 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3nnc4ccccc4c3=O)CC2)o1 ZINC000915381897 1067978933 /nfs/dbraw/zinc/97/89/33/1067978933.db2.gz LIQSTZZZMQENSN-UHFFFAOYSA-N 0 0 451.443 0.242 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915381941 1067978930 /nfs/dbraw/zinc/97/89/30/1067978930.db2.gz NXYUWUOPVMDCGL-UHFFFAOYSA-N 0 0 471.495 0.272 20 30 JCEDRN COc1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccc1OCC(N)=O ZINC000915381954 1067978823 /nfs/dbraw/zinc/97/88/23/1067978823.db2.gz FDGCJAXRLTVRMS-UHFFFAOYSA-N 0 0 457.443 0.233 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CCNS(C)(=O)=O)s3)CC2)o1 ZINC000915382087 1067978956 /nfs/dbraw/zinc/97/89/56/1067978956.db2.gz QYDJHSONOPDLMU-UHFFFAOYSA-N 0 0 481.556 0.514 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)o1 ZINC000915382245 1067978848 /nfs/dbraw/zinc/97/88/48/1067978848.db2.gz MWAKDZZADUNKAF-UHFFFAOYSA-N 0 0 492.492 0.118 20 30 JCEDRN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n(C)c1 ZINC000915382308 1067978942 /nfs/dbraw/zinc/97/89/42/1067978942.db2.gz XBMNSFDVRIPVNT-UHFFFAOYSA-N 0 0 492.558 0.729 20 30 JCEDRN CN1CC(=O)N(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1=O ZINC000915382495 1067978953 /nfs/dbraw/zinc/97/89/53/1067978953.db2.gz PPAJWPQILGHIAG-AWEZNQCLSA-N 0 0 457.487 0.793 20 30 JCEDRN CN1CC(=O)N(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1=O ZINC000915382496 1067978908 /nfs/dbraw/zinc/97/89/08/1067978908.db2.gz PPAJWPQILGHIAG-CQSZACIVSA-N 0 0 457.487 0.793 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CCNS(C)(=O)=O)cc3)CC2)o1 ZINC000915382557 1067979293 /nfs/dbraw/zinc/97/92/93/1067979293.db2.gz YXEYWHAZTTZKLH-UHFFFAOYSA-N 0 0 475.527 0.452 20 30 JCEDRN CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1=O ZINC000915382742 1067979425 /nfs/dbraw/zinc/97/94/25/1067979425.db2.gz XEVZUUAVBPJGST-UHFFFAOYSA-N 0 0 480.481 0.243 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000915383196 1067979474 /nfs/dbraw/zinc/97/94/74/1067979474.db2.gz DOXNUOLHWSEVKQ-UHFFFAOYSA-N 0 0 453.498 0.957 20 30 JCEDRN CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000915383230 1067979464 /nfs/dbraw/zinc/97/94/64/1067979464.db2.gz GABDOMFRZDPXDJ-UHFFFAOYSA-N 0 0 455.471 0.875 20 30 JCEDRN CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N1CCN(c3oc(C)nc3C#N)CC1)C2=O ZINC000915383866 1067979491 /nfs/dbraw/zinc/97/94/91/1067979491.db2.gz RVCGFGLIDWYROW-UHFFFAOYSA-N 0 0 486.529 0.937 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)o1 ZINC000915383928 1067979443 /nfs/dbraw/zinc/97/94/43/1067979443.db2.gz WXRNJKKDVMTEME-UHFFFAOYSA-N 0 0 465.463 0.164 20 30 JCEDRN CCn1c2ccccc2n(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1=O ZINC000915383935 1067979892 /nfs/dbraw/zinc/97/98/92/1067979892.db2.gz XKDUAWHKQPZZEL-UHFFFAOYSA-N 0 0 452.471 0.883 20 30 JCEDRN CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915383998 1067979845 /nfs/dbraw/zinc/97/98/45/1067979845.db2.gz FOZYTHZVYPXWNI-UHFFFAOYSA-N 0 0 461.500 0.577 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3c4ccccc4O[C@@H](C)C3=O)CC2)o1 ZINC000915384480 1067979367 /nfs/dbraw/zinc/97/93/67/1067979367.db2.gz TZLAREYAKXUMBE-AWEZNQCLSA-N 0 0 453.455 0.861 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3c4ccccc4O[C@H](C)C3=O)CC2)o1 ZINC000915384481 1067979480 /nfs/dbraw/zinc/97/94/80/1067979480.db2.gz TZLAREYAKXUMBE-CQSZACIVSA-N 0 0 453.455 0.861 20 30 JCEDRN COc1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc(Cl)c1OCC(N)=O ZINC000915384562 1067982911 /nfs/dbraw/zinc/98/29/11/1067982911.db2.gz YOBCNGMRERBKSA-UHFFFAOYSA-N 0 0 491.888 0.886 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000915384573 1067982895 /nfs/dbraw/zinc/98/28/95/1067982895.db2.gz YZHLSMPZAJCRQU-UHFFFAOYSA-N 0 0 491.526 0.285 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000915384577 1067982933 /nfs/dbraw/zinc/98/29/33/1067982933.db2.gz ZLODZGCTIXHYKP-UHFFFAOYSA-N 0 0 471.495 0.272 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)o1 ZINC000915384788 1067982830 /nfs/dbraw/zinc/98/28/30/1067982830.db2.gz AGHMLIHKWJVREN-UHFFFAOYSA-N 0 0 466.454 0.412 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 ZINC000915385049 1067982889 /nfs/dbraw/zinc/98/28/89/1067982889.db2.gz LTEPCXWJAVSAAF-UHFFFAOYSA-N 0 0 489.554 0.984 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)CC2)o1 ZINC000915385482 1067982947 /nfs/dbraw/zinc/98/29/47/1067982947.db2.gz BFIWGJRXHFLAGB-UHFFFAOYSA-N 0 0 491.501 0.940 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)CC2)o1 ZINC000915385940 1067983263 /nfs/dbraw/zinc/98/32/63/1067983263.db2.gz FOLMVBCEDQPSBO-IBGZPJMESA-N 0 0 487.538 0.900 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)CC2)o1 ZINC000915385941 1067983245 /nfs/dbraw/zinc/98/32/45/1067983245.db2.gz FOLMVBCEDQPSBO-LJQANCHMSA-N 0 0 487.538 0.900 20 30 JCEDRN N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000915386175 1067983347 /nfs/dbraw/zinc/98/33/47/1067983347.db2.gz DOROZMVOIDUXHT-UHFFFAOYSA-N 0 0 469.541 0.481 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)cc1OC ZINC000915386286 1067983236 /nfs/dbraw/zinc/98/32/36/1067983236.db2.gz HJGPQVOKLRUFNN-UHFFFAOYSA-N 0 0 457.530 0.337 20 30 JCEDRN N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000915386306 1067983210 /nfs/dbraw/zinc/98/32/10/1067983210.db2.gz IMWHGFZJRJBXME-UHFFFAOYSA-N 0 0 455.514 0.091 20 30 JCEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)c1 ZINC000915386334 1067983286 /nfs/dbraw/zinc/98/32/86/1067983286.db2.gz KHNMZSFUEUOUDT-UHFFFAOYSA-N 0 0 457.530 0.337 20 30 JCEDRN CS(=O)(=O)NCCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000915386541 1067983216 /nfs/dbraw/zinc/98/32/16/1067983216.db2.gz SZVIOWHMSWZLDN-AWEZNQCLSA-N 0 0 452.533 0.839 20 30 JCEDRN CS(=O)(=O)NCCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000915386551 1067983278 /nfs/dbraw/zinc/98/32/78/1067983278.db2.gz SZVIOWHMSWZLDN-CQSZACIVSA-N 0 0 452.533 0.839 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccc1F ZINC000915386628 1067983252 /nfs/dbraw/zinc/98/32/52/1067983252.db2.gz VKSBHZVDPIGHMV-UHFFFAOYSA-N 0 0 491.501 0.964 20 30 JCEDRN COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915386719 1067983353 /nfs/dbraw/zinc/98/33/53/1067983353.db2.gz VFPHHVVTHZVUDB-UHFFFAOYSA-N 0 0 491.526 0.285 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3c(C)c4c(C)nn(C)c4[nH]c3=O)CC2)o1 ZINC000915387735 1067983302 /nfs/dbraw/zinc/98/33/02/1067983302.db2.gz BONPAVLBSXTJGB-UHFFFAOYSA-N 0 0 481.513 0.871 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(C4CC4)nc4c3c(=O)[nH]c(=O)n4C)CC2)o1 ZINC000915388306 1067980226 /nfs/dbraw/zinc/98/02/26/1067980226.db2.gz WSVISAYFGZQPHU-UHFFFAOYSA-N 0 0 493.480 0.585 20 30 JCEDRN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1)CCCC2 ZINC000915388393 1067980241 /nfs/dbraw/zinc/98/02/41/1067980241.db2.gz ZLSQTRUOEXGPLZ-INIZCTEOSA-N 0 0 493.586 0.815 20 30 JCEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1)CCCC2 ZINC000915388396 1067980253 /nfs/dbraw/zinc/98/02/53/1067980253.db2.gz ZLSQTRUOEXGPLZ-MRXNPFEDSA-N 0 0 493.586 0.815 20 30 JCEDRN CN(CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)S(C)(=O)=O ZINC000915388448 1067980239 /nfs/dbraw/zinc/98/02/39/1067980239.db2.gz PKRVEOMMSLWSGB-AWEZNQCLSA-N 0 0 452.533 0.791 20 30 JCEDRN CN(CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)S(C)(=O)=O ZINC000915388464 1067980234 /nfs/dbraw/zinc/98/02/34/1067980234.db2.gz PKRVEOMMSLWSGB-CQSZACIVSA-N 0 0 452.533 0.791 20 30 JCEDRN CC(=O)Nc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 ZINC000915391504 1067980720 /nfs/dbraw/zinc/98/07/20/1067980720.db2.gz MAMGTPJRXWUDMF-UHFFFAOYSA-N 0 0 477.524 0.663 20 30 JCEDRN CCc1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnc2ncnn21 ZINC000915391597 1067981349 /nfs/dbraw/zinc/98/13/49/1067981349.db2.gz NKCCMRIWROJVQK-UHFFFAOYSA-N 0 0 483.510 0.248 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)CC2)o1 ZINC000915391904 1067981306 /nfs/dbraw/zinc/98/13/06/1067981306.db2.gz XXPDWKBSCLIRDQ-UHFFFAOYSA-N 0 0 477.499 0.738 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3cccs3)CC2)o1 ZINC000915392319 1067981697 /nfs/dbraw/zinc/98/16/97/1067981697.db2.gz OSHMCVMWMLRTKC-UHFFFAOYSA-N 0 0 453.502 0.087 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c3cccs3)CC2)o1 ZINC000915392505 1067982113 /nfs/dbraw/zinc/98/21/13/1067982113.db2.gz BRZDLBKAPJAOEF-GFCCVEGCSA-N 0 0 467.529 0.475 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c3cccs3)CC2)o1 ZINC000915392506 1067982098 /nfs/dbraw/zinc/98/20/98/1067982098.db2.gz BRZDLBKAPJAOEF-LBPRGKRZSA-N 0 0 467.529 0.475 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N(C)C)o3)CC2)o1 ZINC000915392720 1067982048 /nfs/dbraw/zinc/98/20/48/1067982048.db2.gz LKZKCJUOUGDLBY-UHFFFAOYSA-N 0 0 451.461 0.204 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cc(Br)ccc3=O)CC2)o1 ZINC000915392966 1067982036 /nfs/dbraw/zinc/98/20/36/1067982036.db2.gz UNELDQAXNQUFMM-UHFFFAOYSA-N 0 0 464.276 0.671 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2sccc2-n2cnnn2)CC1 ZINC000915395867 1067984445 /nfs/dbraw/zinc/98/44/45/1067984445.db2.gz NYKHVUVSUVPMCJ-UHFFFAOYSA-N 0 0 487.523 0.285 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)S(=O)(=O)c3ccccc3)CC2)o1 ZINC000915396051 1067984533 /nfs/dbraw/zinc/98/45/33/1067984533.db2.gz CJQIXLAOBPVKKT-UHFFFAOYSA-N 0 0 461.500 0.367 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)o1 ZINC000915403122 1067986858 /nfs/dbraw/zinc/98/68/58/1067986858.db2.gz KNKSAPTZQUCBEI-UHFFFAOYSA-N 0 0 452.427 0.162 20 30 JCEDRN COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(N)c1 ZINC000915405554 1067988829 /nfs/dbraw/zinc/98/88/29/1067988829.db2.gz QLKCTBGMGUEBNK-UHFFFAOYSA-N 0 0 458.496 0.839 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(Cl)ccc3-n3cnnn3)CC2)o1 ZINC000915413832 1067989287 /nfs/dbraw/zinc/98/92/87/1067989287.db2.gz BZMSGXPKJUHMPW-UHFFFAOYSA-N 0 0 456.850 0.989 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCCNC(=O)C2CC2)CC1 ZINC000915424577 1067994442 /nfs/dbraw/zinc/99/44/42/1067994442.db2.gz ZQQFEWITXHRWKP-UHFFFAOYSA-N 0 0 462.528 0.241 20 30 JCEDRN CN(C)C(=O)N1CCC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000915443936 1067998204 /nfs/dbraw/zinc/99/82/04/1067998204.db2.gz IRINIUMKJWQPGY-UHFFFAOYSA-N 0 0 491.570 0.328 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 ZINC000915444987 1068001288 /nfs/dbraw/zinc/00/12/88/1068001288.db2.gz UODYSIYGFRFSKY-UHFFFAOYSA-N 0 0 471.488 0.412 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 ZINC000915444995 1068001642 /nfs/dbraw/zinc/00/16/42/1068001642.db2.gz VAVGJZUVZSZTKL-CYBMUJFWSA-N 0 0 485.515 0.801 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 ZINC000915444996 1068001539 /nfs/dbraw/zinc/00/15/39/1068001539.db2.gz VAVGJZUVZSZTKL-ZDUSSCGKSA-N 0 0 485.515 0.801 20 30 JCEDRN Cc1noc(CCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000915450966 1068000871 /nfs/dbraw/zinc/00/08/71/1068000871.db2.gz IHKIOTPCCPIQLQ-UHFFFAOYSA-N 0 0 461.500 0.649 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)c(S(N)(=O)=O)c3)CC2)o1 ZINC000915462498 1068002738 /nfs/dbraw/zinc/00/27/38/1068002738.db2.gz HAFLPICGDWBMNC-UHFFFAOYSA-N 0 0 451.436 0.147 20 30 JCEDRN Cc1nc(C)c(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)[nH]1 ZINC000915465965 1068004228 /nfs/dbraw/zinc/00/42/28/1068004228.db2.gz AVXXOOMVFBZZOZ-UHFFFAOYSA-N 0 0 473.511 0.290 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000915467321 1068004551 /nfs/dbraw/zinc/00/45/51/1068004551.db2.gz GSLDQUMZGSBYQS-UHFFFAOYSA-N 0 0 495.286 0.504 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC[C@H](C)O)cc3)CC2)o1 ZINC000915476239 1068008677 /nfs/dbraw/zinc/00/86/77/1068008677.db2.gz QBMVVACSTXRUIL-AWEZNQCLSA-N 0 0 491.526 0.019 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)CC2)o1 ZINC000915476240 1068008692 /nfs/dbraw/zinc/00/86/92/1068008692.db2.gz QBMVVACSTXRUIL-CQSZACIVSA-N 0 0 491.526 0.019 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3)CC2)o1 ZINC000915478262 1068010557 /nfs/dbraw/zinc/01/05/57/1068010557.db2.gz GMHSGOZNEGBJJY-AWEZNQCLSA-N 0 0 491.526 0.019 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N[C@H](C)CO)cc3)CC2)o1 ZINC000915478263 1068010506 /nfs/dbraw/zinc/01/05/06/1068010506.db2.gz GMHSGOZNEGBJJY-CQSZACIVSA-N 0 0 491.526 0.019 20 30 JCEDRN CN(C)c1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000915487861 1068015891 /nfs/dbraw/zinc/01/58/91/1068015891.db2.gz IQNWVYDZDZOHNZ-UHFFFAOYSA-N 0 0 457.512 0.709 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCOC[C@H]2CCCO2)CC1 ZINC000915542156 1068021206 /nfs/dbraw/zinc/02/12/06/1068021206.db2.gz IEGWBMYMEIIQCV-GOSISDBHSA-N 0 0 465.528 0.520 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCOC[C@@H]2CCCO2)CC1 ZINC000915542166 1068021504 /nfs/dbraw/zinc/02/15/04/1068021504.db2.gz IEGWBMYMEIIQCV-SFHVURJKSA-N 0 0 465.528 0.520 20 30 JCEDRN COc1c(F)cc(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1S(N)(=O)=O ZINC000915543009 1068021219 /nfs/dbraw/zinc/02/12/19/1068021219.db2.gz CXOVYRXWNNMUGN-UHFFFAOYSA-N 0 0 495.489 0.084 20 30 JCEDRN Cc1ccn2c(c1)ncc(C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)c2=O ZINC000915545199 1068025820 /nfs/dbraw/zinc/02/58/20/1068025820.db2.gz FWLMBUZVAIMGBY-UHFFFAOYSA-N 0 0 495.517 0.565 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)o1 ZINC000915552929 1068023849 /nfs/dbraw/zinc/02/38/49/1068023849.db2.gz QTVWFJDQVKUUJM-UHFFFAOYSA-N 0 0 458.519 0.974 20 30 JCEDRN CCC(CC)N1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000915583410 1068028583 /nfs/dbraw/zinc/02/85/83/1068028583.db2.gz ORCLUEWYAKRRKR-GOSISDBHSA-N 0 0 490.582 0.971 20 30 JCEDRN CCC(CC)N1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000915583411 1068028573 /nfs/dbraw/zinc/02/85/73/1068028573.db2.gz ORCLUEWYAKRRKR-SFHVURJKSA-N 0 0 490.582 0.971 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000915605278 1068029456 /nfs/dbraw/zinc/02/94/56/1068029456.db2.gz AFQDCLIZFHQXCG-UHFFFAOYSA-N 0 0 454.552 0.916 20 30 JCEDRN CN1CCN(C(=O)c2ccc(CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000915605610 1068029384 /nfs/dbraw/zinc/02/93/84/1068029384.db2.gz JVELSMIAZAJBMO-UHFFFAOYSA-N 0 0 469.567 0.819 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000915605959 1068029338 /nfs/dbraw/zinc/02/93/38/1068029338.db2.gz VCDHYYHJQPMYLY-UHFFFAOYSA-N 0 0 454.552 0.916 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ccc1F ZINC000915611756 1068030436 /nfs/dbraw/zinc/03/04/36/1068030436.db2.gz VFUJEAXTUFPEHB-UHFFFAOYSA-N 0 0 496.542 0.663 20 30 JCEDRN NC(=O)c1ccc(CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000915615231 1068031013 /nfs/dbraw/zinc/03/10/13/1068031013.db2.gz RYFSJNAQYUEVHP-UHFFFAOYSA-N 0 0 455.540 0.559 20 30 JCEDRN CCS(=O)(=O)NC1CCN(C(=O)[C@@H](/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000915642744 1068033714 /nfs/dbraw/zinc/03/37/14/1068033714.db2.gz SJLKLHBSDBUYKE-KRWDZBQOSA-N 0 0 456.590 0.680 20 30 JCEDRN CN1CCN(C(=O)c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000915650687 1068034242 /nfs/dbraw/zinc/03/42/42/1068034242.db2.gz BNBRWYMQEUAGKJ-UHFFFAOYSA-N 0 0 455.540 0.429 20 30 JCEDRN COc1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCC(=O)N(C)C ZINC000915651429 1068033995 /nfs/dbraw/zinc/03/39/95/1068033995.db2.gz MVIVLAFOOVSBQV-UHFFFAOYSA-N 0 0 460.512 0.517 20 30 JCEDRN N#Cc1cccc(CNC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)c1 ZINC000915660553 1068034593 /nfs/dbraw/zinc/03/45/93/1068034593.db2.gz AGTUQCZDAZIMHO-NRFANRHFSA-N 0 0 456.455 0.938 20 30 JCEDRN N#Cc1cccc(CNC(=O)CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)c1 ZINC000915660559 1068034409 /nfs/dbraw/zinc/03/44/09/1068034409.db2.gz AGTUQCZDAZIMHO-OAQYLSRUSA-N 0 0 456.455 0.938 20 30 JCEDRN N#Cc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1 ZINC000915661080 1068034517 /nfs/dbraw/zinc/03/45/17/1068034517.db2.gz JDKUKUAXMUXQII-NRFANRHFSA-N 0 0 456.455 0.938 20 30 JCEDRN N#Cc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1 ZINC000915661081 1068034728 /nfs/dbraw/zinc/03/47/28/1068034728.db2.gz JDKUKUAXMUXQII-OAQYLSRUSA-N 0 0 456.455 0.938 20 30 JCEDRN CSc1nc2ncn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(=O)c2s1 ZINC000915672664 1068035112 /nfs/dbraw/zinc/03/51/12/1068035112.db2.gz GCCSAASBSAPIPR-UHFFFAOYSA-N 0 0 490.592 0.980 20 30 JCEDRN CCOC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000915682564 1068035536 /nfs/dbraw/zinc/03/55/36/1068035536.db2.gz HYQVXCJLYWCPIL-GOSISDBHSA-N 0 0 463.560 0.602 20 30 JCEDRN CCOC(=O)N[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000915682567 1068035347 /nfs/dbraw/zinc/03/53/47/1068035347.db2.gz HYQVXCJLYWCPIL-SFHVURJKSA-N 0 0 463.560 0.602 20 30 JCEDRN N#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000915711298 1068037736 /nfs/dbraw/zinc/03/77/36/1068037736.db2.gz KOKXMCJZKJCLKM-UHFFFAOYSA-N 0 0 479.540 0.775 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000915733497 1068041433 /nfs/dbraw/zinc/04/14/33/1068041433.db2.gz ROOJEQDTJBALBV-UHFFFAOYSA-N 0 0 458.496 0.865 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000915752414 1068044443 /nfs/dbraw/zinc/04/44/43/1068044443.db2.gz BPYIOHKNQLSPFC-UHFFFAOYSA-N 0 0 464.525 0.926 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)cc1 ZINC000915760833 1068046776 /nfs/dbraw/zinc/04/67/76/1068046776.db2.gz DKVFRTZCISPIPV-UHFFFAOYSA-N 0 0 455.500 0.724 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000915774981 1068056731 /nfs/dbraw/zinc/05/67/31/1068056731.db2.gz NIXXMTSCFDUWMV-UHFFFAOYSA-N 0 0 472.527 0.191 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 ZINC000915775332 1068056868 /nfs/dbraw/zinc/05/68/68/1068056868.db2.gz AOWLAZXGNJTCGD-UHFFFAOYSA-N 0 0 471.543 0.056 20 30 JCEDRN CCOc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(=O)(=O)N(C)C ZINC000915775475 1068056899 /nfs/dbraw/zinc/05/68/99/1068056899.db2.gz MEDGTMXOHYXORG-UHFFFAOYSA-N 0 0 460.516 0.769 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nc1 ZINC000915777244 1068057518 /nfs/dbraw/zinc/05/75/18/1068057518.db2.gz CYVPKZHOBWCATE-UHFFFAOYSA-N 0 0 492.945 0.794 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)nc1 ZINC000915777300 1068057344 /nfs/dbraw/zinc/05/73/44/1068057344.db2.gz FGHIGAFUSLDPQB-UHFFFAOYSA-N 0 0 479.541 0.793 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 ZINC000915777719 1068057476 /nfs/dbraw/zinc/05/74/76/1068057476.db2.gz NNTDOHYWKCYXFC-UHFFFAOYSA-N 0 0 458.500 0.141 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000915777839 1068057311 /nfs/dbraw/zinc/05/73/11/1068057311.db2.gz OVJWRZMJNFOENF-UHFFFAOYSA-N 0 0 459.532 0.436 20 30 JCEDRN COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 ZINC000915777975 1068057546 /nfs/dbraw/zinc/05/75/46/1068057546.db2.gz QEWXJWCHWCDRFJ-UHFFFAOYSA-N 0 0 488.526 0.150 20 30 JCEDRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 ZINC000915777991 1068057399 /nfs/dbraw/zinc/05/73/99/1068057399.db2.gz QVDLMSLIVSOWGB-UHFFFAOYSA-N 0 0 485.570 0.446 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000915778013 1068057432 /nfs/dbraw/zinc/05/74/32/1068057432.db2.gz SCQZIJMDIAGURX-UHFFFAOYSA-N 0 0 488.526 0.150 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000915778020 1068057327 /nfs/dbraw/zinc/05/73/27/1068057327.db2.gz SJICNFODLLBIBC-UHFFFAOYSA-N 0 0 458.500 0.569 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)C[C@H](C)O1 ZINC000915778036 1068057585 /nfs/dbraw/zinc/05/75/85/1068057585.db2.gz TZKJOLVRYHMAJN-HOTGVXAUSA-N 0 0 486.554 0.918 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)C[C@@H](C)O1 ZINC000915778037 1068057505 /nfs/dbraw/zinc/05/75/05/1068057505.db2.gz TZKJOLVRYHMAJN-HZPDHXFCSA-N 0 0 486.554 0.918 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)C[C@H](C)O1 ZINC000915778038 1068057849 /nfs/dbraw/zinc/05/78/49/1068057849.db2.gz TZKJOLVRYHMAJN-IYBDPMFKSA-N 0 0 486.554 0.918 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)nc1 ZINC000915778048 1068057962 /nfs/dbraw/zinc/05/79/62/1068057962.db2.gz UTGQQZNZMCZMGW-UHFFFAOYSA-N 0 0 456.466 0.978 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 ZINC000915778231 1068057763 /nfs/dbraw/zinc/05/77/63/1068057763.db2.gz VVVNOYCEEKQREO-UHFFFAOYSA-N 0 0 458.500 0.141 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000915778241 1068057934 /nfs/dbraw/zinc/05/79/34/1068057934.db2.gz IBHXAVWTZDZPDL-UHFFFAOYSA-N 0 0 486.536 0.950 20 30 JCEDRN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 ZINC000915778258 1068057777 /nfs/dbraw/zinc/05/77/77/1068057777.db2.gz WFUUSHBIJZLKOI-AWEZNQCLSA-N 0 0 460.516 0.433 20 30 JCEDRN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 ZINC000915778259 1068057863 /nfs/dbraw/zinc/05/78/63/1068057863.db2.gz WFUUSHBIJZLKOI-CQSZACIVSA-N 0 0 460.516 0.433 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)nc1 ZINC000915778312 1068057825 /nfs/dbraw/zinc/05/78/25/1068057825.db2.gz XCZQOSBTCGKPPV-UHFFFAOYSA-N 0 0 451.487 0.391 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000915778355 1068057802 /nfs/dbraw/zinc/05/78/02/1068057802.db2.gz XWESNTJEVXAARA-UHFFFAOYSA-N 0 0 472.527 0.449 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)nc1 ZINC000915778356 1068057886 /nfs/dbraw/zinc/05/78/86/1068057886.db2.gz XWRDLXQBXJZOPM-UHFFFAOYSA-N 0 0 455.500 0.591 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000915785026 1068054547 /nfs/dbraw/zinc/05/45/47/1068054547.db2.gz AGUUAPWQAYYWPS-UHFFFAOYSA-N 0 0 455.500 0.591 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000915785038 1068054642 /nfs/dbraw/zinc/05/46/42/1068054642.db2.gz BRRHPTMSTCMDTQ-UHFFFAOYSA-N 0 0 459.532 0.436 20 30 JCEDRN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 ZINC000915785052 1068054610 /nfs/dbraw/zinc/05/46/10/1068054610.db2.gz DAQRBSAMPZSTNG-AWEZNQCLSA-N 0 0 460.516 0.433 20 30 JCEDRN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 ZINC000915785053 1068054511 /nfs/dbraw/zinc/05/45/11/1068054511.db2.gz DAQRBSAMPZSTNG-CQSZACIVSA-N 0 0 460.516 0.433 20 30 JCEDRN CCOc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)N(C)C ZINC000915785068 1068054498 /nfs/dbraw/zinc/05/44/98/1068054498.db2.gz FRTMVKKIOHAMNT-UHFFFAOYSA-N 0 0 460.516 0.769 20 30 JCEDRN COc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)N1CCOCC1 ZINC000915785070 1068054373 /nfs/dbraw/zinc/05/43/73/1068054373.db2.gz FXBGKVLHVUYSSU-UHFFFAOYSA-N 0 0 488.526 0.150 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000915785099 1068054436 /nfs/dbraw/zinc/05/44/36/1068054436.db2.gz IYNNNHCKMOFDGF-UHFFFAOYSA-N 0 0 479.541 0.793 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000915785120 1068054484 /nfs/dbraw/zinc/05/44/84/1068054484.db2.gz LDECHGZRTOBBIP-UHFFFAOYSA-N 0 0 456.466 0.978 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000915785148 1068054387 /nfs/dbraw/zinc/05/43/87/1068054387.db2.gz OHVIAIYFJWTYRC-UHFFFAOYSA-N 0 0 472.527 0.449 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 ZINC000915785176 1068054824 /nfs/dbraw/zinc/05/48/24/1068054824.db2.gz QEVGGGLYHKJFCE-UHFFFAOYSA-N 0 0 471.543 0.056 20 30 JCEDRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 ZINC000915785230 1068054834 /nfs/dbraw/zinc/05/48/34/1068054834.db2.gz VCCKRFXXXFFXAD-UHFFFAOYSA-N 0 0 485.570 0.446 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000915785260 1068055018 /nfs/dbraw/zinc/05/50/18/1068055018.db2.gz XDRUPFHLPQCZJG-UHFFFAOYSA-N 0 0 488.526 0.150 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)C[C@H](C)O1 ZINC000915785278 1068054861 /nfs/dbraw/zinc/05/48/61/1068054861.db2.gz YZFCHSOFCPMKRF-HOTGVXAUSA-N 0 0 486.554 0.918 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)C[C@@H](C)O1 ZINC000915785279 1068054876 /nfs/dbraw/zinc/05/48/76/1068054876.db2.gz YZFCHSOFCPMKRF-HZPDHXFCSA-N 0 0 486.554 0.918 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)C[C@H](C)O1 ZINC000915785280 1068054903 /nfs/dbraw/zinc/05/49/03/1068054903.db2.gz YZFCHSOFCPMKRF-IYBDPMFKSA-N 0 0 486.554 0.918 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000915785503 1068054810 /nfs/dbraw/zinc/05/48/10/1068054810.db2.gz HBOIUOJRVUCKHW-UHFFFAOYSA-N 0 0 492.945 0.794 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000915785564 1068055048 /nfs/dbraw/zinc/05/50/48/1068055048.db2.gz LZILSXSYDOVFJB-UHFFFAOYSA-N 0 0 458.500 0.141 20 30 JCEDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000915785684 1068055033 /nfs/dbraw/zinc/05/50/33/1068055033.db2.gz NBUBHDDUWNNLTL-UHFFFAOYSA-N 0 0 458.500 0.569 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000915785926 1068055268 /nfs/dbraw/zinc/05/52/68/1068055268.db2.gz WETTTXPAOZULIP-UHFFFAOYSA-N 0 0 458.500 0.141 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000915786023 1068055373 /nfs/dbraw/zinc/05/53/73/1068055373.db2.gz ZUHURYVTKBVRAV-UHFFFAOYSA-N 0 0 451.487 0.391 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c1=O ZINC000915794631 1068058303 /nfs/dbraw/zinc/05/83/03/1068058303.db2.gz GBTZYKLAZPAAPM-NVNXTCNLSA-N 0 0 454.468 0.149 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c1=O ZINC000915794632 1068058098 /nfs/dbraw/zinc/05/80/98/1068058098.db2.gz GBTZYKLAZPAAPM-OVCLIPMQSA-N 0 0 454.468 0.149 20 30 JCEDRN CCn1cc(C#N)c(=O)n(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1=O ZINC000915794698 1068058396 /nfs/dbraw/zinc/05/83/96/1068058396.db2.gz RMCIYMOSDVWRIL-UHFFFAOYSA-N 0 0 455.496 0.839 20 30 JCEDRN C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(CN2CCNC(=O)C2)c1=S ZINC000915809078 1068060445 /nfs/dbraw/zinc/06/04/45/1068060445.db2.gz IXJWLHPBMPUTAQ-UHFFFAOYSA-N 0 0 478.600 0.677 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000915873348 1068064684 /nfs/dbraw/zinc/06/46/84/1068064684.db2.gz GQKPCEUJJMRSDC-ACNSNUFOSA-N 0 0 495.583 0.603 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000915873349 1068064596 /nfs/dbraw/zinc/06/45/96/1068064596.db2.gz GQKPCEUJJMRSDC-CVIUTVQRSA-N 0 0 495.583 0.603 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000915873350 1068064481 /nfs/dbraw/zinc/06/44/81/1068064481.db2.gz GQKPCEUJJMRSDC-SAZKUCFMSA-N 0 0 495.583 0.603 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000915873351 1068064466 /nfs/dbraw/zinc/06/44/66/1068064466.db2.gz GQKPCEUJJMRSDC-VKWHMPGMSA-N 0 0 495.583 0.603 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000915903069 1068070450 /nfs/dbraw/zinc/07/04/50/1068070450.db2.gz VBLSFHHLTCIVIF-JZJYNLBNSA-N 0 0 472.570 0.948 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000915903070 1068070113 /nfs/dbraw/zinc/07/01/13/1068070113.db2.gz VBLSFHHLTCIVIF-LVZFUZTISA-N 0 0 472.570 0.948 20 30 JCEDRN CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000915925302 1068070875 /nfs/dbraw/zinc/07/08/75/1068070875.db2.gz IVBMAVBXTRPDRK-UHFFFAOYSA-N 0 0 455.606 0.228 20 30 JCEDRN COc1cc(C=NNC(=S)NCCN2CCOCC2)ccc1OCC(=O)N1CCOCC1 ZINC000915926034 1068070752 /nfs/dbraw/zinc/07/07/52/1068070752.db2.gz VTDAZTKTTQSCLF-UHFFFAOYSA-N 0 0 465.576 0.063 20 30 JCEDRN COc1cc2c(cc1OC)C(=NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cn1)C(=O)N2 ZINC000915947787 1068070969 /nfs/dbraw/zinc/07/09/69/1068070969.db2.gz GDEDKKWWCGJXCW-UHFFFAOYSA-N 0 0 460.516 0.803 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NN=C3c4ccc(N5CCOCC5)cc4NC3=O)nc2)CC1 ZINC000915948532 1068071464 /nfs/dbraw/zinc/07/14/64/1068071464.db2.gz UKIRGEQJYVDBFG-UHFFFAOYSA-N 0 0 485.570 0.623 20 30 JCEDRN CC(N=Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cccc(S(N)(=O)=O)c1 ZINC000915948563 1068071208 /nfs/dbraw/zinc/07/12/08/1068071208.db2.gz UYBUCCPYPJNWGE-UHFFFAOYSA-N 0 0 452.562 0.501 20 30 JCEDRN CNS(=O)(=O)c1cccc(C(C)N=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 ZINC000915948582 1068071565 /nfs/dbraw/zinc/07/15/65/1068071565.db2.gz VOEAIBDXUOLOOY-UHFFFAOYSA-N 0 0 466.589 0.762 20 30 JCEDRN N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000915997976 1068071714 /nfs/dbraw/zinc/07/17/14/1068071714.db2.gz UTCFBXHXEDXJDF-UHFFFAOYSA-N 0 0 465.582 0.909 20 30 JCEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3cccc(S(=O)(=O)N(C)C)c3)c2=O)cc1 ZINC000916193356 1068086416 /nfs/dbraw/zinc/08/64/16/1068086416.db2.gz HYWCLHKOGJXQLJ-UHFFFAOYSA-N 0 0 494.554 0.963 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000916193477 1068086189 /nfs/dbraw/zinc/08/61/89/1068086189.db2.gz BSHFXPLRRBFEPY-UHFFFAOYSA-N 0 0 491.573 0.254 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccccc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000916193701 1068086371 /nfs/dbraw/zinc/08/63/71/1068086371.db2.gz JCSAJIBJABUXDG-UHFFFAOYSA-N 0 0 490.585 0.859 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)cc1 ZINC000916193789 1068086341 /nfs/dbraw/zinc/08/63/41/1068086341.db2.gz LHHIXNOETLKRDP-UHFFFAOYSA-N 0 0 450.520 0.958 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(OC)cc1 ZINC000916193820 1068086284 /nfs/dbraw/zinc/08/62/84/1068086284.db2.gz MIHIOFVVHNRZOR-UHFFFAOYSA-N 0 0 493.541 0.960 20 30 JCEDRN COc1ccc(-n2c(=O)c(=Cc3ccsc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)cc1 ZINC000916193877 1068086495 /nfs/dbraw/zinc/08/64/95/1068086495.db2.gz PSKVPAQJFBBOET-UHFFFAOYSA-N 0 0 496.614 0.921 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccc(OC)cc2)CC1 ZINC000916194115 1068086315 /nfs/dbraw/zinc/08/63/15/1068086315.db2.gz ZAJFREPRKOLCCC-UHFFFAOYSA-N 0 0 475.574 0.970 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C(=O)NCCOC ZINC000916196067 1068086450 /nfs/dbraw/zinc/08/64/50/1068086450.db2.gz MBRNNHYBZMAPEM-UHFFFAOYSA-N 0 0 495.342 0.966 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 ZINC000916196703 1068086511 /nfs/dbraw/zinc/08/65/11/1068086511.db2.gz FGCSOHOGONSJTO-AWEZNQCLSA-N 0 0 492.941 0.916 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 ZINC000916196704 1068086243 /nfs/dbraw/zinc/08/62/43/1068086243.db2.gz FGCSOHOGONSJTO-CQSZACIVSA-N 0 0 492.941 0.916 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCOC ZINC000916198017 1068086767 /nfs/dbraw/zinc/08/67/67/1068086767.db2.gz ABHOJUVATXMUIN-UHFFFAOYSA-N 0 0 480.384 0.974 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCOC)c2=O)cc1 ZINC000916198022 1068086791 /nfs/dbraw/zinc/08/67/91/1068086791.db2.gz AJSOYJITMJGWCP-UHFFFAOYSA-N 0 0 470.595 0.070 20 30 JCEDRN COCCn1c(=O)c(=Cc2c(C)cc(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198046 1068086682 /nfs/dbraw/zinc/08/66/82/1068086682.db2.gz BJTGVWXQUKIUGS-UHFFFAOYSA-N 0 0 484.622 0.433 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000916198068 1068086898 /nfs/dbraw/zinc/08/68/98/1068086898.db2.gz BSQZAGHFDJAIEM-UHFFFAOYSA-N 0 0 467.503 0.755 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000916198089 1068086913 /nfs/dbraw/zinc/08/69/13/1068086913.db2.gz CAEHTIBBQAZNLC-UHFFFAOYSA-N 0 0 499.545 0.994 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCOC ZINC000916198124 1068086780 /nfs/dbraw/zinc/08/67/80/1068086780.db2.gz CTDAJGKNUMWONT-UHFFFAOYSA-N 0 0 480.384 0.974 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCOC ZINC000916198172 1068087248 /nfs/dbraw/zinc/08/72/48/1068087248.db2.gz DHNDYMVZVLYZBR-UHFFFAOYSA-N 0 0 455.458 0.841 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCOC ZINC000916198202 1068087379 /nfs/dbraw/zinc/08/73/79/1068087379.db2.gz FRZUMXANGBXYLD-UHFFFAOYSA-N 0 0 466.357 0.584 20 30 JCEDRN COCCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198217 1068087159 /nfs/dbraw/zinc/08/71/59/1068087159.db2.gz GMWHQKQTTHBOIK-UHFFFAOYSA-N 0 0 494.976 0.300 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198220 1068087089 /nfs/dbraw/zinc/08/70/89/1068087089.db2.gz GQZIFSXWNSLZDI-UHFFFAOYSA-N 0 0 476.986 0.161 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NCc1ccco1 ZINC000916198231 1068087141 /nfs/dbraw/zinc/08/71/41/1068087141.db2.gz HIXBZTRZBWTZNN-UHFFFAOYSA-N 0 0 454.464 0.877 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(OC)ccc3ccccc32)c(=O)n1CCOC ZINC000916198252 1068087289 /nfs/dbraw/zinc/08/72/89/1068087289.db2.gz ICSJMNYEELKFFY-UHFFFAOYSA-N 0 0 467.547 0.984 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198255 1068087220 /nfs/dbraw/zinc/08/72/20/1068087220.db2.gz IELZXYNMJZACIG-UHFFFAOYSA-N 0 0 493.589 0.056 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCOC ZINC000916198256 1068087125 /nfs/dbraw/zinc/08/71/25/1068087125.db2.gz IGEMSDLZFPCULN-UHFFFAOYSA-N 0 0 453.467 0.423 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCOC ZINC000916198257 1068087277 /nfs/dbraw/zinc/08/72/77/1068087277.db2.gz IGIAPBWWBHSDFJ-UHFFFAOYSA-N 0 0 466.357 0.584 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(C(C)(C)C)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198271 1068087188 /nfs/dbraw/zinc/08/71/88/1068087188.db2.gz IZGFEJMCGGBIEN-UHFFFAOYSA-N 0 0 498.649 0.805 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n1CCOC ZINC000916198272 1068087262 /nfs/dbraw/zinc/08/72/62/1068087262.db2.gz JAVSCQYPPCNSLZ-UHFFFAOYSA-N 0 0 498.517 0.990 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198295 1068087328 /nfs/dbraw/zinc/08/73/28/1068087328.db2.gz KMEDRZLATPDYHD-UHFFFAOYSA-N 0 0 476.986 0.161 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CCOC ZINC000916198307 1068087173 /nfs/dbraw/zinc/08/71/73/1068087173.db2.gz LHTAEAMYOJKMTJ-UHFFFAOYSA-N 0 0 466.903 0.383 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(SC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198315 1068087235 /nfs/dbraw/zinc/08/72/35/1068087235.db2.gz LVZUGTVPWIZCBF-UHFFFAOYSA-N 0 0 488.635 0.230 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CCOC ZINC000916198430 1068087303 /nfs/dbraw/zinc/08/73/03/1068087303.db2.gz LYLAMYXIPDRAJG-UHFFFAOYSA-N 0 0 480.930 0.774 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(C)cc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198480 1068087363 /nfs/dbraw/zinc/08/73/63/1068087363.db2.gz MRHZZXRAIXIZAN-UHFFFAOYSA-N 0 0 470.595 0.125 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCOC ZINC000916198533 1068087104 /nfs/dbraw/zinc/08/71/04/1068087104.db2.gz NIBYJAPIFZXUQF-UHFFFAOYSA-N 0 0 466.357 0.584 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCOC ZINC000916198540 1068087204 /nfs/dbraw/zinc/08/72/04/1068087204.db2.gz NPJHFSLKAYHEDB-UHFFFAOYSA-N 0 0 452.536 0.760 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCOC ZINC000916198592 1068087342 /nfs/dbraw/zinc/08/73/42/1068087342.db2.gz QDLFIECFQRIWHR-UHFFFAOYSA-N 0 0 455.458 0.841 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CCOC ZINC000916198666 1068087319 /nfs/dbraw/zinc/08/73/19/1068087319.db2.gz SAKMWVVAELJHKP-UHFFFAOYSA-N 0 0 496.383 0.593 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCOC ZINC000916198682 1068087791 /nfs/dbraw/zinc/08/77/91/1068087791.db2.gz SQPIQSNCNULCEU-UHFFFAOYSA-N 0 0 458.540 0.170 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCOC ZINC000916198706 1068087657 /nfs/dbraw/zinc/08/76/57/1068087657.db2.gz TWRWADLEGGQTLQ-UHFFFAOYSA-N 0 0 480.384 0.974 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCOC ZINC000916198743 1068087774 /nfs/dbraw/zinc/08/77/74/1068087774.db2.gz VBVZDZITPSYXOT-UHFFFAOYSA-N 0 0 455.458 0.841 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000916198746 1068087852 /nfs/dbraw/zinc/08/78/52/1068087852.db2.gz VDGJDUUWFFTLGN-UHFFFAOYSA-N 0 0 454.464 0.877 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198748 1068087807 /nfs/dbraw/zinc/08/78/07/1068087807.db2.gz VGEIUNQJCGQCIH-UHFFFAOYSA-N 0 0 492.601 0.661 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000916198756 1068087727 /nfs/dbraw/zinc/08/77/27/1068087727.db2.gz VOLZUUSRRRUCKL-UHFFFAOYSA-N 0 0 454.464 0.877 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000916198774 1068087821 /nfs/dbraw/zinc/08/78/21/1068087821.db2.gz VZCOEYCRXBBMSJ-UHFFFAOYSA-N 0 0 461.540 0.610 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(C)ccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198784 1068087471 /nfs/dbraw/zinc/08/74/71/1068087471.db2.gz WPQGBXFCMTVMAZ-UHFFFAOYSA-N 0 0 470.595 0.125 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)NC(C)C ZINC000916198922 1068087537 /nfs/dbraw/zinc/08/75/37/1068087537.db2.gz XOQRXAYVZRWJJM-UHFFFAOYSA-N 0 0 461.540 0.610 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198939 1068087711 /nfs/dbraw/zinc/08/77/11/1068087711.db2.gz XYSULUNECSAMGF-UHFFFAOYSA-N 0 0 476.986 0.161 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(C(C)C)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916199030 1068087491 /nfs/dbraw/zinc/08/74/91/1068087491.db2.gz ZOMRFVQCEUXQKL-UHFFFAOYSA-N 0 0 484.622 0.631 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCOC ZINC000916199045 1068087506 /nfs/dbraw/zinc/08/75/06/1068087506.db2.gz ZXAIAINBMHMLFU-UHFFFAOYSA-N 0 0 453.467 0.423 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(F)c3)c(=O)n2CCOC)CC1 ZINC000916199086 1068087632 /nfs/dbraw/zinc/08/76/32/1068087632.db2.gz AHLAASMZIVECIQ-UHFFFAOYSA-N 0 0 462.522 0.502 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3F)c(=O)n2CCOC)CC1 ZINC000916199087 1068087583 /nfs/dbraw/zinc/08/75/83/1068087583.db2.gz AHLDOIVLVSYTFZ-UHFFFAOYSA-N 0 0 462.522 0.502 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C(=O)NC1CC1 ZINC000916199097 1068087837 /nfs/dbraw/zinc/08/78/37/1068087837.db2.gz ANRULXZSQVUVOA-UHFFFAOYSA-N 0 0 495.342 0.942 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199183 1068087612 /nfs/dbraw/zinc/08/76/12/1068087612.db2.gz CKTQTIOXJPGTBQ-UHFFFAOYSA-N 0 0 478.368 0.681 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(C(F)(F)F)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199217 1068087521 /nfs/dbraw/zinc/08/75/21/1068087521.db2.gz CXFUSBMABOKMFP-UHFFFAOYSA-N 0 0 467.469 0.937 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2CCOC)CC1 ZINC000916199221 1068087744 /nfs/dbraw/zinc/08/77/44/1068087744.db2.gz CXXJLNGFXXVTDY-UHFFFAOYSA-N 0 0 486.594 0.241 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2CCOC)CC1 ZINC000916199259 1068087552 /nfs/dbraw/zinc/08/75/52/1068087552.db2.gz DLBUWGYNXQCBHB-UHFFFAOYSA-N 0 0 471.539 0.132 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4ncccc4c3)c(=O)n2CCOC)CC1 ZINC000916199260 1068087678 /nfs/dbraw/zinc/08/76/78/1068087678.db2.gz DLRUTXXJHPGPMF-UHFFFAOYSA-N 0 0 477.590 0.772 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(F)cccc3F)c(=O)n2CCOC)CC1 ZINC000916199264 1068088402 /nfs/dbraw/zinc/08/84/02/1068088402.db2.gz DZYLICBZAIBAFN-UHFFFAOYSA-N 0 0 462.522 0.502 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000916199381 1068088057 /nfs/dbraw/zinc/08/80/57/1068088057.db2.gz FYTPENLORAQPKA-UHFFFAOYSA-N 0 0 459.524 0.364 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2CCOC)CC1 ZINC000916199410 1068088127 /nfs/dbraw/zinc/08/81/27/1068088127.db2.gz GKPMDASTJKWZKD-UHFFFAOYSA-N 0 0 486.594 0.241 20 30 JCEDRN COCCn1c(=O)c(=Cc2c(F)cccc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199441 1068087985 /nfs/dbraw/zinc/08/79/85/1068087985.db2.gz GOBOBJJDUBXRQZ-UHFFFAOYSA-N 0 0 451.907 0.711 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)cc1 ZINC000916199456 1068088158 /nfs/dbraw/zinc/08/81/58/1068088158.db2.gz GVBPQBDKGLRBHU-UHFFFAOYSA-N 0 0 470.595 0.622 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2CCOC)CC1 ZINC000916199460 1068088197 /nfs/dbraw/zinc/08/81/97/1068088197.db2.gz GWNOXCDWKASRDM-UHFFFAOYSA-N 0 0 486.594 0.241 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2CCOC)CC1 ZINC000916199481 1068088228 /nfs/dbraw/zinc/08/82/28/1068088228.db2.gz HETRXDDLSIBURA-UHFFFAOYSA-N 0 0 456.568 0.232 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2Br)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199503 1068088110 /nfs/dbraw/zinc/08/81/10/1068088110.db2.gz HOURAUAWMSFOFD-UHFFFAOYSA-N 0 0 478.368 0.681 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(Br)c(O)c(OC)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000916199504 1068088077 /nfs/dbraw/zinc/08/80/77/1068088077.db2.gz HOVGLWAJASTZAE-UHFFFAOYSA-N 0 0 494.367 0.815 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Cl)c([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199539 1068088257 /nfs/dbraw/zinc/08/82/57/1068088257.db2.gz HZTXEXYPCWULIQ-UHFFFAOYSA-N 0 0 478.914 0.480 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2CCOC)CC1 ZINC000916199551 1068087948 /nfs/dbraw/zinc/08/79/48/1068087948.db2.gz ICKKATVUXYAKNX-UHFFFAOYSA-N 0 0 484.578 0.010 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000916199585 1068088001 /nfs/dbraw/zinc/08/80/01/1068088001.db2.gz IPGHYOJVTGWDDJ-UHFFFAOYSA-N 0 0 465.478 0.948 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)N1CCCC1 ZINC000916199597 1068088388 /nfs/dbraw/zinc/08/83/88/1068088388.db2.gz IULJXUAZOJHRMJ-UHFFFAOYSA-N 0 0 473.551 0.707 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(C(F)(F)F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199628 1068088329 /nfs/dbraw/zinc/08/83/29/1068088329.db2.gz JHRMKBCMDCOGKG-UHFFFAOYSA-N 0 0 467.469 0.937 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(OC)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000916199630 1068088044 /nfs/dbraw/zinc/08/80/44/1068088044.db2.gz JINOSAOSHAYFIU-UHFFFAOYSA-N 0 0 473.551 0.707 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2CCOC)CC1 ZINC000916199636 1068088016 /nfs/dbraw/zinc/08/80/16/1068088016.db2.gz JOMOUJMBXNEMQK-UHFFFAOYSA-N 0 0 456.568 0.232 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)ccc3C)c(=O)n2CCOC)CC1 ZINC000916199688 1068088343 /nfs/dbraw/zinc/08/83/43/1068088343.db2.gz KICOFHNGJRGNQR-UHFFFAOYSA-N 0 0 454.596 0.840 20 30 JCEDRN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(CCOC)c1=O ZINC000916199870 1068088270 /nfs/dbraw/zinc/08/82/70/1068088270.db2.gz LIQHROPROKAYKO-UHFFFAOYSA-N 0 0 470.595 0.622 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc(Br)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199885 1068088375 /nfs/dbraw/zinc/08/83/75/1068088375.db2.gz LQWQDTIHJYWPNW-UHFFFAOYSA-N 0 0 478.368 0.681 20 30 JCEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)cc1 ZINC000916199886 1068088302 /nfs/dbraw/zinc/08/83/02/1068088302.db2.gz LQXUYUXIIKEQKF-UHFFFAOYSA-N 0 0 454.596 0.786 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3C)c(=O)n2CCOC)CC1 ZINC000916199894 1068088742 /nfs/dbraw/zinc/08/87/42/1068088742.db2.gz MENVDAPRCICEPO-UHFFFAOYSA-N 0 0 454.596 0.840 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199904 1068088729 /nfs/dbraw/zinc/08/87/29/1068088729.db2.gz MVCOFVYGDBPWNW-UHFFFAOYSA-N 0 0 495.504 0.528 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2C(F)(F)F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199920 1068088518 /nfs/dbraw/zinc/08/85/18/1068088518.db2.gz NVFLONGSKGPGHV-UHFFFAOYSA-N 0 0 467.469 0.937 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3Cl)c(=O)n2CCOC)CC1 ZINC000916199933 1068088948 /nfs/dbraw/zinc/08/89/48/1068088948.db2.gz OLXWMFOTRCNLBO-UHFFFAOYSA-N 0 0 460.987 0.877 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2CCOC)CC1 ZINC000916199939 1068088902 /nfs/dbraw/zinc/08/89/02/1068088902.db2.gz OTDCYEAKLDXALU-UHFFFAOYSA-N 0 0 456.568 0.232 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2CCOC)CC1 ZINC000916199968 1068088683 /nfs/dbraw/zinc/08/86/83/1068088683.db2.gz PSEWRFGZLXFMKR-UHFFFAOYSA-N 0 0 471.539 0.132 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(NC(C)=O)cc3)c(=O)n2CCOC)CC1 ZINC000916199997 1068088873 /nfs/dbraw/zinc/08/88/73/1068088873.db2.gz RMNIHBUIKWTVMI-UHFFFAOYSA-N 0 0 483.594 0.182 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC(F)F)c(=O)n2CCOC)CC1 ZINC000916200060 1068088649 /nfs/dbraw/zinc/08/86/49/1068088649.db2.gz STYJOXFVKBCRHQ-UHFFFAOYSA-N 0 0 492.548 0.825 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)cc1OC ZINC000916200091 1068088831 /nfs/dbraw/zinc/08/88/31/1068088831.db2.gz TYBFGTBBPWXKCG-UHFFFAOYSA-N 0 0 473.551 0.325 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(SC)cc3)c(=O)n2CCOC)CC1 ZINC000916200114 1068088600 /nfs/dbraw/zinc/08/86/00/1068088600.db2.gz UNBCMHAWCMFKRL-UHFFFAOYSA-N 0 0 472.636 0.945 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3)c(=O)n2CCOC)CC1 ZINC000916200149 1068088799 /nfs/dbraw/zinc/08/87/99/1068088799.db2.gz VNJPJWZVZLUAIA-UHFFFAOYSA-N 0 0 460.987 0.877 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916200158 1068088787 /nfs/dbraw/zinc/08/87/87/1068088787.db2.gz VZBKPKQPHCLEBH-UHFFFAOYSA-N 0 0 450.520 0.466 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2CCOC)CC1 ZINC000916200164 1068088847 /nfs/dbraw/zinc/08/88/47/1068088847.db2.gz WIQZYMGXDAIDBP-UHFFFAOYSA-N 0 0 471.539 0.132 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2CCOC)CC1 ZINC000916200187 1068088765 /nfs/dbraw/zinc/08/87/65/1068088765.db2.gz XYOJVASWGGJVQN-UHFFFAOYSA-N 0 0 460.987 0.877 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC(F)F)cc3)c(=O)n2CCOC)CC1 ZINC000916200204 1068088535 /nfs/dbraw/zinc/08/85/35/1068088535.db2.gz YRXRXPJBLQLZSH-UHFFFAOYSA-N 0 0 492.548 0.825 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(OC)c(OC)c2OC)sc1=C(C#N)C(=O)NC1CC1 ZINC000916200231 1068088715 /nfs/dbraw/zinc/08/87/15/1068088715.db2.gz ZJIODDJXKNYIGJ-UHFFFAOYSA-N 0 0 459.524 0.364 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCOC ZINC000916200450 1068088584 /nfs/dbraw/zinc/08/85/84/1068088584.db2.gz ANEIKCIWSYRUNY-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCOC ZINC000916200595 1068088562 /nfs/dbraw/zinc/08/85/62/1068088562.db2.gz IFAGQQXGCHPVAV-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCOC ZINC000916200616 1068088930 /nfs/dbraw/zinc/08/89/30/1068088930.db2.gz INTXYZUJPKKMHY-UHFFFAOYSA-N 0 0 459.524 0.387 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCOC ZINC000916200735 1068089219 /nfs/dbraw/zinc/08/92/19/1068089219.db2.gz NZPZKXWBNGDNRX-UHFFFAOYSA-N 0 0 451.495 0.880 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000916200759 1068089231 /nfs/dbraw/zinc/08/92/31/1068089231.db2.gz PCUFUZHPMXYJCF-UHFFFAOYSA-N 0 0 494.573 0.830 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CCOC ZINC000916200839 1068089417 /nfs/dbraw/zinc/08/94/17/1068089417.db2.gz RNWXPPBZNGDIAD-UHFFFAOYSA-N 0 0 465.478 0.971 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1CCOC ZINC000916200896 1068089334 /nfs/dbraw/zinc/08/93/34/1068089334.db2.gz UFWLWVKPQYDXIG-UHFFFAOYSA-N 0 0 459.524 0.387 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CCOC ZINC000916200911 1068089188 /nfs/dbraw/zinc/08/91/88/1068089188.db2.gz VBTDEVDXQBUTIQ-UHFFFAOYSA-N 0 0 495.342 0.966 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CCOC ZINC000916200954 1068089270 /nfs/dbraw/zinc/08/92/70/1068089270.db2.gz XHNHPWGYMVFNEO-UHFFFAOYSA-N 0 0 494.367 0.838 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CCN1CCOCC1 ZINC000916201155 1068089095 /nfs/dbraw/zinc/08/90/95/1068089095.db2.gz FLUYLLSHBSXHPD-UHFFFAOYSA-N 0 0 492.342 0.873 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)ccc1OC(F)F ZINC000916201187 1068089207 /nfs/dbraw/zinc/08/92/07/1068089207.db2.gz GZQYHCJWCWWVHA-UHFFFAOYSA-N 0 0 462.478 0.879 20 30 JCEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(OC)c1OC ZINC000916201203 1068089245 /nfs/dbraw/zinc/08/92/45/1068089245.db2.gz HKSHFHCFRPMMLC-UHFFFAOYSA-N 0 0 456.524 0.294 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc(Br)c1O ZINC000916201270 1068089128 /nfs/dbraw/zinc/08/91/28/1068089128.db2.gz JKWMQUINZCQWTB-UHFFFAOYSA-N 0 0 491.367 0.745 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc(OC)c1OC ZINC000916201311 1068089260 /nfs/dbraw/zinc/08/92/60/1068089260.db2.gz KEFWZRKMAJRUTN-UHFFFAOYSA-N 0 0 456.524 0.294 20 30 JCEDRN Cc1ncc(CO)c(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1O ZINC000916256390 1068092917 /nfs/dbraw/zinc/09/29/17/1068092917.db2.gz UWBXGCZVYABFOJ-UHFFFAOYSA-N 0 0 451.461 0.963 20 30 JCEDRN Cc1ncc(CO)c(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1O ZINC000916271214 1068093358 /nfs/dbraw/zinc/09/33/58/1068093358.db2.gz IAKIPGDXIBWCLL-UHFFFAOYSA-N 0 0 451.461 0.963 20 30 JCEDRN CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000916310208 1068094137 /nfs/dbraw/zinc/09/41/37/1068094137.db2.gz QOYRDSXOGNHCQQ-UHFFFAOYSA-N 0 0 469.633 0.618 20 30 JCEDRN COc1cc(C=NNC(=S)NCCCN2CCOCC2)ccc1OCC(=O)N1CCOCC1 ZINC000916310458 1068093977 /nfs/dbraw/zinc/09/39/77/1068093977.db2.gz UBGYNEMRGYQNLF-UHFFFAOYSA-N 0 0 479.603 0.453 20 30 JCEDRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCCCN1CCOCC1 ZINC000916312101 1068094025 /nfs/dbraw/zinc/09/40/25/1068094025.db2.gz YENQSQGYHPCEMV-AWEZNQCLSA-N 0 0 463.029 0.725 20 30 JCEDRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCCCN1CCOCC1 ZINC000916312102 1068093807 /nfs/dbraw/zinc/09/38/07/1068093807.db2.gz YENQSQGYHPCEMV-CQSZACIVSA-N 0 0 463.029 0.725 20 30 JCEDRN CNS(=O)(=O)c1ccc(C(C)N=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 ZINC000916332482 1068094485 /nfs/dbraw/zinc/09/44/85/1068094485.db2.gz XYHHKSMJZRODKT-UHFFFAOYSA-N 0 0 466.589 0.762 20 30 JCEDRN CN1CCN(S(=O)(=O)c2ccc(NN=C3c4cc5c(cc4NC3=O)OCCO5)nc2)CC1 ZINC000916332885 1068094364 /nfs/dbraw/zinc/09/43/64/1068094364.db2.gz IDFUQJYCFWHUIR-UHFFFAOYSA-N 0 0 458.500 0.557 20 30 JCEDRN CCNC(=O)COc1ccc(CN=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC ZINC000916333412 1068094516 /nfs/dbraw/zinc/09/45/16/1068094516.db2.gz UBILEWBUQOTFRI-UHFFFAOYSA-N 0 0 490.586 0.987 20 30 JCEDRN CC(N=Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000916333426 1068094437 /nfs/dbraw/zinc/09/44/37/1068094437.db2.gz UJJYCEMUGOPGGI-UHFFFAOYSA-N 0 0 452.562 0.501 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)CC2)cc1 ZINC000916394451 1068095385 /nfs/dbraw/zinc/09/53/85/1068095385.db2.gz UXCSBBLDAQGZKW-UHFFFAOYSA-N 0 0 452.500 0.750 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000916417625 1068100202 /nfs/dbraw/zinc/10/02/02/1068100202.db2.gz WZYXTZOVRUFEGJ-HNNXBMFYSA-N 0 0 468.557 0.597 20 30 JCEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000916417628 1068100105 /nfs/dbraw/zinc/10/01/05/1068100105.db2.gz WZYXTZOVRUFEGJ-OAHLLOKOSA-N 0 0 468.557 0.597 20 30 JCEDRN CS(=O)(=O)Nc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000916420492 1068100159 /nfs/dbraw/zinc/10/01/59/1068100159.db2.gz MNTALUYOWMULMQ-UHFFFAOYSA-N 0 0 451.482 0.634 20 30 JCEDRN O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1COc2ccccc2O1 ZINC000916420584 1068100753 /nfs/dbraw/zinc/10/07/53/1068100753.db2.gz PFEUETXXFDBXNW-AWEZNQCLSA-N 0 0 459.480 0.615 20 30 JCEDRN O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1COc2ccccc2O1 ZINC000916420585 1068100724 /nfs/dbraw/zinc/10/07/24/1068100724.db2.gz PFEUETXXFDBXNW-CQSZACIVSA-N 0 0 459.480 0.615 20 30 JCEDRN CS(=O)(=O)Nc1ccc(C(=O)COC(=O)CCN=C2NS(=O)(=O)c3ccccc32)cc1 ZINC000916420633 1068100786 /nfs/dbraw/zinc/10/07/86/1068100786.db2.gz RFEZYIYVWUAVCD-UHFFFAOYSA-N 0 0 465.509 0.913 20 30 JCEDRN CS(=O)(=O)Nc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000916421950 1068100780 /nfs/dbraw/zinc/10/07/80/1068100780.db2.gz QMOGFTHVHNMUAW-UHFFFAOYSA-N 0 0 451.482 0.634 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1F ZINC000916434739 1068103881 /nfs/dbraw/zinc/10/38/81/1068103881.db2.gz WLZRHDXFHBXFFT-UHFFFAOYSA-N 0 0 452.508 0.197 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000916476221 1068106702 /nfs/dbraw/zinc/10/67/02/1068106702.db2.gz MMKMDQCIKVTBER-UHFFFAOYSA-N 0 0 472.548 0.766 20 30 JCEDRN C[C@@H](OC(=O)CN=C1NS(=O)(=O)c2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000916486458 1068110127 /nfs/dbraw/zinc/11/01/27/1068110127.db2.gz SZJVYYKPWLQZTE-GFCCVEGCSA-N 0 0 465.509 0.911 20 30 JCEDRN C[C@H](OC(=O)CN=C1NS(=O)(=O)c2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000916486459 1068110136 /nfs/dbraw/zinc/11/01/36/1068110136.db2.gz SZJVYYKPWLQZTE-LBPRGKRZSA-N 0 0 465.509 0.911 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000916515885 1068113660 /nfs/dbraw/zinc/11/36/60/1068113660.db2.gz AIZFPKVCRXCQNP-UHFFFAOYSA-N 0 0 458.548 0.211 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000916516069 1068113823 /nfs/dbraw/zinc/11/38/23/1068113823.db2.gz CIKLDWRIDILWIO-UHFFFAOYSA-N 0 0 491.595 0.694 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 ZINC000916516361 1068113840 /nfs/dbraw/zinc/11/38/40/1068113840.db2.gz LWXSYMQIMPXYGC-UHFFFAOYSA-N 0 0 458.548 0.211 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)nc1 ZINC000916520230 1068115027 /nfs/dbraw/zinc/11/50/27/1068115027.db2.gz DUMLMZCUNPSPCC-UHFFFAOYSA-N 0 0 469.527 0.576 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000916520613 1068115539 /nfs/dbraw/zinc/11/55/39/1068115539.db2.gz KCYVHHSCOZDOIE-HOTGVXAUSA-N 0 0 451.553 0.046 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000916520615 1068115465 /nfs/dbraw/zinc/11/54/65/1068115465.db2.gz KCYVHHSCOZDOIE-HZPDHXFCSA-N 0 0 451.553 0.046 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000916520618 1068115669 /nfs/dbraw/zinc/11/56/69/1068115669.db2.gz KCYVHHSCOZDOIE-IYBDPMFKSA-N 0 0 451.553 0.046 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)c1 ZINC000916521023 1068115631 /nfs/dbraw/zinc/11/56/31/1068115631.db2.gz SAWMAUCNGHZAGD-UHFFFAOYSA-N 0 0 478.556 0.929 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000916521388 1068115606 /nfs/dbraw/zinc/11/56/06/1068115606.db2.gz DZBIDEROXAZTQL-UHFFFAOYSA-N 0 0 459.488 0.989 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000916521411 1068115686 /nfs/dbraw/zinc/11/56/86/1068115686.db2.gz FYQYQTAWQMTKJL-UHFFFAOYSA-N 0 0 459.488 0.989 20 30 JCEDRN C=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000916528619 1068116810 /nfs/dbraw/zinc/11/68/10/1068116810.db2.gz AXVAWYAUDMYKJK-UHFFFAOYSA-N 0 0 493.582 0.902 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)N(CC#N)c2ccccc2)c1 ZINC000916531663 1068118236 /nfs/dbraw/zinc/11/82/36/1068118236.db2.gz GWXAXJKBPHTNKH-UHFFFAOYSA-N 0 0 458.496 0.767 20 30 JCEDRN C[C@H](OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1(C#N)CCCCC1 ZINC000916533034 1068118743 /nfs/dbraw/zinc/11/87/43/1068118743.db2.gz FMMRBVKHDBAXQY-HNNXBMFYSA-N 0 0 464.544 0.941 20 30 JCEDRN C[C@@H](OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1(C#N)CCCCC1 ZINC000916533038 1068115572 /nfs/dbraw/zinc/11/55/72/1068115572.db2.gz FMMRBVKHDBAXQY-OAHLLOKOSA-N 0 0 464.544 0.941 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)O[C@H](C)C#N ZINC000916533523 1068119463 /nfs/dbraw/zinc/11/94/63/1068119463.db2.gz YWXMYXFDPMTCQX-CYBMUJFWSA-N 0 0 457.530 0.843 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)O[C@@H](C)C#N ZINC000916533524 1068119438 /nfs/dbraw/zinc/11/94/38/1068119438.db2.gz YWXMYXFDPMTCQX-ZDUSSCGKSA-N 0 0 457.530 0.843 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000916533661 1068119473 /nfs/dbraw/zinc/11/94/73/1068119473.db2.gz SQWSKGQLQGQWHO-JLTOFOAXSA-N 0 0 452.533 0.653 20 30 JCEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000916533662 1068119327 /nfs/dbraw/zinc/11/93/27/1068119327.db2.gz SQWSKGQLQGQWHO-VBKZILBWSA-N 0 0 452.533 0.653 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000916533663 1068119320 /nfs/dbraw/zinc/11/93/20/1068119320.db2.gz SQWSKGQLQGQWHO-VLIAUNLRSA-N 0 0 452.533 0.653 20 30 JCEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000916533664 1068119546 /nfs/dbraw/zinc/11/95/46/1068119546.db2.gz SQWSKGQLQGQWHO-XOBRGWDASA-N 0 0 452.533 0.653 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000916533803 1068120185 /nfs/dbraw/zinc/12/01/85/1068120185.db2.gz XNSJTUGCUDAVBJ-UHFFFAOYSA-N 0 0 464.544 0.895 20 30 JCEDRN Cc1nc(SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C ZINC000916538094 1068118716 /nfs/dbraw/zinc/11/87/16/1068118716.db2.gz YNWVASBVWBWRFX-CYBMUJFWSA-N 0 0 454.530 0.527 20 30 JCEDRN Cc1nc(SCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C ZINC000916538095 1068118839 /nfs/dbraw/zinc/11/88/39/1068118839.db2.gz YNWVASBVWBWRFX-ZDUSSCGKSA-N 0 0 454.530 0.527 20 30 JCEDRN C=CCn1c(SCC(=O)NC(C)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000916606144 1068125385 /nfs/dbraw/zinc/12/53/85/1068125385.db2.gz OJNJSERBKFEAOV-UHFFFAOYSA-N 0 0 465.557 0.907 20 30 JCEDRN CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000916606781 1068125458 /nfs/dbraw/zinc/12/54/58/1068125458.db2.gz LZQZRLIYWRAQSR-ZIAGYGMSSA-N 0 0 451.501 0.459 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)C1=O ZINC000916611463 1068126266 /nfs/dbraw/zinc/12/62/66/1068126266.db2.gz MAEKWIWTRPIHTR-DHDCSXOGSA-N 0 0 486.462 0.545 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)C1=O ZINC000916611464 1068126273 /nfs/dbraw/zinc/12/62/73/1068126273.db2.gz MAEKWIWTRPIHTR-OQLLNIDSSA-N 0 0 486.462 0.545 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)C1=O ZINC000916616664 1068127002 /nfs/dbraw/zinc/12/70/02/1068127002.db2.gz JVWTYWUBPLGISY-UHFFFAOYSA-N 0 0 461.500 0.853 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000916639953 1068129999 /nfs/dbraw/zinc/12/99/99/1068129999.db2.gz DISGXBLRMDEIIY-UHFFFAOYSA-N 0 0 469.527 0.576 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)C[C@H](C)O1 ZINC000916640217 1068130924 /nfs/dbraw/zinc/13/09/24/1068130924.db2.gz PAHUCELYBOEUFF-HOTGVXAUSA-N 0 0 451.553 0.046 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)C[C@@H](C)O1 ZINC000916640225 1068130927 /nfs/dbraw/zinc/13/09/27/1068130927.db2.gz PAHUCELYBOEUFF-HZPDHXFCSA-N 0 0 451.553 0.046 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)C[C@H](C)O1 ZINC000916640226 1068130829 /nfs/dbraw/zinc/13/08/29/1068130829.db2.gz PAHUCELYBOEUFF-IYBDPMFKSA-N 0 0 451.553 0.046 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000916641260 1068130757 /nfs/dbraw/zinc/13/07/57/1068130757.db2.gz ORJPGQSAGIUPDB-UHFFFAOYSA-N 0 0 459.488 0.989 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)c1 ZINC000916641346 1068130909 /nfs/dbraw/zinc/13/09/09/1068130909.db2.gz XNESWHORKHQNGJ-UHFFFAOYSA-N 0 0 478.556 0.929 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000916641348 1068130871 /nfs/dbraw/zinc/13/08/71/1068130871.db2.gz XNRTUUFJWXWCRZ-UHFFFAOYSA-N 0 0 459.488 0.989 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000916659631 1068133657 /nfs/dbraw/zinc/13/36/57/1068133657.db2.gz UTERLODKGVVFGQ-GOSISDBHSA-N 0 0 485.566 0.815 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000916659634 1068133866 /nfs/dbraw/zinc/13/38/66/1068133866.db2.gz UTERLODKGVVFGQ-SFHVURJKSA-N 0 0 485.566 0.815 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000916661620 1068133843 /nfs/dbraw/zinc/13/38/43/1068133843.db2.gz DWZKXMIZJFAAOF-GOSISDBHSA-N 0 0 489.598 0.577 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000916661621 1068133810 /nfs/dbraw/zinc/13/38/10/1068133810.db2.gz DWZKXMIZJFAAOF-SFHVURJKSA-N 0 0 489.598 0.577 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000916661635 1068133631 /nfs/dbraw/zinc/13/36/31/1068133631.db2.gz JPTJSYPABZMEKG-SFHVURJKSA-N 0 0 475.571 0.043 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCOC ZINC000916664548 1068134396 /nfs/dbraw/zinc/13/43/96/1068134396.db2.gz GBLIZXSEVHZJDQ-UHFFFAOYSA-N 0 0 473.551 0.373 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000916664551 1068134349 /nfs/dbraw/zinc/13/43/49/1068134349.db2.gz GFESUAJJHHXHAD-UHFFFAOYSA-N 0 0 464.503 0.864 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000916664595 1068134892 /nfs/dbraw/zinc/13/48/92/1068134892.db2.gz KTPMMAXPZKZBQD-UHFFFAOYSA-N 0 0 493.564 0.942 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000916664636 1068135014 /nfs/dbraw/zinc/13/50/14/1068135014.db2.gz OOCBGKNEBYTTBN-UHFFFAOYSA-N 0 0 475.574 0.803 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000916664721 1068135196 /nfs/dbraw/zinc/13/51/96/1068135196.db2.gz XWSDIOUJZKHLSG-UHFFFAOYSA-N 0 0 491.573 0.930 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000916674275 1068134401 /nfs/dbraw/zinc/13/44/01/1068134401.db2.gz XGXPYELSQLNORK-GOSISDBHSA-N 0 0 490.563 0.894 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000916674276 1068134385 /nfs/dbraw/zinc/13/43/85/1068134385.db2.gz XGXPYELSQLNORK-SFHVURJKSA-N 0 0 490.563 0.894 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000916676816 1068135050 /nfs/dbraw/zinc/13/50/50/1068135050.db2.gz UNESAWNSTIDRJD-UHFFFAOYSA-N 0 0 461.565 0.763 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000916676833 1068135641 /nfs/dbraw/zinc/13/56/41/1068135641.db2.gz VQNPMJHGKOPVAM-UHFFFAOYSA-N 0 0 462.553 0.276 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000916676971 1068135867 /nfs/dbraw/zinc/13/58/67/1068135867.db2.gz XLBZITAUVRCIRX-UHFFFAOYSA-N 0 0 461.565 0.763 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000916692257 1068135764 /nfs/dbraw/zinc/13/57/64/1068135764.db2.gz BPYQYJLTNYLJPO-HKOYGPOVSA-N 0 0 478.575 0.700 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000916692261 1068135684 /nfs/dbraw/zinc/13/56/84/1068135684.db2.gz BPYQYJLTNYLJPO-MOHJPFBDSA-N 0 0 478.575 0.700 20 30 JCEDRN CNC(=O)CN1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000916692359 1068135788 /nfs/dbraw/zinc/13/57/88/1068135788.db2.gz CNXVIMMLSYRGSD-HKOYGPOVSA-N 0 0 450.565 0.831 20 30 JCEDRN CNC(=O)CN1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000916692362 1068135661 /nfs/dbraw/zinc/13/56/61/1068135661.db2.gz CNXVIMMLSYRGSD-MOHJPFBDSA-N 0 0 450.565 0.831 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000916692807 1068135754 /nfs/dbraw/zinc/13/57/54/1068135754.db2.gz INXIBKSYHIMMAA-CLCOLTQESA-N 0 0 490.586 0.798 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000916692813 1068135830 /nfs/dbraw/zinc/13/58/30/1068135830.db2.gz INXIBKSYHIMMAA-LYBHJNIJSA-N 0 0 490.586 0.798 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000916692933 1068135850 /nfs/dbraw/zinc/13/58/50/1068135850.db2.gz JJCVMEBCMCKFID-JZJYNLBNSA-N 0 0 472.593 0.455 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000916692934 1068136704 /nfs/dbraw/zinc/13/67/04/1068136704.db2.gz JJCVMEBCMCKFID-LVZFUZTISA-N 0 0 472.593 0.455 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC000916692953 1068136679 /nfs/dbraw/zinc/13/66/79/1068136679.db2.gz JZSCYQITPSFAEI-JZJYNLBNSA-N 0 0 457.578 0.999 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC000916692954 1068136698 /nfs/dbraw/zinc/13/66/98/1068136698.db2.gz JZSCYQITPSFAEI-LVZFUZTISA-N 0 0 457.578 0.999 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000916693030 1068136650 /nfs/dbraw/zinc/13/66/50/1068136650.db2.gz LJZAOORBGLUVCA-NKFKGCMQSA-N 0 0 450.565 0.785 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000916693031 1068136523 /nfs/dbraw/zinc/13/65/23/1068136523.db2.gz LJZAOORBGLUVCA-PTGBLXJZSA-N 0 0 450.565 0.785 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000916693328 1068136681 /nfs/dbraw/zinc/13/66/81/1068136681.db2.gz MZGLKNWMCDFIJO-HKOYGPOVSA-N 0 0 476.559 0.454 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000916693329 1068136553 /nfs/dbraw/zinc/13/65/53/1068136553.db2.gz MZGLKNWMCDFIJO-MOHJPFBDSA-N 0 0 476.559 0.454 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000916694291 1068137311 /nfs/dbraw/zinc/13/73/11/1068137311.db2.gz RRSZVVSMNHOFRJ-CLCOLTQESA-N 0 0 462.576 0.928 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000916694293 1068137220 /nfs/dbraw/zinc/13/72/20/1068137220.db2.gz RRSZVVSMNHOFRJ-LYBHJNIJSA-N 0 0 462.576 0.928 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000916694433 1068137327 /nfs/dbraw/zinc/13/73/27/1068137327.db2.gz TWITVVMEYQQLJQ-GFMRDNFCSA-N 0 0 492.602 0.508 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000916694434 1068137320 /nfs/dbraw/zinc/13/73/20/1068137320.db2.gz TWITVVMEYQQLJQ-HIXSDJFHSA-N 0 0 492.602 0.508 20 30 JCEDRN CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000916694749 1068137195 /nfs/dbraw/zinc/13/71/95/1068137195.db2.gz VLOYRVHTMHBVRA-NKFKGCMQSA-N 0 0 450.565 0.785 20 30 JCEDRN CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000916694752 1068137213 /nfs/dbraw/zinc/13/72/13/1068137213.db2.gz VLOYRVHTMHBVRA-PTGBLXJZSA-N 0 0 450.565 0.785 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 ZINC000916702990 1068138635 /nfs/dbraw/zinc/13/86/35/1068138635.db2.gz BJCRJPLWSGYGPP-UHFFFAOYSA-N 0 0 456.524 0.863 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 ZINC000916703282 1068139199 /nfs/dbraw/zinc/13/91/99/1068139199.db2.gz XOIVMJORTGQZQR-UHFFFAOYSA-N 0 0 454.508 0.499 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000916703363 1068139286 /nfs/dbraw/zinc/13/92/86/1068139286.db2.gz HTMABKMUDDLXGV-UHFFFAOYSA-N 0 0 471.535 0.995 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 ZINC000916703483 1068139209 /nfs/dbraw/zinc/13/92/09/1068139209.db2.gz UTOIBFVCSFEJTQ-UHFFFAOYSA-N 0 0 468.535 0.889 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1 ZINC000916703732 1068139249 /nfs/dbraw/zinc/13/92/49/1068139249.db2.gz CSEIJDZHJZQVJX-UHFFFAOYSA-N 0 0 468.535 0.889 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000916710075 1068138626 /nfs/dbraw/zinc/13/86/26/1068138626.db2.gz AXHJXJIJDSXTQF-JZJYNLBNSA-N 0 0 472.593 0.455 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000916710078 1068138645 /nfs/dbraw/zinc/13/86/45/1068138645.db2.gz AXHJXJIJDSXTQF-LVZFUZTISA-N 0 0 472.593 0.455 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000916710293 1068138663 /nfs/dbraw/zinc/13/86/63/1068138663.db2.gz FQINQECLFCPJPF-CLCOLTQESA-N 0 0 490.586 0.798 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000916710294 1068138554 /nfs/dbraw/zinc/13/85/54/1068138554.db2.gz FQINQECLFCPJPF-LYBHJNIJSA-N 0 0 490.586 0.798 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCC(=O)N2CCN(C)CC2)cc1 ZINC000916710567 1068138493 /nfs/dbraw/zinc/13/84/93/1068138493.db2.gz LLGFEABORZPCSZ-NKFKGCMQSA-N 0 0 450.565 0.785 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCC(=O)N2CCN(C)CC2)cc1 ZINC000916710569 1068138655 /nfs/dbraw/zinc/13/86/55/1068138655.db2.gz LLGFEABORZPCSZ-PTGBLXJZSA-N 0 0 450.565 0.785 20 30 JCEDRN CNC(=O)CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000916711257 1068138568 /nfs/dbraw/zinc/13/85/68/1068138568.db2.gz KRDFYOAHRHSJRI-HKOYGPOVSA-N 0 0 450.565 0.831 20 30 JCEDRN CNC(=O)CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000916711258 1068138605 /nfs/dbraw/zinc/13/86/05/1068138605.db2.gz KRDFYOAHRHSJRI-MOHJPFBDSA-N 0 0 450.565 0.831 20 30 JCEDRN CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000916711519 1068138668 /nfs/dbraw/zinc/13/86/68/1068138668.db2.gz OQWYPDVABIGEMS-NKFKGCMQSA-N 0 0 450.565 0.785 20 30 JCEDRN CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000916711520 1068138619 /nfs/dbraw/zinc/13/86/19/1068138619.db2.gz OQWYPDVABIGEMS-PTGBLXJZSA-N 0 0 450.565 0.785 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000916711774 1068138650 /nfs/dbraw/zinc/13/86/50/1068138650.db2.gz QTTHSQLBMVDIET-JZJYNLBNSA-N 0 0 457.578 0.999 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000916711775 1068138455 /nfs/dbraw/zinc/13/84/55/1068138455.db2.gz QTTHSQLBMVDIET-LVZFUZTISA-N 0 0 457.578 0.999 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000916712026 1068138429 /nfs/dbraw/zinc/13/84/29/1068138429.db2.gz WKVMYDOFQIHLTK-HKOYGPOVSA-N 0 0 476.559 0.454 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000916712027 1068138677 /nfs/dbraw/zinc/13/86/77/1068138677.db2.gz WKVMYDOFQIHLTK-MOHJPFBDSA-N 0 0 476.559 0.454 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000916714420 1068140088 /nfs/dbraw/zinc/14/00/88/1068140088.db2.gz DPJTWXXFFONISR-HKOYGPOVSA-N 0 0 478.575 0.700 20 30 JCEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000916714422 1068139938 /nfs/dbraw/zinc/13/99/38/1068139938.db2.gz DPJTWXXFFONISR-MOHJPFBDSA-N 0 0 478.575 0.700 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000916714938 1068139959 /nfs/dbraw/zinc/13/99/59/1068139959.db2.gz LXMIXWPKQPYMQY-GFMRDNFCSA-N 0 0 492.602 0.508 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000916714939 1068140000 /nfs/dbraw/zinc/14/00/00/1068140000.db2.gz LXMIXWPKQPYMQY-HIXSDJFHSA-N 0 0 492.602 0.508 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000916716698 1068139854 /nfs/dbraw/zinc/13/98/54/1068139854.db2.gz YMPXOZPPGBXOEE-CLCOLTQESA-N 0 0 462.576 0.928 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000916716699 1068140034 /nfs/dbraw/zinc/14/00/34/1068140034.db2.gz YMPXOZPPGBXOEE-LYBHJNIJSA-N 0 0 462.576 0.928 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 ZINC000916738061 1068141858 /nfs/dbraw/zinc/14/18/58/1068141858.db2.gz RELMGQORXSKFKJ-UHFFFAOYSA-N 0 0 496.592 0.803 20 30 JCEDRN COCCN1C(=O)c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2S1(=O)=O ZINC000916770217 1068145882 /nfs/dbraw/zinc/14/58/82/1068145882.db2.gz NTCLRCRRNOWOTM-UHFFFAOYSA-N 0 0 455.496 0.707 20 30 JCEDRN NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000916826996 1068168364 /nfs/dbraw/zinc/16/83/64/1068168364.db2.gz SJNSDJFOMXUYNY-NRFANRHFSA-N 0 0 469.567 0.876 20 30 JCEDRN NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000916826997 1068168854 /nfs/dbraw/zinc/16/88/54/1068168854.db2.gz SJNSDJFOMXUYNY-OAQYLSRUSA-N 0 0 469.567 0.876 20 30 JCEDRN Cn1c2ncn(CC(=O)[C@@H](C#N)c3nc(=O)c4c5c(sc4[nH]3)CCCC5)c2c(=O)n(C)c1=O ZINC000916846869 1068172346 /nfs/dbraw/zinc/17/23/46/1068172346.db2.gz HBBHJKIANLPBPV-LLVKDONJSA-N 0 0 465.495 0.899 20 30 JCEDRN Cn1c2ncn(CC(=O)[C@H](C#N)c3nc(=O)c4c5c(sc4[nH]3)CCCC5)c2c(=O)n(C)c1=O ZINC000916846872 1068172201 /nfs/dbraw/zinc/17/22/01/1068172201.db2.gz HBBHJKIANLPBPV-NSHDSACASA-N 0 0 465.495 0.899 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)c1nc(=O)c3c4c(sc3[nH]1)CCCC4)c(=O)n2C ZINC000916846930 1068172374 /nfs/dbraw/zinc/17/23/74/1068172374.db2.gz IADPIDRGQMNTNY-LLVKDONJSA-N 0 0 465.495 0.899 20 30 JCEDRN Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)c1nc(=O)c3c4c(sc3[nH]1)CCCC4)c(=O)n2C ZINC000916846931 1068172331 /nfs/dbraw/zinc/17/23/31/1068172331.db2.gz IADPIDRGQMNTNY-NSHDSACASA-N 0 0 465.495 0.899 20 30 JCEDRN Cn1c(CCC(=O)[C@H](C#N)C(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000916866761 1068172385 /nfs/dbraw/zinc/17/23/85/1068172385.db2.gz FVYJQCUDTQUOQD-KRWDZBQOSA-N 0 0 473.555 0.858 20 30 JCEDRN Cn1c(CCC(=O)[C@@H](C#N)C(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000916866762 1068172356 /nfs/dbraw/zinc/17/23/56/1068172356.db2.gz FVYJQCUDTQUOQD-QGZVFWFLSA-N 0 0 473.555 0.858 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000916874900 1068173140 /nfs/dbraw/zinc/17/31/40/1068173140.db2.gz HNFOUFWNBHCSGA-GOSISDBHSA-N 0 0 498.989 0.815 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000916874902 1068173131 /nfs/dbraw/zinc/17/31/31/1068173131.db2.gz HNFOUFWNBHCSGA-SFHVURJKSA-N 0 0 498.989 0.815 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000916874966 1068173003 /nfs/dbraw/zinc/17/30/03/1068173003.db2.gz IRGAOZNTAPNARX-KRWDZBQOSA-N 0 0 491.570 0.388 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000916874967 1068173069 /nfs/dbraw/zinc/17/30/69/1068173069.db2.gz IRGAOZNTAPNARX-QGZVFWFLSA-N 0 0 491.570 0.388 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000916874984 1068172860 /nfs/dbraw/zinc/17/28/60/1068172860.db2.gz JKFMOIYOOABXHI-GOSISDBHSA-N 0 0 464.544 0.161 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000916874985 1068172839 /nfs/dbraw/zinc/17/28/39/1068172839.db2.gz JKFMOIYOOABXHI-SFHVURJKSA-N 0 0 464.544 0.161 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000916874988 1068173122 /nfs/dbraw/zinc/17/31/22/1068173122.db2.gz JOIWICXJWGCECE-KRWDZBQOSA-N 0 0 465.528 0.735 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000916875073 1068172981 /nfs/dbraw/zinc/17/29/81/1068172981.db2.gz JOIWICXJWGCECE-QGZVFWFLSA-N 0 0 465.528 0.735 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000916876004 1068172963 /nfs/dbraw/zinc/17/29/63/1068172963.db2.gz YCMFSRLMDLZPKN-KRWDZBQOSA-N 0 0 467.544 0.966 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000916876006 1068172903 /nfs/dbraw/zinc/17/29/03/1068172903.db2.gz YCMFSRLMDLZPKN-QGZVFWFLSA-N 0 0 467.544 0.966 20 30 JCEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000916889066 1068172871 /nfs/dbraw/zinc/17/28/71/1068172871.db2.gz AUZBSFJSMNNEGN-GOSISDBHSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000916889067 1068173467 /nfs/dbraw/zinc/17/34/67/1068173467.db2.gz AUZBSFJSMNNEGN-SFHVURJKSA-N 0 0 456.480 0.777 20 30 JCEDRN COCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000916891850 1068173459 /nfs/dbraw/zinc/17/34/59/1068173459.db2.gz GNAQMTTXYHZCDR-KRWDZBQOSA-N 0 0 484.962 0.425 20 30 JCEDRN COCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000916891858 1068173426 /nfs/dbraw/zinc/17/34/26/1068173426.db2.gz GNAQMTTXYHZCDR-QGZVFWFLSA-N 0 0 484.962 0.425 20 30 JCEDRN CCn1c(CCC(=O)[C@H](C#N)C(=O)NCCOC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000916892190 1068173393 /nfs/dbraw/zinc/17/33/93/1068173393.db2.gz ITLGLYRKJBPOPW-KRWDZBQOSA-N 0 0 491.570 0.481 20 30 JCEDRN CCn1c(CCC(=O)[C@@H](C#N)C(=O)NCCOC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000916892198 1068173613 /nfs/dbraw/zinc/17/36/13/1068173613.db2.gz ITLGLYRKJBPOPW-QGZVFWFLSA-N 0 0 491.570 0.481 20 30 JCEDRN COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000916893223 1068173497 /nfs/dbraw/zinc/17/34/97/1068173497.db2.gz XYNGJMPDDAGAAE-INIZCTEOSA-N 0 0 451.501 0.345 20 30 JCEDRN COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000916893226 1068173572 /nfs/dbraw/zinc/17/35/72/1068173572.db2.gz XYNGJMPDDAGAAE-MRXNPFEDSA-N 0 0 451.501 0.345 20 30 JCEDRN COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000916893340 1068173576 /nfs/dbraw/zinc/17/35/76/1068173576.db2.gz ZJPHZGZONZCOBF-INIZCTEOSA-N 0 0 453.517 0.576 20 30 JCEDRN COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000916893343 1068173604 /nfs/dbraw/zinc/17/36/04/1068173604.db2.gz ZJPHZGZONZCOBF-MRXNPFEDSA-N 0 0 453.517 0.576 20 30 JCEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 ZINC000916893477 1068173501 /nfs/dbraw/zinc/17/35/01/1068173501.db2.gz CMWWJMKKTPYKBQ-GOSISDBHSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 ZINC000916893478 1068173620 /nfs/dbraw/zinc/17/36/20/1068173620.db2.gz CMWWJMKKTPYKBQ-SFHVURJKSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000916903418 1068173483 /nfs/dbraw/zinc/17/34/83/1068173483.db2.gz SFXDRHBJMPSIGH-LLVKDONJSA-N 0 0 458.862 0.752 20 30 JCEDRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000916903419 1068173475 /nfs/dbraw/zinc/17/34/75/1068173475.db2.gz SFXDRHBJMPSIGH-NSHDSACASA-N 0 0 458.862 0.752 20 30 JCEDRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000916903996 1068173440 /nfs/dbraw/zinc/17/34/40/1068173440.db2.gz YVNNDCYSCLAMGN-LLVKDONJSA-N 0 0 458.862 0.752 20 30 JCEDRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000916903998 1068173518 /nfs/dbraw/zinc/17/35/18/1068173518.db2.gz YVNNDCYSCLAMGN-NSHDSACASA-N 0 0 458.862 0.752 20 30 JCEDRN C=CCNC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000916918058 1068174129 /nfs/dbraw/zinc/17/41/29/1068174129.db2.gz PKJXXDKZQVKZAJ-INIZCTEOSA-N 0 0 459.528 0.538 20 30 JCEDRN C=CCNC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000916918059 1068174200 /nfs/dbraw/zinc/17/42/00/1068174200.db2.gz PKJXXDKZQVKZAJ-MRXNPFEDSA-N 0 0 459.528 0.538 20 30 JCEDRN C=CCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000916918774 1068174267 /nfs/dbraw/zinc/17/42/67/1068174267.db2.gz PWPVWYCAXPFMJX-KRWDZBQOSA-N 0 0 466.947 0.964 20 30 JCEDRN C=CCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000916918780 1068174289 /nfs/dbraw/zinc/17/42/89/1068174289.db2.gz PWPVWYCAXPFMJX-QGZVFWFLSA-N 0 0 466.947 0.964 20 30 JCEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC ZINC000916922967 1068174181 /nfs/dbraw/zinc/17/41/81/1068174181.db2.gz HNHRDUXALFGEFQ-INIZCTEOSA-N 0 0 471.491 0.916 20 30 JCEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC ZINC000916922968 1068174101 /nfs/dbraw/zinc/17/41/01/1068174101.db2.gz HNHRDUXALFGEFQ-MRXNPFEDSA-N 0 0 471.491 0.916 20 30 JCEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1OC ZINC000916922969 1068174294 /nfs/dbraw/zinc/17/42/94/1068174294.db2.gz HNLVKYNURHELJJ-BRWVUGGUSA-N 0 0 477.539 0.107 20 30 JCEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1OC ZINC000916922970 1068174171 /nfs/dbraw/zinc/17/41/71/1068174171.db2.gz HNLVKYNURHELJJ-GVDBMIGSSA-N 0 0 477.539 0.107 20 30 JCEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1OC ZINC000916922971 1068174208 /nfs/dbraw/zinc/17/42/08/1068174208.db2.gz HNLVKYNURHELJJ-IXDOHACOSA-N 0 0 477.539 0.107 20 30 JCEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1OC ZINC000916922972 1068174232 /nfs/dbraw/zinc/17/42/32/1068174232.db2.gz HNLVKYNURHELJJ-YESZJQIVSA-N 0 0 477.539 0.107 20 30 JCEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)cc1OC ZINC000916923176 1068174218 /nfs/dbraw/zinc/17/42/18/1068174218.db2.gz JLMVNPIEIIRVRF-KRWDZBQOSA-N 0 0 460.512 0.787 20 30 JCEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)cc1OC ZINC000916923182 1068174156 /nfs/dbraw/zinc/17/41/56/1068174156.db2.gz JLMVNPIEIIRVRF-QGZVFWFLSA-N 0 0 460.512 0.787 20 30 JCEDRN COc1ccc(CCNC(=O)C(C#N)=C(O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1OC ZINC000916925187 1068174948 /nfs/dbraw/zinc/17/49/48/1068174948.db2.gz ZILDSHOZFFSNRV-INIZCTEOSA-N 0 0 458.496 0.569 20 30 JCEDRN COc1ccc(CCNC(=O)C(C#N)=C(O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1OC ZINC000916925188 1068174940 /nfs/dbraw/zinc/17/49/40/1068174940.db2.gz ZILDSHOZFFSNRV-MRXNPFEDSA-N 0 0 458.496 0.569 20 30 JCEDRN Cn1c(CCC(=O)[C@H](C#N)C(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000916926932 1068174863 /nfs/dbraw/zinc/17/48/63/1068174863.db2.gz HBLALCOGBAXUIH-INIZCTEOSA-N 0 0 459.528 0.514 20 30 JCEDRN Cn1c(CCC(=O)[C@@H](C#N)C(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000916926933 1068174830 /nfs/dbraw/zinc/17/48/30/1068174830.db2.gz HBLALCOGBAXUIH-MRXNPFEDSA-N 0 0 459.528 0.514 20 30 JCEDRN CCn1c(CCC(=O)[C@H](C#N)C(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000916927538 1068174971 /nfs/dbraw/zinc/17/49/71/1068174971.db2.gz WBTNKOSBXWGJDR-KRWDZBQOSA-N 0 0 473.555 0.997 20 30 JCEDRN CCn1c(CCC(=O)[C@@H](C#N)C(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000916927539 1068174822 /nfs/dbraw/zinc/17/48/22/1068174822.db2.gz WBTNKOSBXWGJDR-QGZVFWFLSA-N 0 0 473.555 0.997 20 30 JCEDRN N#C[C@@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CC1 ZINC000916927601 1068174311 /nfs/dbraw/zinc/17/43/11/1068174311.db2.gz YJARQZAUVYSCLE-KRWDZBQOSA-N 0 0 466.947 0.941 20 30 JCEDRN N#C[C@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CC1 ZINC000916927606 1068174241 /nfs/dbraw/zinc/17/42/41/1068174241.db2.gz YJARQZAUVYSCLE-QGZVFWFLSA-N 0 0 466.947 0.941 20 30 JCEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000916931921 1068174902 /nfs/dbraw/zinc/17/49/02/1068174902.db2.gz WVZNANOPGYKMEV-INIZCTEOSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000916931924 1068174886 /nfs/dbraw/zinc/17/48/86/1068174886.db2.gz WVZNANOPGYKMEV-MRXNPFEDSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000916933063 1068174968 /nfs/dbraw/zinc/17/49/68/1068174968.db2.gz MATQJZQHOMQNKX-CYBMUJFWSA-N 0 0 454.443 0.189 20 30 JCEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000916933064 1068174922 /nfs/dbraw/zinc/17/49/22/1068174922.db2.gz MATQJZQHOMQNKX-ZDUSSCGKSA-N 0 0 454.443 0.189 20 30 JCEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1OC ZINC000916933176 1068174953 /nfs/dbraw/zinc/17/49/53/1068174953.db2.gz AOPQVZKERRKCFQ-KRWDZBQOSA-N 0 0 486.506 0.785 20 30 JCEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1OC ZINC000916933177 1068174843 /nfs/dbraw/zinc/17/48/43/1068174843.db2.gz AOPQVZKERRKCFQ-QGZVFWFLSA-N 0 0 486.506 0.785 20 30 JCEDRN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000916933685 1068174855 /nfs/dbraw/zinc/17/48/55/1068174855.db2.gz IYQUOZCKVYWLNQ-INIZCTEOSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000916933686 1068174962 /nfs/dbraw/zinc/17/49/62/1068174962.db2.gz IYQUOZCKVYWLNQ-MRXNPFEDSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1OC ZINC000916935715 1068174874 /nfs/dbraw/zinc/17/48/74/1068174874.db2.gz UEAMXGLQMONSRN-KRWDZBQOSA-N 0 0 486.506 0.785 20 30 JCEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1OC ZINC000916935716 1068175554 /nfs/dbraw/zinc/17/55/54/1068175554.db2.gz UEAMXGLQMONSRN-QGZVFWFLSA-N 0 0 486.506 0.785 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000916938177 1068175428 /nfs/dbraw/zinc/17/54/28/1068175428.db2.gz HWMINDUZMBQZQD-CVEARBPZSA-N 0 0 474.495 0.676 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000916938181 1068175473 /nfs/dbraw/zinc/17/54/73/1068175473.db2.gz HWMINDUZMBQZQD-HOTGVXAUSA-N 0 0 474.495 0.676 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000916938182 1068175416 /nfs/dbraw/zinc/17/54/16/1068175416.db2.gz HWMINDUZMBQZQD-HZPDHXFCSA-N 0 0 474.495 0.676 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000916938183 1068175467 /nfs/dbraw/zinc/17/54/67/1068175467.db2.gz HWMINDUZMBQZQD-JKSUJKDBSA-N 0 0 474.495 0.676 20 30 JCEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl ZINC000916938854 1068174930 /nfs/dbraw/zinc/17/49/30/1068174930.db2.gz OFCVHIUSYUVPDL-GFCCVEGCSA-N 0 0 458.862 0.833 20 30 JCEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl ZINC000916938858 1068175436 /nfs/dbraw/zinc/17/54/36/1068175436.db2.gz OFCVHIUSYUVPDL-LBPRGKRZSA-N 0 0 458.862 0.833 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000916941983 1068176013 /nfs/dbraw/zinc/17/60/13/1068176013.db2.gz CMDNWZRWSMUBMC-BHYGNILZSA-N 0 0 461.496 0.546 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000916941986 1068176167 /nfs/dbraw/zinc/17/61/67/1068176167.db2.gz CMDNWZRWSMUBMC-DJIMGWMZSA-N 0 0 461.496 0.546 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000916941987 1068176126 /nfs/dbraw/zinc/17/61/26/1068176126.db2.gz CMDNWZRWSMUBMC-HYVNUMGLSA-N 0 0 461.496 0.546 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000916941989 1068176116 /nfs/dbraw/zinc/17/61/16/1068176116.db2.gz CMDNWZRWSMUBMC-USXIJHARSA-N 0 0 461.496 0.546 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000916942679 1068176064 /nfs/dbraw/zinc/17/60/64/1068176064.db2.gz MUMWXBYZBRTSTK-IBGZPJMESA-N 0 0 498.517 0.945 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000916942680 1068176091 /nfs/dbraw/zinc/17/60/91/1068176091.db2.gz MUMWXBYZBRTSTK-LJQANCHMSA-N 0 0 498.517 0.945 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000916942857 1068176105 /nfs/dbraw/zinc/17/61/05/1068176105.db2.gz OGICGQLSYPPCLU-HNNXBMFYSA-N 0 0 466.454 0.348 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000916942858 1068176058 /nfs/dbraw/zinc/17/60/58/1068176058.db2.gz OGICGQLSYPPCLU-OAHLLOKOSA-N 0 0 466.454 0.348 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000916943793 1068176150 /nfs/dbraw/zinc/17/61/50/1068176150.db2.gz YRVWYTHHRLONJZ-IBGZPJMESA-N 0 0 498.517 0.945 20 30 JCEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000916943794 1068176034 /nfs/dbraw/zinc/17/60/34/1068176034.db2.gz YRVWYTHHRLONJZ-LJQANCHMSA-N 0 0 498.517 0.945 20 30 JCEDRN CC(C)NC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000916945939 1068175514 /nfs/dbraw/zinc/17/55/14/1068175514.db2.gz ZINSAACSEOARSG-INIZCTEOSA-N 0 0 461.544 0.760 20 30 JCEDRN CC(C)NC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000916945940 1068175483 /nfs/dbraw/zinc/17/54/83/1068175483.db2.gz ZINSAACSEOARSG-MRXNPFEDSA-N 0 0 461.544 0.760 20 30 JCEDRN Cn1ncc2c1ncn(CC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N3CCCCC3)c1)c2=O ZINC000916948948 1068175525 /nfs/dbraw/zinc/17/55/25/1068175525.db2.gz INLKVZZWKYDACH-KRWDZBQOSA-N 0 0 497.537 0.652 20 30 JCEDRN Cn1ncc2c1ncn(CC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N3CCCCC3)c1)c2=O ZINC000916948949 1068175506 /nfs/dbraw/zinc/17/55/06/1068175506.db2.gz INLKVZZWKYDACH-QGZVFWFLSA-N 0 0 497.537 0.652 20 30 JCEDRN Cn1cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O ZINC000916949172 1068176121 /nfs/dbraw/zinc/17/61/21/1068176121.db2.gz KNPYVNKIOOBUSB-JBVUFVISSA-N 0 0 499.549 0.619 20 30 JCEDRN Cn1cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O ZINC000916949173 1068176110 /nfs/dbraw/zinc/17/61/10/1068176110.db2.gz KNPYVNKIOOBUSB-VJIACCKLSA-N 0 0 499.549 0.619 20 30 JCEDRN Cn1cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O ZINC000916949174 1068175994 /nfs/dbraw/zinc/17/59/94/1068175994.db2.gz KNPYVNKIOOBUSB-YXBWYFRISA-N 0 0 499.549 0.619 20 30 JCEDRN Cn1cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O ZINC000916949175 1068176053 /nfs/dbraw/zinc/17/60/53/1068176053.db2.gz KNPYVNKIOOBUSB-ZBTAVZRMSA-N 0 0 499.549 0.619 20 30 JCEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000916949477 1068176049 /nfs/dbraw/zinc/17/60/49/1068176049.db2.gz CQRGLRAYCWPXRU-GOSISDBHSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000916949479 1068176023 /nfs/dbraw/zinc/17/60/23/1068176023.db2.gz CQRGLRAYCWPXRU-SFHVURJKSA-N 0 0 456.480 0.777 20 30 JCEDRN CN(CC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O ZINC000916949586 1068175390 /nfs/dbraw/zinc/17/53/90/1068175390.db2.gz NXMYTZAELNNJBT-INIZCTEOSA-N 0 0 456.546 0.400 20 30 JCEDRN CN(CC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O ZINC000916949587 1068175444 /nfs/dbraw/zinc/17/54/44/1068175444.db2.gz NXMYTZAELNNJBT-MRXNPFEDSA-N 0 0 456.546 0.400 20 30 JCEDRN CCN1CCN(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)C1=O ZINC000916952418 1068176018 /nfs/dbraw/zinc/17/60/18/1068176018.db2.gz FCOIZQSTWDPPRB-GOSISDBHSA-N 0 0 489.554 0.199 20 30 JCEDRN CCN1CCN(CC(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)C1=O ZINC000916952421 1068176639 /nfs/dbraw/zinc/17/66/39/1068176639.db2.gz FCOIZQSTWDPPRB-SFHVURJKSA-N 0 0 489.554 0.199 20 30 JCEDRN Cn1c(=O)ccn(CC(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O ZINC000916952429 1068176698 /nfs/dbraw/zinc/17/66/98/1068176698.db2.gz FJVRTWBJPNXDMR-KRWDZBQOSA-N 0 0 473.511 0.069 20 30 JCEDRN Cn1c(=O)ccn(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O ZINC000916952430 1068176665 /nfs/dbraw/zinc/17/66/65/1068176665.db2.gz FJVRTWBJPNXDMR-QGZVFWFLSA-N 0 0 473.511 0.069 20 30 JCEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000916952640 1068176679 /nfs/dbraw/zinc/17/66/79/1068176679.db2.gz MLNXZHNZCNJRBV-GOSISDBHSA-N 0 0 456.480 0.777 20 30 JCEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000916952641 1068176720 /nfs/dbraw/zinc/17/67/20/1068176720.db2.gz MLNXZHNZCNJRBV-SFHVURJKSA-N 0 0 456.480 0.777 20 30 JCEDRN Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O ZINC000916953146 1068176688 /nfs/dbraw/zinc/17/66/88/1068176688.db2.gz KEVQDUSPSUWIMT-HNNXBMFYSA-N 0 0 459.484 0.622 20 30 JCEDRN Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O ZINC000916953155 1068176710 /nfs/dbraw/zinc/17/67/10/1068176710.db2.gz KEVQDUSPSUWIMT-OAHLLOKOSA-N 0 0 459.484 0.622 20 30 JCEDRN Cc1c(NC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C ZINC000916958851 1068176714 /nfs/dbraw/zinc/17/67/14/1068176714.db2.gz OEJSOHVNDTYAII-GOSISDBHSA-N 0 0 482.522 0.848 20 30 JCEDRN Cc1c(NC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C ZINC000916958856 1068176731 /nfs/dbraw/zinc/17/67/31/1068176731.db2.gz OEJSOHVNDTYAII-SFHVURJKSA-N 0 0 482.522 0.848 20 30 JCEDRN Cc1c(NC(=O)[C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)n(-c2ccccc2)n1C ZINC000916960010 1068177110 /nfs/dbraw/zinc/17/71/10/1068177110.db2.gz AXWALFQSSAJMLI-KRWDZBQOSA-N 0 0 480.506 0.629 20 30 JCEDRN Cc1c(NC(=O)[C@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)n(-c2ccccc2)n1C ZINC000916960011 1068177083 /nfs/dbraw/zinc/17/70/83/1068177083.db2.gz AXWALFQSSAJMLI-QGZVFWFLSA-N 0 0 480.506 0.629 20 30 JCEDRN Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000916960645 1068177851 /nfs/dbraw/zinc/17/78/51/1068177851.db2.gz GQKXETYHEDVXFF-INIZCTEOSA-N 0 0 464.482 0.996 20 30 JCEDRN Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000916960646 1068177893 /nfs/dbraw/zinc/17/78/93/1068177893.db2.gz GQKXETYHEDVXFF-MRXNPFEDSA-N 0 0 464.482 0.996 20 30 JCEDRN Cc1c(NC(=O)[C@@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000916961347 1068178351 /nfs/dbraw/zinc/17/83/51/1068178351.db2.gz OZUDEEQMENQQKF-KRWDZBQOSA-N 0 0 457.450 0.937 20 30 JCEDRN Cc1c(NC(=O)[C@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000916961350 1068178305 /nfs/dbraw/zinc/17/83/05/1068178305.db2.gz OZUDEEQMENQQKF-QGZVFWFLSA-N 0 0 457.450 0.937 20 30 JCEDRN Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000916961368 1068178316 /nfs/dbraw/zinc/17/83/16/1068178316.db2.gz PITDAYVYLJEYDY-KRWDZBQOSA-N 0 0 493.501 0.977 20 30 JCEDRN Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000916961369 1068178226 /nfs/dbraw/zinc/17/82/26/1068178226.db2.gz PITDAYVYLJEYDY-QGZVFWFLSA-N 0 0 493.501 0.977 20 30 JCEDRN Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000916961435 1068178180 /nfs/dbraw/zinc/17/81/80/1068178180.db2.gz QMZKYKOMTQHYPO-HJPURHCSSA-N 0 0 464.482 0.852 20 30 JCEDRN Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000916961437 1068178328 /nfs/dbraw/zinc/17/83/28/1068178328.db2.gz QMZKYKOMTQHYPO-MWTRTKDXSA-N 0 0 464.482 0.852 20 30 JCEDRN Cc1c(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000916961438 1068178240 /nfs/dbraw/zinc/17/82/40/1068178240.db2.gz QMZKYKOMTQHYPO-QMHKHESXSA-N 0 0 464.482 0.852 20 30 JCEDRN Cc1c(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000916961440 1068178263 /nfs/dbraw/zinc/17/82/63/1068178263.db2.gz QMZKYKOMTQHYPO-WAIKUNEKSA-N 0 0 464.482 0.852 20 30 JCEDRN N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000916964142 1068179111 /nfs/dbraw/zinc/17/91/11/1068179111.db2.gz AZGMGLFAMQLSMD-KRWDZBQOSA-N 0 0 484.490 0.539 20 30 JCEDRN N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000916964143 1068178954 /nfs/dbraw/zinc/17/89/54/1068178954.db2.gz AZGMGLFAMQLSMD-QGZVFWFLSA-N 0 0 484.490 0.539 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000916965441 1068179664 /nfs/dbraw/zinc/17/96/64/1068179664.db2.gz MEKMVCSWLNZCDI-INIZCTEOSA-N 0 0 474.495 0.778 20 30 JCEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000916965442 1068179744 /nfs/dbraw/zinc/17/97/44/1068179744.db2.gz MEKMVCSWLNZCDI-MRXNPFEDSA-N 0 0 474.495 0.778 20 30 JCEDRN N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000916967493 1068179749 /nfs/dbraw/zinc/17/97/49/1068179749.db2.gz VFOHTXRTUXGUGR-KRWDZBQOSA-N 0 0 484.490 0.539 20 30 JCEDRN N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000916967494 1068179494 /nfs/dbraw/zinc/17/94/94/1068179494.db2.gz VFOHTXRTUXGUGR-QGZVFWFLSA-N 0 0 484.490 0.539 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000916973126 1068180212 /nfs/dbraw/zinc/18/02/12/1068180212.db2.gz SWNDVFCXXMYUTB-KDURUIRLSA-N 0 0 461.582 0.975 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000916973128 1068180283 /nfs/dbraw/zinc/18/02/83/1068180283.db2.gz SWNDVFCXXMYUTB-OALUTQOASA-N 0 0 461.582 0.975 20 30 JCEDRN C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000916973130 1068180378 /nfs/dbraw/zinc/18/03/78/1068180378.db2.gz SWNDVFCXXMYUTB-RTBURBONSA-N 0 0 461.582 0.975 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000916989679 1068181654 /nfs/dbraw/zinc/18/16/54/1068181654.db2.gz JPLAOFDTMHRYEK-GFCCVEGCSA-N 0 0 452.445 0.685 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000916989681 1068181698 /nfs/dbraw/zinc/18/16/98/1068181698.db2.gz JPLAOFDTMHRYEK-LBPRGKRZSA-N 0 0 452.445 0.685 20 30 JCEDRN Cn1cc(/C=C/C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000917010243 1068183666 /nfs/dbraw/zinc/18/36/66/1068183666.db2.gz AUSAXIQINSBUCB-BYVAAYKLSA-N 0 0 466.454 0.063 20 30 JCEDRN Cn1cc(/C=C\C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000917010281 1068183737 /nfs/dbraw/zinc/18/37/37/1068183737.db2.gz AUSAXIQINSBUCB-FMYZQTRCSA-N 0 0 466.454 0.063 20 30 JCEDRN Cn1cc(/C=C\C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000917010283 1068183574 /nfs/dbraw/zinc/18/35/74/1068183574.db2.gz AUSAXIQINSBUCB-JEUDQZORSA-N 0 0 466.454 0.063 20 30 JCEDRN Cn1cc(/C=C/C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000917010285 1068183734 /nfs/dbraw/zinc/18/37/34/1068183734.db2.gz AUSAXIQINSBUCB-QYDWLILUSA-N 0 0 466.454 0.063 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000917010352 1068183696 /nfs/dbraw/zinc/18/36/96/1068183696.db2.gz BXVMISSTSKGSRH-GOSISDBHSA-N 0 0 463.516 0.624 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000917010353 1068183672 /nfs/dbraw/zinc/18/36/72/1068183672.db2.gz BXVMISSTSKGSRH-SFHVURJKSA-N 0 0 463.516 0.624 20 30 JCEDRN CN(CC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)c1cccnc1 ZINC000917011287 1068183689 /nfs/dbraw/zinc/18/36/89/1068183689.db2.gz WGDSYSBZWCPICP-IBGZPJMESA-N 0 0 486.510 0.668 20 30 JCEDRN CN(CC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)c1cccnc1 ZINC000917011288 1068183594 /nfs/dbraw/zinc/18/35/94/1068183594.db2.gz WGDSYSBZWCPICP-LJQANCHMSA-N 0 0 486.510 0.668 20 30 JCEDRN Cn1ncc2c1ncn(CC(=O)[C@H](C#N)C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c2=O ZINC000917011347 1068183708 /nfs/dbraw/zinc/18/37/08/1068183708.db2.gz LCPSVKMLYDNDCW-INIZCTEOSA-N 0 0 464.442 0.096 20 30 JCEDRN Cn1ncc2c1ncn(CC(=O)[C@@H](C#N)C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c2=O ZINC000917011348 1068183725 /nfs/dbraw/zinc/18/37/25/1068183725.db2.gz LCPSVKMLYDNDCW-MRXNPFEDSA-N 0 0 464.442 0.096 20 30 JCEDRN N#C[C@H](C(=O)Cn1nnc2ccccc2c1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917011733 1068184093 /nfs/dbraw/zinc/18/40/93/1068184093.db2.gz RXNFSDNVPSGZHH-GOSISDBHSA-N 0 0 461.438 0.757 20 30 JCEDRN N#C[C@@H](C(=O)Cn1nnc2ccccc2c1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917011734 1068184201 /nfs/dbraw/zinc/18/42/01/1068184201.db2.gz RXNFSDNVPSGZHH-SFHVURJKSA-N 0 0 461.438 0.757 20 30 JCEDRN N#C[C@@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917012715 1068184063 /nfs/dbraw/zinc/18/40/63/1068184063.db2.gz CDVPPMUQWNYQOZ-KRWDZBQOSA-N 0 0 468.470 0.817 20 30 JCEDRN N#C[C@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917012716 1068184171 /nfs/dbraw/zinc/18/41/71/1068184171.db2.gz CDVPPMUQWNYQOZ-QGZVFWFLSA-N 0 0 468.470 0.817 20 30 JCEDRN C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000917013065 1068184187 /nfs/dbraw/zinc/18/41/87/1068184187.db2.gz GWBQDAMKVGTSGA-HTAPYJJXSA-N 0 0 468.470 0.673 20 30 JCEDRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000917013066 1068184178 /nfs/dbraw/zinc/18/41/78/1068184178.db2.gz GWBQDAMKVGTSGA-JTSKRJEESA-N 0 0 468.470 0.673 20 30 JCEDRN C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000917013067 1068184076 /nfs/dbraw/zinc/18/40/76/1068184076.db2.gz GWBQDAMKVGTSGA-VGOFRKELSA-N 0 0 468.470 0.673 20 30 JCEDRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000917013068 1068184191 /nfs/dbraw/zinc/18/41/91/1068184191.db2.gz GWBQDAMKVGTSGA-VGSWGCGISA-N 0 0 468.470 0.673 20 30 JCEDRN N#C[C@H](C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917013104 1068184114 /nfs/dbraw/zinc/18/41/14/1068184114.db2.gz IMBVRIVHODVYPD-GOSISDBHSA-N 0 0 497.489 0.797 20 30 JCEDRN N#C[C@@H](C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917013105 1068184206 /nfs/dbraw/zinc/18/42/06/1068184206.db2.gz IMBVRIVHODVYPD-SFHVURJKSA-N 0 0 497.489 0.797 20 30 JCEDRN COCCN1C(=O)c2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2S1(=O)=O ZINC000917013354 1068184137 /nfs/dbraw/zinc/18/41/37/1068184137.db2.gz QXGPTMLRVGLFRN-UHFFFAOYSA-N 0 0 455.496 0.707 20 30 JCEDRN N#C[C@H](C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917013535 1068184125 /nfs/dbraw/zinc/18/41/25/1068184125.db2.gz LYQQBUMSLJTATB-GOSISDBHSA-N 0 0 484.494 0.450 20 30 JCEDRN N#C[C@@H](C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917013536 1068184102 /nfs/dbraw/zinc/18/41/02/1068184102.db2.gz LYQQBUMSLJTATB-SFHVURJKSA-N 0 0 484.494 0.450 20 30 JCEDRN Cn1ncc2c1nc(CCC(=O)[C@H](C#N)C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[nH]c2=O ZINC000917014566 1068184148 /nfs/dbraw/zinc/18/41/48/1068184148.db2.gz ZCTXIDALQOFDBU-INIZCTEOSA-N 0 0 478.469 0.967 20 30 JCEDRN Cn1ncc2c1nc(CCC(=O)[C@@H](C#N)C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[nH]c2=O ZINC000917014567 1068184968 /nfs/dbraw/zinc/18/49/68/1068184968.db2.gz ZCTXIDALQOFDBU-MRXNPFEDSA-N 0 0 478.469 0.967 20 30 JCEDRN CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000917018350 1068184986 /nfs/dbraw/zinc/18/49/86/1068184986.db2.gz LTZLXYDPPMFXQX-IBGZPJMESA-N 0 0 497.533 0.470 20 30 JCEDRN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000917018351 1068185003 /nfs/dbraw/zinc/18/50/03/1068185003.db2.gz LTZLXYDPPMFXQX-LJQANCHMSA-N 0 0 497.533 0.470 20 30 JCEDRN CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000917019260 1068185013 /nfs/dbraw/zinc/18/50/13/1068185013.db2.gz YPVNOEAZOPEPCL-INIZCTEOSA-N 0 0 454.464 0.880 20 30 JCEDRN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000917019261 1068184848 /nfs/dbraw/zinc/18/48/48/1068184848.db2.gz YPVNOEAZOPEPCL-MRXNPFEDSA-N 0 0 454.464 0.880 20 30 JCEDRN CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000917021290 1068184830 /nfs/dbraw/zinc/18/48/30/1068184830.db2.gz UNTNCAGJCFENID-IBGZPJMESA-N 0 0 497.533 0.470 20 30 JCEDRN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000917021291 1068184995 /nfs/dbraw/zinc/18/49/95/1068184995.db2.gz UNTNCAGJCFENID-LJQANCHMSA-N 0 0 497.533 0.470 20 30 JCEDRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN=Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000917027661 1068184878 /nfs/dbraw/zinc/18/48/78/1068184878.db2.gz LRAXHVZLGRVWRZ-KRWDZBQOSA-N 0 0 495.631 0.637 20 30 JCEDRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN=Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000917027663 1068184971 /nfs/dbraw/zinc/18/49/71/1068184971.db2.gz LRAXHVZLGRVWRZ-QGZVFWFLSA-N 0 0 495.631 0.637 20 30 JCEDRN COc1ccc(CCNC(=O)C(C#N)=C(O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000917034737 1068186009 /nfs/dbraw/zinc/18/60/09/1068186009.db2.gz WZJWJDQRMIJCAZ-DOTOQJQBSA-N 0 0 460.512 0.228 20 30 JCEDRN COc1ccc(CCNC(=O)C(C#N)=C(O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000917034743 1068186048 /nfs/dbraw/zinc/18/60/48/1068186048.db2.gz WZJWJDQRMIJCAZ-NVXWUHKLSA-N 0 0 460.512 0.228 20 30 JCEDRN COc1ccc(CCNC(=O)C(C#N)=C(O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000917034746 1068186176 /nfs/dbraw/zinc/18/61/76/1068186176.db2.gz WZJWJDQRMIJCAZ-RDJZCZTQSA-N 0 0 460.512 0.228 20 30 JCEDRN COc1ccc(CCNC(=O)C(C#N)=C(O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000917034748 1068186281 /nfs/dbraw/zinc/18/62/81/1068186281.db2.gz WZJWJDQRMIJCAZ-WBVHZDCISA-N 0 0 460.512 0.228 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000917065921 1068188764 /nfs/dbraw/zinc/18/87/64/1068188764.db2.gz ZMPNRILYVNYVMA-UHFFFAOYSA-N 0 0 479.562 0.943 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000917080121 1068191716 /nfs/dbraw/zinc/19/17/16/1068191716.db2.gz QTYZOOYTWBGOBO-UHFFFAOYSA-N 0 0 477.587 0.944 20 30 JCEDRN CCN(CC)C(=O)CN1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000917082624 1068190006 /nfs/dbraw/zinc/19/00/06/1068190006.db2.gz YNWTZYMTWFCJRX-UHFFFAOYSA-N 0 0 463.604 0.908 20 30 JCEDRN NC(=O)c1ccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 ZINC000917118205 1068196281 /nfs/dbraw/zinc/19/62/81/1068196281.db2.gz ARYWULIEWRWGFU-UHFFFAOYSA-N 0 0 456.528 0.348 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000917119175 1068196904 /nfs/dbraw/zinc/19/69/04/1068196904.db2.gz USLAKUCSIBVRKL-IBGZPJMESA-N 0 0 470.555 0.592 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000917119863 1068197283 /nfs/dbraw/zinc/19/72/83/1068197283.db2.gz YYVLDSPMFPPLFL-FQEVSTJZSA-N 0 0 452.602 0.829 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(N2CCOCC2)CCSC1 ZINC000917119864 1068197301 /nfs/dbraw/zinc/19/73/01/1068197301.db2.gz YYVLDSPMFPPLFL-HXUWFJFHSA-N 0 0 452.602 0.829 20 30 JCEDRN CCOCCCNC(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000917120075 1068197274 /nfs/dbraw/zinc/19/72/74/1068197274.db2.gz ULZHIRDXNKKJFT-UHFFFAOYSA-N 0 0 450.561 0.897 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000917129011 1068198682 /nfs/dbraw/zinc/19/86/82/1068198682.db2.gz LPWXSZBAWWAKQM-PBHICJAKSA-N 0 0 456.590 0.538 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000917129012 1068198700 /nfs/dbraw/zinc/19/87/00/1068198700.db2.gz LPWXSZBAWWAKQM-YOEHRIQHSA-N 0 0 456.590 0.538 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000917133427 1068199446 /nfs/dbraw/zinc/19/94/46/1068199446.db2.gz OZECWIGWNIIDET-HOCLYGCPSA-N 0 0 484.600 0.046 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000917133428 1068199518 /nfs/dbraw/zinc/19/95/18/1068199518.db2.gz OZECWIGWNIIDET-ZBFHGGJFSA-N 0 0 484.600 0.046 20 30 JCEDRN CCCS(=O)(=O)N1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000917134238 1068200257 /nfs/dbraw/zinc/20/02/57/1068200257.db2.gz MSQLDCHPGNCKAC-UHFFFAOYSA-N 0 0 456.590 0.826 20 30 JCEDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000917134322 1068200819 /nfs/dbraw/zinc/20/08/19/1068200819.db2.gz QLNXDXSEOGGDIF-HNNXBMFYSA-N 0 0 484.600 0.047 20 30 JCEDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000917134323 1068200740 /nfs/dbraw/zinc/20/07/40/1068200740.db2.gz QLNXDXSEOGGDIF-OAHLLOKOSA-N 0 0 484.600 0.047 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCS(=O)(=O)CC1 ZINC000917138910 1068201804 /nfs/dbraw/zinc/20/18/04/1068201804.db2.gz GPBMPVNEHUUKPO-UHFFFAOYSA-N 0 0 456.590 0.132 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000917139611 1068202943 /nfs/dbraw/zinc/20/29/43/1068202943.db2.gz ZSZPAMXZFLAMHU-INIZCTEOSA-N 0 0 456.590 0.131 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000917139614 1068202814 /nfs/dbraw/zinc/20/28/14/1068202814.db2.gz ZSZPAMXZFLAMHU-MRXNPFEDSA-N 0 0 456.590 0.131 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000917152093 1068205190 /nfs/dbraw/zinc/20/51/90/1068205190.db2.gz LWVGIWPYUAZXGK-FQEVSTJZSA-N 0 0 475.615 0.762 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCNc3ncccc3C#N)c2)CC1 ZINC000917154666 1068205633 /nfs/dbraw/zinc/20/56/33/1068205633.db2.gz PKQKPGNPYHEWJF-UHFFFAOYSA-N 0 0 456.528 0.648 20 30 JCEDRN COc1ccc(CC(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)N1CCOCC1 ZINC000917155583 1068205669 /nfs/dbraw/zinc/20/56/69/1068205669.db2.gz NCENDWFVLGKWBA-UHFFFAOYSA-N 0 0 459.528 0.754 20 30 JCEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCNc2ncccc2C#N)c1 ZINC000917156229 1068205619 /nfs/dbraw/zinc/20/56/19/1068205619.db2.gz FGJQBAVDFRLBAG-UHFFFAOYSA-N 0 0 458.544 0.942 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCNc3ncccc3C#N)cc2)CC1 ZINC000917156308 1068205480 /nfs/dbraw/zinc/20/54/80/1068205480.db2.gz MRWORGLBOSJZTK-UHFFFAOYSA-N 0 0 456.528 0.648 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCNc2ncccc2C#N)cc1 ZINC000917156340 1068205690 /nfs/dbraw/zinc/20/56/90/1068205690.db2.gz REWYVHRKZTVENF-UHFFFAOYSA-N 0 0 458.544 0.942 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCNc1ncccc1C#N ZINC000917157712 1068203484 /nfs/dbraw/zinc/20/34/84/1068203484.db2.gz XQTYYEABNKXKNM-KRWDZBQOSA-N 0 0 465.557 0.263 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCNc1ncccc1C#N ZINC000917157713 1068203336 /nfs/dbraw/zinc/20/33/36/1068203336.db2.gz XQTYYEABNKXKNM-QGZVFWFLSA-N 0 0 465.557 0.263 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1 ZINC000917158907 1068203466 /nfs/dbraw/zinc/20/34/66/1068203466.db2.gz CNJOSQSZHGUQPN-UHFFFAOYSA-N 0 0 458.540 0.957 20 30 JCEDRN NC(=O)c1ccc(CN2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000917172445 1068208219 /nfs/dbraw/zinc/20/82/19/1068208219.db2.gz KAMTWVPGLIAIKU-UHFFFAOYSA-N 0 0 469.567 0.949 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NCc1ccccc1 ZINC000917177328 1068206145 /nfs/dbraw/zinc/20/61/45/1068206145.db2.gz USFPMHSOBVUUTI-UHFFFAOYSA-N 0 0 464.569 0.741 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000917177339 1068206030 /nfs/dbraw/zinc/20/60/30/1068206030.db2.gz VNQNODNOQYTBKI-IBGZPJMESA-N 0 0 478.596 0.986 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NCc1ccccc1 ZINC000917177400 1068206148 /nfs/dbraw/zinc/20/61/48/1068206148.db2.gz YTOYTOYNCVHBHD-UHFFFAOYSA-N 0 0 450.542 0.351 20 30 JCEDRN CCNC(=O)COc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC ZINC000917183719 1068206137 /nfs/dbraw/zinc/20/61/37/1068206137.db2.gz FWHDXUJZZADOHT-UHFFFAOYSA-N 0 0 460.512 0.565 20 30 JCEDRN CCNC(=O)COc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC ZINC000917184074 1068206073 /nfs/dbraw/zinc/20/60/73/1068206073.db2.gz LEDYIVJPMMZHFA-UHFFFAOYSA-N 0 0 474.539 0.955 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)c1=O ZINC000917194035 1068212603 /nfs/dbraw/zinc/21/26/03/1068212603.db2.gz AYIANEYAIHMHAJ-UHFFFAOYSA-N 0 0 464.526 0.973 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000917195163 1068212610 /nfs/dbraw/zinc/21/26/10/1068212610.db2.gz WYVRHHMHEGRWKY-UHFFFAOYSA-N 0 0 450.542 0.682 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000917200631 1068209530 /nfs/dbraw/zinc/20/95/30/1068209530.db2.gz HHAFUUXTLQCWRO-UHFFFAOYSA-N 0 0 475.571 0.235 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000917202192 1068209491 /nfs/dbraw/zinc/20/94/91/1068209491.db2.gz VGGHHUQVYUMBKR-KRWDZBQOSA-N 0 0 475.571 0.233 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000917202194 1068209367 /nfs/dbraw/zinc/20/93/67/1068209367.db2.gz VGGHHUQVYUMBKR-QGZVFWFLSA-N 0 0 475.571 0.233 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000917206848 1068210957 /nfs/dbraw/zinc/21/09/57/1068210957.db2.gz OFEGBLQKISSYLF-UHFFFAOYSA-N 0 0 473.530 0.719 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000917207305 1068211136 /nfs/dbraw/zinc/21/11/36/1068211136.db2.gz UCOIOJDBSZQLCP-KRWDZBQOSA-N 0 0 486.550 0.716 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000917207306 1068210901 /nfs/dbraw/zinc/21/09/01/1068210901.db2.gz UCOIOJDBSZQLCP-QGZVFWFLSA-N 0 0 486.550 0.716 20 30 JCEDRN O=C(CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)N1CCc2ccccc21 ZINC000917212175 1068219036 /nfs/dbraw/zinc/21/90/36/1068219036.db2.gz UMHDCKMUBDREIX-UHFFFAOYSA-N 0 0 467.551 0.459 20 30 JCEDRN O=C(CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)N1CCc2ccccc21 ZINC000917212394 1068218904 /nfs/dbraw/zinc/21/89/04/1068218904.db2.gz GXRBHMJMQHFUHF-UHFFFAOYSA-N 0 0 481.578 0.849 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 ZINC000917212784 1068219057 /nfs/dbraw/zinc/21/90/57/1068219057.db2.gz MOXGBKSZPGAVMT-UHFFFAOYSA-N 0 0 466.563 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000917213050 1068219512 /nfs/dbraw/zinc/21/95/12/1068219512.db2.gz XFGVLMRFTPHRSC-UHFFFAOYSA-N 0 0 466.563 0.945 20 30 JCEDRN NC(=O)CNC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000917214555 1068219659 /nfs/dbraw/zinc/21/96/59/1068219659.db2.gz GOGODVMAQQKAMV-UHFFFAOYSA-N 0 0 457.512 0.037 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000917215331 1068219409 /nfs/dbraw/zinc/21/94/09/1068219409.db2.gz QKAQQHVDOUOZPL-UHFFFAOYSA-N 0 0 462.553 0.826 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3nsnc3N3CCOCC3)CC2)cc1 ZINC000917217402 1068213804 /nfs/dbraw/zinc/21/38/04/1068213804.db2.gz MCEYRJVSIOHRPF-UHFFFAOYSA-N 0 0 478.556 0.158 20 30 JCEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)CC1 ZINC000917227395 1068219011 /nfs/dbraw/zinc/21/90/11/1068219011.db2.gz PIYQWHQMGFIMTI-HSZRJFAPSA-N 0 0 454.531 0.384 20 30 JCEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)CC1 ZINC000917227399 1068218921 /nfs/dbraw/zinc/21/89/21/1068218921.db2.gz PIYQWHQMGFIMTI-QHCPKHFHSA-N 0 0 454.531 0.384 20 30 JCEDRN CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC000917228852 1068221359 /nfs/dbraw/zinc/22/13/59/1068221359.db2.gz CHCMFXKZSMZPES-UHFFFAOYSA-N 0 0 491.547 0.975 20 30 JCEDRN CN(c1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1)S(C)(=O)=O ZINC000917229135 1068221541 /nfs/dbraw/zinc/22/15/41/1068221541.db2.gz WJZQNKKNRRDDGO-UHFFFAOYSA-N 0 0 465.509 0.658 20 30 JCEDRN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)cc2C1=O ZINC000917229825 1068222086 /nfs/dbraw/zinc/22/20/86/1068222086.db2.gz TVBCHQUWLGTVRS-UHFFFAOYSA-N 0 0 470.526 0.684 20 30 JCEDRN CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc21 ZINC000917229887 1068222136 /nfs/dbraw/zinc/22/21/36/1068222136.db2.gz PCUVIRRTNXAECI-UHFFFAOYSA-N 0 0 491.547 0.975 20 30 JCEDRN CN(c1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1)S(C)(=O)=O ZINC000917229944 1068222055 /nfs/dbraw/zinc/22/20/55/1068222055.db2.gz URBDVQRIMOUMGG-UHFFFAOYSA-N 0 0 465.509 0.658 20 30 JCEDRN C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000917231015 1068223620 /nfs/dbraw/zinc/22/36/20/1068223620.db2.gz XNNQMCRQIQHZLD-CYBMUJFWSA-N 0 0 479.536 0.936 20 30 JCEDRN C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000917231076 1068223573 /nfs/dbraw/zinc/22/35/73/1068223573.db2.gz XNNQMCRQIQHZLD-ZDUSSCGKSA-N 0 0 479.536 0.936 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000917232406 1068224821 /nfs/dbraw/zinc/22/48/21/1068224821.db2.gz FAXCQNRNJFKALO-UHFFFAOYSA-N 0 0 480.587 0.367 20 30 JCEDRN COc1cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCC(N)=O ZINC000917253936 1068227195 /nfs/dbraw/zinc/22/71/95/1068227195.db2.gz HEAPBYNLKKXXQN-UHFFFAOYSA-N 0 0 460.512 0.694 20 30 JCEDRN COc1cc(CNC(=O)[C@@H](/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)ccc1OCC(N)=O ZINC000917254028 1068227082 /nfs/dbraw/zinc/22/70/82/1068227082.db2.gz HTXUIFOIWIIXSU-FQEVSTJZSA-N 0 0 474.539 0.939 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000917254039 1068226894 /nfs/dbraw/zinc/22/68/94/1068226894.db2.gz IXCCZCFEKMJEON-UHFFFAOYSA-N 0 0 465.576 0.784 20 30 JCEDRN N#Cc1ccc(CSCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000917261904 1068228507 /nfs/dbraw/zinc/22/85/07/1068228507.db2.gz CLDZGLCSJXTWMT-GOSISDBHSA-N 0 0 451.570 0.666 20 30 JCEDRN N#Cc1ccc(CSCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000917261908 1068228455 /nfs/dbraw/zinc/22/84/55/1068228455.db2.gz CLDZGLCSJXTWMT-SFHVURJKSA-N 0 0 451.570 0.666 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000917272456 1068233463 /nfs/dbraw/zinc/23/34/63/1068233463.db2.gz LUXQYBOCWXTDSL-IBGZPJMESA-N 0 0 491.591 0.985 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000917272459 1068233448 /nfs/dbraw/zinc/23/34/48/1068233448.db2.gz LUXQYBOCWXTDSL-LJQANCHMSA-N 0 0 491.591 0.985 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000917272465 1068233379 /nfs/dbraw/zinc/23/33/79/1068233379.db2.gz VXJRYCSIZDIVMV-IBGZPJMESA-N 0 0 491.591 0.985 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000917272466 1068233363 /nfs/dbraw/zinc/23/33/63/1068233363.db2.gz VXJRYCSIZDIVMV-LJQANCHMSA-N 0 0 491.591 0.985 20 30 JCEDRN COC(=O)c1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000917272497 1068233325 /nfs/dbraw/zinc/23/33/25/1068233325.db2.gz MUMKDUWRQIJQPB-UHFFFAOYSA-N 0 0 472.479 0.430 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000917273834 1068234053 /nfs/dbraw/zinc/23/40/53/1068234053.db2.gz DACGSFFUCCZHCX-UHFFFAOYSA-N 0 0 480.568 0.356 20 30 JCEDRN COCCNS(=O)(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000917274248 1068234478 /nfs/dbraw/zinc/23/44/78/1068234478.db2.gz HVKCLUCHWWCOON-UHFFFAOYSA-N 0 0 494.595 0.746 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)c1 ZINC000917275294 1068234494 /nfs/dbraw/zinc/23/44/94/1068234494.db2.gz RQEXSVPQOKICAK-UHFFFAOYSA-N 0 0 465.553 0.453 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000917276406 1068234549 /nfs/dbraw/zinc/23/45/49/1068234549.db2.gz GKBDFIKKJVDYAR-INIZCTEOSA-N 0 0 492.579 0.499 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000917276407 1068234368 /nfs/dbraw/zinc/23/43/68/1068234368.db2.gz GKBDFIKKJVDYAR-MRXNPFEDSA-N 0 0 492.579 0.499 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1 ZINC000917277447 1068229788 /nfs/dbraw/zinc/22/97/88/1068229788.db2.gz XMCPJAQPPCWCIN-UHFFFAOYSA-N 0 0 465.553 0.453 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2c(=O)[nH]c3ccccc32)CC1 ZINC000917277544 1068229753 /nfs/dbraw/zinc/22/97/53/1068229753.db2.gz YQQOGXKILRCTGO-UHFFFAOYSA-N 0 0 483.506 0.690 20 30 JCEDRN Cc1occc1C(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000917315430 1068235615 /nfs/dbraw/zinc/23/56/15/1068235615.db2.gz BOKMZPPLDNXSAK-UHFFFAOYSA-N 0 0 474.495 0.266 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2cc(Br)cn2)CC1 ZINC000917316040 1068240247 /nfs/dbraw/zinc/24/02/47/1068240247.db2.gz JODVPHMZXLNKLB-UHFFFAOYSA-N 0 0 496.343 0.594 20 30 JCEDRN C[C@H](NC(=O)c1ccoc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000917317622 1068240802 /nfs/dbraw/zinc/24/08/02/1068240802.db2.gz LAJZCJBGYDUOBT-HNNXBMFYSA-N 0 0 474.495 0.346 20 30 JCEDRN C[C@@H](NC(=O)c1ccoc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000917317623 1068240852 /nfs/dbraw/zinc/24/08/52/1068240852.db2.gz LAJZCJBGYDUOBT-OAHLLOKOSA-N 0 0 474.495 0.346 20 30 JCEDRN N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000917327382 1068242535 /nfs/dbraw/zinc/24/25/35/1068242535.db2.gz IQEJWIBDGLGHFK-AWEZNQCLSA-N 0 0 461.452 0.900 20 30 JCEDRN N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000917327385 1068242493 /nfs/dbraw/zinc/24/24/93/1068242493.db2.gz IQEJWIBDGLGHFK-CQSZACIVSA-N 0 0 461.452 0.900 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000917339784 1068239522 /nfs/dbraw/zinc/23/95/22/1068239522.db2.gz CLSBLVWCPDPPRI-UHFFFAOYSA-N 0 0 489.598 0.579 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000917341562 1068239497 /nfs/dbraw/zinc/23/94/97/1068239497.db2.gz GALKZMGEACROGE-SFHVURJKSA-N 0 0 460.560 0.651 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000917342674 1068243045 /nfs/dbraw/zinc/24/30/45/1068243045.db2.gz CXIVGHANCRWBCK-UHFFFAOYSA-N 0 0 469.523 0.004 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000917342982 1068243068 /nfs/dbraw/zinc/24/30/68/1068243068.db2.gz MJWCBGGJQTVVKV-UHFFFAOYSA-N 0 0 454.508 0.100 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 ZINC000917343228 1068243094 /nfs/dbraw/zinc/24/30/94/1068243094.db2.gz OYDVJYNXSMARCR-UHFFFAOYSA-N 0 0 454.508 0.100 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000917343234 1068243293 /nfs/dbraw/zinc/24/32/93/1068243293.db2.gz PCMRXPQCSIHSRH-UHFFFAOYSA-N 0 0 483.550 0.394 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000917343367 1068243770 /nfs/dbraw/zinc/24/37/70/1068243770.db2.gz ZGVYMROEIUVKKH-NRFANRHFSA-N 0 0 497.577 0.638 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CCOC ZINC000917352300 1068245614 /nfs/dbraw/zinc/24/56/14/1068245614.db2.gz PSOSAKFCLFVOCD-UHFFFAOYSA-N 0 0 468.329 0.282 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)Nc1ccccn1 ZINC000917352426 1068245548 /nfs/dbraw/zinc/24/55/48/1068245548.db2.gz SDNBEVPHJYNSCN-UHFFFAOYSA-N 0 0 464.503 0.880 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CCOC ZINC000917352435 1068245498 /nfs/dbraw/zinc/24/54/98/1068245498.db2.gz SVOUAZBLHOQZIM-UHFFFAOYSA-N 0 0 452.330 0.576 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000917352454 1068245417 /nfs/dbraw/zinc/24/54/17/1068245417.db2.gz UWCFCODWEXJDPP-UHFFFAOYSA-N 0 0 464.503 0.864 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Br)c2)c(=O)n1CCOC ZINC000917352520 1068245484 /nfs/dbraw/zinc/24/54/84/1068245484.db2.gz ALITWBLWQPALRL-UHFFFAOYSA-N 0 0 496.383 0.593 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CCOC ZINC000917352798 1068245431 /nfs/dbraw/zinc/24/54/31/1068245431.db2.gz ACVHQQDSWDVYPV-UHFFFAOYSA-N 0 0 469.304 0.410 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1C ZINC000917352867 1068245632 /nfs/dbraw/zinc/24/56/32/1068245632.db2.gz BYSSXXSTMGEYGD-UHFFFAOYSA-N 0 0 451.289 0.857 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1C ZINC000917352905 1068245578 /nfs/dbraw/zinc/24/55/78/1068245578.db2.gz CLHIFDNVEHXHHC-UHFFFAOYSA-N 0 0 469.304 0.317 20 30 JCEDRN C=CCn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C(=O)NC ZINC000917353058 1068245588 /nfs/dbraw/zinc/24/55/88/1068245588.db2.gz GXGYASOGHZPEAB-UHFFFAOYSA-N 0 0 451.289 0.949 20 30 JCEDRN CCn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917353095 1068245594 /nfs/dbraw/zinc/24/55/94/1068245594.db2.gz HDFRBGWIJFMQTQ-UHFFFAOYSA-N 0 0 495.342 0.896 20 30 JCEDRN Cn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C(=O)NC1CC1 ZINC000917353183 1068245446 /nfs/dbraw/zinc/24/54/46/1068245446.db2.gz IXIAGZAOTATQGW-UHFFFAOYSA-N 0 0 451.289 0.833 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1C[C@H]1CCCO1 ZINC000917353215 1068245505 /nfs/dbraw/zinc/24/55/05/1068245505.db2.gz JLXQEWMMGYEFAB-CYBMUJFWSA-N 0 0 495.342 0.942 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1C[C@@H]1CCCO1 ZINC000917353217 1068245518 /nfs/dbraw/zinc/24/55/18/1068245518.db2.gz JLXQEWMMGYEFAB-ZDUSSCGKSA-N 0 0 495.342 0.942 20 30 JCEDRN Cn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917353360 1068245455 /nfs/dbraw/zinc/24/54/55/1068245455.db2.gz NAFYBLDGGQNLQJ-UHFFFAOYSA-N 0 0 481.315 0.413 20 30 JCEDRN CCn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C(=O)NCCOC ZINC000917353847 1068245465 /nfs/dbraw/zinc/24/54/65/1068245465.db2.gz WRSLBTZVDHHAJI-UHFFFAOYSA-N 0 0 483.331 0.800 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1C ZINC000917353866 1068245572 /nfs/dbraw/zinc/24/55/72/1068245572.db2.gz YCEMFXILNXFCSI-UHFFFAOYSA-N 0 0 483.331 0.707 20 30 JCEDRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000917354187 1068246146 /nfs/dbraw/zinc/24/61/46/1068246146.db2.gz IDJCWPMXYAEPIE-UHFFFAOYSA-N 0 0 465.557 0.680 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOC ZINC000917354195 1068246128 /nfs/dbraw/zinc/24/61/28/1068246128.db2.gz IKMNLOAMOQTYMI-UHFFFAOYSA-N 0 0 480.930 0.774 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOC ZINC000917354396 1068246071 /nfs/dbraw/zinc/24/60/71/1068246071.db2.gz VWPSMDUUTGONRM-UHFFFAOYSA-N 0 0 466.903 0.383 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1C[C@@H]1CCCO1 ZINC000917354415 1068246140 /nfs/dbraw/zinc/24/61/40/1068246140.db2.gz XGASHLJPSFDRRK-HNNXBMFYSA-N 0 0 492.941 0.916 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1C[C@H]1CCCO1 ZINC000917354416 1068246215 /nfs/dbraw/zinc/24/62/15/1068246215.db2.gz XGASHLJPSFDRRK-OAHLLOKOSA-N 0 0 492.941 0.916 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2Cl)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917354429 1068246168 /nfs/dbraw/zinc/24/61/68/1068246168.db2.gz YISPNSYXUHXSRA-UHFFFAOYSA-N 0 0 478.914 0.480 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000917354932 1068246005 /nfs/dbraw/zinc/24/60/05/1068246005.db2.gz BRNWVSVYYZAUME-UHFFFAOYSA-N 0 0 486.642 0.354 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917354966 1068246248 /nfs/dbraw/zinc/24/62/48/1068246248.db2.gz FMOWOKNVAYVWIZ-UHFFFAOYSA-N 0 0 459.572 0.049 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc(Cl)c1OC ZINC000917354974 1068246237 /nfs/dbraw/zinc/24/62/37/1068246237.db2.gz GGAGKYGQMVJLQH-UHFFFAOYSA-N 0 0 460.943 0.939 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2CC(C)C)CC1 ZINC000917355104 1068246048 /nfs/dbraw/zinc/24/60/48/1068246048.db2.gz OMXXZDSZDBADKV-UHFFFAOYSA-N 0 0 456.616 0.583 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(Cl)c(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917355134 1068246032 /nfs/dbraw/zinc/24/60/32/1068246032.db2.gz SBZMLYZFOOQECD-UHFFFAOYSA-N 0 0 493.969 0.589 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3cccc(OC)c3o2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917355207 1068246177 /nfs/dbraw/zinc/24/61/77/1068246177.db2.gz BMPWMDIITNVDJD-UHFFFAOYSA-N 0 0 469.519 0.673 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OC)c(OC)c2)c(=O)n1CCOC ZINC000917355260 1068246191 /nfs/dbraw/zinc/24/61/91/1068246191.db2.gz YOVYDQQSKLQRKV-UHFFFAOYSA-N 0 0 481.958 0.492 20 30 JCEDRN COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1C ZINC000917355298 1068246258 /nfs/dbraw/zinc/24/62/58/1068246258.db2.gz FITDZQOXZJNHGA-IBGZPJMESA-N 0 0 470.595 0.935 20 30 JCEDRN COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1C ZINC000917355301 1068245993 /nfs/dbraw/zinc/24/59/93/1068245993.db2.gz FITDZQOXZJNHGA-LJQANCHMSA-N 0 0 470.595 0.935 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)n(CCOC)c2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000917355319 1068246795 /nfs/dbraw/zinc/24/67/95/1068246795.db2.gz FYWMKMZLWAHOQH-UHFFFAOYSA-N 0 0 483.638 0.828 20 30 JCEDRN COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c1C ZINC000917355345 1068246710 /nfs/dbraw/zinc/24/67/10/1068246710.db2.gz HHKVWGYMURLLIV-UHFFFAOYSA-N 0 0 472.611 0.992 20 30 JCEDRN COc1cccc2cc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CCN4CCOCC4)c3=O)oc21 ZINC000917355356 1068246751 /nfs/dbraw/zinc/24/67/51/1068246751.db2.gz HPKCUXYSLNDSFV-UHFFFAOYSA-N 0 0 494.573 0.778 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3cccc(OC)c3o2)c(=O)n1CCOC ZINC000917355358 1068246776 /nfs/dbraw/zinc/24/67/76/1068246776.db2.gz HVBSDBJSKLACCA-UHFFFAOYSA-N 0 0 471.535 0.967 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(C)n(CC(C)C)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917355385 1068246730 /nfs/dbraw/zinc/24/67/30/1068246730.db2.gz HYMDQSLMSDJZSL-UHFFFAOYSA-N 0 0 472.611 0.992 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(Cc3ccccc3)c2C)c(=O)n1CCOC ZINC000917355423 1068246690 /nfs/dbraw/zinc/24/66/90/1068246690.db2.gz IGFOVVZFMVMXDO-UHFFFAOYSA-N 0 0 495.605 0.684 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1C[C@@H]1CCCO1 ZINC000917355655 1068246816 /nfs/dbraw/zinc/24/68/16/1068246816.db2.gz KVJQKMXIFAYAQT-IBGZPJMESA-N 0 0 470.595 0.959 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1C[C@H]1CCCO1 ZINC000917355656 1068246638 /nfs/dbraw/zinc/24/66/38/1068246638.db2.gz KVJQKMXIFAYAQT-LJQANCHMSA-N 0 0 470.595 0.959 20 30 JCEDRN COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1C ZINC000917355658 1068246625 /nfs/dbraw/zinc/24/66/25/1068246625.db2.gz KYIJHUASMIISDQ-UHFFFAOYSA-N 0 0 499.637 0.088 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)n(CCOC)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917355673 1068246600 /nfs/dbraw/zinc/24/66/00/1068246600.db2.gz LPYZVLYWIXQJRQ-UHFFFAOYSA-N 0 0 456.568 0.522 20 30 JCEDRN COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)c1C ZINC000917355680 1068246611 /nfs/dbraw/zinc/24/66/11/1068246611.db2.gz LZFFRXHNZXVBRX-UHFFFAOYSA-N 0 0 458.584 0.746 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc3cccc(OC)c3o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917355681 1068246741 /nfs/dbraw/zinc/24/67/41/1068246741.db2.gz LZTIJLINZLKFOZ-UHFFFAOYSA-N 0 0 494.573 0.802 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1C[C@@H]1CCCO1 ZINC000917355683 1068246681 /nfs/dbraw/zinc/24/66/81/1068246681.db2.gz MASZMBYOBVPZRA-IBGZPJMESA-N 0 0 488.610 0.419 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1C[C@H]1CCCO1 ZINC000917355684 1068246768 /nfs/dbraw/zinc/24/67/68/1068246768.db2.gz MASZMBYOBVPZRA-LJQANCHMSA-N 0 0 488.610 0.419 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(-c3ccccc3)c2C)c(=O)n1CCOC ZINC000917355716 1068246787 /nfs/dbraw/zinc/24/67/87/1068246787.db2.gz AIVDNUWFURSTHQ-UHFFFAOYSA-N 0 0 481.578 0.624 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cccc(C)c1 ZINC000917355723 1068246652 /nfs/dbraw/zinc/24/66/52/1068246652.db2.gz AMIDRLHJAORUQT-UHFFFAOYSA-N 0 0 451.552 0.823 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccccc1 ZINC000917355769 1068246761 /nfs/dbraw/zinc/24/67/61/1068246761.db2.gz BSDUUADWYZCYOM-UHFFFAOYSA-N 0 0 451.552 0.574 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1 ZINC000917355797 1068246720 /nfs/dbraw/zinc/24/67/20/1068246720.db2.gz CRIKHTDDDFODPR-UHFFFAOYSA-N 0 0 451.552 0.905 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(F)cc1 ZINC000917355812 1068246667 /nfs/dbraw/zinc/24/66/67/1068246667.db2.gz DIFKGEDSTJDADM-UHFFFAOYSA-N 0 0 455.515 0.654 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 ZINC000917355814 1068247215 /nfs/dbraw/zinc/24/72/15/1068247215.db2.gz DIPFFFRAKSEJLW-KRWDZBQOSA-N 0 0 473.599 0.485 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 ZINC000917355815 1068247141 /nfs/dbraw/zinc/24/71/41/1068247141.db2.gz DIPFFFRAKSEJLW-QGZVFWFLSA-N 0 0 473.599 0.485 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3cccc(OC)c3o2)c(=O)n1CCN1CCOCC1 ZINC000917355867 1068246582 /nfs/dbraw/zinc/24/65/82/1068246582.db2.gz OTHSTEUBGFJPRS-UHFFFAOYSA-N 0 0 494.573 0.802 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(C)n(CCOC)c2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917355929 1068247080 /nfs/dbraw/zinc/24/70/80/1068247080.db2.gz PWPJPCSQOQYLPW-UHFFFAOYSA-N 0 0 499.637 0.112 20 30 JCEDRN CCOc1ccc(-n2c(=O)c(=Cc3c(C)nn(C)c3C)sc2=C(C#N)C(=O)NCCOC)cc1 ZINC000917356080 1068247126 /nfs/dbraw/zinc/24/71/26/1068247126.db2.gz GDKFGAMAXLRBHM-UHFFFAOYSA-N 0 0 481.578 0.914 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1CC(C)C ZINC000917356100 1068247163 /nfs/dbraw/zinc/24/71/63/1068247163.db2.gz TVTBXOVOXCTGDO-UHFFFAOYSA-N 0 0 460.600 0.896 20 30 JCEDRN COCCn1c(=O)c(=Cc2c(C)nn(-c3ccccc3)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917356120 1068247198 /nfs/dbraw/zinc/24/71/98/1068247198.db2.gz GKWDKOJZWXVLNN-UHFFFAOYSA-N 0 0 493.589 0.721 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(c(Br)c2)OCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000917356131 1068247245 /nfs/dbraw/zinc/24/72/45/1068247245.db2.gz GNZUZSCAXWGUTK-UHFFFAOYSA-N 0 0 492.351 0.829 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(F)cc1F ZINC000917356160 1068247176 /nfs/dbraw/zinc/24/71/76/1068247176.db2.gz GZRCNRZVFZZQBG-UHFFFAOYSA-N 0 0 473.505 0.793 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCN1CCOCC1 ZINC000917356197 1068247188 /nfs/dbraw/zinc/24/71/88/1068247188.db2.gz HLKRKLMRASQFJW-UHFFFAOYSA-N 0 0 472.615 0.012 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CCN2CCOCC2)c1=O ZINC000917356232 1068247273 /nfs/dbraw/zinc/24/72/73/1068247273.db2.gz HUJPHNMQXZPNIL-UHFFFAOYSA-N 0 0 477.590 0.978 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cc(OC)ccc3c2)c(=O)n1CCOC ZINC000917356248 1068247097 /nfs/dbraw/zinc/24/70/97/1068247097.db2.gz ICHYTRDTEGYTTG-UHFFFAOYSA-N 0 0 467.547 0.984 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C ZINC000917356254 1068247235 /nfs/dbraw/zinc/24/72/35/1068247235.db2.gz IHOSQIHDURTFOF-UHFFFAOYSA-N 0 0 451.552 0.823 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2-c2ccccc2)CC1 ZINC000917356287 1068247109 /nfs/dbraw/zinc/24/71/09/1068247109.db2.gz IZHAZCOEHCRBLM-UHFFFAOYSA-N 0 0 476.606 0.917 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(C)n(CCOC)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917356302 1068247291 /nfs/dbraw/zinc/24/72/91/1068247291.db2.gz UBRPTXVDTIBOMM-UHFFFAOYSA-N 0 0 458.584 0.746 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3cccc(OC)c3o2)c(=O)n1CCOC ZINC000917356319 1068247207 /nfs/dbraw/zinc/24/72/07/1068247207.db2.gz UNKACNAFNMNXPB-UHFFFAOYSA-N 0 0 457.508 0.577 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1CCN1CCOCC1 ZINC000917356339 1068247226 /nfs/dbraw/zinc/24/72/26/1068247226.db2.gz VDGLIXJAZGKGTF-UHFFFAOYSA-N 0 0 499.637 0.112 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2cccc(C)c2)c1=O ZINC000917356344 1068247281 /nfs/dbraw/zinc/24/72/81/1068247281.db2.gz JNZRUPPWGDQIKM-UHFFFAOYSA-N 0 0 463.563 0.920 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc4cccc(OC)c4o3)c(=O)n2CCOC)CC1 ZINC000917356376 1068247264 /nfs/dbraw/zinc/24/72/64/1068247264.db2.gz VZIHOQGZLWYVFH-UHFFFAOYSA-N 0 0 496.589 0.978 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC(C)C)c2C)c(=O)n1CCOC ZINC000917356546 1068247151 /nfs/dbraw/zinc/24/71/51/1068247151.db2.gz ZWJQYURZEMPCDY-UHFFFAOYSA-N 0 0 460.600 0.896 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2C)c1=O ZINC000917356577 1068247255 /nfs/dbraw/zinc/24/72/55/1068247255.db2.gz MGGUWFYVMIYMOP-UHFFFAOYSA-N 0 0 463.563 0.920 20 30 JCEDRN COCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000917356597 1068247855 /nfs/dbraw/zinc/24/78/55/1068247855.db2.gz NBFITDXKABZKIE-UHFFFAOYSA-N 0 0 495.561 0.820 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cc3c(cc2Br)OCO3)c(=O)n1CCN1CCOCC1 ZINC000917356625 1068247776 /nfs/dbraw/zinc/24/77/76/1068247776.db2.gz OGUCWUVPEDTCMK-UHFFFAOYSA-N 0 0 489.351 0.760 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000917356636 1068247803 /nfs/dbraw/zinc/24/78/03/1068247803.db2.gz OQZYWRLFADXJTF-GOSISDBHSA-N 0 0 484.626 0.106 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000917356637 1068247690 /nfs/dbraw/zinc/24/76/90/1068247690.db2.gz OQZYWRLFADXJTF-SFHVURJKSA-N 0 0 484.626 0.106 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 ZINC000917356750 1068247840 /nfs/dbraw/zinc/24/78/40/1068247840.db2.gz PJQJQHOVAKQESL-INIZCTEOSA-N 0 0 459.572 0.095 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 ZINC000917356751 1068247826 /nfs/dbraw/zinc/24/78/26/1068247826.db2.gz PJQJQHOVAKQESL-MRXNPFEDSA-N 0 0 459.572 0.095 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccccc2)c1=O ZINC000917356786 1068247814 /nfs/dbraw/zinc/24/78/14/1068247814.db2.gz QVICMQHSKNYIIG-UHFFFAOYSA-N 0 0 463.563 0.670 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)cc2F)c1=O ZINC000917356789 1068247675 /nfs/dbraw/zinc/24/76/75/1068247675.db2.gz RAIXQXBKITYPEW-UHFFFAOYSA-N 0 0 485.516 0.889 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2F)c(=O)n1CCOC ZINC000917356814 1068247868 /nfs/dbraw/zinc/24/78/68/1068247868.db2.gz SJLVWULNKUJFIT-UHFFFAOYSA-N 0 0 484.347 0.723 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(-c2ccccc2)c1=O ZINC000917356829 1068247849 /nfs/dbraw/zinc/24/78/49/1068247849.db2.gz SYXHUKWEPNUSEK-UHFFFAOYSA-N 0 0 492.605 0.201 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O ZINC000917356840 1068247861 /nfs/dbraw/zinc/24/78/61/1068247861.db2.gz UBBOJMRJOSJIHM-UHFFFAOYSA-N 0 0 457.600 0.711 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)cc2)c1=O ZINC000917356904 1068247786 /nfs/dbraw/zinc/24/77/86/1068247786.db2.gz VCIZCKPUFNJUAQ-UHFFFAOYSA-N 0 0 467.526 0.750 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Br)c2)OCO3)c(=O)n1CCOC ZINC000917356980 1068247796 /nfs/dbraw/zinc/24/77/96/1068247796.db2.gz WLHKRPKCAGOZSI-UHFFFAOYSA-N 0 0 492.351 0.853 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2Br)OCO3)c(=O)n1CCOC ZINC000917356983 1068247831 /nfs/dbraw/zinc/24/78/31/1068247831.db2.gz WNWAVZMMFTZYBT-UHFFFAOYSA-N 0 0 492.351 0.853 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cc3c(c(Br)c2)OCO3)c(=O)n1CCN1CCOCC1 ZINC000917356985 1068247837 /nfs/dbraw/zinc/24/78/37/1068247837.db2.gz WPFXBIDUSJSBEO-UHFFFAOYSA-N 0 0 489.351 0.760 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccccc1 ZINC000917356999 1068247844 /nfs/dbraw/zinc/24/78/44/1068247844.db2.gz XDEOVUGKKLDZBC-UHFFFAOYSA-N 0 0 465.579 0.964 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCN2CCOCC2)c1=O ZINC000917357007 1068247729 /nfs/dbraw/zinc/24/77/29/1068247729.db2.gz XUDDTVAGUXTFHN-UHFFFAOYSA-N 0 0 492.605 0.734 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(cc2Br)OCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000917357008 1068247823 /nfs/dbraw/zinc/24/78/23/1068247823.db2.gz XUTKRIRHGYMKPS-UHFFFAOYSA-N 0 0 492.351 0.829 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(Br)cc2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917357015 1068247875 /nfs/dbraw/zinc/24/78/75/1068247875.db2.gz YIVWPDSXGCODGR-UHFFFAOYSA-N 0 0 496.358 0.820 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2Cc2ccccc2)CC1 ZINC000917357047 1068247708 /nfs/dbraw/zinc/24/77/08/1068247708.db2.gz ZPFHFMHNORQAQZ-UHFFFAOYSA-N 0 0 490.633 0.976 20 30 JCEDRN COc1ccc(CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000917370441 1068248826 /nfs/dbraw/zinc/24/88/26/1068248826.db2.gz PNPUAQXDQIZCLU-INIZCTEOSA-N 0 0 477.564 0.950 20 30 JCEDRN COc1ccc(CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000917370443 1068248918 /nfs/dbraw/zinc/24/89/18/1068248918.db2.gz PNPUAQXDQIZCLU-MRXNPFEDSA-N 0 0 477.564 0.950 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000917384874 1068256263 /nfs/dbraw/zinc/25/62/63/1068256263.db2.gz IGDFTFOIVLZXBT-UHFFFAOYSA-N 0 0 487.563 0.785 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000917385331 1068256725 /nfs/dbraw/zinc/25/67/25/1068256725.db2.gz PJNPSVPNADLVBF-UHFFFAOYSA-N 0 0 473.536 0.018 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000917385383 1068256564 /nfs/dbraw/zinc/25/65/64/1068256564.db2.gz QHASMUWBZPYPLN-UHFFFAOYSA-N 0 0 472.548 0.505 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000917385800 1068256674 /nfs/dbraw/zinc/25/66/74/1068256674.db2.gz RZDORMRCAGHTFB-UHFFFAOYSA-N 0 0 487.563 0.409 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000917385828 1068256710 /nfs/dbraw/zinc/25/67/10/1068256710.db2.gz SQSVBJIOHIXAPG-UHFFFAOYSA-N 0 0 472.548 0.505 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000917407830 1068259290 /nfs/dbraw/zinc/25/92/90/1068259290.db2.gz FAUXVTYFABLFPS-UHFFFAOYSA-N 0 0 478.571 0.749 20 30 JCEDRN CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000917408878 1068259310 /nfs/dbraw/zinc/25/93/10/1068259310.db2.gz ROYMZJRSCICFKP-UHFFFAOYSA-N 0 0 479.559 0.263 20 30 JCEDRN COc1ccc(CN2C(=O)C(=O)N(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000917421530 1068267947 /nfs/dbraw/zinc/26/79/47/1068267947.db2.gz XGRUBHPLIYYNHZ-UHFFFAOYSA-N 0 0 497.533 0.822 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000917422702 1068268436 /nfs/dbraw/zinc/26/84/36/1068268436.db2.gz MXIOLIBQZKORBZ-INIZCTEOSA-N 0 0 478.527 0.631 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000917422705 1068268391 /nfs/dbraw/zinc/26/83/91/1068268391.db2.gz MXIOLIBQZKORBZ-MRXNPFEDSA-N 0 0 478.527 0.631 20 30 JCEDRN C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000917423281 1068268331 /nfs/dbraw/zinc/26/83/31/1068268331.db2.gz TVRXRKPAPWQGQQ-JOCHJYFZSA-N 0 0 468.539 0.903 20 30 JCEDRN C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000917423282 1068268991 /nfs/dbraw/zinc/26/89/91/1068268991.db2.gz TVRXRKPAPWQGQQ-QFIPXVFZSA-N 0 0 468.539 0.903 20 30 JCEDRN C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O ZINC000917423766 1068268940 /nfs/dbraw/zinc/26/89/40/1068268940.db2.gz ZULFFJPIHFIVQB-JOCHJYFZSA-N 0 0 468.539 0.903 20 30 JCEDRN C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O ZINC000917423768 1068268985 /nfs/dbraw/zinc/26/89/85/1068268985.db2.gz ZULFFJPIHFIVQB-QFIPXVFZSA-N 0 0 468.539 0.903 20 30 JCEDRN COCCNC(=O)[C@@H](C#N)C(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000917424090 1068269343 /nfs/dbraw/zinc/26/93/43/1068269343.db2.gz BOZDVNGCLZURAT-HNNXBMFYSA-N 0 0 464.500 0.241 20 30 JCEDRN COCCNC(=O)[C@H](C#N)C(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000917424091 1068269528 /nfs/dbraw/zinc/26/95/28/1068269528.db2.gz BOZDVNGCLZURAT-OAHLLOKOSA-N 0 0 464.500 0.241 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NCCOC)CC2)o1 ZINC000917424135 1068269412 /nfs/dbraw/zinc/26/94/12/1068269412.db2.gz DHANQLZVUOWRLM-AWEZNQCLSA-N 0 0 455.489 0.328 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NCCOC)CC2)o1 ZINC000917424136 1068269553 /nfs/dbraw/zinc/26/95/53/1068269553.db2.gz DHANQLZVUOWRLM-CQSZACIVSA-N 0 0 455.489 0.328 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1=O ZINC000917431347 1068270516 /nfs/dbraw/zinc/27/05/16/1068270516.db2.gz QSOLHVHWBYHOOF-UHFFFAOYSA-N 0 0 479.459 0.978 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1=O ZINC000917451963 1068277803 /nfs/dbraw/zinc/27/78/03/1068277803.db2.gz MOZZBUJKXPSBFI-UHFFFAOYSA-N 0 0 479.459 0.978 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1=O ZINC000917453718 1068277622 /nfs/dbraw/zinc/27/76/22/1068277622.db2.gz LVVJBYXQLSUESJ-UHFFFAOYSA-N 0 0 477.468 0.561 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1=O ZINC000917457087 1068278445 /nfs/dbraw/zinc/27/84/45/1068278445.db2.gz QXQKXCSHYYNCMT-IBGZPJMESA-N 0 0 489.960 0.687 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1=O ZINC000917457412 1068278315 /nfs/dbraw/zinc/27/83/15/1068278315.db2.gz QXQKXCSHYYNCMT-LJQANCHMSA-N 0 0 489.960 0.687 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1=O ZINC000917457524 1068278506 /nfs/dbraw/zinc/27/85/06/1068278506.db2.gz ITXLLHOQWZDLOF-UHFFFAOYSA-N 0 0 471.533 0.977 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1=O ZINC000917463830 1068279139 /nfs/dbraw/zinc/27/91/39/1068279139.db2.gz QJZZAIIBDBXGGX-KRWDZBQOSA-N 0 0 472.521 0.285 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)c1=O ZINC000917463831 1068279183 /nfs/dbraw/zinc/27/91/83/1068279183.db2.gz QJZZAIIBDBXGGX-QGZVFWFLSA-N 0 0 472.521 0.285 20 30 JCEDRN C=CCn1c2nn(CN3CCN(C(=O)C(=O)NC4CC4)CC3)c(=S)n2c2ccccc2c1=O ZINC000917468944 1068280731 /nfs/dbraw/zinc/28/07/31/1068280731.db2.gz MEFHWAYHLXZZFP-UHFFFAOYSA-N 0 0 467.555 0.746 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccccc3OCC)CC2)c1=O ZINC000917470797 1068281786 /nfs/dbraw/zinc/28/17/86/1068281786.db2.gz AKYXQEADTFUTOA-UHFFFAOYSA-N 0 0 455.515 0.358 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1=O ZINC000917471902 1068282435 /nfs/dbraw/zinc/28/24/35/1068282435.db2.gz PGFIAQUDRDWLCF-UHFFFAOYSA-N 0 0 457.506 0.669 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)c1=O ZINC000917474891 1068278414 /nfs/dbraw/zinc/27/84/14/1068278414.db2.gz VIEQIVGAQKLULP-UHFFFAOYSA-N 0 0 455.515 0.276 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1=O ZINC000917475257 1068278188 /nfs/dbraw/zinc/27/81/88/1068278188.db2.gz IYIBFFVEHJKEBU-UHFFFAOYSA-N 0 0 464.526 0.369 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1=O ZINC000917478066 1068278270 /nfs/dbraw/zinc/27/82/70/1068278270.db2.gz OSQKRQWSIBXZCG-HNNXBMFYSA-N 0 0 460.922 0.900 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1=O ZINC000917478068 1068278548 /nfs/dbraw/zinc/27/85/48/1068278548.db2.gz OSQKRQWSIBXZCG-OAHLLOKOSA-N 0 0 460.922 0.900 20 30 JCEDRN CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000917493659 1068285452 /nfs/dbraw/zinc/28/54/52/1068285452.db2.gz IOVWKCJLINEMBB-UHFFFAOYSA-N 0 0 493.586 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000917493663 1068285381 /nfs/dbraw/zinc/28/53/81/1068285381.db2.gz JACMMNNQVHAGMK-UHFFFAOYSA-N 0 0 478.571 0.749 20 30 JCEDRN Cn1cc(/C=C/C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000917504080 1068284900 /nfs/dbraw/zinc/28/49/00/1068284900.db2.gz CVXMPDXVUUALAE-BLGFXRMMSA-N 0 0 461.482 0.391 20 30 JCEDRN Cn1cc(/C=C\C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000917504081 1068284747 /nfs/dbraw/zinc/28/47/47/1068284747.db2.gz CVXMPDXVUUALAE-CNZFZVQHSA-N 0 0 461.482 0.391 20 30 JCEDRN Cn1cc(/C=C/C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000917504082 1068284851 /nfs/dbraw/zinc/28/48/51/1068284851.db2.gz CVXMPDXVUUALAE-GFOMBABLSA-N 0 0 461.482 0.391 20 30 JCEDRN Cn1cc(/C=C\C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000917504083 1068284883 /nfs/dbraw/zinc/28/48/83/1068284883.db2.gz CVXMPDXVUUALAE-GIFJBRJJSA-N 0 0 461.482 0.391 20 30 JCEDRN CN(CC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)S(=O)(=O)c1cccnc1 ZINC000917505301 1068288966 /nfs/dbraw/zinc/28/89/66/1068288966.db2.gz LRZDSCWKOZDHGE-IBGZPJMESA-N 0 0 481.538 0.996 20 30 JCEDRN CN(CC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)S(=O)(=O)c1cccnc1 ZINC000917505302 1068288649 /nfs/dbraw/zinc/28/86/49/1068288649.db2.gz LRZDSCWKOZDHGE-LJQANCHMSA-N 0 0 481.538 0.996 20 30 JCEDRN CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2S1(=O)=O ZINC000917520978 1068285911 /nfs/dbraw/zinc/28/59/11/1068285911.db2.gz HNHNCPVRWCOFMU-UHFFFAOYSA-N 0 0 488.547 0.869 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000917524713 1068288061 /nfs/dbraw/zinc/28/80/61/1068288061.db2.gz KJUKVOFYFLUCIN-IBGZPJMESA-N 0 0 491.614 0.143 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000917524715 1068288156 /nfs/dbraw/zinc/28/81/56/1068288156.db2.gz KJUKVOFYFLUCIN-LJQANCHMSA-N 0 0 491.614 0.143 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n(C)c1=O ZINC000917524724 1068287389 /nfs/dbraw/zinc/28/73/89/1068287389.db2.gz DRVHSEIMRLJKLL-HNNXBMFYSA-N 0 0 460.535 0.251 20 30 JCEDRN Cn1c(=O)c(C#N)c(N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n(C)c1=O ZINC000917524728 1068287530 /nfs/dbraw/zinc/28/75/30/1068287530.db2.gz DRVHSEIMRLJKLL-OAHLLOKOSA-N 0 0 460.535 0.251 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 ZINC000917650586 1068297857 /nfs/dbraw/zinc/29/78/57/1068297857.db2.gz AVZQNEQQTWIQEA-UHFFFAOYSA-N 0 0 485.404 0.967 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)CC1 ZINC000917650847 1068298634 /nfs/dbraw/zinc/29/86/34/1068298634.db2.gz NJFCLLWSWKVYKS-UHFFFAOYSA-N 0 0 460.350 0.844 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000917687708 1068301729 /nfs/dbraw/zinc/30/17/29/1068301729.db2.gz LUUBJGRJIXWFAL-JJIBRWJFSA-N 0 0 470.511 0.697 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000917687709 1068301547 /nfs/dbraw/zinc/30/15/47/1068301547.db2.gz LUUBJGRJIXWFAL-ULJHMMPZSA-N 0 0 470.511 0.697 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000917687956 1068301710 /nfs/dbraw/zinc/30/17/10/1068301710.db2.gz HDFMPPZYITZWAE-ACNSNUFOSA-N 0 0 495.583 0.603 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000917687958 1068301666 /nfs/dbraw/zinc/30/16/66/1068301666.db2.gz HDFMPPZYITZWAE-CVIUTVQRSA-N 0 0 495.583 0.603 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000917687961 1068301773 /nfs/dbraw/zinc/30/17/73/1068301773.db2.gz HDFMPPZYITZWAE-SAZKUCFMSA-N 0 0 495.583 0.603 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000917687963 1068301623 /nfs/dbraw/zinc/30/16/23/1068301623.db2.gz HDFMPPZYITZWAE-VKWHMPGMSA-N 0 0 495.583 0.603 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000917688360 1068302062 /nfs/dbraw/zinc/30/20/62/1068302062.db2.gz PZOANDBYAQIUCX-ULJHMMPZSA-N 0 0 470.511 0.697 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000917688850 1068301947 /nfs/dbraw/zinc/30/19/47/1068301947.db2.gz WPNPUJJEVUSKRK-JLPGSUDCSA-N 0 0 487.542 0.275 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000917688851 1068302174 /nfs/dbraw/zinc/30/21/74/1068302174.db2.gz WPNPUJJEVUSKRK-LFVJCYFKSA-N 0 0 487.542 0.275 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 ZINC000917691425 1068302089 /nfs/dbraw/zinc/30/20/89/1068302089.db2.gz GFKOBKCIDVPAIX-FXBPSFAMSA-N 0 0 463.541 0.936 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 ZINC000917691426 1068301928 /nfs/dbraw/zinc/30/19/28/1068301928.db2.gz GFKOBKCIDVPAIX-HEHNFIMWSA-N 0 0 463.541 0.936 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 ZINC000917692090 1068301985 /nfs/dbraw/zinc/30/19/85/1068301985.db2.gz UDQQZWOPEDHNGF-OQKWZONESA-N 0 0 463.541 0.936 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 ZINC000917692091 1068302072 /nfs/dbraw/zinc/30/20/72/1068302072.db2.gz UDQQZWOPEDHNGF-XLNRJJMWSA-N 0 0 463.541 0.936 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NN=c2ccc(S(=O)(=O)NC3CC3)c[nH]2)c1 ZINC000917736998 1068305108 /nfs/dbraw/zinc/30/51/08/1068305108.db2.gz MIAYPTLOIMYWKP-UHFFFAOYSA-N 0 0 451.530 0.744 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NN=c2ccc(S(=O)(=O)NC(C)C)c[nH]2)c1 ZINC000917737578 1068304788 /nfs/dbraw/zinc/30/47/88/1068304788.db2.gz WKUWEZHOCJOJMS-UHFFFAOYSA-N 0 0 453.546 0.990 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000917750388 1068309063 /nfs/dbraw/zinc/30/90/63/1068309063.db2.gz PXSRUFAOALPMRT-HAVVHWLPSA-N 0 0 477.524 0.830 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000917750389 1068308732 /nfs/dbraw/zinc/30/87/32/1068308732.db2.gz PXSRUFAOALPMRT-QJOMJCCJSA-N 0 0 477.524 0.830 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917760237 1068307844 /nfs/dbraw/zinc/30/78/44/1068307844.db2.gz AOWITYOKSUYBKG-UHFFFAOYSA-N 0 0 472.615 0.223 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000917760628 1068307525 /nfs/dbraw/zinc/30/75/25/1068307525.db2.gz BSQSADHLLGSBMW-UHFFFAOYSA-N 0 0 475.640 0.769 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917760821 1068307390 /nfs/dbraw/zinc/30/73/90/1068307390.db2.gz DZPKEDQYVIWAHE-UHFFFAOYSA-N 0 0 473.599 0.650 20 30 JCEDRN CCCn1c(=O)c(=Cc2cc(Cl)ccc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917760887 1068307829 /nfs/dbraw/zinc/30/78/29/1068307829.db2.gz JRIWPJWMGKDHIY-UHFFFAOYSA-N 0 0 491.013 0.933 20 30 JCEDRN CCOCCCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917761245 1068307860 /nfs/dbraw/zinc/30/78/60/1068307860.db2.gz IHSVHEAOFPOQAO-UHFFFAOYSA-N 0 0 491.639 0.053 20 30 JCEDRN CCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000917761450 1068307774 /nfs/dbraw/zinc/30/77/74/1068307774.db2.gz SBYKJINACZMIRQ-UHFFFAOYSA-N 0 0 456.616 0.938 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917763117 1068312518 /nfs/dbraw/zinc/31/25/18/1068312518.db2.gz MYSWWVGNNFDOLD-UHFFFAOYSA-N 0 0 459.531 0.915 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cc(Cl)ccc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917764175 1068312359 /nfs/dbraw/zinc/31/23/59/1068312359.db2.gz RSAOLOOHMIVNPH-UHFFFAOYSA-N 0 0 488.997 0.709 20 30 JCEDRN CC(C)Cn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917765538 1068309305 /nfs/dbraw/zinc/30/93/05/1068309305.db2.gz QARLDGSEYGMDMO-UHFFFAOYSA-N 0 0 486.642 0.469 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)s1 ZINC000917765564 1068309325 /nfs/dbraw/zinc/30/93/25/1068309325.db2.gz SYIVQDSLEXJSDE-UHFFFAOYSA-N 0 0 461.613 0.282 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000917767615 1068309440 /nfs/dbraw/zinc/30/94/40/1068309440.db2.gz AYTSDKKUEOENHM-KRWDZBQOSA-N 0 0 471.583 0.402 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000917767616 1068309507 /nfs/dbraw/zinc/30/95/07/1068309507.db2.gz AYTSDKKUEOENHM-QGZVFWFLSA-N 0 0 471.583 0.402 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000917767915 1068309216 /nfs/dbraw/zinc/30/92/16/1068309216.db2.gz GBJTWYVKXFJZSX-KRWDZBQOSA-N 0 0 473.599 0.696 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000917767916 1068309583 /nfs/dbraw/zinc/30/95/83/1068309583.db2.gz GBJTWYVKXFJZSX-QGZVFWFLSA-N 0 0 473.599 0.696 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCOC ZINC000917768120 1068309247 /nfs/dbraw/zinc/30/92/47/1068309247.db2.gz CFZCVTKPMOMBSS-UHFFFAOYSA-N 0 0 479.562 0.669 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000917768207 1068309361 /nfs/dbraw/zinc/30/93/61/1068309361.db2.gz DMGCPXUHUQIZLH-INIZCTEOSA-N 0 0 479.562 0.667 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000917768212 1068309458 /nfs/dbraw/zinc/30/94/58/1068309458.db2.gz DMGCPXUHUQIZLH-MRXNPFEDSA-N 0 0 479.562 0.667 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCOC ZINC000917768229 1068309262 /nfs/dbraw/zinc/30/92/62/1068309262.db2.gz DUFWXRVAYVVALE-UHFFFAOYSA-N 0 0 465.535 0.279 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc([N+](=O)[O-])c3)c(=O)n2CCOC)CC1 ZINC000917768278 1068309474 /nfs/dbraw/zinc/30/94/74/1068309474.db2.gz FFUQEMHXKJLOSF-UHFFFAOYSA-N 0 0 477.568 0.193 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C[C@@H]1CCCO1 ZINC000917768380 1068309380 /nfs/dbraw/zinc/30/93/80/1068309380.db2.gz MSRWQLNOCJTGCQ-IBGZPJMESA-N 0 0 491.573 0.811 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C[C@H]1CCCO1 ZINC000917768381 1068309343 /nfs/dbraw/zinc/30/93/43/1068309343.db2.gz MSRWQLNOCJTGCQ-LJQANCHMSA-N 0 0 491.573 0.811 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NCC(C)C ZINC000917768430 1068309545 /nfs/dbraw/zinc/30/95/45/1068309545.db2.gz FZJXWZVDMOPGJH-UHFFFAOYSA-N 0 0 457.552 0.993 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCOC ZINC000917768431 1068309871 /nfs/dbraw/zinc/30/98/71/1068309871.db2.gz GBFUYGDAVDSSKQ-UHFFFAOYSA-N 0 0 452.514 0.182 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917768439 1068309835 /nfs/dbraw/zinc/30/98/35/1068309835.db2.gz GKOXKLVZNRYOHV-UHFFFAOYSA-N 0 0 477.546 0.375 20 30 JCEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)c1 ZINC000917768717 1068309967 /nfs/dbraw/zinc/30/99/67/1068309967.db2.gz JGLIUYSELOWQKQ-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917768722 1068310074 /nfs/dbraw/zinc/31/00/74/1068310074.db2.gz JLFVTJDWKYRHPP-UHFFFAOYSA-N 0 0 471.535 0.079 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)(C)C)c3)c(=O)n2CCOC)CC1 ZINC000917768730 1068310088 /nfs/dbraw/zinc/31/00/88/1068310088.db2.gz JSEWZASDQMOEIQ-UHFFFAOYSA-N 0 0 472.615 0.175 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc4c3OCCCO4)c(=O)n2CCOC)CC1 ZINC000917768744 1068309739 /nfs/dbraw/zinc/30/97/39/1068309739.db2.gz KTQHFUXCWOHZIV-UHFFFAOYSA-N 0 0 498.605 0.385 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(-c3ccc(Cl)cc3)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917768792 1068309926 /nfs/dbraw/zinc/30/99/26/1068309926.db2.gz MYOOLZRIFJVYCR-UHFFFAOYSA-N 0 0 499.980 0.757 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000917768819 1068309802 /nfs/dbraw/zinc/30/98/02/1068309802.db2.gz SZWRBXWSIKHTNT-INIZCTEOSA-N 0 0 473.624 0.521 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000917768820 1068309984 /nfs/dbraw/zinc/30/99/84/1068309984.db2.gz SZWRBXWSIKHTNT-MRXNPFEDSA-N 0 0 473.624 0.521 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@@H]1CCCO1 ZINC000917768836 1068309779 /nfs/dbraw/zinc/30/97/79/1068309779.db2.gz UMCZUZADNNMSHT-HNNXBMFYSA-N 0 0 462.597 0.900 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@H]1CCCO1 ZINC000917768837 1068309947 /nfs/dbraw/zinc/30/99/47/1068309947.db2.gz UMCZUZADNNMSHT-OAHLLOKOSA-N 0 0 462.597 0.900 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)(C)C)c3)c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000917768840 1068309890 /nfs/dbraw/zinc/30/98/90/1068309890.db2.gz UQHKAHDMRIHOHT-IBGZPJMESA-N 0 0 498.653 0.707 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)(C)C)c3)c(=O)n2C[C@H]2CCCO2)CC1 ZINC000917768841 1068310030 /nfs/dbraw/zinc/31/00/30/1068310030.db2.gz UQHKAHDMRIHOHT-LJQANCHMSA-N 0 0 498.653 0.707 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000917768895 1068309678 /nfs/dbraw/zinc/30/96/78/1068309678.db2.gz WWZPZMUQPGGBIZ-INIZCTEOSA-N 0 0 464.503 0.937 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000917768896 1068309657 /nfs/dbraw/zinc/30/96/57/1068309657.db2.gz WWZPZMUQPGGBIZ-MRXNPFEDSA-N 0 0 464.503 0.937 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000917769038 1068310121 /nfs/dbraw/zinc/31/01/21/1068310121.db2.gz YBWRIWCESPLSOX-DOTOQJQBSA-N 0 0 473.599 0.694 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000917769044 1068310016 /nfs/dbraw/zinc/31/00/16/1068310016.db2.gz YBWRIWCESPLSOX-NVXWUHKLSA-N 0 0 473.599 0.694 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000917769049 1068310060 /nfs/dbraw/zinc/31/00/60/1068310060.db2.gz YBWRIWCESPLSOX-RDJZCZTQSA-N 0 0 473.599 0.694 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000917769053 1068309854 /nfs/dbraw/zinc/30/98/54/1068309854.db2.gz YBWRIWCESPLSOX-WBVHZDCISA-N 0 0 473.599 0.694 20 30 JCEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)c1 ZINC000917769090 1068309698 /nfs/dbraw/zinc/30/96/98/1068309698.db2.gz RXRGAYGYHQMYSW-UHFFFAOYSA-N 0 0 470.595 0.622 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOC ZINC000917769130 1068310568 /nfs/dbraw/zinc/31/05/68/1068310568.db2.gz TXNGXKVVBIPGDM-UHFFFAOYSA-N 0 0 459.524 0.331 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000917769155 1068310376 /nfs/dbraw/zinc/31/03/76/1068310376.db2.gz ZPNQSFUZBSDWHO-INIZCTEOSA-N 0 0 459.572 0.306 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000917769156 1068310235 /nfs/dbraw/zinc/31/02/35/1068310235.db2.gz ZPNQSFUZBSDWHO-MRXNPFEDSA-N 0 0 459.572 0.306 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000917769179 1068310602 /nfs/dbraw/zinc/31/06/02/1068310602.db2.gz VFABHXGAENRXPO-UHFFFAOYSA-N 0 0 455.536 0.843 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCOC ZINC000917769217 1068310537 /nfs/dbraw/zinc/31/05/37/1068310537.db2.gz WWQYNTHVNAVMPM-UHFFFAOYSA-N 0 0 473.551 0.373 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCOC ZINC000917769220 1068310315 /nfs/dbraw/zinc/31/03/15/1068310315.db2.gz XDZUKPYIIZOHIY-UHFFFAOYSA-N 0 0 487.578 0.763 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000917769246 1068310482 /nfs/dbraw/zinc/31/04/82/1068310482.db2.gz YRISGSUGMGZJKS-UHFFFAOYSA-N 0 0 455.540 0.920 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)n1CCOC ZINC000917769255 1068310253 /nfs/dbraw/zinc/31/02/53/1068310253.db2.gz YWBRRVQIWBEQAQ-UHFFFAOYSA-N 0 0 487.969 0.661 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCN3CCOCC3)c2=O)cn1 ZINC000917769474 1068310290 /nfs/dbraw/zinc/31/02/90/1068310290.db2.gz AEJGNBHRNRYNGD-UHFFFAOYSA-N 0 0 498.653 0.755 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCN1CCOCC1 ZINC000917769478 1068310501 /nfs/dbraw/zinc/31/05/01/1068310501.db2.gz AERAQTHYLPJHPO-UHFFFAOYSA-N 0 0 472.615 0.223 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCN1CCOCC1 ZINC000917769479 1068310425 /nfs/dbraw/zinc/31/04/25/1068310425.db2.gz AGBADWRJGZBEBU-UHFFFAOYSA-N 0 0 486.642 0.613 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCN3CCOCC3)c2=O)s1 ZINC000917769547 1068310336 /nfs/dbraw/zinc/31/03/36/1068310336.db2.gz FCFABUMTMSCNQD-UHFFFAOYSA-N 0 0 473.624 0.569 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCN1CCOCC1 ZINC000917769550 1068310556 /nfs/dbraw/zinc/31/05/56/1068310556.db2.gz FOOQTCZFPJEWBQ-UHFFFAOYSA-N 0 0 491.013 0.933 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O ZINC000917769571 1068310406 /nfs/dbraw/zinc/31/04/06/1068310406.db2.gz GOCBSZZIEYILAD-UHFFFAOYSA-N 0 0 491.013 0.932 20 30 JCEDRN Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000917769591 1068310584 /nfs/dbraw/zinc/31/05/84/1068310584.db2.gz HLVGXAMSYGXGCZ-UHFFFAOYSA-N 0 0 469.592 0.731 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O ZINC000917769595 1068310461 /nfs/dbraw/zinc/31/04/61/1068310461.db2.gz HTOCFYGMFONSBP-UHFFFAOYSA-N 0 0 488.997 0.686 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCN1CCOCC1 ZINC000917769693 1068310441 /nfs/dbraw/zinc/31/04/41/1068310441.db2.gz LPOSWCROFXQRGV-UHFFFAOYSA-N 0 0 457.600 0.922 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)s1 ZINC000917769699 1068310518 /nfs/dbraw/zinc/31/05/18/1068310518.db2.gz LVTUXDYBCJAOBY-UHFFFAOYSA-N 0 0 459.597 0.132 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCN1CCOCC1 ZINC000917769700 1068310356 /nfs/dbraw/zinc/31/03/56/1068310356.db2.gz LXPYBKGMZKZBQA-UHFFFAOYSA-N 0 0 472.615 0.221 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCN1CCOCC1 ZINC000917769850 1068310982 /nfs/dbraw/zinc/31/09/82/1068310982.db2.gz NTECYWVILLQALA-UHFFFAOYSA-N 0 0 478.578 0.551 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCN1CCOCC1 ZINC000917769904 1068310961 /nfs/dbraw/zinc/31/09/61/1068310961.db2.gz QTLKJXZWAJNQKH-UHFFFAOYSA-N 0 0 488.997 0.709 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCN1CCOCC1 ZINC000917769928 1068311094 /nfs/dbraw/zinc/31/10/94/1068311094.db2.gz SKGWVPRIQUPCJK-UHFFFAOYSA-N 0 0 486.642 0.469 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cn1 ZINC000917769940 1068310998 /nfs/dbraw/zinc/31/09/98/1068310998.db2.gz TWUDUFJJULMZFC-UHFFFAOYSA-N 0 0 484.626 0.319 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCOC ZINC000917769957 1068310885 /nfs/dbraw/zinc/31/08/85/1068310885.db2.gz ATYGQQCDPJVWAE-UHFFFAOYSA-N 0 0 451.932 0.484 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CCN3CCOCC3)c2=O)cn1 ZINC000917770050 1068310729 /nfs/dbraw/zinc/31/07/29/1068310729.db2.gz UIMVLVSGAJYVKX-UHFFFAOYSA-N 0 0 493.545 0.090 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCN1CCOCC1 ZINC000917770069 1068310764 /nfs/dbraw/zinc/31/07/64/1068310764.db2.gz VKDJRDAZARDRQD-UHFFFAOYSA-N 0 0 462.959 0.153 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCN1CCOCC1 ZINC000917770090 1068310837 /nfs/dbraw/zinc/31/08/37/1068310837.db2.gz WCFQUFSEUCCLGZ-UHFFFAOYSA-N 0 0 461.613 0.426 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCN1CCOCC1 ZINC000917770099 1068310854 /nfs/dbraw/zinc/31/08/54/1068310854.db2.gz WKCMLRAAEZAJNB-UHFFFAOYSA-N 0 0 491.639 0.053 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)s1 ZINC000917770111 1068310711 /nfs/dbraw/zinc/31/07/11/1068310711.db2.gz XBSMTUORJZTUAQ-UHFFFAOYSA-N 0 0 461.613 0.282 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)ccc3OC)c(=O)n2CCOC)CC1 ZINC000917770154 1068310903 /nfs/dbraw/zinc/31/09/03/1068310903.db2.gz FOPBTRSUZOZVRN-UHFFFAOYSA-N 0 0 491.013 0.885 20 30 JCEDRN COCCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000917770164 1068310801 /nfs/dbraw/zinc/31/08/01/1068310801.db2.gz GAKAGZCAHVWRDU-UHFFFAOYSA-N 0 0 455.536 0.889 20 30 JCEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)c1 ZINC000917770186 1068311586 /nfs/dbraw/zinc/31/15/86/1068311586.db2.gz GUCMCVDWBHKILS-UHFFFAOYSA-N 0 0 457.552 0.707 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCO4)c(=O)n2CCOC)CC1 ZINC000917770223 1068311344 /nfs/dbraw/zinc/31/13/44/1068311344.db2.gz IIOZVHAIURSBHV-UHFFFAOYSA-N 0 0 468.579 0.158 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCOC ZINC000917770243 1068311532 /nfs/dbraw/zinc/31/15/32/1068311532.db2.gz IXDZMMYTLFBYML-UHFFFAOYSA-N 0 0 465.959 0.874 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(Cl)ccc2OC)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000917770430 1068311507 /nfs/dbraw/zinc/31/15/07/1068311507.db2.gz MWCWQBKNDPCEEE-CYBMUJFWSA-N 0 0 465.959 0.872 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(Cl)ccc2OC)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000917770431 1068311552 /nfs/dbraw/zinc/31/15/52/1068311552.db2.gz MWCWQBKNDPCEEE-ZDUSSCGKSA-N 0 0 465.959 0.872 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOC ZINC000917770720 1068311472 /nfs/dbraw/zinc/31/14/72/1068311472.db2.gz NSOKMZITDOZOIF-UHFFFAOYSA-N 0 0 457.552 0.537 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NCCCOC(C)C ZINC000917770763 1068311570 /nfs/dbraw/zinc/31/15/70/1068311570.db2.gz PAMDETBXAFXXKD-UHFFFAOYSA-N 0 0 471.579 0.925 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCOC ZINC000917770785 1068311310 /nfs/dbraw/zinc/31/13/10/1068311310.db2.gz PQWXEZWNGJYQQD-UHFFFAOYSA-N 0 0 473.551 0.373 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3C)c2=O)s1 ZINC000917771030 1068311274 /nfs/dbraw/zinc/31/12/74/1068311274.db2.gz KFRVDXVLBPFVDH-UHFFFAOYSA-N 0 0 495.630 0.924 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000917771224 1068311411 /nfs/dbraw/zinc/31/14/11/1068311411.db2.gz SRCFTXKOOQNSHK-UHFFFAOYSA-N 0 0 451.504 0.904 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc(Cl)ccc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917771354 1068311430 /nfs/dbraw/zinc/31/14/30/1068311430.db2.gz VQFIUTBHEZYPRC-UHFFFAOYSA-N 0 0 463.943 0.580 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3cccc(C)c3)c2=O)s1 ZINC000917774389 1068311372 /nfs/dbraw/zinc/31/13/72/1068311372.db2.gz LNAXSNFRYMFLIR-UHFFFAOYSA-N 0 0 495.630 0.924 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)s1 ZINC000917775119 1068311451 /nfs/dbraw/zinc/31/14/51/1068311451.db2.gz XIBBSZIYJATLFE-UHFFFAOYSA-N 0 0 481.603 0.615 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccc(F)cc3)c2=O)s1 ZINC000917776453 1068311833 /nfs/dbraw/zinc/31/18/33/1068311833.db2.gz WKWXLNCMXUNZIN-UHFFFAOYSA-N 0 0 499.593 0.755 20 30 JCEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000917776902 1068311967 /nfs/dbraw/zinc/31/19/67/1068311967.db2.gz UTXMIPZRHQVSTI-UHFFFAOYSA-N 0 0 485.591 0.611 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(Cc3ccccc3)c2=O)s1 ZINC000917777021 1068311812 /nfs/dbraw/zinc/31/18/12/1068311812.db2.gz PFQRTPBCCMYVDO-UHFFFAOYSA-N 0 0 495.630 0.675 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(-c4ccccc4)nc3)c(=O)n2C)CC1 ZINC000917779517 1068311781 /nfs/dbraw/zinc/31/17/81/1068311781.db2.gz CWMCYULQUPUHJG-UHFFFAOYSA-N 0 0 460.563 0.571 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O ZINC000917779820 1068312026 /nfs/dbraw/zinc/31/20/26/1068312026.db2.gz KDATXAWXSLFSAY-UHFFFAOYSA-N 0 0 462.959 0.060 20 30 JCEDRN CCCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917780353 1068311731 /nfs/dbraw/zinc/31/17/31/1068311731.db2.gz HUUXBRIBLVHRNP-UHFFFAOYSA-N 0 0 486.642 0.613 20 30 JCEDRN CCn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917781683 1068312202 /nfs/dbraw/zinc/31/22/02/1068312202.db2.gz RPFJVHSECBVYOX-UHFFFAOYSA-N 0 0 490.589 0.338 20 30 JCEDRN CCn1c(=O)c(=Cc2cc(Cl)ccc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917781751 1068312231 /nfs/dbraw/zinc/31/22/31/1068312231.db2.gz UGNXJGZUTHJAGP-UHFFFAOYSA-N 0 0 476.986 0.543 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917783046 1068312497 /nfs/dbraw/zinc/31/24/97/1068312497.db2.gz FUUIDICLCAHGNZ-UHFFFAOYSA-N 0 0 487.582 0.176 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000917783061 1068312595 /nfs/dbraw/zinc/31/25/95/1068312595.db2.gz GKCKZPAIUFIMKZ-UHFFFAOYSA-N 0 0 471.583 0.940 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)c1ccc2c(c1)OCO2 ZINC000917783154 1068312555 /nfs/dbraw/zinc/31/25/55/1068312555.db2.gz IJWGJSOYRJJVEG-UHFFFAOYSA-N 0 0 480.502 0.711 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000917783232 1068312422 /nfs/dbraw/zinc/31/24/22/1068312422.db2.gz KFSWKTKYBDGOIM-UHFFFAOYSA-N 0 0 457.556 0.596 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCCC(=O)OC ZINC000917783248 1068312537 /nfs/dbraw/zinc/31/25/37/1068312537.db2.gz KPUZNIRDJFAGLP-UHFFFAOYSA-N 0 0 457.556 0.620 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCCC(=O)OC ZINC000917784069 1068312216 /nfs/dbraw/zinc/31/22/16/1068312216.db2.gz QIADSOMROIDCFB-UHFFFAOYSA-N 0 0 459.572 0.844 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000917784590 1068312266 /nfs/dbraw/zinc/31/22/66/1068312266.db2.gz ZIEBJMVZGGYUOR-UHFFFAOYSA-N 0 0 459.572 0.842 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917786118 1068312881 /nfs/dbraw/zinc/31/28/81/1068312881.db2.gz BATCGXHTODRWCF-UHFFFAOYSA-N 0 0 493.680 0.379 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917786160 1068312864 /nfs/dbraw/zinc/31/28/64/1068312864.db2.gz DYGVDQCDLGSUJV-UHFFFAOYSA-N 0 0 475.640 0.976 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCCSC ZINC000917786196 1068312794 /nfs/dbraw/zinc/31/27/94/1068312794.db2.gz GWCCZFJUQBCZJY-UHFFFAOYSA-N 0 0 463.629 0.880 20 30 JCEDRN CSCCCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917786386 1068312978 /nfs/dbraw/zinc/31/29/78/1068312978.db2.gz IYAQCWXCJAQVDQ-UHFFFAOYSA-N 0 0 450.611 0.790 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc4c(c3)OCCO4)c2=O)s1 ZINC000917787164 1068312844 /nfs/dbraw/zinc/31/28/44/1068312844.db2.gz CNUJLWKOIKQAGQ-UHFFFAOYSA-N 0 0 496.570 0.797 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000917787783 1068312959 /nfs/dbraw/zinc/31/29/59/1068312959.db2.gz LVILMUADMWRUDM-UHFFFAOYSA-N 0 0 484.559 0.701 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000917787954 1068312777 /nfs/dbraw/zinc/31/27/77/1068312777.db2.gz PCYPMKJVMDWXST-UHFFFAOYSA-N 0 0 465.535 0.871 20 30 JCEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cn1 ZINC000917791104 1068313493 /nfs/dbraw/zinc/31/34/93/1068313493.db2.gz FOUCKBOJTUECDY-UHFFFAOYSA-N 0 0 470.599 0.148 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)(C)C)c3)c(=O)n2C2CC2)CC1 ZINC000917791690 1068313246 /nfs/dbraw/zinc/31/32/46/1068313246.db2.gz NASGTUFZQGZFBE-UHFFFAOYSA-N 0 0 454.600 0.863 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O ZINC000917791811 1068313527 /nfs/dbraw/zinc/31/35/27/1068313527.db2.gz QTOAIWURGHPIAV-UHFFFAOYSA-N 0 0 488.997 0.858 20 30 JCEDRN CC(=O)Nc1cccc(-n2c(=O)c(=Cc3cnc(C)s3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000917792083 1068313394 /nfs/dbraw/zinc/31/33/94/1068313394.db2.gz VMCIZZGEXSPWIK-UHFFFAOYSA-N 0 0 495.586 0.984 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1cccc(NC(C)=O)c1 ZINC000917792192 1068313342 /nfs/dbraw/zinc/31/33/42/1068313342.db2.gz XHYACOZGZYQUTR-UHFFFAOYSA-N 0 0 483.575 0.888 20 30 JCEDRN C[C@H](c1ccccc1)n1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917794093 1068313408 /nfs/dbraw/zinc/31/34/08/1068313408.db2.gz BUUFKRBRVDARCD-GOSISDBHSA-N 0 0 492.605 0.204 20 30 JCEDRN C[C@@H](c1ccccc1)n1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917794094 1068313373 /nfs/dbraw/zinc/31/33/73/1068313373.db2.gz BUUFKRBRVDARCD-SFHVURJKSA-N 0 0 492.605 0.204 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1ccccc1 ZINC000917794773 1068313588 /nfs/dbraw/zinc/31/35/88/1068313588.db2.gz LOTPKOWJPCZYBV-INIZCTEOSA-N 0 0 451.552 0.908 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1ccccc1 ZINC000917794774 1068313292 /nfs/dbraw/zinc/31/32/92/1068313292.db2.gz LOTPKOWJPCZYBV-MRXNPFEDSA-N 0 0 451.552 0.908 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1ccccc1 ZINC000917794970 1068313544 /nfs/dbraw/zinc/31/35/44/1068313544.db2.gz ORVVDTMZJYVNCI-CVEARBPZSA-N 0 0 451.552 0.907 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1ccccc1 ZINC000917794971 1068313443 /nfs/dbraw/zinc/31/34/43/1068313443.db2.gz ORVVDTMZJYVNCI-HOTGVXAUSA-N 0 0 451.552 0.907 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1ccccc1 ZINC000917794972 1068313214 /nfs/dbraw/zinc/31/32/14/1068313214.db2.gz ORVVDTMZJYVNCI-HZPDHXFCSA-N 0 0 451.552 0.907 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1ccccc1 ZINC000917794973 1068313511 /nfs/dbraw/zinc/31/35/11/1068313511.db2.gz ORVVDTMZJYVNCI-JKSUJKDBSA-N 0 0 451.552 0.907 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@H](C)c2ccccc2)CC1 ZINC000917794980 1068313460 /nfs/dbraw/zinc/31/34/60/1068313460.db2.gz OZDGQCGTJIOPQZ-GOSISDBHSA-N 0 0 476.606 0.920 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@@H](C)c2ccccc2)CC1 ZINC000917794981 1068313308 /nfs/dbraw/zinc/31/33/08/1068313308.db2.gz OZDGQCGTJIOPQZ-SFHVURJKSA-N 0 0 476.606 0.920 20 30 JCEDRN Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2C#N)c1=O ZINC000917795108 1068313852 /nfs/dbraw/zinc/31/38/52/1068313852.db2.gz FXQQSRCEJSRUAM-UHFFFAOYSA-N 0 0 474.546 0.483 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C#N ZINC000917795268 1068314110 /nfs/dbraw/zinc/31/41/10/1068314110.db2.gz KLBWKCCOLLIZQE-UHFFFAOYSA-N 0 0 462.535 0.387 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C#N ZINC000917795776 1068313831 /nfs/dbraw/zinc/31/38/31/1068313831.db2.gz WMNOSKPJLZISAU-UHFFFAOYSA-N 0 0 476.562 0.777 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(-c3ccccc3C#N)c2=O)cn1 ZINC000917798385 1068314054 /nfs/dbraw/zinc/31/40/54/1068314054.db2.gz BPVLMMJZCWTOHX-UHFFFAOYSA-N 0 0 456.487 0.917 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccccc1C#N ZINC000917798531 1068314039 /nfs/dbraw/zinc/31/40/39/1068314039.db2.gz CHGXXEVQKCQASR-UHFFFAOYSA-N 0 0 476.562 0.988 20 30 JCEDRN CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N ZINC000917799012 1068314092 /nfs/dbraw/zinc/31/40/92/1068314092.db2.gz JVOMCDUPRNUDRS-UHFFFAOYSA-N 0 0 476.562 0.939 20 30 JCEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N ZINC000917799201 1068313889 /nfs/dbraw/zinc/31/38/89/1068313889.db2.gz MOMWKLZWDZERDG-UHFFFAOYSA-N 0 0 462.535 0.550 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccccc1C#N ZINC000917799558 1068314127 /nfs/dbraw/zinc/31/41/27/1068314127.db2.gz PQTBNTFFLGIJKI-UHFFFAOYSA-N 0 0 451.533 0.801 20 30 JCEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C#N)c2=O)s1 ZINC000917799622 1068313941 /nfs/dbraw/zinc/31/39/41/1068313941.db2.gz QOVPGFODXLGMHH-UHFFFAOYSA-N 0 0 463.544 0.897 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccccc1C#N ZINC000917800031 1068314081 /nfs/dbraw/zinc/31/40/81/1068314081.db2.gz VDHUJPVVWIWZQU-UHFFFAOYSA-N 0 0 497.540 0.617 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccccc2C#N)CC1 ZINC000917800037 1068313978 /nfs/dbraw/zinc/31/39/78/1068313978.db2.gz VHOSMJLBKMWWTI-UHFFFAOYSA-N 0 0 473.562 0.171 20 30 JCEDRN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000917863214 1068317145 /nfs/dbraw/zinc/31/71/45/1068317145.db2.gz NWLMAEKHUUQSBH-UHFFFAOYSA-N 0 0 467.529 0.462 20 30 JCEDRN N#Cc1ccc(NCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 ZINC000917879793 1068324475 /nfs/dbraw/zinc/32/44/75/1068324475.db2.gz JCZMRXKONFVSDU-UHFFFAOYSA-N 0 0 451.530 0.365 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000917888514 1068329444 /nfs/dbraw/zinc/32/94/44/1068329444.db2.gz VCHXZSRUBDUTGW-UHFFFAOYSA-N 0 0 464.544 0.669 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000917911636 1068333751 /nfs/dbraw/zinc/33/37/51/1068333751.db2.gz JNQJQEGJPGSGPK-UHFFFAOYSA-N 0 0 483.593 0.965 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)c1 ZINC000917921178 1068336730 /nfs/dbraw/zinc/33/67/30/1068336730.db2.gz OJHFBDJLYYIUHJ-JOCHJYFZSA-N 0 0 470.507 0.990 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)c1 ZINC000917921179 1068336895 /nfs/dbraw/zinc/33/68/95/1068336895.db2.gz OJHFBDJLYYIUHJ-QFIPXVFZSA-N 0 0 470.507 0.990 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000917922233 1068336914 /nfs/dbraw/zinc/33/69/14/1068336914.db2.gz MKRRSSUVMCTOLO-UHFFFAOYSA-N 0 0 477.564 0.948 20 30 JCEDRN C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000917922976 1068336681 /nfs/dbraw/zinc/33/66/81/1068336681.db2.gz FTINAKCMAQKNGV-UHFFFAOYSA-N 0 0 463.537 0.606 20 30 JCEDRN C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)c1 ZINC000917923759 1068330795 /nfs/dbraw/zinc/33/07/95/1068330795.db2.gz BZQVUZTXGQBJJJ-NRFANRHFSA-N 0 0 456.480 0.648 20 30 JCEDRN C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)c1 ZINC000917923762 1068330810 /nfs/dbraw/zinc/33/08/10/1068330810.db2.gz BZQVUZTXGQBJJJ-OAQYLSRUSA-N 0 0 456.480 0.648 20 30 JCEDRN C#Cc1cccc(NC(=O)CNS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000917924006 1068331514 /nfs/dbraw/zinc/33/15/14/1068331514.db2.gz LBCQSPMVFASYTM-UHFFFAOYSA-N 0 0 453.517 0.986 20 30 JCEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000917925840 1068331788 /nfs/dbraw/zinc/33/17/88/1068331788.db2.gz RKPYMPJNPDPGSY-INIZCTEOSA-N 0 0 460.599 0.672 20 30 JCEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000917925841 1068332038 /nfs/dbraw/zinc/33/20/38/1068332038.db2.gz RKPYMPJNPDPGSY-MRXNPFEDSA-N 0 0 460.599 0.672 20 30 JCEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000917926197 1068331805 /nfs/dbraw/zinc/33/18/05/1068331805.db2.gz YSOKHXKIYSHCND-JTQLQIEISA-N 0 0 463.331 0.591 20 30 JCEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000917926198 1068331941 /nfs/dbraw/zinc/33/19/41/1068331941.db2.gz YSOKHXKIYSHCND-SNVBAGLBSA-N 0 0 463.331 0.591 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000917931095 1068339144 /nfs/dbraw/zinc/33/91/44/1068339144.db2.gz UFMIMGJQVPHJRJ-UHFFFAOYSA-N 0 0 466.560 0.960 20 30 JCEDRN C[C@H]1Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc2N1S(C)(=O)=O ZINC000917937055 1068340513 /nfs/dbraw/zinc/34/05/13/1068340513.db2.gz AMIOFSHDHZKSDC-AWEZNQCLSA-N 0 0 491.547 0.973 20 30 JCEDRN C[C@@H]1Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc2N1S(C)(=O)=O ZINC000917937056 1068340472 /nfs/dbraw/zinc/34/04/72/1068340472.db2.gz AMIOFSHDHZKSDC-CQSZACIVSA-N 0 0 491.547 0.973 20 30 JCEDRN Cn1c2nnc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n2c2ccccc2c1=O ZINC000917937415 1068340586 /nfs/dbraw/zinc/34/05/86/1068340586.db2.gz HKAJHNNUKAWERO-UHFFFAOYSA-N 0 0 452.452 0.475 20 30 JCEDRN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC000917937752 1068340393 /nfs/dbraw/zinc/34/03/93/1068340393.db2.gz IUXJFJAEJATOJG-UHFFFAOYSA-N 0 0 491.547 0.975 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000917937850 1068340332 /nfs/dbraw/zinc/34/03/32/1068340332.db2.gz JWTZYCUQYDHXID-UHFFFAOYSA-N 0 0 476.536 0.426 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000917941936 1068337184 /nfs/dbraw/zinc/33/71/84/1068337184.db2.gz YFYCULOXOKELJS-UHFFFAOYSA-N 0 0 476.536 0.426 20 30 JCEDRN Cn1c2nnc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000917942009 1068337167 /nfs/dbraw/zinc/33/71/67/1068337167.db2.gz ZRULNNYEFLXANJ-UHFFFAOYSA-N 0 0 452.452 0.475 20 30 JCEDRN C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc2n1c1ccccc1c(=O)n2C ZINC000917947974 1068337983 /nfs/dbraw/zinc/33/79/83/1068337983.db2.gz INPNVEWPENUPKP-GFCCVEGCSA-N 0 0 466.479 0.752 20 30 JCEDRN C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000917948039 1068338250 /nfs/dbraw/zinc/33/82/50/1068338250.db2.gz NIVGQGBWUOATSC-CQSZACIVSA-N 0 0 490.563 0.703 20 30 JCEDRN CCCC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000917979607 1068343660 /nfs/dbraw/zinc/34/36/60/1068343660.db2.gz QCIJXQZHPRRZRG-IBGZPJMESA-N 0 0 490.582 0.973 20 30 JCEDRN CCCC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000917979608 1068343902 /nfs/dbraw/zinc/34/39/02/1068343902.db2.gz QCIJXQZHPRRZRG-LJQANCHMSA-N 0 0 490.582 0.973 20 30 JCEDRN CCC[C@H](C)N1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000917981867 1068344028 /nfs/dbraw/zinc/34/40/28/1068344028.db2.gz NENZGVAGTPDLKM-HKUYNNGSSA-N 0 0 490.582 0.971 20 30 JCEDRN CCC[C@@H](C)N1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000917981895 1068343679 /nfs/dbraw/zinc/34/36/79/1068343679.db2.gz NENZGVAGTPDLKM-IEBWSBKVSA-N 0 0 490.582 0.971 20 30 JCEDRN CCC[C@@H](C)N1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000917981897 1068343695 /nfs/dbraw/zinc/34/36/95/1068343695.db2.gz NENZGVAGTPDLKM-MJGOQNOKSA-N 0 0 490.582 0.971 20 30 JCEDRN CCC[C@H](C)N1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000917981899 1068344048 /nfs/dbraw/zinc/34/40/48/1068344048.db2.gz NENZGVAGTPDLKM-PKOBYXMFSA-N 0 0 490.582 0.971 20 30 JCEDRN C[C@H]1Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc2N1S(C)(=O)=O ZINC000917984231 1068341481 /nfs/dbraw/zinc/34/14/81/1068341481.db2.gz CPADGWORMRPFNG-AWEZNQCLSA-N 0 0 491.547 0.973 20 30 JCEDRN C[C@@H]1Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc2N1S(C)(=O)=O ZINC000917984233 1068341693 /nfs/dbraw/zinc/34/16/93/1068341693.db2.gz CPADGWORMRPFNG-CQSZACIVSA-N 0 0 491.547 0.973 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000917985402 1068342105 /nfs/dbraw/zinc/34/21/05/1068342105.db2.gz IREPUVJTJHKDQP-UHFFFAOYSA-N 0 0 476.536 0.426 20 30 JCEDRN Cn1c2nnc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)n2c2ccccc2c1=O ZINC000917985453 1068341962 /nfs/dbraw/zinc/34/19/62/1068341962.db2.gz JDBVHACESXEFHN-UHFFFAOYSA-N 0 0 452.452 0.475 20 30 JCEDRN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc21 ZINC000917986511 1068341838 /nfs/dbraw/zinc/34/18/38/1068341838.db2.gz PZVBBSGWYSIYRK-UHFFFAOYSA-N 0 0 491.547 0.975 20 30 JCEDRN CC(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000917988711 1068342088 /nfs/dbraw/zinc/34/20/88/1068342088.db2.gz STJCTRDQLMPUGK-GOSISDBHSA-N 0 0 476.555 0.581 20 30 JCEDRN CC(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000917988712 1068342014 /nfs/dbraw/zinc/34/20/14/1068342014.db2.gz STJCTRDQLMPUGK-SFHVURJKSA-N 0 0 476.555 0.581 20 30 JCEDRN CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000917991233 1068342402 /nfs/dbraw/zinc/34/24/02/1068342402.db2.gz NUDAWGVZAVBPBA-GOSISDBHSA-N 0 0 476.555 0.725 20 30 JCEDRN CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000917991234 1068342497 /nfs/dbraw/zinc/34/24/97/1068342497.db2.gz NUDAWGVZAVBPBA-SFHVURJKSA-N 0 0 476.555 0.725 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)ccc1F ZINC000918002274 1068346188 /nfs/dbraw/zinc/34/61/88/1068346188.db2.gz YEYKUYQJDGHNSP-UHFFFAOYSA-N 0 0 459.507 0.929 20 30 JCEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1cccc(C(N)=O)c1 ZINC000918023523 1068347808 /nfs/dbraw/zinc/34/78/08/1068347808.db2.gz YMGQCIBFSZJOOH-UHFFFAOYSA-N 0 0 455.540 0.622 20 30 JCEDRN CCNC(=O)CN1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918086805 1068358150 /nfs/dbraw/zinc/35/81/50/1068358150.db2.gz PXOBRTLBOTZHIB-UHFFFAOYSA-N 0 0 463.604 0.956 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(=O)NCC)CC1 ZINC000918087972 1068358100 /nfs/dbraw/zinc/35/81/00/1068358100.db2.gz UXIRARJWQSVPBK-GOSISDBHSA-N 0 0 463.604 0.954 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(=O)NCC)CC1 ZINC000918087974 1068358266 /nfs/dbraw/zinc/35/82/66/1068358266.db2.gz UXIRARJWQSVPBK-SFHVURJKSA-N 0 0 463.604 0.954 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(N2CCCS2(=O)=O)ccc1O ZINC000918093287 1068358775 /nfs/dbraw/zinc/35/87/75/1068358775.db2.gz RAQQENLLDIXMHW-UHFFFAOYSA-N 0 0 450.498 0.609 20 30 JCEDRN NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918097297 1068359448 /nfs/dbraw/zinc/35/94/48/1068359448.db2.gz DZTKLCWOSBQGIJ-UHFFFAOYSA-N 0 0 469.523 0.701 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(N2CCCS2(=O)=O)ccc1O ZINC000918098316 1068360563 /nfs/dbraw/zinc/36/05/63/1068360563.db2.gz WGFXPDIFZIQCTI-UHFFFAOYSA-N 0 0 464.525 0.999 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000918105941 1068359180 /nfs/dbraw/zinc/35/91/80/1068359180.db2.gz NZTUGPYMDSUCQH-IBGZPJMESA-N 0 0 471.587 0.478 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCN(c2ncccn2)CC1 ZINC000918107658 1068360195 /nfs/dbraw/zinc/36/01/95/1068360195.db2.gz SAVOKIGXQIUTOE-UHFFFAOYSA-N 0 0 457.560 0.234 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000918127281 1068362321 /nfs/dbraw/zinc/36/23/21/1068362321.db2.gz CYOKIZYAZNLXTE-UHFFFAOYSA-N 0 0 450.561 0.881 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918127833 1068362492 /nfs/dbraw/zinc/36/24/92/1068362492.db2.gz NBTKORGTKSVYOC-UHFFFAOYSA-N 0 0 465.576 0.784 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000918137740 1068364039 /nfs/dbraw/zinc/36/40/39/1068364039.db2.gz CJPVTPWGWGXYSW-UHFFFAOYSA-N 0 0 457.535 0.864 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000918140460 1068365048 /nfs/dbraw/zinc/36/50/48/1068365048.db2.gz VVVAIUUCWBGECW-UHFFFAOYSA-N 0 0 457.535 0.864 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000918164549 1068366410 /nfs/dbraw/zinc/36/64/10/1068366410.db2.gz WISQTDYKRBOQEH-DYTRJAOYSA-N 0 0 456.590 0.949 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000918164550 1068366469 /nfs/dbraw/zinc/36/64/69/1068366469.db2.gz WISQTDYKRBOQEH-UZYVYHOESA-N 0 0 456.590 0.949 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000918170533 1068365923 /nfs/dbraw/zinc/36/59/23/1068365923.db2.gz SPNOSARAONZFBQ-DYTRJAOYSA-N 0 0 456.590 0.949 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000918170534 1068365742 /nfs/dbraw/zinc/36/57/42/1068365742.db2.gz SPNOSARAONZFBQ-UZYVYHOESA-N 0 0 456.590 0.949 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000918172797 1068366397 /nfs/dbraw/zinc/36/63/97/1068366397.db2.gz HTXVVHCRHOPIGN-UHFFFAOYSA-N 0 0 487.559 0.372 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000918172834 1068366626 /nfs/dbraw/zinc/36/66/26/1068366626.db2.gz JDDHNJCNBVTPFX-UHFFFAOYSA-N 0 0 475.592 0.522 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)c1nnc2n1CCCCC2 ZINC000918173938 1068366365 /nfs/dbraw/zinc/36/63/65/1068366365.db2.gz NMVAAZJTMUQPAD-UHFFFAOYSA-N 0 0 499.618 0.829 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOC ZINC000918173973 1068366535 /nfs/dbraw/zinc/36/65/35/1068366535.db2.gz OMICLOKMVHZDKX-UHFFFAOYSA-N 0 0 463.581 0.379 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)Nc1ccccn1 ZINC000918174640 1068366552 /nfs/dbraw/zinc/36/65/52/1068366552.db2.gz UWDLIIPBQOFYBZ-UHFFFAOYSA-N 0 0 484.559 0.496 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCC(C)C ZINC000918174694 1068367171 /nfs/dbraw/zinc/36/71/71/1068367171.db2.gz VUJNXBRIOIDMAO-UHFFFAOYSA-N 0 0 463.581 0.235 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000918175297 1068367158 /nfs/dbraw/zinc/36/71/58/1068367158.db2.gz XLRSHHQNEACXGN-UHFFFAOYSA-N 0 0 461.565 0.085 20 30 JCEDRN C=CCn1c(-c2cccnc2)nn(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1=S ZINC000918179779 1068367525 /nfs/dbraw/zinc/36/75/25/1068367525.db2.gz GJJKJXCVTQLSMD-UHFFFAOYSA-N 0 0 455.544 0.913 20 30 JCEDRN C=CCn1c(-c2ccncc2)nn(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1=S ZINC000918179873 1068367638 /nfs/dbraw/zinc/36/76/38/1068367638.db2.gz HWRIAWFNSATBOY-UHFFFAOYSA-N 0 0 455.544 0.913 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1=O ZINC000918181047 1068368203 /nfs/dbraw/zinc/36/82/03/1068368203.db2.gz PQRZNEVDDARNPL-UHFFFAOYSA-N 0 0 460.922 0.900 20 30 JCEDRN C=CCn1c2nn(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c(=S)n2c2ccccc2c1=O ZINC000918181576 1068368343 /nfs/dbraw/zinc/36/83/43/1068368343.db2.gz PYEZTRNLJSMRFN-UHFFFAOYSA-N 0 0 495.565 0.617 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000918193538 1068369288 /nfs/dbraw/zinc/36/92/88/1068369288.db2.gz ABUNSCKSIMNWFH-UHFFFAOYSA-N 0 0 460.350 0.844 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000918237088 1068371450 /nfs/dbraw/zinc/37/14/50/1068371450.db2.gz MVHLEJMUPXDJCZ-UHFFFAOYSA-N 0 0 470.555 0.453 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000918237702 1068371425 /nfs/dbraw/zinc/37/14/25/1068371425.db2.gz IECWECNNYJZEFJ-HKOYGPOVSA-N 0 0 493.567 0.402 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000918237703 1068371403 /nfs/dbraw/zinc/37/14/03/1068371403.db2.gz IECWECNNYJZEFJ-MOHJPFBDSA-N 0 0 493.567 0.402 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1 ZINC000918238330 1068371380 /nfs/dbraw/zinc/37/13/80/1068371380.db2.gz ADQFLRJAKAMMQP-NKFKGCMQSA-N 0 0 451.549 0.276 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1 ZINC000918238331 1068371478 /nfs/dbraw/zinc/37/14/78/1068371478.db2.gz ADQFLRJAKAMMQP-PTGBLXJZSA-N 0 0 451.549 0.276 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000918238505 1068371255 /nfs/dbraw/zinc/37/12/55/1068371255.db2.gz XNXPDBNXBADBSI-HKOYGPOVSA-N 0 0 493.567 0.402 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000918238506 1068371285 /nfs/dbraw/zinc/37/12/85/1068371285.db2.gz XNXPDBNXBADBSI-MOHJPFBDSA-N 0 0 493.567 0.402 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000918238712 1068371926 /nfs/dbraw/zinc/37/19/26/1068371926.db2.gz MIPLPYIGNKYORJ-NKFKGCMQSA-N 0 0 451.549 0.276 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000918238713 1068372183 /nfs/dbraw/zinc/37/21/83/1068372183.db2.gz MIPLPYIGNKYORJ-PTGBLXJZSA-N 0 0 451.549 0.276 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000918241728 1068382675 /nfs/dbraw/zinc/38/26/75/1068382675.db2.gz LHPGIGXLYVJBKE-HKOYGPOVSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000918241729 1068383082 /nfs/dbraw/zinc/38/30/82/1068383082.db2.gz LHPGIGXLYVJBKE-MOHJPFBDSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000918241775 1068383016 /nfs/dbraw/zinc/38/30/16/1068383016.db2.gz MTQUAYWUCGXDAO-HKOYGPOVSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000918241776 1068383048 /nfs/dbraw/zinc/38/30/48/1068383048.db2.gz MTQUAYWUCGXDAO-MOHJPFBDSA-N 0 0 465.576 0.665 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)c1 ZINC000918244503 1068374322 /nfs/dbraw/zinc/37/43/22/1068374322.db2.gz CZRDVNJVPSDFCN-JCMHNJIXSA-N 0 0 499.596 0.463 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)c1 ZINC000918244505 1068374172 /nfs/dbraw/zinc/37/41/72/1068374172.db2.gz CZRDVNJVPSDFCN-PXLXIMEGSA-N 0 0 499.596 0.463 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000918246993 1068374725 /nfs/dbraw/zinc/37/47/25/1068374725.db2.gz YVMWHFYQEQEGNB-JCMHNJIXSA-N 0 0 499.596 0.463 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000918246994 1068374820 /nfs/dbraw/zinc/37/48/20/1068374820.db2.gz YVMWHFYQEQEGNB-PXLXIMEGSA-N 0 0 499.596 0.463 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1 ZINC000918247668 1068374463 /nfs/dbraw/zinc/37/44/63/1068374463.db2.gz COSVLITVYUYKAV-JJIBRWJFSA-N 0 0 461.500 0.464 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1 ZINC000918247669 1068374746 /nfs/dbraw/zinc/37/47/46/1068374746.db2.gz COSVLITVYUYKAV-ULJHMMPZSA-N 0 0 461.500 0.464 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)c1 ZINC000918249430 1068375142 /nfs/dbraw/zinc/37/51/42/1068375142.db2.gz YHJGAEILTAQKKY-JJIBRWJFSA-N 0 0 461.500 0.464 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)c1 ZINC000918249431 1068375222 /nfs/dbraw/zinc/37/52/22/1068375222.db2.gz YHJGAEILTAQKKY-ULJHMMPZSA-N 0 0 461.500 0.464 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)cc1 ZINC000918252719 1068375871 /nfs/dbraw/zinc/37/58/71/1068375871.db2.gz GMRSJOSZSFSHJM-LGUFXXKBSA-N 0 0 471.539 0.984 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)cc1 ZINC000918252720 1068376679 /nfs/dbraw/zinc/37/66/79/1068376679.db2.gz GMRSJOSZSFSHJM-XHPQRKPJSA-N 0 0 471.539 0.984 20 30 JCEDRN CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCOCC1 ZINC000918252999 1068376695 /nfs/dbraw/zinc/37/66/95/1068376695.db2.gz MOKXXUZDTMDYQA-RPYJSOBJSA-N 0 0 479.603 0.911 20 30 JCEDRN CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCOCC1 ZINC000918253000 1068376559 /nfs/dbraw/zinc/37/65/59/1068376559.db2.gz MOKXXUZDTMDYQA-UINQJLALSA-N 0 0 479.603 0.911 20 30 JCEDRN CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCOCC1 ZINC000918253003 1068376735 /nfs/dbraw/zinc/37/67/35/1068376735.db2.gz MOKXXUZDTMDYQA-XZSXMJNUSA-N 0 0 479.603 0.911 20 30 JCEDRN CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCOCC1 ZINC000918253007 1068376790 /nfs/dbraw/zinc/37/67/90/1068376790.db2.gz MOKXXUZDTMDYQA-ZBCDYPQOSA-N 0 0 479.603 0.911 20 30 JCEDRN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCOCC1 ZINC000918253646 1068376962 /nfs/dbraw/zinc/37/69/62/1068376962.db2.gz XGIUGWPWYXIQLE-RPYJSOBJSA-N 0 0 479.603 0.911 20 30 JCEDRN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCOCC1 ZINC000918253647 1068376828 /nfs/dbraw/zinc/37/68/28/1068376828.db2.gz XGIUGWPWYXIQLE-UINQJLALSA-N 0 0 479.603 0.911 20 30 JCEDRN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCOCC1 ZINC000918253649 1068376859 /nfs/dbraw/zinc/37/68/59/1068376859.db2.gz XGIUGWPWYXIQLE-XZSXMJNUSA-N 0 0 479.603 0.911 20 30 JCEDRN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCOCC1 ZINC000918253651 1068377137 /nfs/dbraw/zinc/37/71/37/1068377137.db2.gz XGIUGWPWYXIQLE-ZBCDYPQOSA-N 0 0 479.603 0.911 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)cc1 ZINC000918253703 1068377283 /nfs/dbraw/zinc/37/72/83/1068377283.db2.gz XZLFMYFXWTWBTQ-JJIBRWJFSA-N 0 0 461.500 0.577 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)cc1 ZINC000918253704 1068377386 /nfs/dbraw/zinc/37/73/86/1068377386.db2.gz XZLFMYFXWTWBTQ-ULJHMMPZSA-N 0 0 461.500 0.577 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)c1 ZINC000918253726 1068377270 /nfs/dbraw/zinc/37/72/70/1068377270.db2.gz YMTCYCRUKLFXMS-LGUFXXKBSA-N 0 0 471.539 0.984 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)c1 ZINC000918253727 1068377348 /nfs/dbraw/zinc/37/73/48/1068377348.db2.gz YMTCYCRUKLFXMS-XHPQRKPJSA-N 0 0 471.539 0.984 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000918254052 1068377508 /nfs/dbraw/zinc/37/75/08/1068377508.db2.gz GIWWWTRFVIXFQW-NCELDCMTSA-N 0 0 475.571 0.955 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000918254054 1068377331 /nfs/dbraw/zinc/37/73/31/1068377331.db2.gz GIWWWTRFVIXFQW-PLRJNAJWSA-N 0 0 475.571 0.955 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)c1 ZINC000918254058 1068377366 /nfs/dbraw/zinc/37/73/66/1068377366.db2.gz GLGWPNLZBYEQLW-JJIBRWJFSA-N 0 0 461.500 0.577 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)c1 ZINC000918254060 1068377405 /nfs/dbraw/zinc/37/74/05/1068377405.db2.gz GLGWPNLZBYEQLW-ULJHMMPZSA-N 0 0 461.500 0.577 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)cc1 ZINC000918254669 1068378001 /nfs/dbraw/zinc/37/80/01/1068378001.db2.gz LIUKYFGCCHBZMO-CDTGLVORSA-N 0 0 462.528 0.998 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)cc1 ZINC000918254673 1068378035 /nfs/dbraw/zinc/37/80/35/1068378035.db2.gz LIUKYFGCCHBZMO-KHJVFXTQSA-N 0 0 462.528 0.998 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)cc1 ZINC000918254677 1068377936 /nfs/dbraw/zinc/37/79/36/1068377936.db2.gz LIUKYFGCCHBZMO-TZBHCYISSA-N 0 0 462.528 0.998 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)cc1 ZINC000918254680 1068377985 /nfs/dbraw/zinc/37/79/85/1068377985.db2.gz LIUKYFGCCHBZMO-ZLVLUESYSA-N 0 0 462.528 0.998 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)c1 ZINC000918254740 1068377970 /nfs/dbraw/zinc/37/79/70/1068377970.db2.gz MHTIYOCWEMAAHL-CDTGLVORSA-N 0 0 462.528 0.998 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)c1 ZINC000918254744 1068377822 /nfs/dbraw/zinc/37/78/22/1068377822.db2.gz MHTIYOCWEMAAHL-KHJVFXTQSA-N 0 0 462.528 0.998 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)c1 ZINC000918254746 1068377806 /nfs/dbraw/zinc/37/78/06/1068377806.db2.gz MHTIYOCWEMAAHL-TZBHCYISSA-N 0 0 462.528 0.998 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)c1 ZINC000918254747 1068378053 /nfs/dbraw/zinc/37/80/53/1068378053.db2.gz MHTIYOCWEMAAHL-ZLVLUESYSA-N 0 0 462.528 0.998 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1 ZINC000918254777 1068377653 /nfs/dbraw/zinc/37/76/53/1068377653.db2.gz MWEFPZLZMZACEY-NCELDCMTSA-N 0 0 475.571 0.955 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1 ZINC000918254784 1068377694 /nfs/dbraw/zinc/37/76/94/1068377694.db2.gz MWEFPZLZMZACEY-PLRJNAJWSA-N 0 0 475.571 0.955 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)c1 ZINC000918257820 1068378951 /nfs/dbraw/zinc/37/89/51/1068378951.db2.gz LOXYEVFODQQTLJ-DIBXZPPDSA-N 0 0 482.526 0.730 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)c1 ZINC000918257821 1068379115 /nfs/dbraw/zinc/37/91/15/1068379115.db2.gz LOXYEVFODQQTLJ-ZXVVBBHZSA-N 0 0 482.526 0.730 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)cc1 ZINC000918258315 1068378827 /nfs/dbraw/zinc/37/88/27/1068378827.db2.gz RZGJJKARMJYASO-DIBXZPPDSA-N 0 0 482.526 0.730 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)cc1 ZINC000918258316 1068378808 /nfs/dbraw/zinc/37/88/08/1068378808.db2.gz RZGJJKARMJYASO-ZXVVBBHZSA-N 0 0 482.526 0.730 20 30 JCEDRN C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918259951 1068379593 /nfs/dbraw/zinc/37/95/93/1068379593.db2.gz KHIOPQJNETYPSR-ACNSNUFOSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918259953 1068379419 /nfs/dbraw/zinc/37/94/19/1068379419.db2.gz KHIOPQJNETYPSR-CVIUTVQRSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918259955 1068379579 /nfs/dbraw/zinc/37/95/79/1068379579.db2.gz KHIOPQJNETYPSR-SAZKUCFMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918259956 1068379649 /nfs/dbraw/zinc/37/96/49/1068379649.db2.gz KHIOPQJNETYPSR-VKWHMPGMSA-N 0 0 451.549 0.275 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c1 ZINC000918260168 1068379444 /nfs/dbraw/zinc/37/94/44/1068379444.db2.gz GCXUIFCFOMWZPJ-ITYLOYPMSA-N 0 0 472.527 0.379 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c1 ZINC000918260170 1068379458 /nfs/dbraw/zinc/37/94/58/1068379458.db2.gz GCXUIFCFOMWZPJ-NLRVBDNBSA-N 0 0 472.527 0.379 20 30 JCEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCOCC1 ZINC000918260547 1068379568 /nfs/dbraw/zinc/37/95/68/1068379568.db2.gz JYAUKJPCMSYFOW-ACNSNUFOSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCOCC1 ZINC000918260548 1068379736 /nfs/dbraw/zinc/37/97/36/1068379736.db2.gz JYAUKJPCMSYFOW-CVIUTVQRSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1CCOCC1 ZINC000918260549 1068379481 /nfs/dbraw/zinc/37/94/81/1068379481.db2.gz JYAUKJPCMSYFOW-SAZKUCFMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1CCOCC1 ZINC000918260550 1068379624 /nfs/dbraw/zinc/37/96/24/1068379624.db2.gz JYAUKJPCMSYFOW-VKWHMPGMSA-N 0 0 451.549 0.275 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1 ZINC000918260814 1068379727 /nfs/dbraw/zinc/37/97/27/1068379727.db2.gz LJRPNNAIYOYVDW-ITYLOYPMSA-N 0 0 472.527 0.379 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1 ZINC000918260815 1068380202 /nfs/dbraw/zinc/38/02/02/1068380202.db2.gz LJRPNNAIYOYVDW-NLRVBDNBSA-N 0 0 472.527 0.379 20 30 JCEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCOCC1 ZINC000918261411 1068380322 /nfs/dbraw/zinc/38/03/22/1068380322.db2.gz QJKMRUPUGFWQPK-ACNSNUFOSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCOCC1 ZINC000918261413 1068380273 /nfs/dbraw/zinc/38/02/73/1068380273.db2.gz QJKMRUPUGFWQPK-CVIUTVQRSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1CCOCC1 ZINC000918261415 1068380077 /nfs/dbraw/zinc/38/00/77/1068380077.db2.gz QJKMRUPUGFWQPK-SAZKUCFMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1CCOCC1 ZINC000918261417 1068380173 /nfs/dbraw/zinc/38/01/73/1068380173.db2.gz QJKMRUPUGFWQPK-VKWHMPGMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918261640 1068380028 /nfs/dbraw/zinc/38/00/28/1068380028.db2.gz XSRUCEZEIPIWAW-ACNSNUFOSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918261641 1068380842 /nfs/dbraw/zinc/38/08/42/1068380842.db2.gz XSRUCEZEIPIWAW-CVIUTVQRSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918261642 1068380804 /nfs/dbraw/zinc/38/08/04/1068380804.db2.gz XSRUCEZEIPIWAW-SAZKUCFMSA-N 0 0 451.549 0.275 20 30 JCEDRN C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918261643 1068380947 /nfs/dbraw/zinc/38/09/47/1068380947.db2.gz XSRUCEZEIPIWAW-VKWHMPGMSA-N 0 0 451.549 0.275 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cc1 ZINC000918262164 1068380880 /nfs/dbraw/zinc/38/08/80/1068380880.db2.gz JQPANUPOFBYGGB-BWAHOGKJSA-N 0 0 457.512 0.853 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cc1 ZINC000918262169 1068381471 /nfs/dbraw/zinc/38/14/71/1068381471.db2.gz JQPANUPOFBYGGB-XIEYBQDHSA-N 0 0 457.512 0.853 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)c1 ZINC000918262406 1068381173 /nfs/dbraw/zinc/38/11/73/1068381173.db2.gz OGBCDJPCBASLCD-BWAHOGKJSA-N 0 0 457.512 0.853 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)c1 ZINC000918262407 1068381310 /nfs/dbraw/zinc/38/13/10/1068381310.db2.gz OGBCDJPCBASLCD-XIEYBQDHSA-N 0 0 457.512 0.853 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 ZINC000918263455 1068381185 /nfs/dbraw/zinc/38/11/85/1068381185.db2.gz FAKOVJIWHMANIT-DIBXZPPDSA-N 0 0 469.527 0.933 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 ZINC000918263457 1068381294 /nfs/dbraw/zinc/38/12/94/1068381294.db2.gz FAKOVJIWHMANIT-ZXVVBBHZSA-N 0 0 469.527 0.933 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)cc1 ZINC000918263558 1068381528 /nfs/dbraw/zinc/38/15/28/1068381528.db2.gz FVWVYVSPCGPDQZ-BWAHOGKJSA-N 0 0 457.512 0.853 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)cc1 ZINC000918263559 1068382137 /nfs/dbraw/zinc/38/21/37/1068382137.db2.gz FVWVYVSPCGPDQZ-XIEYBQDHSA-N 0 0 457.512 0.853 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 ZINC000918263631 1068381898 /nfs/dbraw/zinc/38/18/98/1068381898.db2.gz IFLQDNHIUZYGJZ-DIBXZPPDSA-N 0 0 469.527 0.933 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 ZINC000918263732 1068381819 /nfs/dbraw/zinc/38/18/19/1068381819.db2.gz IFLQDNHIUZYGJZ-ZXVVBBHZSA-N 0 0 469.527 0.933 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc1 ZINC000918263734 1068381765 /nfs/dbraw/zinc/38/17/65/1068381765.db2.gz IHPNGQHIKRUNAT-UHFFFAOYSA-N 0 0 476.490 0.280 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1 ZINC000918263759 1068381956 /nfs/dbraw/zinc/38/19/56/1068381956.db2.gz JHTFIGHPWXRSKI-IBGZPJMESA-N 0 0 464.482 0.134 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1 ZINC000918263760 1068382028 /nfs/dbraw/zinc/38/20/28/1068382028.db2.gz JHTFIGHPWXRSKI-LJQANCHMSA-N 0 0 464.482 0.134 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)c1 ZINC000918263812 1068382061 /nfs/dbraw/zinc/38/20/61/1068382061.db2.gz MDDAJBZMBRCUPX-BWAHOGKJSA-N 0 0 457.512 0.853 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)c1 ZINC000918263813 1068381779 /nfs/dbraw/zinc/38/17/79/1068381779.db2.gz MDDAJBZMBRCUPX-XIEYBQDHSA-N 0 0 457.512 0.853 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)nc1 ZINC000918264088 1068382102 /nfs/dbraw/zinc/38/21/02/1068382102.db2.gz OWMFWEOILPIXPR-UHFFFAOYSA-N 0 0 483.504 0.920 20 30 JCEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000918265238 1068391803 /nfs/dbraw/zinc/39/18/03/1068391803.db2.gz HMRIEGVEJPVGEO-UHFFFAOYSA-N 0 0 456.470 0.989 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 ZINC000918265423 1068391954 /nfs/dbraw/zinc/39/19/54/1068391954.db2.gz IKZKBCMYHOTFTR-CJLVFECKSA-N 0 0 487.604 0.272 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 ZINC000918265424 1068391856 /nfs/dbraw/zinc/39/18/56/1068391856.db2.gz IKZKBCMYHOTFTR-JWGURIENSA-N 0 0 487.604 0.272 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918267168 1068391900 /nfs/dbraw/zinc/39/19/00/1068391900.db2.gz SOHAFQCPBDTATH-OQKWZONESA-N 0 0 487.604 0.226 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918267169 1068391929 /nfs/dbraw/zinc/39/19/29/1068391929.db2.gz SOHAFQCPBDTATH-XLNRJJMWSA-N 0 0 487.604 0.226 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 ZINC000918267436 1068391747 /nfs/dbraw/zinc/39/17/47/1068391747.db2.gz SLQOLBHYXSOOTP-CJLVFECKSA-N 0 0 487.604 0.272 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 ZINC000918267437 1068392083 /nfs/dbraw/zinc/39/20/83/1068392083.db2.gz SLQOLBHYXSOOTP-JWGURIENSA-N 0 0 487.604 0.272 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918267647 1068391967 /nfs/dbraw/zinc/39/19/67/1068391967.db2.gz XHUUIOMRIQWXKJ-OQKWZONESA-N 0 0 487.604 0.226 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918267648 1068392320 /nfs/dbraw/zinc/39/23/20/1068392320.db2.gz XHUUIOMRIQWXKJ-XLNRJJMWSA-N 0 0 487.604 0.226 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 ZINC000918268554 1068392563 /nfs/dbraw/zinc/39/25/63/1068392563.db2.gz FDTULMPGWIGPOM-IMRQLAEWSA-N 0 0 469.527 0.933 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 ZINC000918268555 1068392264 /nfs/dbraw/zinc/39/22/64/1068392264.db2.gz FDTULMPGWIGPOM-OVVQPSECSA-N 0 0 469.527 0.933 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000918269123 1068383568 /nfs/dbraw/zinc/38/35/68/1068383568.db2.gz KPFAZRRAUJJQCI-UHFFFAOYSA-N 0 0 476.490 0.280 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 ZINC000918269197 1068383550 /nfs/dbraw/zinc/38/35/50/1068383550.db2.gz MZXLHXLVMVLLGZ-IMRQLAEWSA-N 0 0 469.527 0.933 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 ZINC000918269198 1068383495 /nfs/dbraw/zinc/38/34/95/1068383495.db2.gz MZXLHXLVMVLLGZ-OVVQPSECSA-N 0 0 469.527 0.933 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cc1 ZINC000918269427 1068383778 /nfs/dbraw/zinc/38/37/78/1068383778.db2.gz JLWGADFMGOMBQK-BOLJVCIBSA-N 0 0 474.539 0.994 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cc1 ZINC000918269428 1068383585 /nfs/dbraw/zinc/38/35/85/1068383585.db2.gz JLWGADFMGOMBQK-MQPOEVEDSA-N 0 0 474.539 0.994 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cc1 ZINC000918269429 1068383653 /nfs/dbraw/zinc/38/36/53/1068383653.db2.gz JLWGADFMGOMBQK-OTMWDORNSA-N 0 0 474.539 0.994 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cc1 ZINC000918269430 1068383701 /nfs/dbraw/zinc/38/37/01/1068383701.db2.gz JLWGADFMGOMBQK-XWFHWFJUSA-N 0 0 474.539 0.994 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)cc1 ZINC000918270133 1068383475 /nfs/dbraw/zinc/38/34/75/1068383475.db2.gz ISFQIDITYOYZEM-LGUFXXKBSA-N 0 0 471.539 0.871 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)cc1 ZINC000918270134 1068383743 /nfs/dbraw/zinc/38/37/43/1068383743.db2.gz ISFQIDITYOYZEM-XHPQRKPJSA-N 0 0 471.539 0.871 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 ZINC000918270663 1068384359 /nfs/dbraw/zinc/38/43/59/1068384359.db2.gz XVHHBLRPRYEWBQ-UHFFFAOYSA-N 0 0 483.504 0.920 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000918270836 1068384399 /nfs/dbraw/zinc/38/43/99/1068384399.db2.gz XZZJKPMYTGMHKI-IBGZPJMESA-N 0 0 464.482 0.134 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000918270837 1068384338 /nfs/dbraw/zinc/38/43/38/1068384338.db2.gz XZZJKPMYTGMHKI-LJQANCHMSA-N 0 0 464.482 0.134 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)c1 ZINC000918271385 1068384832 /nfs/dbraw/zinc/38/48/32/1068384832.db2.gz XHUWQGGHJFBPHY-BOLJVCIBSA-N 0 0 474.539 0.994 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)c1 ZINC000918271387 1068384904 /nfs/dbraw/zinc/38/49/04/1068384904.db2.gz XHUWQGGHJFBPHY-MQPOEVEDSA-N 0 0 474.539 0.994 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)c1 ZINC000918271392 1068384813 /nfs/dbraw/zinc/38/48/13/1068384813.db2.gz XHUWQGGHJFBPHY-OTMWDORNSA-N 0 0 474.539 0.994 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)c1 ZINC000918271395 1068384924 /nfs/dbraw/zinc/38/49/24/1068384924.db2.gz XHUWQGGHJFBPHY-XWFHWFJUSA-N 0 0 474.539 0.994 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)cc1 ZINC000918271904 1068384869 /nfs/dbraw/zinc/38/48/69/1068384869.db2.gz RDUSONZOLPIFFO-KOEQRZSOSA-N 0 0 459.532 0.682 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)cc1 ZINC000918271906 1068384683 /nfs/dbraw/zinc/38/46/83/1068384683.db2.gz RDUSONZOLPIFFO-UQQQWYQISA-N 0 0 459.532 0.682 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)c1 ZINC000918272023 1068384758 /nfs/dbraw/zinc/38/47/58/1068384758.db2.gz XTCMNASYXWJGKZ-LGUFXXKBSA-N 0 0 471.539 0.871 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)c1 ZINC000918272024 1068384638 /nfs/dbraw/zinc/38/46/38/1068384638.db2.gz XTCMNASYXWJGKZ-XHPQRKPJSA-N 0 0 471.539 0.871 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)c1 ZINC000918272123 1068384622 /nfs/dbraw/zinc/38/46/22/1068384622.db2.gz UEZWRMPHKDRNJX-KOEQRZSOSA-N 0 0 459.532 0.682 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)c1 ZINC000918272124 1068385165 /nfs/dbraw/zinc/38/51/65/1068385165.db2.gz UEZWRMPHKDRNJX-UQQQWYQISA-N 0 0 459.532 0.682 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1 ZINC000918272553 1068385418 /nfs/dbraw/zinc/38/54/18/1068385418.db2.gz LSCXVNWFGXFRQG-CFRMEGHHSA-N 0 0 463.438 0.233 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1 ZINC000918272554 1068385433 /nfs/dbraw/zinc/38/54/33/1068385433.db2.gz LSCXVNWFGXFRQG-ZMOGYAJESA-N 0 0 463.438 0.233 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000918272993 1068385764 /nfs/dbraw/zinc/38/57/64/1068385764.db2.gz XPJVFPPKDBAPTE-CFRMEGHHSA-N 0 0 463.438 0.233 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000918272994 1068385940 /nfs/dbraw/zinc/38/59/40/1068385940.db2.gz XPJVFPPKDBAPTE-ZMOGYAJESA-N 0 0 463.438 0.233 20 30 JCEDRN COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918273038 1068385797 /nfs/dbraw/zinc/38/57/97/1068385797.db2.gz ADNCGMWECCJLGK-HKOYGPOVSA-N 0 0 479.559 0.192 20 30 JCEDRN COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918273039 1068385831 /nfs/dbraw/zinc/38/58/31/1068385831.db2.gz ADNCGMWECCJLGK-MOHJPFBDSA-N 0 0 479.559 0.192 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000918273819 1068386440 /nfs/dbraw/zinc/38/64/40/1068386440.db2.gz FTTDXDRDVNMBDN-UHFFFAOYSA-N 0 0 490.563 0.742 20 30 JCEDRN C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1 ZINC000918274592 1068386166 /nfs/dbraw/zinc/38/61/66/1068386166.db2.gz LIVUBQBTBYBHKU-UHFFFAOYSA-N 0 0 489.575 0.851 20 30 JCEDRN COCC(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918274614 1068386370 /nfs/dbraw/zinc/38/63/70/1068386370.db2.gz UJFPCEVRTCXXNO-HKOYGPOVSA-N 0 0 479.559 0.192 20 30 JCEDRN COCC(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918274615 1068386294 /nfs/dbraw/zinc/38/62/94/1068386294.db2.gz UJFPCEVRTCXXNO-MOHJPFBDSA-N 0 0 479.559 0.192 20 30 JCEDRN CC(=O)NCC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918274816 1068386407 /nfs/dbraw/zinc/38/64/07/1068386407.db2.gz XPVMBWJRGLCDOZ-CLCOLTQESA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NCC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918274817 1068386324 /nfs/dbraw/zinc/38/63/24/1068386324.db2.gz XPVMBWJRGLCDOZ-LYBHJNIJSA-N 0 0 463.560 0.813 20 30 JCEDRN CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918274841 1068387013 /nfs/dbraw/zinc/38/70/13/1068387013.db2.gz YWNOZOCMAUICFR-CLCOLTQESA-N 0 0 463.560 0.813 20 30 JCEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000918274962 1068386872 /nfs/dbraw/zinc/38/68/72/1068386872.db2.gz MTTVNHKRGXQABO-UHFFFAOYSA-N 0 0 490.563 0.742 20 30 JCEDRN CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918274998 1068386791 /nfs/dbraw/zinc/38/67/91/1068386791.db2.gz YWNOZOCMAUICFR-LYBHJNIJSA-N 0 0 463.560 0.813 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000918277456 1068387347 /nfs/dbraw/zinc/38/73/47/1068387347.db2.gz FLACDAHKYJKMCL-AKKXKAEUSA-N 0 0 470.573 0.521 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000918277600 1068387395 /nfs/dbraw/zinc/38/73/95/1068387395.db2.gz FLACDAHKYJKMCL-GBPUDXIESA-N 0 0 470.573 0.521 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000918277601 1068387479 /nfs/dbraw/zinc/38/74/79/1068387479.db2.gz FLACDAHKYJKMCL-HDHZYAPQSA-N 0 0 470.573 0.521 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000918277602 1068387490 /nfs/dbraw/zinc/38/74/90/1068387490.db2.gz FLACDAHKYJKMCL-XQEBGNCTSA-N 0 0 470.573 0.521 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000918278158 1068387410 /nfs/dbraw/zinc/38/74/10/1068387410.db2.gz QSUMVMHVMOGERH-CLCOLTQESA-N 0 0 465.576 0.667 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000918278159 1068387506 /nfs/dbraw/zinc/38/75/06/1068387506.db2.gz QSUMVMHVMOGERH-LYBHJNIJSA-N 0 0 465.576 0.667 20 30 JCEDRN CCCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918278548 1068387332 /nfs/dbraw/zinc/38/73/32/1068387332.db2.gz BCKADSOPONOVEW-JJIBRWJFSA-N 0 0 451.549 0.861 20 30 JCEDRN CCCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918278549 1068387264 /nfs/dbraw/zinc/38/72/64/1068387264.db2.gz BCKADSOPONOVEW-ULJHMMPZSA-N 0 0 451.549 0.861 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1 ZINC000918278827 1068387537 /nfs/dbraw/zinc/38/75/37/1068387537.db2.gz GCURBHZDFFHTOS-BWAHOGKJSA-N 0 0 463.560 0.861 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1 ZINC000918278829 1068387229 /nfs/dbraw/zinc/38/72/29/1068387229.db2.gz GCURBHZDFFHTOS-XIEYBQDHSA-N 0 0 463.560 0.861 20 30 JCEDRN CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918278913 1068387466 /nfs/dbraw/zinc/38/74/66/1068387466.db2.gz ITICBDPPGYTXDV-JJIBRWJFSA-N 0 0 451.549 0.859 20 30 JCEDRN CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918278914 1068387285 /nfs/dbraw/zinc/38/72/85/1068387285.db2.gz ITICBDPPGYTXDV-ULJHMMPZSA-N 0 0 451.549 0.859 20 30 JCEDRN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918278945 1068387376 /nfs/dbraw/zinc/38/73/76/1068387376.db2.gz JTNYTKLXOZIDMX-BJJKHMRRSA-N 0 0 451.549 0.859 20 30 JCEDRN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918278947 1068387361 /nfs/dbraw/zinc/38/73/61/1068387361.db2.gz JTNYTKLXOZIDMX-OZWUBDKWSA-N 0 0 451.549 0.859 20 30 JCEDRN CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918278949 1068387521 /nfs/dbraw/zinc/38/75/21/1068387521.db2.gz JTNYTKLXOZIDMX-QVINMUBDSA-N 0 0 451.549 0.859 20 30 JCEDRN CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918278951 1068387210 /nfs/dbraw/zinc/38/72/10/1068387210.db2.gz JTNYTKLXOZIDMX-SKSQCXPCSA-N 0 0 451.549 0.859 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000918279124 1068388124 /nfs/dbraw/zinc/38/81/24/1068388124.db2.gz NTENPZXQPAAREU-ACNSNUFOSA-N 0 0 484.600 0.769 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000918279125 1068387769 /nfs/dbraw/zinc/38/77/69/1068387769.db2.gz NTENPZXQPAAREU-CVIUTVQRSA-N 0 0 484.600 0.769 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000918279126 1068388092 /nfs/dbraw/zinc/38/80/92/1068388092.db2.gz NTENPZXQPAAREU-SAZKUCFMSA-N 0 0 484.600 0.769 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000918279128 1068387949 /nfs/dbraw/zinc/38/79/49/1068387949.db2.gz NTENPZXQPAAREU-VKWHMPGMSA-N 0 0 484.600 0.769 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1 ZINC000918279285 1068388109 /nfs/dbraw/zinc/38/81/09/1068388109.db2.gz RLKZMGNRDNXWHX-NCELDCMTSA-N 0 0 493.586 0.583 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1 ZINC000918279286 1068387841 /nfs/dbraw/zinc/38/78/41/1068387841.db2.gz RLKZMGNRDNXWHX-PLRJNAJWSA-N 0 0 493.586 0.583 20 30 JCEDRN CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918279750 1068387961 /nfs/dbraw/zinc/38/79/61/1068387961.db2.gz GMXVBWDRAKYTEK-HAVVHWLPSA-N 0 0 451.549 0.813 20 30 JCEDRN CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918279751 1068387994 /nfs/dbraw/zinc/38/79/94/1068387994.db2.gz GMXVBWDRAKYTEK-QJOMJCCJSA-N 0 0 451.549 0.813 20 30 JCEDRN COCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918279808 1068388041 /nfs/dbraw/zinc/38/80/41/1068388041.db2.gz JCWUOIBLXGBJIJ-NKFKGCMQSA-N 0 0 454.549 0.997 20 30 JCEDRN COCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918279809 1068387787 /nfs/dbraw/zinc/38/77/87/1068387787.db2.gz JCWUOIBLXGBJIJ-PTGBLXJZSA-N 0 0 454.549 0.997 20 30 JCEDRN CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918279855 1068388055 /nfs/dbraw/zinc/38/80/55/1068388055.db2.gz LOJBTUDIIFIRSC-HAVVHWLPSA-N 0 0 487.604 0.274 20 30 JCEDRN CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918279856 1068387980 /nfs/dbraw/zinc/38/79/80/1068387980.db2.gz LOJBTUDIIFIRSC-QJOMJCCJSA-N 0 0 487.604 0.274 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c1 ZINC000918279888 1068388482 /nfs/dbraw/zinc/38/84/82/1068388482.db2.gz NUUGIADOFOCIPX-HAVVHWLPSA-N 0 0 487.604 0.274 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c1 ZINC000918279889 1068388512 /nfs/dbraw/zinc/38/85/12/1068388512.db2.gz NUUGIADOFOCIPX-QJOMJCCJSA-N 0 0 487.604 0.274 20 30 JCEDRN CC(=O)NCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918280529 1068388295 /nfs/dbraw/zinc/38/82/95/1068388295.db2.gz YUUXKTGJXZHUSX-HKOYGPOVSA-N 0 0 451.549 0.861 20 30 JCEDRN CC(=O)NCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918280530 1068388456 /nfs/dbraw/zinc/38/84/56/1068388456.db2.gz YUUXKTGJXZHUSX-MOHJPFBDSA-N 0 0 451.549 0.861 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)c1 ZINC000918280732 1068388438 /nfs/dbraw/zinc/38/84/38/1068388438.db2.gz KEJAEFYFCPZCME-JLPGSUDCSA-N 0 0 451.549 0.846 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)c1 ZINC000918280733 1068388391 /nfs/dbraw/zinc/38/83/91/1068388391.db2.gz KEJAEFYFCPZCME-LFVJCYFKSA-N 0 0 451.549 0.846 20 30 JCEDRN CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000918285153 1068389983 /nfs/dbraw/zinc/38/99/83/1068389983.db2.gz AWFZPCSAPZPFSD-KDCJFMNISA-N 0 0 484.600 0.864 20 30 JCEDRN CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000918285154 1068390127 /nfs/dbraw/zinc/39/01/27/1068390127.db2.gz AWFZPCSAPZPFSD-NLFAIWHDSA-N 0 0 484.600 0.864 20 30 JCEDRN CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000918285155 1068389869 /nfs/dbraw/zinc/38/98/69/1068389869.db2.gz AWFZPCSAPZPFSD-USCXLKSCSA-N 0 0 484.600 0.864 20 30 JCEDRN CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000918285156 1068389888 /nfs/dbraw/zinc/38/98/88/1068389888.db2.gz AWFZPCSAPZPFSD-XEFZIOHMSA-N 0 0 484.600 0.864 20 30 JCEDRN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 ZINC000918285310 1068390181 /nfs/dbraw/zinc/39/01/81/1068390181.db2.gz GEBMODVKQBZLQI-FCDQGJHFSA-N 0 0 463.560 0.909 20 30 JCEDRN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 ZINC000918285311 1068390214 /nfs/dbraw/zinc/39/02/14/1068390214.db2.gz GEBMODVKQBZLQI-NMWGTECJSA-N 0 0 463.560 0.909 20 30 JCEDRN CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000918285590 1068390163 /nfs/dbraw/zinc/39/01/63/1068390163.db2.gz PIKREJZOBBMVFI-HUSAPJIJSA-N 0 0 456.546 0.083 20 30 JCEDRN CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000918285591 1068389907 /nfs/dbraw/zinc/38/99/07/1068389907.db2.gz PIKREJZOBBMVFI-IXPAQYDLSA-N 0 0 456.546 0.083 20 30 JCEDRN CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000918285592 1068390105 /nfs/dbraw/zinc/39/01/05/1068390105.db2.gz PIKREJZOBBMVFI-XSOQZJFOSA-N 0 0 456.546 0.083 20 30 JCEDRN CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000918285593 1068389929 /nfs/dbraw/zinc/38/99/29/1068389929.db2.gz PIKREJZOBBMVFI-ZDHNHOGNSA-N 0 0 456.546 0.083 20 30 JCEDRN CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000918285611 1068389943 /nfs/dbraw/zinc/38/99/43/1068389943.db2.gz PZIGHEFRLUJIQL-HUSAPJIJSA-N 0 0 456.546 0.083 20 30 JCEDRN CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000918285612 1068390001 /nfs/dbraw/zinc/39/00/01/1068390001.db2.gz PZIGHEFRLUJIQL-IXPAQYDLSA-N 0 0 456.546 0.083 20 30 JCEDRN CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000918285613 1068390443 /nfs/dbraw/zinc/39/04/43/1068390443.db2.gz PZIGHEFRLUJIQL-XSOQZJFOSA-N 0 0 456.546 0.083 20 30 JCEDRN CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000918285614 1068390640 /nfs/dbraw/zinc/39/06/40/1068390640.db2.gz PZIGHEFRLUJIQL-ZDHNHOGNSA-N 0 0 456.546 0.083 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918288174 1068391170 /nfs/dbraw/zinc/39/11/70/1068391170.db2.gz HBYFMSDRNRRHGU-OQKWZONESA-N 0 0 465.532 0.739 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918288176 1068390890 /nfs/dbraw/zinc/39/08/90/1068390890.db2.gz HBYFMSDRNRRHGU-XLNRJJMWSA-N 0 0 465.532 0.739 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918288223 1068390994 /nfs/dbraw/zinc/39/09/94/1068390994.db2.gz IELOPMANUDTVDT-OQKWZONESA-N 0 0 465.532 0.739 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918288224 1068391066 /nfs/dbraw/zinc/39/10/66/1068391066.db2.gz IELOPMANUDTVDT-XLNRJJMWSA-N 0 0 465.532 0.739 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000918288499 1068391031 /nfs/dbraw/zinc/39/10/31/1068391031.db2.gz ANZWSGOMKKOHME-BWAHOGKJSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000918288511 1068391149 /nfs/dbraw/zinc/39/11/49/1068391149.db2.gz ANZWSGOMKKOHME-XIEYBQDHSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000918289015 1068390977 /nfs/dbraw/zinc/39/09/77/1068390977.db2.gz IWBFBEDZBXWVHZ-HKOYGPOVSA-N 0 0 463.560 0.942 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000918289016 1068390916 /nfs/dbraw/zinc/39/09/16/1068390916.db2.gz IWBFBEDZBXWVHZ-MOHJPFBDSA-N 0 0 463.560 0.942 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000918290187 1068391467 /nfs/dbraw/zinc/39/14/67/1068391467.db2.gz RLKZDAGQLFCKGM-BWAHOGKJSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000918290188 1068391457 /nfs/dbraw/zinc/39/14/57/1068391457.db2.gz RLKZDAGQLFCKGM-XIEYBQDHSA-N 0 0 471.543 0.577 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000918292127 1068399247 /nfs/dbraw/zinc/39/92/47/1068399247.db2.gz AVHVXDSCNSGNQF-UHFFFAOYSA-N 0 0 473.467 0.969 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000918293025 1068400559 /nfs/dbraw/zinc/40/05/59/1068400559.db2.gz UWQSMWMACJHCMW-UHFFFAOYSA-N 0 0 473.467 0.969 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000918293150 1068400508 /nfs/dbraw/zinc/40/05/08/1068400508.db2.gz VYGXSJMAQHAEHZ-UHFFFAOYSA-N 0 0 473.467 0.969 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000918296593 1068401442 /nfs/dbraw/zinc/40/14/42/1068401442.db2.gz CNBJZQDKNWICKT-LNUHTHKGSA-N 0 0 491.570 0.288 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000918296594 1068401375 /nfs/dbraw/zinc/40/13/75/1068401375.db2.gz CNBJZQDKNWICKT-LTXLMFNASA-N 0 0 491.570 0.288 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000918296595 1068401482 /nfs/dbraw/zinc/40/14/82/1068401482.db2.gz CNBJZQDKNWICKT-SMKFHGBISA-N 0 0 491.570 0.288 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000918296596 1068401497 /nfs/dbraw/zinc/40/14/97/1068401497.db2.gz CNBJZQDKNWICKT-VUSLFOADSA-N 0 0 491.570 0.288 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000918297135 1068401860 /nfs/dbraw/zinc/40/18/60/1068401860.db2.gz FCWNTNBZZFDHNH-LNUHTHKGSA-N 0 0 491.570 0.288 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000918297136 1068401888 /nfs/dbraw/zinc/40/18/88/1068401888.db2.gz FCWNTNBZZFDHNH-LTXLMFNASA-N 0 0 491.570 0.288 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000918297137 1068401848 /nfs/dbraw/zinc/40/18/48/1068401848.db2.gz FCWNTNBZZFDHNH-SMKFHGBISA-N 0 0 491.570 0.288 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000918297138 1068401898 /nfs/dbraw/zinc/40/18/98/1068401898.db2.gz FCWNTNBZZFDHNH-VUSLFOADSA-N 0 0 491.570 0.288 20 30 JCEDRN CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918299696 1068402635 /nfs/dbraw/zinc/40/26/35/1068402635.db2.gz JEDDOABJRVQJPG-NKFKGCMQSA-N 0 0 463.560 0.765 20 30 JCEDRN CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918299697 1068402630 /nfs/dbraw/zinc/40/26/30/1068402630.db2.gz JEDDOABJRVQJPG-PTGBLXJZSA-N 0 0 463.560 0.765 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000918299905 1068402506 /nfs/dbraw/zinc/40/25/06/1068402506.db2.gz OKVMYLJXTKVNBO-NKFKGCMQSA-N 0 0 461.544 0.519 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000918299906 1068402616 /nfs/dbraw/zinc/40/26/16/1068402616.db2.gz OKVMYLJXTKVNBO-PTGBLXJZSA-N 0 0 461.544 0.519 20 30 JCEDRN CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918300089 1068402647 /nfs/dbraw/zinc/40/26/47/1068402647.db2.gz WUEMQTMGGMFOFC-NKFKGCMQSA-N 0 0 463.560 0.765 20 30 JCEDRN CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918300090 1068402578 /nfs/dbraw/zinc/40/25/78/1068402578.db2.gz WUEMQTMGGMFOFC-PTGBLXJZSA-N 0 0 463.560 0.765 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000918300136 1068403371 /nfs/dbraw/zinc/40/33/71/1068403371.db2.gz ZLGOVIDWELDQHH-NKFKGCMQSA-N 0 0 461.544 0.519 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000918300137 1068403355 /nfs/dbraw/zinc/40/33/55/1068403355.db2.gz ZLGOVIDWELDQHH-PTGBLXJZSA-N 0 0 461.544 0.519 20 30 JCEDRN CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918301062 1068392372 /nfs/dbraw/zinc/39/23/72/1068392372.db2.gz HHHDMOSXHQWXRI-NKFKGCMQSA-N 0 0 463.560 0.765 20 30 JCEDRN CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918301068 1068392495 /nfs/dbraw/zinc/39/24/95/1068392495.db2.gz HHHDMOSXHQWXRI-PTGBLXJZSA-N 0 0 463.560 0.765 20 30 JCEDRN CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918301153 1068392356 /nfs/dbraw/zinc/39/23/56/1068392356.db2.gz ITDWCJOGNUJUQZ-NKFKGCMQSA-N 0 0 463.560 0.765 20 30 JCEDRN CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918301154 1068392423 /nfs/dbraw/zinc/39/24/23/1068392423.db2.gz ITDWCJOGNUJUQZ-PTGBLXJZSA-N 0 0 463.560 0.765 20 30 JCEDRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918303729 1068392795 /nfs/dbraw/zinc/39/27/95/1068392795.db2.gz QRXSTTJUXYNEDH-NCELDCMTSA-N 0 0 492.602 0.107 20 30 JCEDRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918303735 1068393443 /nfs/dbraw/zinc/39/34/43/1068393443.db2.gz QRXSTTJUXYNEDH-PLRJNAJWSA-N 0 0 492.602 0.107 20 30 JCEDRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918304281 1068393512 /nfs/dbraw/zinc/39/35/12/1068393512.db2.gz WHTNBOQGNNZUSW-NCELDCMTSA-N 0 0 492.602 0.107 20 30 JCEDRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918304283 1068393366 /nfs/dbraw/zinc/39/33/66/1068393366.db2.gz WHTNBOQGNNZUSW-PLRJNAJWSA-N 0 0 492.602 0.107 20 30 JCEDRN CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918307156 1068394496 /nfs/dbraw/zinc/39/44/96/1068394496.db2.gz ORITVZALXRJQJC-KQWNVCNZSA-N 0 0 451.549 0.811 20 30 JCEDRN CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918307157 1068394581 /nfs/dbraw/zinc/39/45/81/1068394581.db2.gz ORITVZALXRJQJC-XQNSMLJCSA-N 0 0 451.549 0.811 20 30 JCEDRN CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918307373 1068394321 /nfs/dbraw/zinc/39/43/21/1068394321.db2.gz VACHDZFPWSIYHI-KQWNVCNZSA-N 0 0 451.549 0.811 20 30 JCEDRN CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918307374 1068394481 /nfs/dbraw/zinc/39/44/81/1068394481.db2.gz VACHDZFPWSIYHI-XQNSMLJCSA-N 0 0 451.549 0.811 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)CC2)cc1 ZINC000918308786 1068394781 /nfs/dbraw/zinc/39/47/81/1068394781.db2.gz AJTLFZORHLSTSO-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000918308980 1068394764 /nfs/dbraw/zinc/39/47/64/1068394764.db2.gz BATLMGCAOCICKL-UHFFFAOYSA-N 0 0 453.480 0.932 20 30 JCEDRN COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000918309214 1068394734 /nfs/dbraw/zinc/39/47/34/1068394734.db2.gz FBXPLSMBLHWNIF-UHFFFAOYSA-N 0 0 485.522 0.615 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)cc1 ZINC000918309860 1068395365 /nfs/dbraw/zinc/39/53/65/1068395365.db2.gz INAFFMWYSUCPHM-UHFFFAOYSA-N 0 0 466.483 0.006 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(CN4CCOC4=O)c3)CC2)cc1 ZINC000918309902 1068395192 /nfs/dbraw/zinc/39/51/92/1068395192.db2.gz KJHWEZYJBYREFK-UHFFFAOYSA-N 0 0 497.533 0.982 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(N4CCOC4=O)c3)CC2)cc1 ZINC000918310646 1068395521 /nfs/dbraw/zinc/39/55/21/1068395521.db2.gz NHEHOJQJKAORAW-UHFFFAOYSA-N 0 0 483.506 0.986 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000918310807 1068395988 /nfs/dbraw/zinc/39/59/88/1068395988.db2.gz PYTMZUFJNJRJEY-UHFFFAOYSA-N 0 0 483.550 0.866 20 30 JCEDRN CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000918311490 1068395953 /nfs/dbraw/zinc/39/59/53/1068395953.db2.gz SYKZFXTYCOETEW-UHFFFAOYSA-N 0 0 469.523 0.732 20 30 JCEDRN Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000918311605 1068395847 /nfs/dbraw/zinc/39/58/47/1068395847.db2.gz VWPPPYJMZDAHLJ-UHFFFAOYSA-N 0 0 479.522 0.919 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(N4CCOC4=O)cc3)CC2)cc1 ZINC000918311683 1068395936 /nfs/dbraw/zinc/39/59/36/1068395936.db2.gz XSEOGVQUCGPTNY-UHFFFAOYSA-N 0 0 483.506 0.986 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)c1 ZINC000918312881 1068396500 /nfs/dbraw/zinc/39/65/00/1068396500.db2.gz UGGFWKWXKAWAHK-UHFFFAOYSA-N 0 0 492.535 0.909 20 30 JCEDRN C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)c1 ZINC000918312885 1068396385 /nfs/dbraw/zinc/39/63/85/1068396385.db2.gz UMIPROQCKVOXCZ-UHFFFAOYSA-N 0 0 461.521 0.988 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)cc3)CC2)cc1 ZINC000918313099 1068396456 /nfs/dbraw/zinc/39/64/56/1068396456.db2.gz QBBVHIFVVJTBLK-UHFFFAOYSA-N 0 0 465.495 0.611 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000918314353 1068397392 /nfs/dbraw/zinc/39/73/92/1068397392.db2.gz VUURANXRKLVEBX-UHFFFAOYSA-N 0 0 452.496 0.941 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000918314435 1068397750 /nfs/dbraw/zinc/39/77/50/1068397750.db2.gz YIXOIBJYMGTVNU-PYCFMQQDSA-N 0 0 499.615 0.322 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000918314437 1068397964 /nfs/dbraw/zinc/39/79/64/1068397964.db2.gz YIXOIBJYMGTVNU-RELWKKBWSA-N 0 0 499.615 0.322 20 30 JCEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000918315122 1068398206 /nfs/dbraw/zinc/39/82/06/1068398206.db2.gz IMDFPSWHSBBMDJ-JOCHJYFZSA-N 0 0 489.532 0.810 20 30 JCEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000918315129 1068398232 /nfs/dbraw/zinc/39/82/32/1068398232.db2.gz IMDFPSWHSBBMDJ-QFIPXVFZSA-N 0 0 489.532 0.810 20 30 JCEDRN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000918318745 1068414945 /nfs/dbraw/zinc/41/49/45/1068414945.db2.gz AFEVSLKCOGNDJB-UHFFFAOYSA-N 0 0 458.500 0.422 20 30 JCEDRN COc1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(C(=O)N(C)C)cc1OC ZINC000918319337 1068415628 /nfs/dbraw/zinc/41/56/28/1068415628.db2.gz LHABBXRSMUGZEB-UHFFFAOYSA-N 0 0 466.498 0.960 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000918319537 1068415759 /nfs/dbraw/zinc/41/57/59/1068415759.db2.gz PQXGNFSDDXJRCM-UHFFFAOYSA-N 0 0 468.539 0.441 20 30 JCEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC000918319767 1068416328 /nfs/dbraw/zinc/41/63/28/1068416328.db2.gz XLKNHPCINSGAHW-UHFFFAOYSA-N 0 0 467.917 0.830 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 ZINC000918328839 1068403323 /nfs/dbraw/zinc/40/33/23/1068403323.db2.gz FOVZOPLRJKEMNQ-FQEVSTJZSA-N 0 0 491.591 0.847 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 ZINC000918328841 1068403257 /nfs/dbraw/zinc/40/32/57/1068403257.db2.gz FOVZOPLRJKEMNQ-HXUWFJFHSA-N 0 0 491.591 0.847 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000918328877 1068403362 /nfs/dbraw/zinc/40/33/62/1068403362.db2.gz GGCIVFKTIQSYFF-UHFFFAOYSA-N 0 0 456.524 0.745 20 30 JCEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000918329897 1068403340 /nfs/dbraw/zinc/40/33/40/1068403340.db2.gz JFSYRCIEMVHCPR-UHFFFAOYSA-N 0 0 454.508 0.499 20 30 JCEDRN COc1ccnc(N2CCN(C(=O)[C@@H](/N=C3/NS(=O)(=O)c4ccccc43)C(C)C)CC2)n1 ZINC000918334649 1068405525 /nfs/dbraw/zinc/40/55/25/1068405525.db2.gz ZGCCIUPULUBYPW-SFHVURJKSA-N 0 0 458.544 0.897 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918339706 1068408306 /nfs/dbraw/zinc/40/83/06/1068408306.db2.gz GDXFWUOJKKNOLL-UHFFFAOYSA-N 0 0 476.580 0.666 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)c1 ZINC000918342171 1068419155 /nfs/dbraw/zinc/41/91/55/1068419155.db2.gz CNNZPXMCPQJMMS-IBGZPJMESA-N 0 0 471.535 0.965 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)c1 ZINC000918342173 1068419289 /nfs/dbraw/zinc/41/92/89/1068419289.db2.gz CNNZPXMCPQJMMS-LJQANCHMSA-N 0 0 471.535 0.965 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 ZINC000918342404 1068419110 /nfs/dbraw/zinc/41/91/10/1068419110.db2.gz JBTAYFXXTRYNEZ-IBGZPJMESA-N 0 0 477.564 0.504 20 30 JCEDRN C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 ZINC000918342405 1068419294 /nfs/dbraw/zinc/41/92/94/1068419294.db2.gz JBTAYFXXTRYNEZ-LJQANCHMSA-N 0 0 477.564 0.504 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000918360906 1068424238 /nfs/dbraw/zinc/42/42/38/1068424238.db2.gz QHEHRBKUFKQRIP-UHFFFAOYSA-N 0 0 456.524 0.741 20 30 JCEDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)C1 ZINC000918373826 1068424882 /nfs/dbraw/zinc/42/48/82/1068424882.db2.gz FMYAFTFMMQRVFZ-INIZCTEOSA-N 0 0 455.540 0.743 20 30 JCEDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)C1 ZINC000918373827 1068425105 /nfs/dbraw/zinc/42/51/05/1068425105.db2.gz FMYAFTFMMQRVFZ-MRXNPFEDSA-N 0 0 455.540 0.743 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(OC)c1 ZINC000918380963 1068425545 /nfs/dbraw/zinc/42/55/45/1068425545.db2.gz CPPHGCVYESAVKX-UHFFFAOYSA-N 0 0 472.523 0.727 20 30 JCEDRN CN1CCN(C(=O)Cc2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000918381545 1068425663 /nfs/dbraw/zinc/42/56/63/1068425663.db2.gz OMLTVXYPVOMTIG-UHFFFAOYSA-N 0 0 455.540 0.680 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918382633 1068426406 /nfs/dbraw/zinc/42/64/06/1068426406.db2.gz BAGWHPZSHQKHHJ-UHFFFAOYSA-N 0 0 493.586 0.701 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000918383047 1068427066 /nfs/dbraw/zinc/42/70/66/1068427066.db2.gz GCOHIIWZOPOFBO-UHFFFAOYSA-N 0 0 464.544 0.407 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000918383448 1068427207 /nfs/dbraw/zinc/42/72/07/1068427207.db2.gz JBWJSJBFTSYYAL-UHFFFAOYSA-N 0 0 466.560 0.960 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000918383526 1068427192 /nfs/dbraw/zinc/42/71/92/1068427192.db2.gz JSUCAZUHURGILJ-UHFFFAOYSA-N 0 0 464.544 0.407 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000918383825 1068427799 /nfs/dbraw/zinc/42/77/99/1068427799.db2.gz ONAHGLBUJSHBDH-UHFFFAOYSA-N 0 0 479.559 0.688 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918383897 1068427734 /nfs/dbraw/zinc/42/77/34/1068427734.db2.gz PSCWVXIYXSKWBJ-UHFFFAOYSA-N 0 0 479.559 0.311 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000918383911 1068427699 /nfs/dbraw/zinc/42/76/99/1068427699.db2.gz QIHAHSRTSCSTCX-UHFFFAOYSA-N 0 0 466.560 0.960 20 30 JCEDRN COCCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2S1(=O)=O ZINC000918389429 1068429964 /nfs/dbraw/zinc/42/99/64/1068429964.db2.gz NNVJFQTUHOSHFD-UHFFFAOYSA-N 0 0 455.496 0.707 20 30 JCEDRN O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000918393280 1068428543 /nfs/dbraw/zinc/42/85/43/1068428543.db2.gz BTGUSYMVBFHCQE-UHFFFAOYSA-N 0 0 488.551 0.135 20 30 JCEDRN COCCCNC(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918393471 1068428474 /nfs/dbraw/zinc/42/84/74/1068428474.db2.gz GDAYTLKREQLMCE-UHFFFAOYSA-N 0 0 450.561 0.897 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000918394376 1068428503 /nfs/dbraw/zinc/42/85/03/1068428503.db2.gz RGYYACNANUIXNU-UHFFFAOYSA-N 0 0 487.563 0.621 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000918400389 1068429065 /nfs/dbraw/zinc/42/90/65/1068429065.db2.gz CJRSUZVIPBRRCI-BWAHOGKJSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000918400390 1068429042 /nfs/dbraw/zinc/42/90/42/1068429042.db2.gz CJRSUZVIPBRRCI-XIEYBQDHSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000918400583 1068441099 /nfs/dbraw/zinc/44/10/99/1068441099.db2.gz GFONECDYJMPZHO-BWAHOGKJSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000918400586 1068441008 /nfs/dbraw/zinc/44/10/08/1068441008.db2.gz GFONECDYJMPZHO-XIEYBQDHSA-N 0 0 471.543 0.577 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000918400891 1068429812 /nfs/dbraw/zinc/42/98/12/1068429812.db2.gz ORIYERLEKAPXBS-CLCOLTQESA-N 0 0 490.586 0.798 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000918400892 1068429865 /nfs/dbraw/zinc/42/98/65/1068429865.db2.gz ORIYERLEKAPXBS-LYBHJNIJSA-N 0 0 490.586 0.798 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000918400953 1068429879 /nfs/dbraw/zinc/42/98/79/1068429879.db2.gz RALGKHOPBQSJDN-CLCOLTQESA-N 0 0 490.586 0.798 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000918400954 1068429801 /nfs/dbraw/zinc/42/98/01/1068429801.db2.gz RALGKHOPBQSJDN-LYBHJNIJSA-N 0 0 490.586 0.798 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000918406049 1068433891 /nfs/dbraw/zinc/43/38/91/1068433891.db2.gz DBHHYPOXCHVNHO-UHFFFAOYSA-N 0 0 468.539 0.441 20 30 JCEDRN COc1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C(=O)N(C)C)cc1OC ZINC000918406220 1068433994 /nfs/dbraw/zinc/43/39/94/1068433994.db2.gz JHFNHLXGXHEVTL-UHFFFAOYSA-N 0 0 466.498 0.960 20 30 JCEDRN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000918406256 1068433981 /nfs/dbraw/zinc/43/39/81/1068433981.db2.gz MLUKIMMTWYJJHD-UHFFFAOYSA-N 0 0 458.500 0.422 20 30 JCEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)c1 ZINC000918406751 1068434758 /nfs/dbraw/zinc/43/47/58/1068434758.db2.gz ZOORZGACGFXKSC-UHFFFAOYSA-N 0 0 467.917 0.830 20 30 JCEDRN COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918406782 1068434777 /nfs/dbraw/zinc/43/47/77/1068434777.db2.gz KNUWTVGMWHCXNR-NCELDCMTSA-N 0 0 493.586 0.439 20 30 JCEDRN COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918406783 1068434681 /nfs/dbraw/zinc/43/46/81/1068434681.db2.gz KNUWTVGMWHCXNR-PLRJNAJWSA-N 0 0 493.586 0.439 20 30 JCEDRN COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918407385 1068434656 /nfs/dbraw/zinc/43/46/56/1068434656.db2.gz ZHALTFOTMKPNIG-NCELDCMTSA-N 0 0 493.586 0.439 20 30 JCEDRN COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918407388 1068434812 /nfs/dbraw/zinc/43/48/12/1068434812.db2.gz ZHALTFOTMKPNIG-PLRJNAJWSA-N 0 0 493.586 0.439 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000918408360 1068434833 /nfs/dbraw/zinc/43/48/33/1068434833.db2.gz GMXIBWOCBPGKIJ-OQKWZONESA-N 0 0 450.517 0.803 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000918408361 1068435415 /nfs/dbraw/zinc/43/54/15/1068435415.db2.gz GMXIBWOCBPGKIJ-XLNRJJMWSA-N 0 0 450.517 0.803 20 30 JCEDRN COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 ZINC000918408929 1068435504 /nfs/dbraw/zinc/43/55/04/1068435504.db2.gz BSVNSXFOLZNHIP-CLCOLTQESA-N 0 0 493.586 0.535 20 30 JCEDRN COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 ZINC000918408932 1068435321 /nfs/dbraw/zinc/43/53/21/1068435321.db2.gz BSVNSXFOLZNHIP-LYBHJNIJSA-N 0 0 493.586 0.535 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)c1 ZINC000918409063 1068435466 /nfs/dbraw/zinc/43/54/66/1068435466.db2.gz WDGDWKYGXJLLSV-OQKWZONESA-N 0 0 450.517 0.803 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)c1 ZINC000918409064 1068436106 /nfs/dbraw/zinc/43/61/06/1068436106.db2.gz WDGDWKYGXJLLSV-XLNRJJMWSA-N 0 0 450.517 0.803 20 30 JCEDRN CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918419207 1068447996 /nfs/dbraw/zinc/44/79/96/1068447996.db2.gz BZRXPIXOTGKIFO-OQKWZONESA-N 0 0 464.548 0.264 20 30 JCEDRN CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918419208 1068447975 /nfs/dbraw/zinc/44/79/75/1068447975.db2.gz BZRXPIXOTGKIFO-XLNRJJMWSA-N 0 0 464.548 0.264 20 30 JCEDRN CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918420772 1068448774 /nfs/dbraw/zinc/44/87/74/1068448774.db2.gz UXCLJHQOCXEKLK-OQKWZONESA-N 0 0 464.548 0.264 20 30 JCEDRN CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918420773 1068448768 /nfs/dbraw/zinc/44/87/68/1068448768.db2.gz UXCLJHQOCXEKLK-XLNRJJMWSA-N 0 0 464.548 0.264 20 30 JCEDRN CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918422702 1068450111 /nfs/dbraw/zinc/45/01/11/1068450111.db2.gz GIYOLOBWHIZKAN-CYMZXICGSA-N 0 0 454.549 0.588 20 30 JCEDRN CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918422703 1068450057 /nfs/dbraw/zinc/45/00/57/1068450057.db2.gz GIYOLOBWHIZKAN-FVOSJULTSA-N 0 0 454.549 0.588 20 30 JCEDRN CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918422704 1068450283 /nfs/dbraw/zinc/45/02/83/1068450283.db2.gz GIYOLOBWHIZKAN-PDNPPFGYSA-N 0 0 454.549 0.588 20 30 JCEDRN CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918422705 1068450088 /nfs/dbraw/zinc/45/00/88/1068450088.db2.gz GIYOLOBWHIZKAN-PJWCADQQSA-N 0 0 454.549 0.588 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000918422993 1068450214 /nfs/dbraw/zinc/45/02/14/1068450214.db2.gz FOMAWHQEYAEECW-ACNSNUFOSA-N 0 0 499.615 0.226 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000918422994 1068450843 /nfs/dbraw/zinc/45/08/43/1068450843.db2.gz FOMAWHQEYAEECW-CVIUTVQRSA-N 0 0 499.615 0.226 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000918422995 1068450788 /nfs/dbraw/zinc/45/07/88/1068450788.db2.gz FOMAWHQEYAEECW-SAZKUCFMSA-N 0 0 499.615 0.226 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000918422996 1068450908 /nfs/dbraw/zinc/45/09/08/1068450908.db2.gz FOMAWHQEYAEECW-VKWHMPGMSA-N 0 0 499.615 0.226 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000918423950 1068451432 /nfs/dbraw/zinc/45/14/32/1068451432.db2.gz IYZQJPHQYTXCKS-ACNSNUFOSA-N 0 0 499.615 0.226 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000918423952 1068451507 /nfs/dbraw/zinc/45/15/07/1068451507.db2.gz IYZQJPHQYTXCKS-CVIUTVQRSA-N 0 0 499.615 0.226 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000918423955 1068451481 /nfs/dbraw/zinc/45/14/81/1068451481.db2.gz IYZQJPHQYTXCKS-SAZKUCFMSA-N 0 0 499.615 0.226 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000918423957 1068451405 /nfs/dbraw/zinc/45/14/05/1068451405.db2.gz IYZQJPHQYTXCKS-VKWHMPGMSA-N 0 0 499.615 0.226 20 30 JCEDRN CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918424414 1068452148 /nfs/dbraw/zinc/45/21/48/1068452148.db2.gz UOMCVBVBVNXDIU-CYMZXICGSA-N 0 0 454.549 0.588 20 30 JCEDRN CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918424415 1068452179 /nfs/dbraw/zinc/45/21/79/1068452179.db2.gz UOMCVBVBVNXDIU-FVOSJULTSA-N 0 0 454.549 0.588 20 30 JCEDRN CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918424417 1068452142 /nfs/dbraw/zinc/45/21/42/1068452142.db2.gz UOMCVBVBVNXDIU-PDNPPFGYSA-N 0 0 454.549 0.588 20 30 JCEDRN CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918424420 1068452059 /nfs/dbraw/zinc/45/20/59/1068452059.db2.gz UOMCVBVBVNXDIU-PJWCADQQSA-N 0 0 454.549 0.588 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 ZINC000918427528 1068454164 /nfs/dbraw/zinc/45/41/64/1068454164.db2.gz LTXFTZGUJDIDNR-LGUFXXKBSA-N 0 0 487.538 0.690 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 ZINC000918427529 1068454059 /nfs/dbraw/zinc/45/40/59/1068454059.db2.gz LTXFTZGUJDIDNR-XHPQRKPJSA-N 0 0 487.538 0.690 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)c1 ZINC000918427740 1068454871 /nfs/dbraw/zinc/45/48/71/1068454871.db2.gz UZXOUZIWLMIHJG-LGUFXXKBSA-N 0 0 487.538 0.690 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)c1 ZINC000918427741 1068454721 /nfs/dbraw/zinc/45/47/21/1068454721.db2.gz UZXOUZIWLMIHJG-XHPQRKPJSA-N 0 0 487.538 0.690 20 30 JCEDRN C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 ZINC000918428774 1068441059 /nfs/dbraw/zinc/44/10/59/1068441059.db2.gz OZQHPOOPDBRSHL-UHFFFAOYSA-N 0 0 452.492 0.634 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 ZINC000918428841 1068440860 /nfs/dbraw/zinc/44/08/60/1068440860.db2.gz QDVUSQQHINMMRX-UHFFFAOYSA-N 0 0 483.506 0.555 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000918428957 1068441834 /nfs/dbraw/zinc/44/18/34/1068441834.db2.gz FJNWJJDWQAGILF-LHLOQNFPSA-N 0 0 498.565 0.818 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000918428958 1068441820 /nfs/dbraw/zinc/44/18/20/1068441820.db2.gz FJNWJJDWQAGILF-QOMWVZHYSA-N 0 0 498.565 0.818 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000918429587 1068441786 /nfs/dbraw/zinc/44/17/86/1068441786.db2.gz LJPRONDSDWMXBV-LHLOQNFPSA-N 0 0 498.565 0.818 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000918429590 1068441739 /nfs/dbraw/zinc/44/17/39/1068441739.db2.gz LJPRONDSDWMXBV-QOMWVZHYSA-N 0 0 498.565 0.818 20 30 JCEDRN Cn1cnnc1C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918435692 1068443943 /nfs/dbraw/zinc/44/39/43/1068443943.db2.gz SKEMDNNQIDUDBL-BWAHOGKJSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918435693 1068443957 /nfs/dbraw/zinc/44/39/57/1068443957.db2.gz SKEMDNNQIDUDBL-XIEYBQDHSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918435799 1068444686 /nfs/dbraw/zinc/44/46/86/1068444686.db2.gz VXWZRXXLFIROKK-BWAHOGKJSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918435800 1068444651 /nfs/dbraw/zinc/44/46/51/1068444651.db2.gz VXWZRXXLFIROKK-XIEYBQDHSA-N 0 0 473.559 0.973 20 30 JCEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)C[C@H](C)O1 ZINC000918436007 1068445308 /nfs/dbraw/zinc/44/53/08/1068445308.db2.gz QGXDPMSRJMQUIZ-HOTGVXAUSA-N 0 0 465.532 0.026 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)C[C@@H](C)O1 ZINC000918436008 1068445261 /nfs/dbraw/zinc/44/52/61/1068445261.db2.gz QGXDPMSRJMQUIZ-HZPDHXFCSA-N 0 0 465.532 0.026 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)C[C@H](C)O1 ZINC000918436009 1068445232 /nfs/dbraw/zinc/44/52/32/1068445232.db2.gz QGXDPMSRJMQUIZ-IYBDPMFKSA-N 0 0 465.532 0.026 20 30 JCEDRN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000918436407 1068446528 /nfs/dbraw/zinc/44/65/28/1068446528.db2.gz CTMAKNLZQUVTRN-UHFFFAOYSA-N 0 0 488.526 0.893 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)c1 ZINC000918436549 1068446618 /nfs/dbraw/zinc/44/66/18/1068446618.db2.gz JHMRUCKWASQOSU-ITYLOYPMSA-N 0 0 493.586 0.616 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)c1 ZINC000918436550 1068446464 /nfs/dbraw/zinc/44/64/64/1068446464.db2.gz JHMRUCKWASQOSU-NLRVBDNBSA-N 0 0 493.586 0.616 20 30 JCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000918436845 1068447305 /nfs/dbraw/zinc/44/73/05/1068447305.db2.gz FYIDQHUZKLDHOI-UHFFFAOYSA-N 0 0 463.498 0.647 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000918436857 1068447396 /nfs/dbraw/zinc/44/73/96/1068447396.db2.gz GMANRTCKHIYMNQ-UHFFFAOYSA-N 0 0 453.480 0.821 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000918437711 1068461814 /nfs/dbraw/zinc/46/18/14/1068461814.db2.gz LSGXXLCITRYITR-UHFFFAOYSA-N 0 0 498.565 0.912 20 30 JCEDRN Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000918438306 1068462248 /nfs/dbraw/zinc/46/22/48/1068462248.db2.gz IWEUOSLBXVLRDC-OCDBCJEZSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000918438311 1068462294 /nfs/dbraw/zinc/46/22/94/1068462294.db2.gz IWEUOSLBXVLRDC-UCXBAENPSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000918438315 1068462367 /nfs/dbraw/zinc/46/23/67/1068462367.db2.gz IWEUOSLBXVLRDC-VKEPEHDUSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000918438318 1068462353 /nfs/dbraw/zinc/46/23/53/1068462353.db2.gz IWEUOSLBXVLRDC-WZTHKDHVSA-N 0 0 473.559 0.973 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 ZINC000918439421 1068462925 /nfs/dbraw/zinc/46/29/25/1068462925.db2.gz KLELIHBLHLUSLP-HKOYGPOVSA-N 0 0 493.567 0.402 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 ZINC000918439423 1068462773 /nfs/dbraw/zinc/46/27/73/1068462773.db2.gz KLELIHBLHLUSLP-MOHJPFBDSA-N 0 0 493.567 0.402 20 30 JCEDRN Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000918440267 1068463565 /nfs/dbraw/zinc/46/35/65/1068463565.db2.gz SCEQJBKPFKWQCS-OCDBCJEZSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 ZINC000918440270 1068463478 /nfs/dbraw/zinc/46/34/78/1068463478.db2.gz SCEQJBKPFKWQCS-UCXBAENPSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 ZINC000918440275 1068463579 /nfs/dbraw/zinc/46/35/79/1068463579.db2.gz SCEQJBKPFKWQCS-VKEPEHDUSA-N 0 0 473.559 0.973 20 30 JCEDRN Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000918440277 1068463546 /nfs/dbraw/zinc/46/35/46/1068463546.db2.gz SCEQJBKPFKWQCS-WZTHKDHVSA-N 0 0 473.559 0.973 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 ZINC000918441178 1068464359 /nfs/dbraw/zinc/46/43/59/1068464359.db2.gz XPJUSTOGNKTXCS-HKOYGPOVSA-N 0 0 493.567 0.402 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 ZINC000918441179 1068464353 /nfs/dbraw/zinc/46/43/53/1068464353.db2.gz XPJUSTOGNKTXCS-MOHJPFBDSA-N 0 0 493.567 0.402 20 30 JCEDRN CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918442316 1068455591 /nfs/dbraw/zinc/45/55/91/1068455591.db2.gz IWEOXXUEXRHGOO-NKFKGCMQSA-N 0 0 499.615 0.368 20 30 JCEDRN CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918442317 1068455651 /nfs/dbraw/zinc/45/56/51/1068455651.db2.gz IWEOXXUEXRHGOO-PTGBLXJZSA-N 0 0 499.615 0.368 20 30 JCEDRN CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918442548 1068455523 /nfs/dbraw/zinc/45/55/23/1068455523.db2.gz PCWOQVLDOKUARD-NKFKGCMQSA-N 0 0 499.615 0.368 20 30 JCEDRN CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918442549 1068455656 /nfs/dbraw/zinc/45/56/56/1068455656.db2.gz PCWOQVLDOKUARD-PTGBLXJZSA-N 0 0 499.615 0.368 20 30 JCEDRN N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000918442679 1068456245 /nfs/dbraw/zinc/45/62/45/1068456245.db2.gz QLJWOFDNIGWGRJ-UHFFFAOYSA-N 0 0 450.474 0.921 20 30 JCEDRN CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918445516 1068457585 /nfs/dbraw/zinc/45/75/85/1068457585.db2.gz IQBQBINHWHSLFQ-BJJKHMRRSA-N 0 0 451.549 0.859 20 30 JCEDRN CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918445518 1068457635 /nfs/dbraw/zinc/45/76/35/1068457635.db2.gz IQBQBINHWHSLFQ-OZWUBDKWSA-N 0 0 451.549 0.859 20 30 JCEDRN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918445520 1068457532 /nfs/dbraw/zinc/45/75/32/1068457532.db2.gz IQBQBINHWHSLFQ-QVINMUBDSA-N 0 0 451.549 0.859 20 30 JCEDRN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918445522 1068457549 /nfs/dbraw/zinc/45/75/49/1068457549.db2.gz IQBQBINHWHSLFQ-SKSQCXPCSA-N 0 0 451.549 0.859 20 30 JCEDRN CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918446250 1068457565 /nfs/dbraw/zinc/45/75/65/1068457565.db2.gz RQCNDCXFWRRVDF-BJJKHMRRSA-N 0 0 451.549 0.859 20 30 JCEDRN CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918446251 1068457645 /nfs/dbraw/zinc/45/76/45/1068457645.db2.gz RQCNDCXFWRRVDF-OZWUBDKWSA-N 0 0 451.549 0.859 20 30 JCEDRN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918446252 1068457597 /nfs/dbraw/zinc/45/75/97/1068457597.db2.gz RQCNDCXFWRRVDF-QVINMUBDSA-N 0 0 451.549 0.859 20 30 JCEDRN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918446253 1068457572 /nfs/dbraw/zinc/45/75/72/1068457572.db2.gz RQCNDCXFWRRVDF-SKSQCXPCSA-N 0 0 451.549 0.859 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000918446816 1068458364 /nfs/dbraw/zinc/45/83/64/1068458364.db2.gz CFMPGUSZVNZQRM-CGDDYCGFSA-N 0 0 488.570 0.821 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000918446818 1068458278 /nfs/dbraw/zinc/45/82/78/1068458278.db2.gz CFMPGUSZVNZQRM-IBGRPIGGSA-N 0 0 488.570 0.821 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000918446822 1068458329 /nfs/dbraw/zinc/45/83/29/1068458329.db2.gz CFMPGUSZVNZQRM-OILZTRLPSA-N 0 0 488.570 0.821 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000918446826 1068458247 /nfs/dbraw/zinc/45/82/47/1068458247.db2.gz CFMPGUSZVNZQRM-TUQDJIKESA-N 0 0 488.570 0.821 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 ZINC000918450051 1068458877 /nfs/dbraw/zinc/45/88/77/1068458877.db2.gz QZEAIFUPKILVBV-CGDDYCGFSA-N 0 0 488.570 0.821 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 ZINC000918450053 1068458950 /nfs/dbraw/zinc/45/89/50/1068458950.db2.gz QZEAIFUPKILVBV-IBGRPIGGSA-N 0 0 488.570 0.821 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000918450055 1068459062 /nfs/dbraw/zinc/45/90/62/1068459062.db2.gz QZEAIFUPKILVBV-OILZTRLPSA-N 0 0 488.570 0.821 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000918450058 1068459048 /nfs/dbraw/zinc/45/90/48/1068459048.db2.gz QZEAIFUPKILVBV-TUQDJIKESA-N 0 0 488.570 0.821 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 ZINC000918452030 1068459751 /nfs/dbraw/zinc/45/97/51/1068459751.db2.gz IPNQZZHLNPEHDT-ITYLOYPMSA-N 0 0 487.542 0.552 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 ZINC000918452031 1068460517 /nfs/dbraw/zinc/46/05/17/1068460517.db2.gz IPNQZZHLNPEHDT-NLRVBDNBSA-N 0 0 487.542 0.552 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1 ZINC000918452177 1068460482 /nfs/dbraw/zinc/46/04/82/1068460482.db2.gz NXWFYTBJKRHSKL-BWAHOGKJSA-N 0 0 475.531 0.539 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1 ZINC000918452178 1068460462 /nfs/dbraw/zinc/46/04/62/1068460462.db2.gz NXWFYTBJKRHSKL-XIEYBQDHSA-N 0 0 475.531 0.539 20 30 JCEDRN CNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cn1 ZINC000918452267 1068460522 /nfs/dbraw/zinc/46/05/22/1068460522.db2.gz PVFAPZKRVHTFMW-ITYLOYPMSA-N 0 0 489.558 0.799 20 30 JCEDRN CNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cn1 ZINC000918452283 1068460534 /nfs/dbraw/zinc/46/05/34/1068460534.db2.gz PVFAPZKRVHTFMW-NLRVBDNBSA-N 0 0 489.558 0.799 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 ZINC000918452649 1068460412 /nfs/dbraw/zinc/46/04/12/1068460412.db2.gz SLPKJCWZLIAEIU-ITYLOYPMSA-N 0 0 487.542 0.552 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 ZINC000918452650 1068460445 /nfs/dbraw/zinc/46/04/45/1068460445.db2.gz SLPKJCWZLIAEIU-NLRVBDNBSA-N 0 0 487.542 0.552 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC000918456130 1068465181 /nfs/dbraw/zinc/46/51/81/1068465181.db2.gz PGRSILUVAIIXGF-CYMZXICGSA-N 0 0 452.533 0.750 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC000918456134 1068465186 /nfs/dbraw/zinc/46/51/86/1068465186.db2.gz PGRSILUVAIIXGF-FVOSJULTSA-N 0 0 452.533 0.750 20 30 JCEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC000918456137 1068465197 /nfs/dbraw/zinc/46/51/97/1068465197.db2.gz PGRSILUVAIIXGF-PDNPPFGYSA-N 0 0 452.533 0.750 20 30 JCEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC000918456141 1068465167 /nfs/dbraw/zinc/46/51/67/1068465167.db2.gz PGRSILUVAIIXGF-PJWCADQQSA-N 0 0 452.533 0.750 20 30 JCEDRN COC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918456427 1068465098 /nfs/dbraw/zinc/46/50/98/1068465098.db2.gz PROWUKQYPBZEOU-LTGZKZEYSA-N 0 0 451.505 0.349 20 30 JCEDRN COC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918456431 1068465192 /nfs/dbraw/zinc/46/51/92/1068465192.db2.gz PROWUKQYPBZEOU-PGMHBOJBSA-N 0 0 451.505 0.349 20 30 JCEDRN COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918456722 1068465018 /nfs/dbraw/zinc/46/50/18/1068465018.db2.gz UIQKBOFMESHXJR-LTGZKZEYSA-N 0 0 451.505 0.349 20 30 JCEDRN COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918456726 1068465161 /nfs/dbraw/zinc/46/51/61/1068465161.db2.gz UIQKBOFMESHXJR-PGMHBOJBSA-N 0 0 451.505 0.349 20 30 JCEDRN CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 ZINC000918462267 1068465851 /nfs/dbraw/zinc/46/58/51/1068465851.db2.gz DXZWGZOIEFCPLJ-NKFKGCMQSA-N 0 0 463.560 0.909 20 30 JCEDRN CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 ZINC000918462268 1068465806 /nfs/dbraw/zinc/46/58/06/1068465806.db2.gz DXZWGZOIEFCPLJ-PTGBLXJZSA-N 0 0 463.560 0.909 20 30 JCEDRN CCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 ZINC000918463271 1068466555 /nfs/dbraw/zinc/46/65/55/1068466555.db2.gz PHXOBMHLQMVHCY-NKFKGCMQSA-N 0 0 463.560 0.909 20 30 JCEDRN CCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 ZINC000918463273 1068466516 /nfs/dbraw/zinc/46/65/16/1068466516.db2.gz PHXOBMHLQMVHCY-PTGBLXJZSA-N 0 0 463.560 0.909 20 30 JCEDRN CCN(CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)S(C)(=O)=O ZINC000918465433 1068467807 /nfs/dbraw/zinc/46/78/07/1068467807.db2.gz MIPJJSAJJDMRAC-OQKWZONESA-N 0 0 487.604 0.226 20 30 JCEDRN CCN(CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)S(C)(=O)=O ZINC000918465434 1068467709 /nfs/dbraw/zinc/46/77/09/1068467709.db2.gz MIPJJSAJJDMRAC-XLNRJJMWSA-N 0 0 487.604 0.226 20 30 JCEDRN CCN(CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)S(C)(=O)=O ZINC000918465859 1068468026 /nfs/dbraw/zinc/46/80/26/1068468026.db2.gz UHRGYILLGZOZIH-OQKWZONESA-N 0 0 487.604 0.226 20 30 JCEDRN CCN(CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)S(C)(=O)=O ZINC000918465860 1068467997 /nfs/dbraw/zinc/46/79/97/1068467997.db2.gz UHRGYILLGZOZIH-XLNRJJMWSA-N 0 0 487.604 0.226 20 30 JCEDRN COCCCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918467796 1068468630 /nfs/dbraw/zinc/46/86/30/1068468630.db2.gz LHUPFHCTQVXMNH-PYCFMQQDSA-N 0 0 454.549 0.949 20 30 JCEDRN COCCCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918467797 1068468565 /nfs/dbraw/zinc/46/85/65/1068468565.db2.gz LHUPFHCTQVXMNH-RELWKKBWSA-N 0 0 454.549 0.949 20 30 JCEDRN COCCCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918468435 1068468612 /nfs/dbraw/zinc/46/86/12/1068468612.db2.gz RGQQOLRRIXOXOI-PYCFMQQDSA-N 0 0 454.549 0.949 20 30 JCEDRN COCCCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918468436 1068468491 /nfs/dbraw/zinc/46/84/91/1068468491.db2.gz RGQQOLRRIXOXOI-RELWKKBWSA-N 0 0 454.549 0.949 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000918475675 1068469293 /nfs/dbraw/zinc/46/92/93/1068469293.db2.gz ANSZIXKSCMWEFK-UHFFFAOYSA-N 0 0 468.539 0.441 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)nc1 ZINC000918475692 1068469944 /nfs/dbraw/zinc/46/99/44/1068469944.db2.gz BCBPKIQEWZRQDT-UHFFFAOYSA-N 0 0 467.917 0.830 20 30 JCEDRN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000918475704 1068469890 /nfs/dbraw/zinc/46/98/90/1068469890.db2.gz BHXGVFMWPCGIQS-UHFFFAOYSA-N 0 0 458.500 0.422 20 30 JCEDRN COc1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C(=O)N(C)C)cc1OC ZINC000918475749 1068470081 /nfs/dbraw/zinc/47/00/81/1068470081.db2.gz DQBPMLCLYHPQTB-UHFFFAOYSA-N 0 0 466.498 0.960 20 30 JCEDRN CNC(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000918475854 1068470009 /nfs/dbraw/zinc/47/00/09/1068470009.db2.gz GPYFZQHFSRPMBN-JJIBRWJFSA-N 0 0 451.549 0.861 20 30 JCEDRN CNC(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000918475855 1068470001 /nfs/dbraw/zinc/47/00/01/1068470001.db2.gz GPYFZQHFSRPMBN-ULJHMMPZSA-N 0 0 451.549 0.861 20 30 JCEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 ZINC000918478402 1068469994 /nfs/dbraw/zinc/46/99/94/1068469994.db2.gz QYUYLIIPXKKGCI-UHFFFAOYSA-N 0 0 468.495 0.937 20 30 JCEDRN N#C[C@H](C(=O)CCN1CCCS1(=O)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000918487406 1068471539 /nfs/dbraw/zinc/47/15/39/1068471539.db2.gz SIDZCIXKZOMCBS-GOSISDBHSA-N 0 0 482.584 0.934 20 30 JCEDRN N#C[C@@H](C(=O)CCN1CCCS1(=O)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000918487407 1068471446 /nfs/dbraw/zinc/47/14/46/1068471446.db2.gz SIDZCIXKZOMCBS-SFHVURJKSA-N 0 0 482.584 0.934 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000918559467 1068478930 /nfs/dbraw/zinc/47/89/30/1068478930.db2.gz XTUBCUYEMFNIFU-KRWDZBQOSA-N 0 0 476.555 0.070 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000918559468 1068478876 /nfs/dbraw/zinc/47/88/76/1068478876.db2.gz XTUBCUYEMFNIFU-QGZVFWFLSA-N 0 0 476.555 0.070 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000918574614 1068482465 /nfs/dbraw/zinc/48/24/65/1068482465.db2.gz YAJFPBUEKVQERP-INIZCTEOSA-N 0 0 458.606 0.928 20 30 JCEDRN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000918574617 1068482426 /nfs/dbraw/zinc/48/24/26/1068482426.db2.gz YAJFPBUEKVQERP-MRXNPFEDSA-N 0 0 458.606 0.928 20 30 JCEDRN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000918580615 1068480874 /nfs/dbraw/zinc/48/08/74/1068480874.db2.gz ARFQYYBALHJEOX-UHFFFAOYSA-N 0 0 494.551 0.595 20 30 JCEDRN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000918580644 1068480796 /nfs/dbraw/zinc/48/07/96/1068480796.db2.gz BIFUAZFFXFNHIT-UHFFFAOYSA-N 0 0 480.524 0.205 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)cc1 ZINC000918581503 1068481472 /nfs/dbraw/zinc/48/14/72/1068481472.db2.gz NKPNDLMGISFYSU-UHFFFAOYSA-N 0 0 465.509 0.302 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)c1 ZINC000918581980 1068483038 /nfs/dbraw/zinc/48/30/38/1068483038.db2.gz RDIQXSLJOWJVOY-UHFFFAOYSA-N 0 0 465.509 0.302 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)ccc1F ZINC000918582699 1068483723 /nfs/dbraw/zinc/48/37/23/1068483723.db2.gz UJQARAHVDKLLLY-UHFFFAOYSA-N 0 0 485.515 0.994 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000918583104 1068483231 /nfs/dbraw/zinc/48/32/31/1068483231.db2.gz FGUCLDNUGNRNAK-UHFFFAOYSA-N 0 0 472.523 0.976 20 30 JCEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000918583245 1068483943 /nfs/dbraw/zinc/48/39/43/1068483943.db2.gz JHJCDFFRCLXUGM-UHFFFAOYSA-N 0 0 458.496 0.586 20 30 JCEDRN CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000918584414 1068483806 /nfs/dbraw/zinc/48/38/06/1068483806.db2.gz NECDTXFBIFZICE-UHFFFAOYSA-N 0 0 451.501 0.837 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000918585525 1068483955 /nfs/dbraw/zinc/48/39/55/1068483955.db2.gz JEFCTNNDZJZYHZ-UHFFFAOYSA-N 0 0 474.495 0.613 20 30 JCEDRN COCC(=O)NC1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918587629 1068483838 /nfs/dbraw/zinc/48/38/38/1068483838.db2.gz OBMLVEWPCIJFRD-KRWDZBQOSA-N 0 0 450.561 0.893 20 30 JCEDRN COCC(=O)NC1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918587630 1068483908 /nfs/dbraw/zinc/48/39/08/1068483908.db2.gz OBMLVEWPCIJFRD-QGZVFWFLSA-N 0 0 450.561 0.893 20 30 JCEDRN CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000918590368 1068484467 /nfs/dbraw/zinc/48/44/67/1068484467.db2.gz KWLWCCBQYIKLHB-HNNXBMFYSA-N 0 0 457.530 0.071 20 30 JCEDRN CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000918590369 1068484426 /nfs/dbraw/zinc/48/44/26/1068484426.db2.gz KWLWCCBQYIKLHB-OAHLLOKOSA-N 0 0 457.530 0.071 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 ZINC000918591917 1068484448 /nfs/dbraw/zinc/48/44/48/1068484448.db2.gz GRXJTXVKHZRCMA-UHFFFAOYSA-N 0 0 483.506 0.731 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1 ZINC000918591975 1068484392 /nfs/dbraw/zinc/48/43/92/1068484392.db2.gz HZTDXBHPCNLTCP-UHFFFAOYSA-N 0 0 483.506 0.731 20 30 JCEDRN O=C(CCN=C1NS(=O)(=O)c2ccccc21)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC000918592414 1068484324 /nfs/dbraw/zinc/48/43/24/1068484324.db2.gz OHPJNXUMMGCNKL-UHFFFAOYSA-N 0 0 498.521 0.634 20 30 JCEDRN O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)CN=C2NS(=O)(=O)c3ccccc32)cc1 ZINC000918592698 1068484460 /nfs/dbraw/zinc/48/44/60/1068484460.db2.gz PIMHZLPWAJMELY-UHFFFAOYSA-N 0 0 484.494 0.244 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000918597829 1068482976 /nfs/dbraw/zinc/48/29/76/1068482976.db2.gz OKIWBXQTZOJWFJ-GOSISDBHSA-N 0 0 485.566 0.671 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000918597830 1068483001 /nfs/dbraw/zinc/48/30/01/1068483001.db2.gz OKIWBXQTZOJWFJ-SFHVURJKSA-N 0 0 485.566 0.671 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000918603695 1068489689 /nfs/dbraw/zinc/48/96/89/1068489689.db2.gz CJBPESNSLKYVMD-GOSISDBHSA-N 0 0 489.598 0.433 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000918603696 1068485117 /nfs/dbraw/zinc/48/51/17/1068485117.db2.gz CJBPESNSLKYVMD-SFHVURJKSA-N 0 0 489.598 0.433 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000918605172 1068485734 /nfs/dbraw/zinc/48/57/34/1068485734.db2.gz WVWDGPQIZIALPQ-KRWDZBQOSA-N 0 0 475.571 0.089 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000918605173 1068485716 /nfs/dbraw/zinc/48/57/16/1068485716.db2.gz WVWDGPQIZIALPQ-QGZVFWFLSA-N 0 0 475.571 0.089 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 ZINC000918607711 1068485574 /nfs/dbraw/zinc/48/55/74/1068485574.db2.gz AADHVRNLKVHKLP-LTGZKZEYSA-N 0 0 454.534 0.150 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 ZINC000918607712 1068485774 /nfs/dbraw/zinc/48/57/74/1068485774.db2.gz AADHVRNLKVHKLP-PGMHBOJBSA-N 0 0 454.534 0.150 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000918609458 1068486362 /nfs/dbraw/zinc/48/63/62/1068486362.db2.gz XGTOUNYWMUTYCA-WKCPZHCVSA-N 0 0 482.584 0.474 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000918609459 1068486333 /nfs/dbraw/zinc/48/63/33/1068486333.db2.gz XGTOUNYWMUTYCA-XSAZEUPQSA-N 0 0 482.584 0.474 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000918609461 1068486356 /nfs/dbraw/zinc/48/63/56/1068486356.db2.gz XGTOUNYWMUTYCA-YIAMGWMBSA-N 0 0 482.584 0.474 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000918609463 1068486289 /nfs/dbraw/zinc/48/62/89/1068486289.db2.gz XGTOUNYWMUTYCA-YJRIJEEWSA-N 0 0 482.584 0.474 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000918609615 1068486276 /nfs/dbraw/zinc/48/62/76/1068486276.db2.gz YZLRUHCYZPEMNY-ULJHMMPZSA-N 0 0 470.511 0.697 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 ZINC000918609748 1068486260 /nfs/dbraw/zinc/48/62/60/1068486260.db2.gz ACPMQVHDUWMBEQ-OQKWZONESA-N 0 0 463.541 0.936 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 ZINC000918609749 1068486255 /nfs/dbraw/zinc/48/62/55/1068486255.db2.gz ACPMQVHDUWMBEQ-XLNRJJMWSA-N 0 0 463.541 0.936 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000918609771 1068486283 /nfs/dbraw/zinc/48/62/83/1068486283.db2.gz AUQVVJOMANKGLM-JLPGSUDCSA-N 0 0 487.542 0.275 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000918609772 1068486231 /nfs/dbraw/zinc/48/62/31/1068486231.db2.gz AUQVVJOMANKGLM-LFVJCYFKSA-N 0 0 487.542 0.275 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000918609821 1068486247 /nfs/dbraw/zinc/48/62/47/1068486247.db2.gz CAZNDZNFQWWCGD-JJIBRWJFSA-N 0 0 470.511 0.697 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000918609822 1068486310 /nfs/dbraw/zinc/48/63/10/1068486310.db2.gz CAZNDZNFQWWCGD-ULJHMMPZSA-N 0 0 470.511 0.697 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)ccc1F ZINC000918610392 1068486973 /nfs/dbraw/zinc/48/69/73/1068486973.db2.gz ZIXTYJKWMSHITD-UHFFFAOYSA-N 0 0 474.514 0.792 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 ZINC000918610981 1068486949 /nfs/dbraw/zinc/48/69/49/1068486949.db2.gz VXQKMCUIPGNVPH-FXBPSFAMSA-N 0 0 463.541 0.936 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 ZINC000918610982 1068487056 /nfs/dbraw/zinc/48/70/56/1068487056.db2.gz VXQKMCUIPGNVPH-HEHNFIMWSA-N 0 0 463.541 0.936 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 ZINC000918616497 1068488629 /nfs/dbraw/zinc/48/86/29/1068488629.db2.gz PINWMGYQILCUKV-LTGZKZEYSA-N 0 0 454.534 0.150 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 ZINC000918616498 1068488600 /nfs/dbraw/zinc/48/86/00/1068488600.db2.gz PINWMGYQILCUKV-PGMHBOJBSA-N 0 0 454.534 0.150 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000918617635 1068489089 /nfs/dbraw/zinc/48/90/89/1068489089.db2.gz YKUSZMKKBPDMHN-WKCPZHCVSA-N 0 0 482.584 0.474 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000918617636 1068489170 /nfs/dbraw/zinc/48/91/70/1068489170.db2.gz YKUSZMKKBPDMHN-XSAZEUPQSA-N 0 0 482.584 0.474 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000918617637 1068489174 /nfs/dbraw/zinc/48/91/74/1068489174.db2.gz YKUSZMKKBPDMHN-YIAMGWMBSA-N 0 0 482.584 0.474 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000918617638 1068489077 /nfs/dbraw/zinc/48/90/77/1068489077.db2.gz YKUSZMKKBPDMHN-YJRIJEEWSA-N 0 0 482.584 0.474 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000918623240 1068489762 /nfs/dbraw/zinc/48/97/62/1068489762.db2.gz LBFXLFLNOFVRJD-IBGZPJMESA-N 0 0 485.614 0.868 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000918623241 1068489842 /nfs/dbraw/zinc/48/98/42/1068489842.db2.gz LBFXLFLNOFVRJD-LJQANCHMSA-N 0 0 485.614 0.868 20 30 JCEDRN CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C(=O)C1=O ZINC000918635500 1068491857 /nfs/dbraw/zinc/49/18/57/1068491857.db2.gz PRNVKFZDMDJENE-NKFKGCMQSA-N 0 0 463.560 0.909 20 30 JCEDRN CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C(=O)C1=O ZINC000918635501 1068491840 /nfs/dbraw/zinc/49/18/40/1068491840.db2.gz PRNVKFZDMDJENE-PTGBLXJZSA-N 0 0 463.560 0.909 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cn1 ZINC000918635552 1068491814 /nfs/dbraw/zinc/49/18/14/1068491814.db2.gz QXZSGFBGQQMBIQ-NKFKGCMQSA-N 0 0 482.588 0.930 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cn1 ZINC000918635554 1068492084 /nfs/dbraw/zinc/49/20/84/1068492084.db2.gz QXZSGFBGQQMBIQ-PTGBLXJZSA-N 0 0 482.588 0.930 20 30 JCEDRN NS(=O)(=O)N1CCc2ccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc21 ZINC000918639231 1068492462 /nfs/dbraw/zinc/49/24/62/1068492462.db2.gz LEFACMWQZDXMDQ-UHFFFAOYSA-N 0 0 463.541 0.710 20 30 JCEDRN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000918639343 1068492485 /nfs/dbraw/zinc/49/24/85/1068492485.db2.gz AFAQQQHVLQDHLD-HNNXBMFYSA-N 0 0 456.590 0.826 20 30 JCEDRN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000918639345 1068493195 /nfs/dbraw/zinc/49/31/95/1068493195.db2.gz AFAQQQHVLQDHLD-OAHLLOKOSA-N 0 0 456.590 0.826 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918647173 1068491256 /nfs/dbraw/zinc/49/12/56/1068491256.db2.gz IROWDGBWQXIXAJ-UHFFFAOYSA-N 0 0 451.549 0.394 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000918647401 1068491236 /nfs/dbraw/zinc/49/12/36/1068491236.db2.gz PWDZOXXMSSIANR-UHFFFAOYSA-N 0 0 450.561 0.881 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cn1 ZINC000918656793 1068494972 /nfs/dbraw/zinc/49/49/72/1068494972.db2.gz IMFKJCJUBOLGRY-NKFKGCMQSA-N 0 0 482.588 0.930 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cn1 ZINC000918656794 1068495059 /nfs/dbraw/zinc/49/50/59/1068495059.db2.gz IMFKJCJUBOLGRY-PTGBLXJZSA-N 0 0 482.588 0.930 20 30 JCEDRN CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C(=O)C1=O ZINC000918657088 1068494993 /nfs/dbraw/zinc/49/49/93/1068494993.db2.gz MUNANWXUWVLDKQ-NKFKGCMQSA-N 0 0 463.560 0.909 20 30 JCEDRN CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C(=O)C1=O ZINC000918657089 1068494986 /nfs/dbraw/zinc/49/49/86/1068494986.db2.gz MUNANWXUWVLDKQ-PTGBLXJZSA-N 0 0 463.560 0.909 20 30 JCEDRN CCN(CCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O ZINC000918669701 1068494598 /nfs/dbraw/zinc/49/45/98/1068494598.db2.gz FYIGADRMTUAFAR-INIZCTEOSA-N 0 0 458.606 0.928 20 30 JCEDRN CCN(CCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O ZINC000918669704 1068494542 /nfs/dbraw/zinc/49/45/42/1068494542.db2.gz FYIGADRMTUAFAR-MRXNPFEDSA-N 0 0 458.606 0.928 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000918729088 1068499319 /nfs/dbraw/zinc/49/93/19/1068499319.db2.gz BGPIGRLMBODOQD-UHFFFAOYSA-N 0 0 488.573 0.580 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O ZINC000918729129 1068499336 /nfs/dbraw/zinc/49/93/36/1068499336.db2.gz BTOYWQIIRPUIRF-UHFFFAOYSA-N 0 0 474.970 0.785 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(=O)N(C)C ZINC000918729151 1068500075 /nfs/dbraw/zinc/50/00/75/1068500075.db2.gz BZPZFQZZYLANMZ-UHFFFAOYSA-N 0 0 490.585 0.931 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C ZINC000918729164 1068500046 /nfs/dbraw/zinc/50/00/46/1068500046.db2.gz CIUHNQKAPZYZOF-UHFFFAOYSA-N 0 0 490.589 0.874 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CC(=O)N(C)C ZINC000918729223 1068499990 /nfs/dbraw/zinc/49/99/90/1068499990.db2.gz DPDPGXSVHVMYDN-UHFFFAOYSA-N 0 0 454.552 0.592 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C ZINC000918729236 1068500029 /nfs/dbraw/zinc/50/00/29/1068500029.db2.gz FGQCIWLGLXMYSB-UHFFFAOYSA-N 0 0 476.562 0.484 20 30 JCEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(=O)N(C)C ZINC000918729259 1068499948 /nfs/dbraw/zinc/49/99/48/1068499948.db2.gz AEXHEMZDXOZLTF-UHFFFAOYSA-N 0 0 451.508 0.126 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(=O)N(C)C ZINC000918729283 1068500006 /nfs/dbraw/zinc/50/00/06/1068500006.db2.gz GCBUTRMKHBAPDA-UHFFFAOYSA-N 0 0 462.959 0.689 20 30 JCEDRN C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000918729336 1068499997 /nfs/dbraw/zinc/49/99/97/1068499997.db2.gz HJVOTQSEDIMYSP-JOCHJYFZSA-N 0 0 468.539 0.903 20 30 JCEDRN C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000918729337 1068500054 /nfs/dbraw/zinc/50/00/54/1068500054.db2.gz HJVOTQSEDIMYSP-QFIPXVFZSA-N 0 0 468.539 0.903 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O ZINC000918729370 1068500085 /nfs/dbraw/zinc/50/00/85/1068500085.db2.gz ITRHQUPOGYUOFY-UHFFFAOYSA-N 0 0 476.986 0.935 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000918729411 1068499979 /nfs/dbraw/zinc/49/99/79/1068499979.db2.gz BVAYGARBABQWEE-UHFFFAOYSA-N 0 0 470.599 0.511 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(=O)N(C)C ZINC000918729452 1068499958 /nfs/dbraw/zinc/49/99/58/1068499958.db2.gz KDENDYQNGXPOQJ-UHFFFAOYSA-N 0 0 492.985 0.316 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(=O)N(C)C ZINC000918729513 1068499940 /nfs/dbraw/zinc/49/99/40/1068499940.db2.gz LPBOQRVCUZILQG-UHFFFAOYSA-N 0 0 460.943 0.465 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O ZINC000918729542 1068500062 /nfs/dbraw/zinc/50/00/62/1068500062.db2.gz MEUGTMFHNSQLNV-UHFFFAOYSA-N 0 0 460.943 0.442 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O ZINC000918729561 1068500022 /nfs/dbraw/zinc/50/00/22/1068500022.db2.gz MQCLVNVXUMNJJH-UHFFFAOYSA-N 0 0 462.959 0.688 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C ZINC000918729610 1068500094 /nfs/dbraw/zinc/50/00/94/1068500094.db2.gz OAIQUROVAZHEKL-UHFFFAOYSA-N 0 0 474.546 0.260 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C ZINC000918729614 1068500112 /nfs/dbraw/zinc/50/01/12/1068500112.db2.gz OKBVFIDJIXWEAK-UHFFFAOYSA-N 0 0 490.589 0.730 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(=O)N(C)C ZINC000918729674 1068500101 /nfs/dbraw/zinc/50/01/01/1068500101.db2.gz GMXCQSZDZLBVEC-UHFFFAOYSA-N 0 0 462.478 0.405 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnc(-c3ccccc3)nc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000918729701 1068499969 /nfs/dbraw/zinc/49/99/69/1068499969.db2.gz QVGGROGQAZRBAP-UHFFFAOYSA-N 0 0 474.546 0.237 20 30 JCEDRN CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(=O)N(C)C ZINC000918729724 1068500014 /nfs/dbraw/zinc/50/00/14/1068500014.db2.gz HVEVIIIWXNYTHR-UHFFFAOYSA-N 0 0 480.550 0.272 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000918729732 1068500039 /nfs/dbraw/zinc/50/00/39/1068500039.db2.gz IKJAEKJURWLQLU-UHFFFAOYSA-N 0 0 464.469 0.822 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2I)sc1=C(C#N)C#N ZINC000918729772 1068500480 /nfs/dbraw/zinc/50/04/80/1068500480.db2.gz IZTIWRBWXOIZAL-UHFFFAOYSA-N 0 0 464.288 0.629 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(=O)N(C)C ZINC000918729839 1068500429 /nfs/dbraw/zinc/50/04/29/1068500429.db2.gz KMFVZRMUOOROPX-UHFFFAOYSA-N 0 0 460.943 0.465 20 30 JCEDRN Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCN2CCOCC2)c1 ZINC000918729884 1068500541 /nfs/dbraw/zinc/50/05/41/1068500541.db2.gz RCCJFQLVJXOYOX-UHFFFAOYSA-N 0 0 477.590 0.978 20 30 JCEDRN COCCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000918729894 1068500564 /nfs/dbraw/zinc/50/05/64/1068500564.db2.gz RGBYRMHYHDXVNM-UHFFFAOYSA-N 0 0 470.532 0.926 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000918729929 1068500604 /nfs/dbraw/zinc/50/06/04/1068500604.db2.gz LEBWLROLUCNGCF-UHFFFAOYSA-N 0 0 456.572 0.075 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(=O)N(C)C ZINC000918729970 1068500444 /nfs/dbraw/zinc/50/04/44/1068500444.db2.gz XMCSQQYLHZVDGM-UHFFFAOYSA-N 0 0 476.562 0.483 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000918729978 1068500583 /nfs/dbraw/zinc/50/05/83/1068500583.db2.gz MHXZEWBTZLZWJN-UHFFFAOYSA-N 0 0 475.368 0.566 20 30 JCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000918729986 1068500552 /nfs/dbraw/zinc/50/05/52/1068500552.db2.gz MMKMNZJNACYUGJ-UHFFFAOYSA-N 0 0 458.588 0.225 20 30 JCEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(=O)N(C)C)c1=O ZINC000918729995 1068500572 /nfs/dbraw/zinc/50/05/72/1068500572.db2.gz YWCALPIJCRVASA-UHFFFAOYSA-N 0 0 490.969 0.022 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000918730097 1068498817 /nfs/dbraw/zinc/49/88/17/1068498817.db2.gz OZYVOVNHMCSAQN-UHFFFAOYSA-N 0 0 480.468 0.702 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000918730128 1068498824 /nfs/dbraw/zinc/49/88/24/1068498824.db2.gz PQHPIYYXERRSCV-UHFFFAOYSA-N 0 0 493.358 0.705 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(=O)N(C)C ZINC000918730197 1068502024 /nfs/dbraw/zinc/50/20/24/1068502024.db2.gz QUJUWYVAVJZPBS-UHFFFAOYSA-N 0 0 475.368 0.566 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000918730198 1068502215 /nfs/dbraw/zinc/50/22/15/1068502215.db2.gz QVEKVILEMFNFFY-UHFFFAOYSA-N 0 0 458.588 0.369 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)N(C)C ZINC000918730202 1068501960 /nfs/dbraw/zinc/50/19/60/1068501960.db2.gz REHHSKPBGOLOST-UHFFFAOYSA-N 0 0 464.469 0.822 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(=O)N(C)C ZINC000918730204 1068502067 /nfs/dbraw/zinc/50/20/67/1068502067.db2.gz RJKGFTQMZPLAJA-UHFFFAOYSA-N 0 0 481.397 0.627 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(=O)N(C)C ZINC000918730216 1068502108 /nfs/dbraw/zinc/50/21/08/1068502108.db2.gz SNZZRTLKDYEWOA-UHFFFAOYSA-N 0 0 488.953 0.228 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(=O)N(C)C ZINC000918730234 1068502095 /nfs/dbraw/zinc/50/20/95/1068502095.db2.gz UFCIRWQLXIPKSK-UHFFFAOYSA-N 0 0 474.926 0.185 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(=O)N(C)C ZINC000918730237 1068501980 /nfs/dbraw/zinc/50/19/80/1068501980.db2.gz UKGNTMXKGASMTO-UHFFFAOYSA-N 0 0 481.397 0.627 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CC(=O)N(C)C ZINC000918730275 1068502154 /nfs/dbraw/zinc/50/21/54/1068502154.db2.gz WJGNPSMJQJZNPG-UHFFFAOYSA-N 0 0 480.468 0.702 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(=O)N(C)C ZINC000918730290 1068502248 /nfs/dbraw/zinc/50/22/48/1068502248.db2.gz XIPIEJRVUZOPTH-UHFFFAOYSA-N 0 0 462.478 0.405 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(=O)N(C)C ZINC000918730291 1068502261 /nfs/dbraw/zinc/50/22/61/1068502261.db2.gz XJCKPEKNYKRWTD-UHFFFAOYSA-N 0 0 492.504 0.413 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)c1cccc(Cl)c1 ZINC000918730313 1068502122 /nfs/dbraw/zinc/50/21/22/1068502122.db2.gz YNKGOWBTXCHPEF-UHFFFAOYSA-N 0 0 455.927 0.771 20 30 JCEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc(Br)c1O ZINC000918730331 1068501994 /nfs/dbraw/zinc/50/19/94/1068501994.db2.gz ZMKHURUJDGIXNO-UHFFFAOYSA-N 0 0 463.313 0.501 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(=O)N(C)C ZINC000918730335 1068502167 /nfs/dbraw/zinc/50/21/67/1068502167.db2.gz ZUUFCGGRBTXAPN-UHFFFAOYSA-N 0 0 464.469 0.822 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)N(C)C ZINC000918730337 1068502234 /nfs/dbraw/zinc/50/22/34/1068502234.db2.gz ZZECSUDBHCSGQV-UHFFFAOYSA-N 0 0 475.368 0.566 20 30 JCEDRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 ZINC000918754663 1068503214 /nfs/dbraw/zinc/50/32/14/1068503214.db2.gz AOWOKKGNXFSOIA-UHFFFAOYSA-N 0 0 491.595 0.690 20 30 JCEDRN C#CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000918754910 1068503269 /nfs/dbraw/zinc/50/32/69/1068503269.db2.gz IXMCEPFYZZGUKU-CYBMUJFWSA-N 0 0 463.375 0.962 20 30 JCEDRN C#CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000918754911 1068503201 /nfs/dbraw/zinc/50/32/01/1068503201.db2.gz IXMCEPFYZZGUKU-ZDUSSCGKSA-N 0 0 463.375 0.962 20 30 JCEDRN C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@H]1CCS(=O)(=O)C1 ZINC000918755172 1068503498 /nfs/dbraw/zinc/50/34/98/1068503498.db2.gz VPWIKZSLMKGBQK-HNNXBMFYSA-N 0 0 466.585 0.405 20 30 JCEDRN C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000918755173 1068503253 /nfs/dbraw/zinc/50/32/53/1068503253.db2.gz VPWIKZSLMKGBQK-OAHLLOKOSA-N 0 0 466.585 0.405 20 30 JCEDRN C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)[C@H]1CCS(=O)(=O)C1 ZINC000918756023 1068503470 /nfs/dbraw/zinc/50/34/70/1068503470.db2.gz KMJLXMPDZSDKQF-INIZCTEOSA-N 0 0 480.612 0.888 20 30 JCEDRN C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000918756024 1068503123 /nfs/dbraw/zinc/50/31/23/1068503123.db2.gz KMJLXMPDZSDKQF-MRXNPFEDSA-N 0 0 480.612 0.888 20 30 JCEDRN O=C(CCN=C1NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000918757898 1068503309 /nfs/dbraw/zinc/50/33/09/1068503309.db2.gz NQFAXLKKARRKRJ-UHFFFAOYSA-N 0 0 466.523 0.976 20 30 JCEDRN CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000918759829 1068503788 /nfs/dbraw/zinc/50/37/88/1068503788.db2.gz NTTVQXMMOIIFPJ-UHFFFAOYSA-N 0 0 457.462 0.898 20 30 JCEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1 ZINC000918762401 1068504383 /nfs/dbraw/zinc/50/43/83/1068504383.db2.gz CJYGAKZPTYTNCY-UHFFFAOYSA-N 0 0 477.524 0.887 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000918764961 1068502605 /nfs/dbraw/zinc/50/26/05/1068502605.db2.gz LKAKPMPRSCFZTG-UHFFFAOYSA-N 0 0 477.524 0.887 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1 ZINC000918767180 1068506576 /nfs/dbraw/zinc/50/65/76/1068506576.db2.gz MBFKULBNBNPMED-UHFFFAOYSA-N 0 0 475.508 0.334 20 30 JCEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000918774449 1068507600 /nfs/dbraw/zinc/50/76/00/1068507600.db2.gz DNHPWQHCUHYXCS-GHTZIAJQSA-N 0 0 463.556 0.836 20 30 JCEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000918774450 1068507540 /nfs/dbraw/zinc/50/75/40/1068507540.db2.gz DNHPWQHCUHYXCS-NQIIRXRSSA-N 0 0 463.556 0.836 20 30 JCEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000918774451 1068507623 /nfs/dbraw/zinc/50/76/23/1068507623.db2.gz DNHPWQHCUHYXCS-RXVVDRJESA-N 0 0 463.556 0.836 20 30 JCEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000918774452 1068507570 /nfs/dbraw/zinc/50/75/70/1068507570.db2.gz DNHPWQHCUHYXCS-WIYYLYMNSA-N 0 0 463.556 0.836 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 ZINC000918780703 1068505150 /nfs/dbraw/zinc/50/51/50/1068505150.db2.gz MRFXEFNRTPKGOW-UHFFFAOYSA-N 0 0 454.516 0.958 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000918786416 1068510952 /nfs/dbraw/zinc/51/09/52/1068510952.db2.gz DBVSFOJCGVJNOX-UHFFFAOYSA-N 0 0 453.517 0.564 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000918787186 1068511055 /nfs/dbraw/zinc/51/10/55/1068511055.db2.gz LIDAMFXSSVGLNP-INIZCTEOSA-N 0 0 467.544 0.810 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000918787187 1068510971 /nfs/dbraw/zinc/51/09/71/1068510971.db2.gz LIDAMFXSSVGLNP-MRXNPFEDSA-N 0 0 467.544 0.810 20 30 JCEDRN CC1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000918795898 1068508086 /nfs/dbraw/zinc/50/80/86/1068508086.db2.gz MGTHGEXXFJUZEC-UHFFFAOYSA-N 0 0 470.442 0.328 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000918806056 1068514034 /nfs/dbraw/zinc/51/40/34/1068514034.db2.gz IEURDILVDPDXKI-UHFFFAOYSA-N 0 0 478.571 0.914 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000918806359 1068514117 /nfs/dbraw/zinc/51/41/17/1068514117.db2.gz NVBDVVPPUWWSQK-GOSISDBHSA-N 0 0 478.571 0.851 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000918806360 1068513960 /nfs/dbraw/zinc/51/39/60/1068513960.db2.gz NVBDVVPPUWWSQK-SFHVURJKSA-N 0 0 478.571 0.851 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000918807181 1068514609 /nfs/dbraw/zinc/51/46/09/1068514609.db2.gz TZDBHQSWJVHXGJ-UHFFFAOYSA-N 0 0 464.544 0.605 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)cc1 ZINC000918816835 1068519337 /nfs/dbraw/zinc/51/93/37/1068519337.db2.gz AWOOQYIOSSJZHM-UHFFFAOYSA-N 0 0 461.452 0.304 20 30 JCEDRN C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000918816837 1068519390 /nfs/dbraw/zinc/51/93/90/1068519390.db2.gz AXYDTQMERDGSNU-KRWDZBQOSA-N 0 0 490.582 0.877 20 30 JCEDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000918816839 1068519325 /nfs/dbraw/zinc/51/93/25/1068519325.db2.gz AXYDTQMERDGSNU-QGZVFWFLSA-N 0 0 490.582 0.877 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2CN2CCCC2=O)cc1 ZINC000918816842 1068519466 /nfs/dbraw/zinc/51/94/66/1068519466.db2.gz AYIRFXWBBHUCJN-UHFFFAOYSA-N 0 0 484.534 0.819 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000918816951 1068519417 /nfs/dbraw/zinc/51/94/17/1068519417.db2.gz CTFLXGKJOGKSGI-UHFFFAOYSA-N 0 0 490.513 0.672 20 30 JCEDRN CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000918817097 1068519520 /nfs/dbraw/zinc/51/95/20/1068519520.db2.gz HVPJZNDJSKLZTQ-UHFFFAOYSA-N 0 0 465.509 0.100 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000918817138 1068519492 /nfs/dbraw/zinc/51/94/92/1068519492.db2.gz JNZRYYHWMLAFSC-UHFFFAOYSA-N 0 0 484.534 0.801 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000918817154 1068519424 /nfs/dbraw/zinc/51/94/24/1068519424.db2.gz ACPYJQZCPGDNIZ-UHFFFAOYSA-N 0 0 460.512 0.596 20 30 JCEDRN NS(=O)(=O)c1ccc(C(=O)COC(=O)CCN=C2NS(=O)(=O)c3ccccc32)cc1 ZINC000918817266 1068519379 /nfs/dbraw/zinc/51/93/79/1068519379.db2.gz DMPIMZLZSRUJIB-UHFFFAOYSA-N 0 0 451.482 0.189 20 30 JCEDRN CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000918817281 1068519357 /nfs/dbraw/zinc/51/93/57/1068519357.db2.gz DPRKQUQPRSTIQU-UHFFFAOYSA-N 0 0 490.523 0.238 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000918817330 1068519368 /nfs/dbraw/zinc/51/93/68/1068519368.db2.gz NYKCXDYNMKKNIB-UHFFFAOYSA-N 0 0 470.507 0.823 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000918817335 1068519398 /nfs/dbraw/zinc/51/93/98/1068519398.db2.gz OFGMZPNLPTWIIQ-UHFFFAOYSA-N 0 0 470.507 0.588 20 30 JCEDRN O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)NC2CC2)c1 ZINC000918817648 1068519530 /nfs/dbraw/zinc/51/95/30/1068519530.db2.gz HXVAJONCXGVQMW-UHFFFAOYSA-N 0 0 484.534 0.867 20 30 JCEDRN O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCc2ccccc21 ZINC000918817710 1068519942 /nfs/dbraw/zinc/51/99/42/1068519942.db2.gz IUYPGJCWCXSGKV-UHFFFAOYSA-N 0 0 456.524 0.837 20 30 JCEDRN COC(=O)Nc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000918817711 1068519857 /nfs/dbraw/zinc/51/98/57/1068519857.db2.gz SDJVNDQSCJONQD-UHFFFAOYSA-N 0 0 460.468 0.874 20 30 JCEDRN CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000918817766 1068519973 /nfs/dbraw/zinc/51/99/73/1068519973.db2.gz SUMNBWZXOALSLN-UHFFFAOYSA-N 0 0 478.571 0.781 20 30 JCEDRN O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCCCCC1=O ZINC000918817897 1068519870 /nfs/dbraw/zinc/51/98/70/1068519870.db2.gz JUJCEBCOLCXYQN-UHFFFAOYSA-N 0 0 464.544 0.567 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)N3CCC[C@H](NC(C)=O)C3)n2c2ccccc2c1=O ZINC000918817932 1068519795 /nfs/dbraw/zinc/51/97/95/1068519795.db2.gz KNKXELVYXADCQB-INIZCTEOSA-N 0 0 498.565 0.993 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)N3CCC[C@@H](NC(C)=O)C3)n2c2ccccc2c1=O ZINC000918817937 1068519781 /nfs/dbraw/zinc/51/97/81/1068519781.db2.gz KNKXELVYXADCQB-MRXNPFEDSA-N 0 0 498.565 0.993 20 30 JCEDRN O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCC2(CC1)OCCO2 ZINC000918817992 1068520028 /nfs/dbraw/zinc/52/00/28/1068520028.db2.gz LLILBQOPNGPYKB-UHFFFAOYSA-N 0 0 451.501 0.460 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000918818040 1068519821 /nfs/dbraw/zinc/51/98/21/1068519821.db2.gz UTOIZCFGNIGHDO-UHFFFAOYSA-N 0 0 462.528 0.241 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000918818062 1068519804 /nfs/dbraw/zinc/51/98/04/1068519804.db2.gz VPQDZQCTQBAWEN-UHFFFAOYSA-N 0 0 498.561 0.659 20 30 JCEDRN Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n12 ZINC000918818085 1068519959 /nfs/dbraw/zinc/51/99/59/1068519959.db2.gz WNZOKAGNARGZNP-UHFFFAOYSA-N 0 0 466.479 0.783 20 30 JCEDRN Cn1c2nnc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n2c2ccsc2c1=O ZINC000918818092 1068520039 /nfs/dbraw/zinc/52/00/39/1068520039.db2.gz XDJVTVSVSJLFNO-UHFFFAOYSA-N 0 0 458.481 0.536 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCCN2CCCCCC2=O)cc1 ZINC000918818098 1068519893 /nfs/dbraw/zinc/51/98/93/1068519893.db2.gz XMBASSPWCYTXAS-UHFFFAOYSA-N 0 0 450.517 0.289 20 30 JCEDRN CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000918818105 1068519879 /nfs/dbraw/zinc/51/98/79/1068519879.db2.gz XPJZKHWXOKRUOJ-UHFFFAOYSA-N 0 0 464.544 0.485 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000918818138 1068520003 /nfs/dbraw/zinc/52/00/03/1068520003.db2.gz ZBASLGIMVQDTAT-UHFFFAOYSA-N 0 0 462.553 0.786 20 30 JCEDRN CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000918818229 1068520378 /nfs/dbraw/zinc/52/03/78/1068520378.db2.gz NQJLFZOLBYBJHC-UHFFFAOYSA-N 0 0 479.536 0.378 20 30 JCEDRN C[C@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 ZINC000918818261 1068520462 /nfs/dbraw/zinc/52/04/62/1068520462.db2.gz OIWGXLBKIOPFAL-AWEZNQCLSA-N 0 0 450.517 0.176 20 30 JCEDRN C[C@@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 ZINC000918818262 1068520425 /nfs/dbraw/zinc/52/04/25/1068520425.db2.gz OIWGXLBKIOPFAL-CQSZACIVSA-N 0 0 450.517 0.176 20 30 JCEDRN COC(=O)C1(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 ZINC000918818472 1068520449 /nfs/dbraw/zinc/52/04/49/1068520449.db2.gz QQMHRSWTIPWUPI-UHFFFAOYSA-N 0 0 451.501 0.651 20 30 JCEDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CCN=C1NS(=O)(=O)c3ccccc31)cc2=O ZINC000918818500 1068520537 /nfs/dbraw/zinc/52/05/37/1068520537.db2.gz RONHFTZDWVVWEJ-UHFFFAOYSA-N 0 0 473.467 0.784 20 30 JCEDRN O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc2c(c1)OCO2 ZINC000918818507 1068520489 /nfs/dbraw/zinc/52/04/89/1068520489.db2.gz RTJHPGMAGVAUBO-UHFFFAOYSA-N 0 0 475.479 0.582 20 30 JCEDRN Cn1c2nnc(COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n2c2ccsc2c1=O ZINC000918818518 1068520338 /nfs/dbraw/zinc/52/03/38/1068520338.db2.gz SADXSITWTUMRDT-UHFFFAOYSA-N 0 0 472.508 0.815 20 30 JCEDRN CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918818538 1068520292 /nfs/dbraw/zinc/52/02/92/1068520292.db2.gz SXDFWJYOPAYCNP-UHFFFAOYSA-N 0 0 478.571 0.764 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)n2c2ccccc2c1=O ZINC000918818596 1068520328 /nfs/dbraw/zinc/52/03/28/1068520328.db2.gz URPBQBXEIFFSTM-CYBMUJFWSA-N 0 0 472.527 0.458 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)n2c2ccccc2c1=O ZINC000918818597 1068520523 /nfs/dbraw/zinc/52/05/23/1068520523.db2.gz URPBQBXEIFFSTM-ZDUSSCGKSA-N 0 0 472.527 0.458 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000918818668 1068520410 /nfs/dbraw/zinc/52/04/10/1068520410.db2.gz AEXLOMPFRZSBAD-UHFFFAOYSA-N 0 0 451.501 0.414 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918818838 1068520474 /nfs/dbraw/zinc/52/04/74/1068520474.db2.gz DRHZCBVABRPLEU-UHFFFAOYSA-N 0 0 462.528 0.129 20 30 JCEDRN CNC(=O)[C@@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000918818966 1068520351 /nfs/dbraw/zinc/52/03/51/1068520351.db2.gz ZJDHTDCLHFHHBI-IBGZPJMESA-N 0 0 458.496 0.262 20 30 JCEDRN CNC(=O)[C@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000918818967 1068520283 /nfs/dbraw/zinc/52/02/83/1068520283.db2.gz ZJDHTDCLHFHHBI-LJQANCHMSA-N 0 0 458.496 0.262 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000918818968 1068520314 /nfs/dbraw/zinc/52/03/14/1068520314.db2.gz ZJMWFIQSOKVOEJ-UHFFFAOYSA-N 0 0 476.555 0.519 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000918819128 1068520438 /nfs/dbraw/zinc/52/04/38/1068520438.db2.gz KVEMUDDOGGNHMY-UHFFFAOYSA-N 0 0 490.582 0.910 20 30 JCEDRN C[C@H](NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 ZINC000918819307 1068521067 /nfs/dbraw/zinc/52/10/67/1068521067.db2.gz PDKPRMFHPURZDN-HNNXBMFYSA-N 0 0 464.544 0.566 20 30 JCEDRN C[C@@H](NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 ZINC000918819308 1068520991 /nfs/dbraw/zinc/52/09/91/1068520991.db2.gz PDKPRMFHPURZDN-OAHLLOKOSA-N 0 0 464.544 0.566 20 30 JCEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918819320 1068521056 /nfs/dbraw/zinc/52/10/56/1068521056.db2.gz PTHUQZOUWVXQNJ-HNNXBMFYSA-N 0 0 450.517 0.176 20 30 JCEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918819321 1068520902 /nfs/dbraw/zinc/52/09/02/1068520902.db2.gz PTHUQZOUWVXQNJ-OAHLLOKOSA-N 0 0 450.517 0.176 20 30 JCEDRN O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCC2(CC1)OCCO2 ZINC000918819479 1068521025 /nfs/dbraw/zinc/52/10/25/1068521025.db2.gz SRPAZGBYNUXVNN-UHFFFAOYSA-N 0 0 465.528 0.850 20 30 JCEDRN CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000918819505 1068520871 /nfs/dbraw/zinc/52/08/71/1068520871.db2.gz UKVNQJNZWBEECW-UHFFFAOYSA-N 0 0 493.563 0.768 20 30 JCEDRN CNC(=O)[C@@H](NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000918819548 1068521002 /nfs/dbraw/zinc/52/10/02/1068521002.db2.gz WBEMJFHPACGHCS-FQEVSTJZSA-N 0 0 472.523 0.652 20 30 JCEDRN CNC(=O)[C@H](NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000918819549 1068520965 /nfs/dbraw/zinc/52/09/65/1068520965.db2.gz WBEMJFHPACGHCS-HXUWFJFHSA-N 0 0 472.523 0.652 20 30 JCEDRN NS(=O)(=O)c1ccc(C(=O)COC(=O)CCCN=C2NS(=O)(=O)c3ccccc32)cc1 ZINC000918819601 1068521043 /nfs/dbraw/zinc/52/10/43/1068521043.db2.gz XNKFQZGEXWNLDN-UHFFFAOYSA-N 0 0 465.509 0.579 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000918819676 1068520917 /nfs/dbraw/zinc/52/09/17/1068520917.db2.gz ZHGVKWJZKUUJKI-UHFFFAOYSA-N 0 0 474.539 0.986 20 30 JCEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918822388 1068512612 /nfs/dbraw/zinc/51/26/12/1068512612.db2.gz CWIJKGRQMABIDQ-AEFFLSMTSA-N 0 0 478.571 0.810 20 30 JCEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918822393 1068512444 /nfs/dbraw/zinc/51/24/44/1068512444.db2.gz CWIJKGRQMABIDQ-SJLPKXTDSA-N 0 0 478.571 0.810 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000918823580 1068512871 /nfs/dbraw/zinc/51/28/71/1068512871.db2.gz IUKZYPMBKCLVSC-HIFRSBDPSA-N 0 0 452.533 0.276 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000918823588 1068512946 /nfs/dbraw/zinc/51/29/46/1068512946.db2.gz IUKZYPMBKCLVSC-ZFWWWQNUSA-N 0 0 452.533 0.276 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918823604 1068512922 /nfs/dbraw/zinc/51/29/22/1068512922.db2.gz JHLZDEYBVHKQSA-GOSISDBHSA-N 0 0 490.582 0.764 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918823605 1068512998 /nfs/dbraw/zinc/51/29/98/1068512998.db2.gz JHLZDEYBVHKQSA-SFHVURJKSA-N 0 0 490.582 0.764 20 30 JCEDRN CNC(=O)[C@@H](NC(=O)COC(=O)[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(C)C)c1ccccc1 ZINC000918824254 1068515087 /nfs/dbraw/zinc/51/50/87/1068515087.db2.gz ANJPQLUBOLDQSD-PMACEKPBSA-N 0 0 486.550 0.896 20 30 JCEDRN CNC(=O)[C@H](NC(=O)COC(=O)[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(C)C)c1ccccc1 ZINC000918824255 1068514958 /nfs/dbraw/zinc/51/49/58/1068514958.db2.gz ANJPQLUBOLDQSD-VQTJNVASSA-N 0 0 486.550 0.896 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000918824268 1068515588 /nfs/dbraw/zinc/51/55/88/1068515588.db2.gz AZNVEBUJAKTBMN-SFHVURJKSA-N 0 0 465.528 0.658 20 30 JCEDRN CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000918824582 1068523477 /nfs/dbraw/zinc/52/34/77/1068523477.db2.gz OZSUUZCYLDHWSS-JOCHJYFZSA-N 0 0 484.469 0.719 20 30 JCEDRN CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000918824585 1068523506 /nfs/dbraw/zinc/52/35/06/1068523506.db2.gz OZSUUZCYLDHWSS-QFIPXVFZSA-N 0 0 484.469 0.719 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000918824588 1068523311 /nfs/dbraw/zinc/52/33/11/1068523311.db2.gz PEOFYNKDCLOOGZ-HNNXBMFYSA-N 0 0 466.560 0.714 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000918824589 1068523496 /nfs/dbraw/zinc/52/34/96/1068523496.db2.gz PEOFYNKDCLOOGZ-OAHLLOKOSA-N 0 0 466.560 0.714 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918824916 1068523173 /nfs/dbraw/zinc/52/31/73/1068523173.db2.gz IXFGJASNQOYUMS-IBGZPJMESA-N 0 0 476.555 0.374 20 30 JCEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H](/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)C1 ZINC000918824950 1068523438 /nfs/dbraw/zinc/52/34/38/1068523438.db2.gz KWJKUBDETVOYJU-BEFAXECRSA-N 0 0 464.544 0.420 20 30 JCEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H](/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)C1 ZINC000918824951 1068523361 /nfs/dbraw/zinc/52/33/61/1068523361.db2.gz KWJKUBDETVOYJU-KXBFYZLASA-N 0 0 464.544 0.420 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000918824973 1068523276 /nfs/dbraw/zinc/52/32/76/1068523276.db2.gz MNKNCPSWUJCYHW-KRWDZBQOSA-N 0 0 452.533 0.324 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000918825384 1068523398 /nfs/dbraw/zinc/52/33/98/1068523398.db2.gz QZBZGBMSYYUPIG-BEFAXECRSA-N 0 0 478.571 0.810 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000918825385 1068523464 /nfs/dbraw/zinc/52/34/64/1068523464.db2.gz QZBZGBMSYYUPIG-KXBFYZLASA-N 0 0 478.571 0.810 20 30 JCEDRN CC(C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000918825459 1068523986 /nfs/dbraw/zinc/52/39/86/1068523986.db2.gz XRPOOLNOYBPTIF-SFHVURJKSA-N 0 0 479.536 0.823 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000918835391 1068521352 /nfs/dbraw/zinc/52/13/52/1068521352.db2.gz PJJKDZITWZTBCZ-HNNXBMFYSA-N 0 0 453.517 0.881 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000918835392 1068521606 /nfs/dbraw/zinc/52/16/06/1068521606.db2.gz PJJKDZITWZTBCZ-OAHLLOKOSA-N 0 0 453.517 0.881 20 30 JCEDRN Cc1cccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C ZINC000918863893 1068528564 /nfs/dbraw/zinc/52/85/64/1068528564.db2.gz JBJZQHITKOXZTM-UHFFFAOYSA-N 0 0 452.471 0.541 20 30 JCEDRN Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n12 ZINC000918872058 1068530480 /nfs/dbraw/zinc/53/04/80/1068530480.db2.gz BNVZIUFXIUKMPV-UHFFFAOYSA-N 0 0 466.479 0.672 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000918872074 1068530457 /nfs/dbraw/zinc/53/04/57/1068530457.db2.gz BZVBXCJIWPWFRM-UHFFFAOYSA-N 0 0 484.534 0.689 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCCC2=O)cc1 ZINC000918872085 1068530287 /nfs/dbraw/zinc/53/02/87/1068530287.db2.gz CPOJNYZWOCDNTE-UHFFFAOYSA-N 0 0 470.507 0.712 20 30 JCEDRN Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918872098 1068530369 /nfs/dbraw/zinc/53/03/69/1068530369.db2.gz DUKUVAUWMYJVTI-UHFFFAOYSA-N 0 0 498.561 0.998 20 30 JCEDRN CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918872116 1068530336 /nfs/dbraw/zinc/53/03/36/1068530336.db2.gz FQYSDAWIIUIJGC-UHFFFAOYSA-N 0 0 464.544 0.374 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)NC2CC2)c1 ZINC000918872380 1068531020 /nfs/dbraw/zinc/53/10/20/1068531020.db2.gz KQUKOLWDUOADAU-UHFFFAOYSA-N 0 0 470.507 0.477 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000918872396 1068531078 /nfs/dbraw/zinc/53/10/78/1068531078.db2.gz LKAUHHNKQPDUBF-UHFFFAOYSA-N 0 0 462.553 0.674 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000918872400 1068531104 /nfs/dbraw/zinc/53/11/04/1068531104.db2.gz LPQVSCFBURXXRI-UHFFFAOYSA-N 0 0 490.582 0.956 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc2c(c1)OCO2 ZINC000918872411 1068530746 /nfs/dbraw/zinc/53/07/46/1068530746.db2.gz MCPOPZVQYUZAFS-UHFFFAOYSA-N 0 0 461.452 0.192 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000918872415 1068530889 /nfs/dbraw/zinc/53/08/89/1068530889.db2.gz MPDTWZBTEVKSPU-UHFFFAOYSA-N 0 0 462.528 0.129 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000918872433 1068530831 /nfs/dbraw/zinc/53/08/31/1068530831.db2.gz NGEHLUYXWYKPQW-UHFFFAOYSA-N 0 0 490.582 0.910 20 30 JCEDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CN=C1NS(=O)(=O)c3ccccc31)cc2=O ZINC000918872749 1068531151 /nfs/dbraw/zinc/53/11/51/1068531151.db2.gz OPHBWETYAKMNNK-UHFFFAOYSA-N 0 0 459.440 0.394 20 30 JCEDRN CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000918872776 1068530972 /nfs/dbraw/zinc/53/09/72/1068530972.db2.gz QSTZQKZFKZTCLG-UHFFFAOYSA-N 0 0 478.571 0.669 20 30 JCEDRN Cn1c2nnc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n2c2ccsc2c1=O ZINC000918872777 1068530914 /nfs/dbraw/zinc/53/09/14/1068530914.db2.gz QXJVFMDZMBXQOE-UHFFFAOYSA-N 0 0 458.481 0.425 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CCCC1=O ZINC000918872791 1068531127 /nfs/dbraw/zinc/53/11/27/1068531127.db2.gz RSNNYDGNEVFGIP-UHFFFAOYSA-N 0 0 484.534 0.707 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCCCCC1=O ZINC000918872795 1068530774 /nfs/dbraw/zinc/53/07/74/1068530774.db2.gz RXOLQQWXEGOTAI-UHFFFAOYSA-N 0 0 450.517 0.177 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918872805 1068531058 /nfs/dbraw/zinc/53/10/58/1068531058.db2.gz SIRMMVQLMQQFJY-UHFFFAOYSA-N 0 0 490.513 0.560 20 30 JCEDRN C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000918872807 1068531209 /nfs/dbraw/zinc/53/12/09/1068531209.db2.gz SKXYVUHBXFIOSV-INIZCTEOSA-N 0 0 490.582 0.765 20 30 JCEDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000918872808 1068531192 /nfs/dbraw/zinc/53/11/92/1068531192.db2.gz SKXYVUHBXFIOSV-MRXNPFEDSA-N 0 0 490.582 0.765 20 30 JCEDRN COC(=O)Nc1ccc(CNC(=O)COC(=O)CN=C2NS(=O)(=O)c3ccccc32)cc1 ZINC000918872822 1068530995 /nfs/dbraw/zinc/53/09/95/1068530995.db2.gz UJUIJYAYTVZQIP-UHFFFAOYSA-N 0 0 460.468 0.763 20 30 JCEDRN COc1cc(OC)c(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 ZINC000918873096 1068530857 /nfs/dbraw/zinc/53/08/57/1068530857.db2.gz VPZLNUDCZFVOFO-UHFFFAOYSA-N 0 0 477.495 0.611 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000918873193 1068530948 /nfs/dbraw/zinc/53/09/48/1068530948.db2.gz ZORGIDRALIGHQQ-INIZCTEOSA-N 0 0 456.524 0.911 20 30 JCEDRN O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN(c2ccccc2)C1 ZINC000918873194 1068531174 /nfs/dbraw/zinc/53/11/74/1068531174.db2.gz ZORGIDRALIGHQQ-MRXNPFEDSA-N 0 0 456.524 0.911 20 30 JCEDRN C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000918875199 1068532309 /nfs/dbraw/zinc/53/23/09/1068532309.db2.gz LFZXCOVYFPFZOP-HSZRJFAPSA-N 0 0 496.480 0.719 20 30 JCEDRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000918875201 1068532228 /nfs/dbraw/zinc/53/22/28/1068532228.db2.gz LFZXCOVYFPFZOP-QHCPKHFHSA-N 0 0 496.480 0.719 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000918886453 1068534260 /nfs/dbraw/zinc/53/42/60/1068534260.db2.gz GOXXCBKPTXHTLA-UHFFFAOYSA-N 0 0 450.517 0.458 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000918887196 1068534239 /nfs/dbraw/zinc/53/42/39/1068534239.db2.gz PYDXVQZEBHUYIM-INIZCTEOSA-N 0 0 464.544 0.704 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000918887203 1068534608 /nfs/dbraw/zinc/53/46/08/1068534608.db2.gz PYDXVQZEBHUYIM-MRXNPFEDSA-N 0 0 464.544 0.704 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000918896640 1068533717 /nfs/dbraw/zinc/53/37/17/1068533717.db2.gz NNXLLSIXVWFHQD-UHFFFAOYSA-N 0 0 450.517 0.458 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000918896675 1068536724 /nfs/dbraw/zinc/53/67/24/1068536724.db2.gz PZPMKACBBWIYID-INIZCTEOSA-N 0 0 464.544 0.704 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000918896676 1068536897 /nfs/dbraw/zinc/53/68/97/1068536897.db2.gz PZPMKACBBWIYID-MRXNPFEDSA-N 0 0 464.544 0.704 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000918898496 1068536827 /nfs/dbraw/zinc/53/68/27/1068536827.db2.gz VEAMXDPSRWXUSG-HNNXBMFYSA-N 0 0 453.517 0.881 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000918898498 1068536794 /nfs/dbraw/zinc/53/67/94/1068536794.db2.gz VEAMXDPSRWXUSG-OAHLLOKOSA-N 0 0 453.517 0.881 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000918910339 1068538875 /nfs/dbraw/zinc/53/88/75/1068538875.db2.gz DJVHNSQRGVNESS-UHFFFAOYSA-N 0 0 488.566 0.583 20 30 JCEDRN C[C@H](NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000918911360 1068539224 /nfs/dbraw/zinc/53/92/24/1068539224.db2.gz SYHXNGOTXVNSAG-AWEZNQCLSA-N 0 0 450.517 0.095 20 30 JCEDRN C[C@@H](NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000918911361 1068539000 /nfs/dbraw/zinc/53/90/00/1068539000.db2.gz SYHXNGOTXVNSAG-CQSZACIVSA-N 0 0 450.517 0.095 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC4(CC3)OCCO4)CC2)cc1 ZINC000918912899 1068539620 /nfs/dbraw/zinc/53/96/20/1068539620.db2.gz GLJUIDRCVKMJIE-UHFFFAOYSA-N 0 0 477.539 0.868 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCCn3cccn3)CC2)cc1 ZINC000918913074 1068539557 /nfs/dbraw/zinc/53/95/57/1068539557.db2.gz KXXOOPPVPOFYRP-UHFFFAOYSA-N 0 0 459.528 0.905 20 30 JCEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000918913716 1068539674 /nfs/dbraw/zinc/53/96/74/1068539674.db2.gz RYWRYVAFIBYXCA-IBGZPJMESA-N 0 0 476.555 0.629 20 30 JCEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000918913726 1068539534 /nfs/dbraw/zinc/53/95/34/1068539534.db2.gz RYWRYVAFIBYXCA-LJQANCHMSA-N 0 0 476.555 0.629 20 30 JCEDRN CN(Cc1cnn(C)c1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000918913728 1068539497 /nfs/dbraw/zinc/53/94/97/1068539497.db2.gz SAVLSIQGLHTFCW-UHFFFAOYSA-N 0 0 459.528 0.894 20 30 JCEDRN CC(C)(C)NC(=O)CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000918913760 1068540105 /nfs/dbraw/zinc/54/01/05/1068540105.db2.gz SMRNWRAMLISTML-UHFFFAOYSA-N 0 0 464.544 0.533 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000918913997 1068540274 /nfs/dbraw/zinc/54/02/74/1068540274.db2.gz ZVWUEQBQZQKYPL-AWEZNQCLSA-N 0 0 456.459 0.789 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000918913998 1068540350 /nfs/dbraw/zinc/54/03/50/1068540350.db2.gz ZVWUEQBQZQKYPL-CQSZACIVSA-N 0 0 456.459 0.789 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000918916140 1068540785 /nfs/dbraw/zinc/54/07/85/1068540785.db2.gz XDEAHSLJAXOZCA-HNNXBMFYSA-N 0 0 450.517 0.643 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000918916141 1068540620 /nfs/dbraw/zinc/54/06/20/1068540620.db2.gz XDEAHSLJAXOZCA-OAHLLOKOSA-N 0 0 450.517 0.643 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CC2)o1 ZINC000918919190 1068543020 /nfs/dbraw/zinc/54/30/20/1068543020.db2.gz GFGVYLYFABZCIM-UHFFFAOYSA-N 0 0 466.454 0.552 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000918919662 1068543499 /nfs/dbraw/zinc/54/34/99/1068543499.db2.gz QPVUNUQEMSPRHC-UHFFFAOYSA-N 0 0 489.448 0.803 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918930090 1068541752 /nfs/dbraw/zinc/54/17/52/1068541752.db2.gz GYFDJADWSWCIDP-GOSISDBHSA-N 0 0 490.582 0.908 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918930091 1068541699 /nfs/dbraw/zinc/54/16/99/1068541699.db2.gz GYFDJADWSWCIDP-SFHVURJKSA-N 0 0 490.582 0.908 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000918930181 1068541923 /nfs/dbraw/zinc/54/19/23/1068541923.db2.gz KBNIMEPRGMFIAF-HIFRSBDPSA-N 0 0 452.533 0.420 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000918930182 1068541899 /nfs/dbraw/zinc/54/18/99/1068541899.db2.gz KBNIMEPRGMFIAF-ZFWWWQNUSA-N 0 0 452.533 0.420 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000918930616 1068541742 /nfs/dbraw/zinc/54/17/42/1068541742.db2.gz KZPSZAYGVLQPTM-UHFFFAOYSA-N 0 0 491.526 0.670 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000918930726 1068541776 /nfs/dbraw/zinc/54/17/76/1068541776.db2.gz XXDQYJUBBVZISL-AEFFLSMTSA-N 0 0 478.571 0.954 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000918930727 1068541722 /nfs/dbraw/zinc/54/17/22/1068541722.db2.gz XXDQYJUBBVZISL-WMZOPIPTSA-N 0 0 478.571 0.954 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000918950160 1068544854 /nfs/dbraw/zinc/54/48/54/1068544854.db2.gz BCHRVYXFBNDYNM-UHFFFAOYSA-N 0 0 491.570 0.832 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000918973284 1068560400 /nfs/dbraw/zinc/56/04/00/1068560400.db2.gz JAWFQIMFCATDJL-UHFFFAOYSA-N 0 0 496.480 0.863 20 30 JCEDRN Cc1cccc(N(CCC#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C ZINC000918974238 1068561050 /nfs/dbraw/zinc/56/10/50/1068561050.db2.gz RVVGJAQRRUIOLG-UHFFFAOYSA-N 0 0 452.471 0.541 20 30 JCEDRN C[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCCCC1 ZINC000918985853 1068555455 /nfs/dbraw/zinc/55/54/55/1068555455.db2.gz AZLGNFXITOLRCB-HNNXBMFYSA-N 0 0 450.517 0.553 20 30 JCEDRN C[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCCCC1 ZINC000918985854 1068555467 /nfs/dbraw/zinc/55/54/67/1068555467.db2.gz AZLGNFXITOLRCB-OAHLLOKOSA-N 0 0 450.517 0.553 20 30 JCEDRN CS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 ZINC000918985870 1068555388 /nfs/dbraw/zinc/55/53/88/1068555388.db2.gz BRTAQWOCVVIMPH-UHFFFAOYSA-N 0 0 479.536 0.755 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000918986147 1068555428 /nfs/dbraw/zinc/55/54/28/1068555428.db2.gz GNUDOSNAHDYYTA-UHFFFAOYSA-N 0 0 476.555 0.896 20 30 JCEDRN CNC(=O)[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 ZINC000918986478 1068555276 /nfs/dbraw/zinc/55/52/76/1068555276.db2.gz MYSPAVMWFWPPIN-IBGZPJMESA-N 0 0 458.496 0.639 20 30 JCEDRN CNC(=O)[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 ZINC000918986479 1068555355 /nfs/dbraw/zinc/55/53/55/1068555355.db2.gz MYSPAVMWFWPPIN-LJQANCHMSA-N 0 0 458.496 0.639 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC000918986490 1068555320 /nfs/dbraw/zinc/55/53/20/1068555320.db2.gz NGZMPJVCJQZVPX-UHFFFAOYSA-N 0 0 460.512 0.973 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCC3(CC2)OCCO3)cc1 ZINC000918987067 1068561429 /nfs/dbraw/zinc/56/14/29/1068561429.db2.gz VXLWQKQBQUADKQ-UHFFFAOYSA-N 0 0 451.501 0.837 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918987807 1068565442 /nfs/dbraw/zinc/56/54/42/1068565442.db2.gz JOLGLGGHHZJGNK-UHFFFAOYSA-N 0 0 490.582 0.910 20 30 JCEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918988736 1068565244 /nfs/dbraw/zinc/56/52/44/1068565244.db2.gz SQVJJAGCGKSEDZ-KRWDZBQOSA-N 0 0 478.571 0.956 20 30 JCEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918988737 1068565221 /nfs/dbraw/zinc/56/52/21/1068565221.db2.gz SQVJJAGCGKSEDZ-QGZVFWFLSA-N 0 0 478.571 0.956 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000918989561 1068565819 /nfs/dbraw/zinc/56/58/19/1068565819.db2.gz WCWROTGTQVRHJC-UHFFFAOYSA-N 0 0 494.570 0.463 20 30 JCEDRN CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000918989659 1068565808 /nfs/dbraw/zinc/56/58/08/1068565808.db2.gz YJOUVTSSHWEKBO-HNNXBMFYSA-N 0 0 477.499 0.422 20 30 JCEDRN CC1(C)NC(=O)N(CCC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000918997950 1068562518 /nfs/dbraw/zinc/56/25/18/1068562518.db2.gz OMMSXMJABRGKHZ-UHFFFAOYSA-N 0 0 484.469 0.719 20 30 JCEDRN CN1CC(=O)N(CCCC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000919006151 1068564157 /nfs/dbraw/zinc/56/41/57/1068564157.db2.gz BHVSWTHBIDPGGS-UHFFFAOYSA-N 0 0 484.469 0.672 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000919013232 1068570044 /nfs/dbraw/zinc/57/00/44/1068570044.db2.gz CCXLPAXXTHYGOV-HSZRJFAPSA-N 0 0 456.499 0.726 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000919013234 1068570430 /nfs/dbraw/zinc/57/04/30/1068570430.db2.gz CCXLPAXXTHYGOV-QHCPKHFHSA-N 0 0 456.499 0.726 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000919014025 1068570628 /nfs/dbraw/zinc/57/06/28/1068570628.db2.gz MTNVFKZDYJWDFO-RUZDIDTESA-N 0 0 480.521 0.776 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000919014028 1068570489 /nfs/dbraw/zinc/57/04/89/1068570489.db2.gz MTNVFKZDYJWDFO-VWLOTQADSA-N 0 0 480.521 0.776 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000919014080 1068570506 /nfs/dbraw/zinc/57/05/06/1068570506.db2.gz NSEHVZUMFDLLOJ-JOCHJYFZSA-N 0 0 492.554 0.092 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000919014082 1068570460 /nfs/dbraw/zinc/57/04/60/1068570460.db2.gz NSEHVZUMFDLLOJ-QFIPXVFZSA-N 0 0 492.554 0.092 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000919016875 1068571519 /nfs/dbraw/zinc/57/15/19/1068571519.db2.gz UJFFHWUDROHYFA-BXKMTCNYSA-N 0 0 468.510 0.822 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000919016876 1068571384 /nfs/dbraw/zinc/57/13/84/1068571384.db2.gz UJFFHWUDROHYFA-MZNJEOGPSA-N 0 0 468.510 0.822 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000919016877 1068571410 /nfs/dbraw/zinc/57/14/10/1068571410.db2.gz UJFFHWUDROHYFA-OSPHWJPCSA-N 0 0 468.510 0.822 20 30 JCEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000919016878 1068571296 /nfs/dbraw/zinc/57/12/96/1068571296.db2.gz UJFFHWUDROHYFA-XDHUDOTRSA-N 0 0 468.510 0.822 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000919019642 1068572501 /nfs/dbraw/zinc/57/25/01/1068572501.db2.gz BLMYSXONPOUEBU-AWEZNQCLSA-N 0 0 460.468 0.946 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC000919019644 1068572468 /nfs/dbraw/zinc/57/24/68/1068572468.db2.gz BLMYSXONPOUEBU-CQSZACIVSA-N 0 0 460.468 0.946 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000919019907 1068572382 /nfs/dbraw/zinc/57/23/82/1068572382.db2.gz CGAOPAPTHNSHGH-UHFFFAOYSA-N 0 0 464.521 0.475 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000919020251 1068572841 /nfs/dbraw/zinc/57/28/41/1068572841.db2.gz HFHRKYVVLHLSQE-UHFFFAOYSA-N 0 0 461.540 0.616 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1 ZINC000919020461 1068572904 /nfs/dbraw/zinc/57/29/04/1068572904.db2.gz HPAJGQWWNMLXHI-UHFFFAOYSA-N 0 0 469.519 0.964 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)c1 ZINC000919020612 1068572934 /nfs/dbraw/zinc/57/29/34/1068572934.db2.gz MWYMIEHZLXAMTD-UHFFFAOYSA-N 0 0 460.464 0.679 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC000919020714 1068572888 /nfs/dbraw/zinc/57/28/88/1068572888.db2.gz OHNLLHWDEVPOIT-UHFFFAOYSA-N 0 0 463.556 0.860 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)c1 ZINC000919021238 1068572962 /nfs/dbraw/zinc/57/29/62/1068572962.db2.gz YILOVYXNJBMFMV-UHFFFAOYSA-N 0 0 458.452 0.880 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnc3n2c2ccsc2c(=O)n3C)c1 ZINC000919021307 1068572871 /nfs/dbraw/zinc/57/28/71/1068572871.db2.gz ZXNUOSYMTGMARF-UHFFFAOYSA-N 0 0 457.493 0.911 20 30 JCEDRN Cc1cccc(N(CCC#N)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C ZINC000919025352 1068567854 /nfs/dbraw/zinc/56/78/54/1068567854.db2.gz TUZGMSKEAKAJKH-UHFFFAOYSA-N 0 0 466.498 0.931 20 30 JCEDRN Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)n12 ZINC000919033789 1068577037 /nfs/dbraw/zinc/57/70/37/1068577037.db2.gz BRHPGZCLKZGKBX-UHFFFAOYSA-N 0 0 466.479 0.783 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000919033889 1068577114 /nfs/dbraw/zinc/57/71/14/1068577114.db2.gz GCOWTYTYYHUUFM-UHFFFAOYSA-N 0 0 484.534 0.801 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCCN1CCCCCC1=O ZINC000919033903 1068576949 /nfs/dbraw/zinc/57/69/49/1068576949.db2.gz GHOIFZUTZJACHS-UHFFFAOYSA-N 0 0 450.517 0.289 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000919033953 1068577187 /nfs/dbraw/zinc/57/71/87/1068577187.db2.gz HJGIGIPHODAHNC-UHFFFAOYSA-N 0 0 470.507 0.823 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919033993 1068576983 /nfs/dbraw/zinc/57/69/83/1068576983.db2.gz IJXUPDNVBZOJLO-UHFFFAOYSA-N 0 0 490.513 0.672 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000919034096 1068577023 /nfs/dbraw/zinc/57/70/23/1068577023.db2.gz KZKYQLJVVJMKMD-UHFFFAOYSA-N 0 0 461.452 0.304 20 30 JCEDRN CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000919034248 1068576992 /nfs/dbraw/zinc/57/69/92/1068576992.db2.gz OGUAPNCMMLMGEU-UHFFFAOYSA-N 0 0 465.509 0.100 20 30 JCEDRN COC(=O)Nc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000919034321 1068577074 /nfs/dbraw/zinc/57/70/74/1068577074.db2.gz PIYVIWZLVSNEPL-UHFFFAOYSA-N 0 0 460.468 0.874 20 30 JCEDRN Cn1c2nnc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)n2c2ccsc2c1=O ZINC000919034402 1068577140 /nfs/dbraw/zinc/57/71/40/1068577140.db2.gz QYEDABOZAMPVNX-UHFFFAOYSA-N 0 0 458.481 0.536 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000919034438 1068577047 /nfs/dbraw/zinc/57/70/47/1068577047.db2.gz RSPXURLJGUCPKZ-UHFFFAOYSA-N 0 0 462.553 0.786 20 30 JCEDRN CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000919034458 1068577159 /nfs/dbraw/zinc/57/71/59/1068577159.db2.gz SEIRNBKWQZWFBS-UHFFFAOYSA-N 0 0 478.571 0.781 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000919034468 1068577129 /nfs/dbraw/zinc/57/71/29/1068577129.db2.gz SNCJWVVWXXAMNF-UHFFFAOYSA-N 0 0 462.528 0.241 20 30 JCEDRN CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000919034589 1068577449 /nfs/dbraw/zinc/57/74/49/1068577449.db2.gz VXNCVTOOZBBMHQ-UHFFFAOYSA-N 0 0 464.544 0.485 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000919034599 1068577515 /nfs/dbraw/zinc/57/75/15/1068577515.db2.gz WFRBSESUKTWSRY-UHFFFAOYSA-N 0 0 470.507 0.588 20 30 JCEDRN C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000919034601 1068577526 /nfs/dbraw/zinc/57/75/26/1068577526.db2.gz WGMOFPKULBFFIW-KRWDZBQOSA-N 0 0 490.582 0.877 20 30 JCEDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000919034602 1068577535 /nfs/dbraw/zinc/57/75/35/1068577535.db2.gz WGMOFPKULBFFIW-QGZVFWFLSA-N 0 0 490.582 0.877 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccccc1CN1CCCC1=O ZINC000919034661 1068577568 /nfs/dbraw/zinc/57/75/68/1068577568.db2.gz XVYYTUFQSOKZSY-UHFFFAOYSA-N 0 0 484.534 0.819 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000919035631 1068577580 /nfs/dbraw/zinc/57/75/80/1068577580.db2.gz QGPUHMIPBQFBGU-INIZCTEOSA-N 0 0 466.560 0.938 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000919035636 1068577479 /nfs/dbraw/zinc/57/74/79/1068577479.db2.gz QGPUHMIPBQFBGU-MRXNPFEDSA-N 0 0 466.560 0.938 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000919036318 1068578091 /nfs/dbraw/zinc/57/80/91/1068578091.db2.gz ZRPBKMDTQJVWBR-UHFFFAOYSA-N 0 0 452.533 0.692 20 30 JCEDRN Cn1cc(/C=C/C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O ZINC000919046067 1068579107 /nfs/dbraw/zinc/57/91/07/1068579107.db2.gz NLMTUKLQFWTHPU-AATRIKPKSA-N 0 0 494.464 0.109 20 30 JCEDRN Cn1cc(/C=C\C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O ZINC000919046383 1068579204 /nfs/dbraw/zinc/57/92/04/1068579204.db2.gz NLMTUKLQFWTHPU-WAYWQWQTSA-N 0 0 494.464 0.109 20 30 JCEDRN Cn1ncc2c1ncn(CC(=O)OCC(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)c2=O ZINC000919046769 1068579184 /nfs/dbraw/zinc/57/91/84/1068579184.db2.gz SIASDWYYHDYSKX-UHFFFAOYSA-N 0 0 492.452 0.142 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000919048265 1068579679 /nfs/dbraw/zinc/57/96/79/1068579679.db2.gz DWVPRJIPLFSRKJ-UHFFFAOYSA-N 0 0 469.519 0.964 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000919048396 1068579795 /nfs/dbraw/zinc/57/97/95/1068579795.db2.gz GNQHCQNJYYRERS-UHFFFAOYSA-N 0 0 461.540 0.616 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)cc1 ZINC000919048453 1068579861 /nfs/dbraw/zinc/57/98/61/1068579861.db2.gz JHZXKQWVSPOKKD-UHFFFAOYSA-N 0 0 460.464 0.679 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC000919048511 1068580188 /nfs/dbraw/zinc/58/01/88/1068580188.db2.gz MKVPRIUZJOGSMI-UHFFFAOYSA-N 0 0 463.556 0.860 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000919048535 1068580066 /nfs/dbraw/zinc/58/00/66/1068580066.db2.gz NDGYRLSTHTXCGT-UHFFFAOYSA-N 0 0 475.508 0.334 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000919048548 1068580308 /nfs/dbraw/zinc/58/03/08/1068580308.db2.gz NVNDRZXYSXYZAB-UHFFFAOYSA-N 0 0 464.521 0.475 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)cc1 ZINC000919048828 1068580088 /nfs/dbraw/zinc/58/00/88/1068580088.db2.gz SPXLDENIHXKKSM-UHFFFAOYSA-N 0 0 458.452 0.880 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnc3n2c2ccsc2c(=O)n3C)cc1 ZINC000919048922 1068580098 /nfs/dbraw/zinc/58/00/98/1068580098.db2.gz YTNVUCDPJJJHGF-UHFFFAOYSA-N 0 0 457.493 0.911 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000919051009 1068580656 /nfs/dbraw/zinc/58/06/56/1068580656.db2.gz MQTLWYKLPQJSOP-CABCVRRESA-N 0 0 452.533 0.607 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000919051010 1068580706 /nfs/dbraw/zinc/58/07/06/1068580706.db2.gz MQTLWYKLPQJSOP-GJZGRUSLSA-N 0 0 452.533 0.607 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000919051011 1068580715 /nfs/dbraw/zinc/58/07/15/1068580715.db2.gz MQTLWYKLPQJSOP-HUUCEWRRSA-N 0 0 452.533 0.607 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000919051012 1068580722 /nfs/dbraw/zinc/58/07/22/1068580722.db2.gz MQTLWYKLPQJSOP-LSDHHAIUSA-N 0 0 452.533 0.607 20 30 JCEDRN COCCN1C[C@@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O ZINC000919073962 1068591197 /nfs/dbraw/zinc/59/11/97/1068591197.db2.gz IRTNUALJJJWCPX-HNNXBMFYSA-N 0 0 471.470 0.493 20 30 JCEDRN COCCN1C[C@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O ZINC000919073967 1068591248 /nfs/dbraw/zinc/59/12/48/1068591248.db2.gz IRTNUALJJJWCPX-OAHLLOKOSA-N 0 0 471.470 0.493 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)ccc1F ZINC000919074390 1068591878 /nfs/dbraw/zinc/59/18/78/1068591878.db2.gz CUOXNFOSBVPWMS-UHFFFAOYSA-N 0 0 453.492 0.528 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)ccc1F ZINC000919074946 1068591732 /nfs/dbraw/zinc/59/17/32/1068591732.db2.gz IIOZCMLKDKFGFV-AWEZNQCLSA-N 0 0 455.508 0.964 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)ccc1F ZINC000919074947 1068591986 /nfs/dbraw/zinc/59/19/86/1068591986.db2.gz IIOZCMLKDKFGFV-CQSZACIVSA-N 0 0 455.508 0.964 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000919075189 1068591973 /nfs/dbraw/zinc/59/19/73/1068591973.db2.gz NVJBECLDDSGOIU-UHFFFAOYSA-N 0 0 456.473 0.977 20 30 JCEDRN CN(CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ncccn1 ZINC000919086164 1068601037 /nfs/dbraw/zinc/60/10/37/1068601037.db2.gz VJHGOMADCYQZMV-UHFFFAOYSA-N 0 0 451.443 0.924 20 30 JCEDRN CN(CCCNC(=O)COC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(C)(=O)=O ZINC000919089106 1068601882 /nfs/dbraw/zinc/60/18/82/1068601882.db2.gz ZFAFBAACFSYZDW-UHFFFAOYSA-N 0 0 493.542 0.964 20 30 JCEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000919098952 1068599835 /nfs/dbraw/zinc/59/98/35/1068599835.db2.gz VJXHJOGCUDFXPZ-UHFFFAOYSA-N 0 0 450.521 0.091 20 30 JCEDRN CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(Cl)nn1 ZINC000919113211 1068605196 /nfs/dbraw/zinc/60/51/96/1068605196.db2.gz ZIDVKTLFHZZYOR-UHFFFAOYSA-N 0 0 492.945 0.514 20 30 JCEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)c1C#N ZINC000919128976 1068616798 /nfs/dbraw/zinc/61/67/98/1068616798.db2.gz NNVOBUCKNLHVAK-UHFFFAOYSA-N 0 0 474.499 0.812 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2)o1 ZINC000919132343 1068609079 /nfs/dbraw/zinc/60/90/79/1068609079.db2.gz WVSVNUGUPCIPCK-KRWDZBQOSA-N 0 0 458.519 0.974 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2)o1 ZINC000919132344 1068609026 /nfs/dbraw/zinc/60/90/26/1068609026.db2.gz WVSVNUGUPCIPCK-QGZVFWFLSA-N 0 0 458.519 0.974 20 30 JCEDRN Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 ZINC000919132520 1068609040 /nfs/dbraw/zinc/60/90/40/1068609040.db2.gz UOIUEQFTGHHXQY-UHFFFAOYSA-N 0 0 458.418 0.428 20 30 JCEDRN CNc1nc(C)ccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919138139 1068614497 /nfs/dbraw/zinc/61/44/97/1068614497.db2.gz VLFOLEZJGHBFCW-UHFFFAOYSA-N 0 0 457.512 0.993 20 30 JCEDRN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CN1CCS(=O)(=O)CC1)CCCC2 ZINC000919141605 1068615199 /nfs/dbraw/zinc/61/51/99/1068615199.db2.gz CFMANHQRWINASX-INIZCTEOSA-N 0 0 478.571 0.630 20 30 JCEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CN1CCS(=O)(=O)CC1)CCCC2 ZINC000919141606 1068615335 /nfs/dbraw/zinc/61/53/35/1068615335.db2.gz CFMANHQRWINASX-MRXNPFEDSA-N 0 0 478.571 0.630 20 30 JCEDRN CCN1CCN(CC(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C(=O)C1=O ZINC000919146541 1068622050 /nfs/dbraw/zinc/62/20/50/1068622050.db2.gz XZAFBOBISIJDSU-UHFFFAOYSA-N 0 0 455.471 0.790 20 30 JCEDRN CCN1CCN(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C(=O)C1=O ZINC000919147404 1068623417 /nfs/dbraw/zinc/62/34/17/1068623417.db2.gz NBHKSMHWHCUMEV-INIZCTEOSA-N 0 0 485.541 0.590 20 30 JCEDRN CCN1CCN(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C(=O)C1=O ZINC000919147411 1068623363 /nfs/dbraw/zinc/62/33/63/1068623363.db2.gz NBHKSMHWHCUMEV-MRXNPFEDSA-N 0 0 485.541 0.590 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cc2nc3ncccn3n2)CC1 ZINC000919150467 1068625317 /nfs/dbraw/zinc/62/53/17/1068625317.db2.gz ZRKZVVXOJJBKEO-UHFFFAOYSA-N 0 0 462.426 0.678 20 30 JCEDRN COCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000919154560 1068619340 /nfs/dbraw/zinc/61/93/40/1068619340.db2.gz NPNKQOSOGHDFKV-UHFFFAOYSA-N 0 0 466.472 0.059 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCCN2C(=O)CCC2=O)CC1 ZINC000919155773 1068619325 /nfs/dbraw/zinc/61/93/25/1068619325.db2.gz HKZOIMWJTNVJCE-UHFFFAOYSA-N 0 0 469.454 0.927 20 30 JCEDRN COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919171016 1068626389 /nfs/dbraw/zinc/62/63/89/1068626389.db2.gz QDHAVRYTVSEKKQ-GOSISDBHSA-N 0 0 479.555 0.600 20 30 JCEDRN COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000919171017 1068626369 /nfs/dbraw/zinc/62/63/69/1068626369.db2.gz QDHAVRYTVSEKKQ-SFHVURJKSA-N 0 0 479.555 0.600 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)o1 ZINC000919181899 1068630539 /nfs/dbraw/zinc/63/05/39/1068630539.db2.gz NTULUHOLNAONOZ-FXAWDEMLSA-N 0 0 499.499 0.390 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)o1 ZINC000919181900 1068630502 /nfs/dbraw/zinc/63/05/02/1068630502.db2.gz NTULUHOLNAONOZ-PXNSSMCTSA-N 0 0 499.499 0.390 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)o1 ZINC000919181901 1068630526 /nfs/dbraw/zinc/63/05/26/1068630526.db2.gz NTULUHOLNAONOZ-XLIONFOSSA-N 0 0 499.499 0.390 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)o1 ZINC000919181902 1068630555 /nfs/dbraw/zinc/63/05/55/1068630555.db2.gz NTULUHOLNAONOZ-YLJYHZDGSA-N 0 0 499.499 0.390 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000919206626 1068633795 /nfs/dbraw/zinc/63/37/95/1068633795.db2.gz DSFIEXDMWCLSKR-LLVKDONJSA-N 0 0 490.332 0.746 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000919206627 1068633749 /nfs/dbraw/zinc/63/37/49/1068633749.db2.gz DSFIEXDMWCLSKR-NSHDSACASA-N 0 0 490.332 0.746 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000919206864 1068633801 /nfs/dbraw/zinc/63/38/01/1068633801.db2.gz JBRVOVCUGJYYCN-UHFFFAOYSA-N 0 0 476.305 0.357 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000919225800 1068637600 /nfs/dbraw/zinc/63/76/00/1068637600.db2.gz ATPRKWUWRLRJKP-CYBMUJFWSA-N 0 0 485.515 0.282 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000919225801 1068637443 /nfs/dbraw/zinc/63/74/43/1068637443.db2.gz ATPRKWUWRLRJKP-ZDUSSCGKSA-N 0 0 485.515 0.282 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000919227422 1068638210 /nfs/dbraw/zinc/63/82/10/1068638210.db2.gz QRCOYWOANTXDAX-HNNXBMFYSA-N 0 0 483.543 0.890 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000919227423 1068638219 /nfs/dbraw/zinc/63/82/19/1068638219.db2.gz QRCOYWOANTXDAX-OAHLLOKOSA-N 0 0 483.543 0.890 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1OC ZINC000919227443 1068638175 /nfs/dbraw/zinc/63/81/75/1068638175.db2.gz RVJVNEGREFBVJB-AWEZNQCLSA-N 0 0 469.516 0.642 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1OC ZINC000919227444 1068638223 /nfs/dbraw/zinc/63/82/23/1068638223.db2.gz RVJVNEGREFBVJB-CQSZACIVSA-N 0 0 469.516 0.642 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1OC ZINC000919227644 1068638852 /nfs/dbraw/zinc/63/88/52/1068638852.db2.gz VEOKQIBMGQIPFQ-NRFANRHFSA-N 0 0 481.527 0.690 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1OC ZINC000919227659 1068638832 /nfs/dbraw/zinc/63/88/32/1068638832.db2.gz VEOKQIBMGQIPFQ-OAQYLSRUSA-N 0 0 481.527 0.690 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1OC ZINC000919227711 1068638689 /nfs/dbraw/zinc/63/86/89/1068638689.db2.gz VMSXNWADPZUEEP-NRFANRHFSA-N 0 0 483.543 0.936 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1OC ZINC000919227717 1068638753 /nfs/dbraw/zinc/63/87/53/1068638753.db2.gz VMSXNWADPZUEEP-OAQYLSRUSA-N 0 0 483.543 0.936 20 30 JCEDRN CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000919227817 1068638678 /nfs/dbraw/zinc/63/86/78/1068638678.db2.gz WTLLJOFHDGGOKJ-UHFFFAOYSA-N 0 0 469.516 0.644 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1OC ZINC000919227939 1068638620 /nfs/dbraw/zinc/63/86/20/1068638620.db2.gz ZGRKCIQBVABYPU-UHFFFAOYSA-N 0 0 469.516 0.642 20 30 JCEDRN CC(=O)NCCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919231991 1068636354 /nfs/dbraw/zinc/63/63/54/1068636354.db2.gz CEZFUGRKNTTXEB-UHFFFAOYSA-N 0 0 464.544 0.631 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)o1 ZINC000919244501 1068642595 /nfs/dbraw/zinc/64/25/95/1068642595.db2.gz JBGLFURHBOQJFM-HSZRJFAPSA-N 0 0 498.471 0.653 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)o1 ZINC000919244519 1068642606 /nfs/dbraw/zinc/64/26/06/1068642606.db2.gz JBGLFURHBOQJFM-QHCPKHFHSA-N 0 0 498.471 0.653 20 30 JCEDRN CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000919247853 1068646234 /nfs/dbraw/zinc/64/62/34/1068646234.db2.gz RHDJJXZHKNYWTE-INIZCTEOSA-N 0 0 491.526 0.812 20 30 JCEDRN CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000919247854 1068646104 /nfs/dbraw/zinc/64/61/04/1068646104.db2.gz RHDJJXZHKNYWTE-MRXNPFEDSA-N 0 0 491.526 0.812 20 30 JCEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000919252711 1068649033 /nfs/dbraw/zinc/64/90/33/1068649033.db2.gz IDORADGTQNJXMV-UHFFFAOYSA-N 0 0 479.545 0.915 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCn2ccccc2=O)CC1 ZINC000919255642 1068649803 /nfs/dbraw/zinc/64/98/03/1068649803.db2.gz STSQKZMOKVRRJS-UHFFFAOYSA-N 0 0 458.496 0.186 20 30 JCEDRN C[C@H](C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1C(=O)CCC1=O ZINC000919259859 1068652099 /nfs/dbraw/zinc/65/20/99/1068652099.db2.gz MQAYPUBQWDFXKC-CYBMUJFWSA-N 0 0 455.427 0.536 20 30 JCEDRN C[C@@H](C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1C(=O)CCC1=O ZINC000919259861 1068652186 /nfs/dbraw/zinc/65/21/86/1068652186.db2.gz MQAYPUBQWDFXKC-ZDUSSCGKSA-N 0 0 455.427 0.536 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2ncc3ccccc3c2=O)CC1 ZINC000919262305 1068653450 /nfs/dbraw/zinc/65/34/50/1068653450.db2.gz GCBVLHCYWWKOFC-UHFFFAOYSA-N 0 0 495.517 0.344 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnc3sccn3c2=O)CC1 ZINC000919265550 1068654894 /nfs/dbraw/zinc/65/48/94/1068654894.db2.gz NZCQXRZOUGJTFL-UHFFFAOYSA-N 0 0 487.519 0.318 20 30 JCEDRN CC(C)c1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnc2ncnn21 ZINC000919271647 1068660641 /nfs/dbraw/zinc/66/06/41/1068660641.db2.gz QPWUPHKMLUTATK-UHFFFAOYSA-N 0 0 497.537 0.809 20 30 JCEDRN CC(C)CS(=O)(=O)CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919274734 1068656184 /nfs/dbraw/zinc/65/61/84/1068656184.db2.gz SKZPPPYYCOZIBK-UHFFFAOYSA-N 0 0 485.584 0.395 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000919275277 1068656614 /nfs/dbraw/zinc/65/66/14/1068656614.db2.gz BMFJSQFYEXMUBN-UHFFFAOYSA-N 0 0 483.568 0.292 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000919304907 1068664082 /nfs/dbraw/zinc/66/40/82/1068664082.db2.gz UNOSSZVXJJTGDL-UHFFFAOYSA-N 0 0 470.507 0.837 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2CCCCCCC2=O)CC1 ZINC000919307049 1068664728 /nfs/dbraw/zinc/66/47/28/1068664728.db2.gz RYSXOONJZZUGTA-UHFFFAOYSA-N 0 0 476.555 0.727 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000919315071 1068662133 /nfs/dbraw/zinc/66/21/33/1068662133.db2.gz AJGOZTQBZSZTOQ-CRAIPNDOSA-N 0 0 470.569 0.830 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000919315072 1068661937 /nfs/dbraw/zinc/66/19/37/1068661937.db2.gz AJGOZTQBZSZTOQ-MAUKXSAKSA-N 0 0 470.569 0.830 20 30 JCEDRN CCCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000919315073 1068662127 /nfs/dbraw/zinc/66/21/27/1068662127.db2.gz AJGOZTQBZSZTOQ-QAPCUYQASA-N 0 0 470.569 0.830 20 30 JCEDRN CCCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000919315074 1068661956 /nfs/dbraw/zinc/66/19/56/1068661956.db2.gz AJGOZTQBZSZTOQ-YJBOKZPZSA-N 0 0 470.569 0.830 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000919315096 1068662620 /nfs/dbraw/zinc/66/26/20/1068662620.db2.gz BQLSIRLXURUBMJ-UHFFFAOYSA-N 0 0 497.537 0.042 20 30 JCEDRN C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000919315112 1068662688 /nfs/dbraw/zinc/66/26/88/1068662688.db2.gz CGHIREFHXCXZOS-INIZCTEOSA-N 0 0 457.512 0.544 20 30 JCEDRN C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000919315113 1068662667 /nfs/dbraw/zinc/66/26/67/1068662667.db2.gz CGHIREFHXCXZOS-MRXNPFEDSA-N 0 0 457.512 0.544 20 30 JCEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000919315466 1068662643 /nfs/dbraw/zinc/66/26/43/1068662643.db2.gz GAGXRCMPYHGMPS-UHFFFAOYSA-N 0 0 478.571 0.075 20 30 JCEDRN CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2=O ZINC000919315486 1068662562 /nfs/dbraw/zinc/66/25/62/1068662562.db2.gz ICPCXMOSHNEYIH-UHFFFAOYSA-N 0 0 476.511 0.548 20 30 JCEDRN CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000919315585 1068662540 /nfs/dbraw/zinc/66/25/40/1068662540.db2.gz ITRULGLZSMNQOE-PBHICJAKSA-N 0 0 456.542 0.440 20 30 JCEDRN CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000919315586 1068662695 /nfs/dbraw/zinc/66/26/95/1068662695.db2.gz ITRULGLZSMNQOE-RHSMWYFYSA-N 0 0 456.542 0.440 20 30 JCEDRN CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000919315587 1068662682 /nfs/dbraw/zinc/66/26/82/1068662682.db2.gz ITRULGLZSMNQOE-WMLDXEAASA-N 0 0 456.542 0.440 20 30 JCEDRN CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000919315588 1068662651 /nfs/dbraw/zinc/66/26/51/1068662651.db2.gz ITRULGLZSMNQOE-YOEHRIQHSA-N 0 0 456.542 0.440 20 30 JCEDRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O ZINC000919315620 1068662553 /nfs/dbraw/zinc/66/25/53/1068662553.db2.gz KXPUAHWVCXBALB-HSZRJFAPSA-N 0 0 498.517 0.905 20 30 JCEDRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O ZINC000919315621 1068662610 /nfs/dbraw/zinc/66/26/10/1068662610.db2.gz KXPUAHWVCXBALB-QHCPKHFHSA-N 0 0 498.517 0.905 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000919315649 1068662600 /nfs/dbraw/zinc/66/26/00/1068662600.db2.gz LYMNHGJFHUVAFC-IBGZPJMESA-N 0 0 482.580 0.975 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000919315653 1068662580 /nfs/dbraw/zinc/66/25/80/1068662580.db2.gz LYMNHGJFHUVAFC-LJQANCHMSA-N 0 0 482.580 0.975 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000919315856 1068662654 /nfs/dbraw/zinc/66/26/54/1068662654.db2.gz OISRGDRJXQOJEX-MOPGFXCFSA-N 0 0 498.579 0.211 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000919315858 1068662573 /nfs/dbraw/zinc/66/25/73/1068662573.db2.gz OISRGDRJXQOJEX-OALUTQOASA-N 0 0 498.579 0.211 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000919315861 1068662661 /nfs/dbraw/zinc/66/26/61/1068662661.db2.gz OISRGDRJXQOJEX-RBUKOAKNSA-N 0 0 498.579 0.211 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000919315862 1068662674 /nfs/dbraw/zinc/66/26/74/1068662674.db2.gz OISRGDRJXQOJEX-RTBURBONSA-N 0 0 498.579 0.211 20 30 JCEDRN CCOC(=O)N1CCC(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000919316064 1068662700 /nfs/dbraw/zinc/66/27/00/1068662700.db2.gz TXFHVDADHCUDPG-UHFFFAOYSA-N 0 0 451.501 0.753 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)o1 ZINC000919316076 1068662591 /nfs/dbraw/zinc/66/25/91/1068662591.db2.gz REVUXERYYOCKIH-UHFFFAOYSA-N 0 0 471.495 0.533 20 30 JCEDRN CNS(=O)(=O)c1cc(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1C ZINC000919316155 1068662636 /nfs/dbraw/zinc/66/26/36/1068662636.db2.gz VAPXWUSUTHFQHN-UHFFFAOYSA-N 0 0 479.536 0.872 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000919316159 1068663382 /nfs/dbraw/zinc/66/33/82/1068663382.db2.gz VDTGVDHAHKPPGV-GOSISDBHSA-N 0 0 470.569 0.688 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000919316160 1068663435 /nfs/dbraw/zinc/66/34/35/1068663435.db2.gz VDTGVDHAHKPPGV-SFHVURJKSA-N 0 0 470.569 0.688 20 30 JCEDRN C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000919316252 1068663349 /nfs/dbraw/zinc/66/33/49/1068663349.db2.gz ZGDJKXCKFPPRSM-INIZCTEOSA-N 0 0 473.507 0.982 20 30 JCEDRN C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000919316253 1068663426 /nfs/dbraw/zinc/66/34/26/1068663426.db2.gz ZGDJKXCKFPPRSM-MRXNPFEDSA-N 0 0 473.507 0.982 20 30 JCEDRN CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000919316460 1068663404 /nfs/dbraw/zinc/66/34/04/1068663404.db2.gz YGZKPSBKLJGZOJ-AZUAARDMSA-N 0 0 470.569 0.734 20 30 JCEDRN CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000919316471 1068663339 /nfs/dbraw/zinc/66/33/39/1068663339.db2.gz YGZKPSBKLJGZOJ-ICSRJNTNSA-N 0 0 470.569 0.734 20 30 JCEDRN CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000919316473 1068663418 /nfs/dbraw/zinc/66/34/18/1068663418.db2.gz YGZKPSBKLJGZOJ-QUCCMNQESA-N 0 0 470.569 0.734 20 30 JCEDRN CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000919316475 1068663412 /nfs/dbraw/zinc/66/34/12/1068663412.db2.gz YGZKPSBKLJGZOJ-UYAOXDASSA-N 0 0 470.569 0.734 20 30 JCEDRN CN1C(=O)c2ccc(NC(=O)COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2C1=O ZINC000919316545 1068663260 /nfs/dbraw/zinc/66/32/60/1068663260.db2.gz ZRAOSOYMAUFKAD-UHFFFAOYSA-N 0 0 455.448 0.881 20 30 JCEDRN CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000919318222 1068663360 /nfs/dbraw/zinc/66/33/60/1068663360.db2.gz GMVFMIWEAZQMJE-AEFFLSMTSA-N 0 0 456.542 0.344 20 30 JCEDRN CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000919318224 1068663316 /nfs/dbraw/zinc/66/33/16/1068663316.db2.gz GMVFMIWEAZQMJE-FUHWJXTLSA-N 0 0 456.542 0.344 20 30 JCEDRN CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000919318226 1068663333 /nfs/dbraw/zinc/66/33/33/1068663333.db2.gz GMVFMIWEAZQMJE-SJLPKXTDSA-N 0 0 456.542 0.344 20 30 JCEDRN CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000919318227 1068663303 /nfs/dbraw/zinc/66/33/03/1068663303.db2.gz GMVFMIWEAZQMJE-WMZOPIPTSA-N 0 0 456.542 0.344 20 30 JCEDRN CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000919318229 1068663354 /nfs/dbraw/zinc/66/33/54/1068663354.db2.gz GNKHFQSRKMGHOH-UHFFFAOYSA-N 0 0 475.508 0.596 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000919318626 1068663346 /nfs/dbraw/zinc/66/33/46/1068663346.db2.gz LFHGKJQEUPCQQF-UHFFFAOYSA-N 0 0 479.536 0.905 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000919318679 1068663375 /nfs/dbraw/zinc/66/33/75/1068663375.db2.gz OBZMSERYKHKNPD-HNNXBMFYSA-N 0 0 451.501 0.705 20 30 JCEDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000919318680 1068663392 /nfs/dbraw/zinc/66/33/92/1068663392.db2.gz OBZMSERYKHKNPD-OAHLLOKOSA-N 0 0 451.501 0.705 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000919318987 1068664121 /nfs/dbraw/zinc/66/41/21/1068664121.db2.gz RVLAGFFILPUOQP-UHFFFAOYSA-N 0 0 499.545 0.805 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000919319170 1068664071 /nfs/dbraw/zinc/66/40/71/1068664071.db2.gz UOKKFSJYFJOXPW-UHFFFAOYSA-N 0 0 477.520 0.253 20 30 JCEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000919319183 1068664163 /nfs/dbraw/zinc/66/41/63/1068664163.db2.gz VMAWLPFRFBBSRH-UHFFFAOYSA-N 0 0 459.480 0.594 20 30 JCEDRN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000919319259 1068664168 /nfs/dbraw/zinc/66/41/68/1068664168.db2.gz YQZIOKYGUTWEOW-AWEZNQCLSA-N 0 0 491.547 0.641 20 30 JCEDRN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000919319260 1068664094 /nfs/dbraw/zinc/66/40/94/1068664094.db2.gz YQZIOKYGUTWEOW-CQSZACIVSA-N 0 0 491.547 0.641 20 30 JCEDRN CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000919319266 1068664114 /nfs/dbraw/zinc/66/41/14/1068664114.db2.gz ZBFXLJXGRCVPJC-UHFFFAOYSA-N 0 0 464.521 0.736 20 30 JCEDRN CC(C)CS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919333946 1068673010 /nfs/dbraw/zinc/67/30/10/1068673010.db2.gz PDDBMKSHASAGFM-UHFFFAOYSA-N 0 0 471.557 0.005 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCS(=O)(=O)C2CCCC2)CC1 ZINC000919334383 1068673059 /nfs/dbraw/zinc/67/30/59/1068673059.db2.gz UGKHAIZUTGCDBH-UHFFFAOYSA-N 0 0 497.595 0.682 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000919337837 1068666944 /nfs/dbraw/zinc/66/69/44/1068666944.db2.gz MKLKFCYQNGZGIC-UHFFFAOYSA-N 0 0 494.533 0.758 20 30 JCEDRN CC(C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000919352896 1068678085 /nfs/dbraw/zinc/67/80/85/1068678085.db2.gz ZCUJJTJAYSOYJM-UHFFFAOYSA-N 0 0 451.501 0.774 20 30 JCEDRN C[C@H](NC(=O)C1CCCC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919352940 1068677969 /nfs/dbraw/zinc/67/79/69/1068677969.db2.gz BMDGGVOGYMLWKQ-INIZCTEOSA-N 0 0 476.555 0.629 20 30 JCEDRN C[C@@H](NC(=O)C1CCCC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919352941 1068678023 /nfs/dbraw/zinc/67/80/23/1068678023.db2.gz BMDGGVOGYMLWKQ-MRXNPFEDSA-N 0 0 476.555 0.629 20 30 JCEDRN CCCCS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000919361615 1068676753 /nfs/dbraw/zinc/67/67/53/1068676753.db2.gz QQXXCTXWJJELQS-UHFFFAOYSA-N 0 0 481.575 0.888 20 30 JCEDRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000919362244 1068682273 /nfs/dbraw/zinc/68/22/73/1068682273.db2.gz VDMVXJDCLCXBOF-KRWDZBQOSA-N 0 0 467.548 0.641 20 30 JCEDRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000919362245 1068682990 /nfs/dbraw/zinc/68/29/90/1068682990.db2.gz VDMVXJDCLCXBOF-QGZVFWFLSA-N 0 0 467.548 0.641 20 30 JCEDRN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CN1CCCS1(=O)=O)CCCC2 ZINC000919362598 1068683000 /nfs/dbraw/zinc/68/30/00/1068683000.db2.gz BDVFVVDBFRYAES-HNNXBMFYSA-N 0 0 464.544 0.935 20 30 JCEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CN1CCCS1(=O)=O)CCCC2 ZINC000919362599 1068682707 /nfs/dbraw/zinc/68/27/07/1068682707.db2.gz BDVFVVDBFRYAES-OAHLLOKOSA-N 0 0 464.544 0.935 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2CCCS2(=O)=O)CC1 ZINC000919362741 1068682781 /nfs/dbraw/zinc/68/27/81/1068682781.db2.gz IZHWOVRRTLWDIH-UHFFFAOYSA-N 0 0 463.472 0.034 20 30 JCEDRN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000919382841 1068687037 /nfs/dbraw/zinc/68/70/37/1068687037.db2.gz SAARIPKNWKHBQZ-UHFFFAOYSA-N 0 0 486.876 0.998 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I ZINC000919396256 1068689785 /nfs/dbraw/zinc/68/97/85/1068689785.db2.gz CVRQPOCBKMQSBH-UHFFFAOYSA-N 0 0 495.295 0.710 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(I)c(C(=O)OCC(=O)NCCC#N)c1 ZINC000919396302 1068689588 /nfs/dbraw/zinc/68/95/88/1068689588.db2.gz FSYKCANAGICFAK-UHFFFAOYSA-N 0 0 465.269 0.728 20 30 JCEDRN C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I ZINC000919397035 1068690474 /nfs/dbraw/zinc/69/04/74/1068690474.db2.gz KONRLLZJHFCWSY-UHFFFAOYSA-N 0 0 494.307 0.771 20 30 JCEDRN C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I ZINC000919397632 1068687610 /nfs/dbraw/zinc/68/76/10/1068687610.db2.gz OVKCNSOMQHSBGJ-JTQLQIEISA-N 0 0 464.281 0.836 20 30 JCEDRN C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I ZINC000919397634 1068687634 /nfs/dbraw/zinc/68/76/34/1068687634.db2.gz OVKCNSOMQHSBGJ-SNVBAGLBSA-N 0 0 464.281 0.836 20 30 JCEDRN C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I ZINC000919398104 1068687605 /nfs/dbraw/zinc/68/76/05/1068687605.db2.gz VVSYMCJTKHVXAJ-UHFFFAOYSA-N 0 0 492.291 0.218 20 30 JCEDRN C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I ZINC000919398313 1068688327 /nfs/dbraw/zinc/68/83/27/1068688327.db2.gz ZQIKBTQBAUTTBL-UHFFFAOYSA-N 0 0 450.254 0.448 20 30 JCEDRN CCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000919412101 1068690494 /nfs/dbraw/zinc/69/04/94/1068690494.db2.gz JAVPVQFEOBXVDA-UHFFFAOYSA-N 0 0 479.490 0.798 20 30 JCEDRN N#Cc1cccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000919415888 1068691750 /nfs/dbraw/zinc/69/17/50/1068691750.db2.gz LPZKQBBSFURLDX-UHFFFAOYSA-N 0 0 468.491 0.885 20 30 JCEDRN N#Cc1cccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000919416107 1068691675 /nfs/dbraw/zinc/69/16/75/1068691675.db2.gz VTUCLKPWUDWEFT-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN N#Cc1cccc(OCC(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000919416850 1068691678 /nfs/dbraw/zinc/69/16/78/1068691678.db2.gz CUFSKFBRCRBKGT-UHFFFAOYSA-N 0 0 473.507 0.818 20 30 JCEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)COc3cccc(C#N)c3)C2=O)cc1 ZINC000919416898 1068691718 /nfs/dbraw/zinc/69/17/18/1068691718.db2.gz GARHVHNLOOHCBV-JOCHJYFZSA-N 0 0 452.423 0.987 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)COc3cccc(C#N)c3)C2=O)cc1 ZINC000919416900 1068691655 /nfs/dbraw/zinc/69/16/55/1068691655.db2.gz GARHVHNLOOHCBV-QFIPXVFZSA-N 0 0 452.423 0.987 20 30 JCEDRN N#Cc1cccc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000919416920 1068691713 /nfs/dbraw/zinc/69/17/13/1068691713.db2.gz GWCWFDXVKWPZRA-UHFFFAOYSA-N 0 0 488.478 0.922 20 30 JCEDRN N#Cc1cccc(OCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000919417213 1068691734 /nfs/dbraw/zinc/69/17/34/1068691734.db2.gz SEAQOHXIOVSAAJ-UHFFFAOYSA-N 0 0 473.507 0.818 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2cccc(C#N)c2)CC1 ZINC000919417633 1068691695 /nfs/dbraw/zinc/69/16/95/1068691695.db2.gz QDBMNAGCBURCKB-UHFFFAOYSA-N 0 0 462.484 0.618 20 30 JCEDRN CC(C)(C)n1cc(C(=O)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000919433360 1068693809 /nfs/dbraw/zinc/69/38/09/1068693809.db2.gz RVGQJEJYLUEDAB-UHFFFAOYSA-N 0 0 487.538 0.769 20 30 JCEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000919436940 1068695047 /nfs/dbraw/zinc/69/50/47/1068695047.db2.gz MZQRSNUDGUBLBU-UHFFFAOYSA-N 0 0 477.499 0.424 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(F)c(S(=O)(=O)N(C)C)c3)CC2)o1 ZINC000919445165 1068700440 /nfs/dbraw/zinc/70/04/40/1068700440.db2.gz RFXIBWHWFDVFNH-UHFFFAOYSA-N 0 0 479.490 0.750 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc3c(cc2O)OCO3)CC1 ZINC000919450064 1068700900 /nfs/dbraw/zinc/70/09/00/1068700900.db2.gz SOMBHOAOVKMEQV-UHFFFAOYSA-N 0 0 473.463 0.682 20 30 JCEDRN CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000919453273 1068697451 /nfs/dbraw/zinc/69/74/51/1068697451.db2.gz BQOMODIVOCNNOR-GOSISDBHSA-N 0 0 476.555 0.583 20 30 JCEDRN CCC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000919453274 1068697186 /nfs/dbraw/zinc/69/71/86/1068697186.db2.gz BQOMODIVOCNNOR-SFHVURJKSA-N 0 0 476.555 0.583 20 30 JCEDRN CCn1c(=O)[nH]c2cc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)ccc2c1=O ZINC000919460516 1068702290 /nfs/dbraw/zinc/70/22/90/1068702290.db2.gz KXMKSTNHUJZJRE-UHFFFAOYSA-N 0 0 466.454 0.796 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn4c3[nH]c(=O)c3ccccc34)CC2)o1 ZINC000919465148 1068703268 /nfs/dbraw/zinc/70/32/68/1068703268.db2.gz ATECTEGPZDQAQK-UHFFFAOYSA-N 0 0 461.438 0.850 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(NCC(N)=O)cc2)CC1 ZINC000919467782 1068703638 /nfs/dbraw/zinc/70/36/38/1068703638.db2.gz AXHPAQCYMKLWLJ-UHFFFAOYSA-N 0 0 485.522 0.145 20 30 JCEDRN CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919472813 1068705771 /nfs/dbraw/zinc/70/57/71/1068705771.db2.gz VYMYTPGTVUWOKL-GOSISDBHSA-N 0 0 476.555 0.725 20 30 JCEDRN CCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919472816 1068705831 /nfs/dbraw/zinc/70/58/31/1068705831.db2.gz VYMYTPGTVUWOKL-SFHVURJKSA-N 0 0 476.555 0.725 20 30 JCEDRN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000919473935 1068701873 /nfs/dbraw/zinc/70/18/73/1068701873.db2.gz SCXRZHNBHLTXLL-KRWDZBQOSA-N 0 0 467.548 0.641 20 30 JCEDRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000919473936 1068701739 /nfs/dbraw/zinc/70/17/39/1068701739.db2.gz SCXRZHNBHLTXLL-QGZVFWFLSA-N 0 0 467.548 0.641 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc3c2OCO3)CC1 ZINC000919475206 1068705917 /nfs/dbraw/zinc/70/59/17/1068705917.db2.gz JVTJEZNYNGRSIJ-UHFFFAOYSA-N 0 0 457.464 0.977 20 30 JCEDRN CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000919506516 1068709973 /nfs/dbraw/zinc/70/99/73/1068709973.db2.gz BXQBMHQETQRRQM-UHFFFAOYSA-N 0 0 451.483 0.962 20 30 JCEDRN CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000919506702 1068709930 /nfs/dbraw/zinc/70/99/30/1068709930.db2.gz GIFCEAINFVSMMZ-HNNXBMFYSA-N 0 0 459.503 0.152 20 30 JCEDRN CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000919506703 1068709715 /nfs/dbraw/zinc/70/97/15/1068709715.db2.gz GIFCEAINFVSMMZ-OAHLLOKOSA-N 0 0 459.503 0.152 20 30 JCEDRN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)CNC(=O)CNC(C)=O)cc1 ZINC000919508476 1068710294 /nfs/dbraw/zinc/71/02/94/1068710294.db2.gz SKCJPAHBNGCOIJ-UHFFFAOYSA-N 0 0 455.471 0.708 20 30 JCEDRN CCc1noc(CCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000919515121 1068711520 /nfs/dbraw/zinc/71/15/20/1068711520.db2.gz WMNUKRJWWNILON-UHFFFAOYSA-N 0 0 475.527 0.903 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000919524391 1068710371 /nfs/dbraw/zinc/71/03/71/1068710371.db2.gz CRGZIEPGMVILMN-UHFFFAOYSA-N 0 0 499.549 0.812 20 30 JCEDRN Cc1cc2nc(C)cc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2n1 ZINC000919528703 1068712388 /nfs/dbraw/zinc/71/23/88/1068712388.db2.gz FZRYWDDYSDCRHK-UHFFFAOYSA-N 0 0 482.522 0.908 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC2)o1 ZINC000919542775 1068718665 /nfs/dbraw/zinc/71/86/65/1068718665.db2.gz UQQMTWUBAXRFQN-UHFFFAOYSA-N 0 0 499.505 0.667 20 30 JCEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000919547957 1068719119 /nfs/dbraw/zinc/71/91/19/1068719119.db2.gz IAWWFLNDMVIXHN-UHFFFAOYSA-N 0 0 467.530 0.542 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)o1 ZINC000919548502 1068719167 /nfs/dbraw/zinc/71/91/67/1068719167.db2.gz YVXHUYWELPSWII-UHFFFAOYSA-N 0 0 462.466 0.970 20 30 JCEDRN CC(C)N(CCCNC(=O)COC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)S(C)(=O)=O ZINC000919548708 1068719239 /nfs/dbraw/zinc/71/92/39/1068719239.db2.gz SPWSPBJFXVZXKZ-UHFFFAOYSA-N 0 0 462.532 0.659 20 30 JCEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000919548873 1068719324 /nfs/dbraw/zinc/71/93/24/1068719324.db2.gz AVGKCLMKXOWRTL-UHFFFAOYSA-N 0 0 486.496 0.508 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)o1 ZINC000919548882 1068719132 /nfs/dbraw/zinc/71/91/32/1068719132.db2.gz CBNGPGHSYHXRIO-UHFFFAOYSA-N 0 0 460.454 1.000 20 30 JCEDRN N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)c1N ZINC000919548908 1068719090 /nfs/dbraw/zinc/71/90/90/1068719090.db2.gz DICJCFDGOUWROC-MOPGFXCFSA-N 0 0 487.538 0.678 20 30 JCEDRN N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2)c1N ZINC000919548909 1068719225 /nfs/dbraw/zinc/71/92/25/1068719225.db2.gz DICJCFDGOUWROC-OALUTQOASA-N 0 0 487.538 0.678 20 30 JCEDRN N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2)c1N ZINC000919548910 1068719075 /nfs/dbraw/zinc/71/90/75/1068719075.db2.gz DICJCFDGOUWROC-RBUKOAKNSA-N 0 0 487.538 0.678 20 30 JCEDRN N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)c1N ZINC000919548911 1068719823 /nfs/dbraw/zinc/71/98/23/1068719823.db2.gz DICJCFDGOUWROC-RTBURBONSA-N 0 0 487.538 0.678 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCS(=O)(=O)N3CCCC3)CC2)o1 ZINC000919555370 1068720864 /nfs/dbraw/zinc/72/08/64/1068720864.db2.gz OMNMDFXPTQXKLG-UHFFFAOYSA-N 0 0 453.521 0.252 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000919557898 1068718190 /nfs/dbraw/zinc/71/81/90/1068718190.db2.gz HOBAQZVEYCXULY-UHFFFAOYSA-N 0 0 492.432 0.223 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cc(C(N)=O)c4ccccc43)CC2)o1 ZINC000919567944 1068724140 /nfs/dbraw/zinc/72/41/40/1068724140.db2.gz RXCWDFQRQLCSKC-UHFFFAOYSA-N 0 0 450.455 0.800 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCn2cc(Cl)cn2)CC1 ZINC000919572619 1068724888 /nfs/dbraw/zinc/72/48/88/1068724888.db2.gz XHNQSVOQJUVJHA-UHFFFAOYSA-N 0 0 465.919 0.875 20 30 JCEDRN COCCn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1=O ZINC000919577779 1068721976 /nfs/dbraw/zinc/72/19/76/1068721976.db2.gz YFQBPHOYOXPKCF-UHFFFAOYSA-N 0 0 488.522 0.056 20 30 JCEDRN CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)cc2S1(=O)=O ZINC000919584170 1068727372 /nfs/dbraw/zinc/72/73/72/1068727372.db2.gz WEZSGBLSRBCZAY-UHFFFAOYSA-N 0 0 487.494 0.525 20 30 JCEDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919600398 1068729943 /nfs/dbraw/zinc/72/99/43/1068729943.db2.gz HEOXERWGUOXFNU-IBGZPJMESA-N 0 0 490.582 0.971 20 30 JCEDRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919600401 1068730043 /nfs/dbraw/zinc/73/00/43/1068730043.db2.gz HEOXERWGUOXFNU-LJQANCHMSA-N 0 0 490.582 0.971 20 30 JCEDRN CC(C)S(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000919602647 1068730456 /nfs/dbraw/zinc/73/04/56/1068730456.db2.gz DWQMACHIROPEMQ-UHFFFAOYSA-N 0 0 450.473 0.821 20 30 JCEDRN CCOCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919621301 1068732932 /nfs/dbraw/zinc/73/29/32/1068732932.db2.gz ZSMPUAJQKBESLM-INIZCTEOSA-N 0 0 453.517 0.376 20 30 JCEDRN CCOCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919621303 1068733043 /nfs/dbraw/zinc/73/30/43/1068733043.db2.gz ZSMPUAJQKBESLM-MRXNPFEDSA-N 0 0 453.517 0.376 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3F)CC2)o1 ZINC000919623878 1068733576 /nfs/dbraw/zinc/73/35/76/1068733576.db2.gz LTQIKXYUPBLAKA-UHFFFAOYSA-N 0 0 450.448 0.903 20 30 JCEDRN N#Cc1ccc(NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000919624611 1068733902 /nfs/dbraw/zinc/73/39/02/1068733902.db2.gz WKVKAPYJNUKXSB-UHFFFAOYSA-N 0 0 487.494 0.955 20 30 JCEDRN N#Cc1ccc(NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000919626027 1068733879 /nfs/dbraw/zinc/73/38/79/1068733879.db2.gz GRPWPPOJXOUKAH-UHFFFAOYSA-N 0 0 487.494 0.955 20 30 JCEDRN C[C@H](Sc1ncccn1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919626567 1068733957 /nfs/dbraw/zinc/73/39/57/1068733957.db2.gz SISYVHRTXVDPQN-HNNXBMFYSA-N 0 0 475.552 0.905 20 30 JCEDRN C[C@@H](Sc1ncccn1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919626568 1068733909 /nfs/dbraw/zinc/73/39/09/1068733909.db2.gz SISYVHRTXVDPQN-OAHLLOKOSA-N 0 0 475.552 0.905 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000919627678 1068731473 /nfs/dbraw/zinc/73/14/73/1068731473.db2.gz AHWLATDPIFXHKC-UHFFFAOYSA-N 0 0 461.500 0.651 20 30 JCEDRN N#Cc1ccc(NCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 ZINC000919628119 1068731511 /nfs/dbraw/zinc/73/15/11/1068731511.db2.gz SDHBCQGZSAPTIW-UHFFFAOYSA-N 0 0 472.523 0.851 20 30 JCEDRN N#Cc1ccc(NCC(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000919628316 1068732160 /nfs/dbraw/zinc/73/21/60/1068732160.db2.gz YCTZHUSQYAWZNU-UHFFFAOYSA-N 0 0 472.523 0.851 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccc3c(c2)OCO3)CC1 ZINC000919641954 1068734836 /nfs/dbraw/zinc/73/48/36/1068734836.db2.gz ZJOVHSWXCGPCKS-UHFFFAOYSA-N 0 0 471.491 0.906 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000919644406 1068741782 /nfs/dbraw/zinc/74/17/82/1068741782.db2.gz BKNGMQZVUASJDX-GXTWGEPZSA-N 0 0 465.484 0.567 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000919644407 1068741915 /nfs/dbraw/zinc/74/19/15/1068741915.db2.gz BKNGMQZVUASJDX-JSGCOSHPSA-N 0 0 465.484 0.567 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000919644408 1068741758 /nfs/dbraw/zinc/74/17/58/1068741758.db2.gz BKNGMQZVUASJDX-OCCSQVGLSA-N 0 0 465.484 0.567 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000919644409 1068741696 /nfs/dbraw/zinc/74/16/96/1068741696.db2.gz BKNGMQZVUASJDX-TZMCWYRMSA-N 0 0 465.484 0.567 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1 ZINC000919645562 1068742824 /nfs/dbraw/zinc/74/28/24/1068742824.db2.gz BWWFSRHZACOFKM-BTYIYWSLSA-N 0 0 461.496 0.975 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CC1 ZINC000919645567 1068742923 /nfs/dbraw/zinc/74/29/23/1068742923.db2.gz BWWFSRHZACOFKM-QVKFZJNVSA-N 0 0 461.496 0.975 20 30 JCEDRN C[C@@](C#N)(NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CC1 ZINC000919645568 1068742762 /nfs/dbraw/zinc/74/27/62/1068742762.db2.gz BWWFSRHZACOFKM-VFNWGFHPSA-N 0 0 461.496 0.975 20 30 JCEDRN C[C@](C#N)(NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1 ZINC000919645571 1068743429 /nfs/dbraw/zinc/74/34/29/1068743429.db2.gz BWWFSRHZACOFKM-YCRPNKLZSA-N 0 0 461.496 0.975 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000919645590 1068743216 /nfs/dbraw/zinc/74/32/16/1068743216.db2.gz BZXAAWIRKVESDV-INIZCTEOSA-N 0 0 474.495 0.823 20 30 JCEDRN N#CCCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000919645593 1068743333 /nfs/dbraw/zinc/74/33/33/1068743333.db2.gz BZXAAWIRKVESDV-MRXNPFEDSA-N 0 0 474.495 0.823 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000919646640 1068736048 /nfs/dbraw/zinc/73/60/48/1068736048.db2.gz HBHXUKDRQBLGIG-CYBMUJFWSA-N 0 0 451.457 0.179 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000919646645 1068736536 /nfs/dbraw/zinc/73/65/36/1068736536.db2.gz HBHXUKDRQBLGIG-ZDUSSCGKSA-N 0 0 451.457 0.179 20 30 JCEDRN CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000919649918 1068738566 /nfs/dbraw/zinc/73/85/66/1068738566.db2.gz OAOKOPVARAJUDA-HNNXBMFYSA-N 0 0 453.521 0.108 20 30 JCEDRN CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000919649919 1068738941 /nfs/dbraw/zinc/73/89/41/1068738941.db2.gz OAOKOPVARAJUDA-OAHLLOKOSA-N 0 0 453.521 0.108 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000919653916 1068741125 /nfs/dbraw/zinc/74/11/25/1068741125.db2.gz FGDRVPZBDHWMTA-UHFFFAOYSA-N 0 0 454.516 0.958 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000919654603 1068741372 /nfs/dbraw/zinc/74/13/72/1068741372.db2.gz PGAAJALPKRJDFI-UHFFFAOYSA-N 0 0 457.535 0.864 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1 ZINC000919663770 1068750674 /nfs/dbraw/zinc/75/06/74/1068750674.db2.gz QCXJGMVJWVCPSV-UHFFFAOYSA-N 0 0 451.549 0.272 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(CN4CCOC4=O)cc3)CC2)cc1 ZINC000919663860 1068751340 /nfs/dbraw/zinc/75/13/40/1068751340.db2.gz RUOSEVVFXNPASK-UHFFFAOYSA-N 0 0 497.533 0.982 20 30 JCEDRN COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000919664341 1068751653 /nfs/dbraw/zinc/75/16/53/1068751653.db2.gz DJBHTTIRGRMYQK-INIZCTEOSA-N 0 0 451.501 0.330 20 30 JCEDRN COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000919664342 1068751705 /nfs/dbraw/zinc/75/17/05/1068751705.db2.gz DJBHTTIRGRMYQK-MRXNPFEDSA-N 0 0 451.501 0.330 20 30 JCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000919664396 1068751608 /nfs/dbraw/zinc/75/16/08/1068751608.db2.gz BFRUVZNWZDWWDB-UHFFFAOYSA-N 0 0 481.534 0.834 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000919665241 1068752208 /nfs/dbraw/zinc/75/22/08/1068752208.db2.gz SKUTWPRCRZSWPD-KRWDZBQOSA-N 0 0 465.528 0.720 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000919665242 1068752049 /nfs/dbraw/zinc/75/20/49/1068752049.db2.gz SKUTWPRCRZSWPD-QGZVFWFLSA-N 0 0 465.528 0.720 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NCCOC)CC2)cc1 ZINC000919665475 1068752911 /nfs/dbraw/zinc/75/29/11/1068752911.db2.gz YTOXNXNJUZWQNN-GOSISDBHSA-N 0 0 465.528 0.735 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NCCOC)CC2)cc1 ZINC000919665476 1068752880 /nfs/dbraw/zinc/75/28/80/1068752880.db2.gz YTOXNXNJUZWQNN-SFHVURJKSA-N 0 0 465.528 0.735 20 30 JCEDRN COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000919666772 1068752810 /nfs/dbraw/zinc/75/28/10/1068752810.db2.gz NFNCBOXZCFKOMC-INIZCTEOSA-N 0 0 452.489 0.775 20 30 JCEDRN COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000919666773 1068752743 /nfs/dbraw/zinc/75/27/43/1068752743.db2.gz NFNCBOXZCFKOMC-MRXNPFEDSA-N 0 0 452.489 0.775 20 30 JCEDRN CNC(=O)[C@@H](C#N)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000919667100 1068752666 /nfs/dbraw/zinc/75/26/66/1068752666.db2.gz PZOOVEACEYGVGK-INIZCTEOSA-N 0 0 479.515 0.287 20 30 JCEDRN CNC(=O)[C@H](C#N)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000919667101 1068752920 /nfs/dbraw/zinc/75/29/20/1068752920.db2.gz PZOOVEACEYGVGK-MRXNPFEDSA-N 0 0 479.515 0.287 20 30 JCEDRN Cn1c(=O)c(C#N)c(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n(C)c1=O ZINC000919723746 1068758030 /nfs/dbraw/zinc/75/80/30/1068758030.db2.gz WUYDLPJSLFFRSM-UHFFFAOYSA-N 0 0 450.478 0.823 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)cc2)CC1 ZINC000919725071 1068758628 /nfs/dbraw/zinc/75/86/28/1068758628.db2.gz RWIIHKNVOAVEQO-NRFANRHFSA-N 0 0 462.528 0.505 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)cc2)CC1 ZINC000919725072 1068758684 /nfs/dbraw/zinc/75/86/84/1068758684.db2.gz RWIIHKNVOAVEQO-OAQYLSRUSA-N 0 0 462.528 0.505 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000919725813 1068759136 /nfs/dbraw/zinc/75/91/36/1068759136.db2.gz SCAUESMAUYNCPJ-UHFFFAOYSA-N 0 0 480.406 0.461 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1Cl ZINC000919727402 1068761170 /nfs/dbraw/zinc/76/11/70/1068761170.db2.gz RMDSFJRDBHDGOT-AWEZNQCLSA-N 0 0 467.978 0.035 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl ZINC000919727403 1068761256 /nfs/dbraw/zinc/76/12/56/1068761256.db2.gz RMDSFJRDBHDGOT-CQSZACIVSA-N 0 0 467.978 0.035 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1Cl ZINC000919727703 1068755149 /nfs/dbraw/zinc/75/51/49/1068755149.db2.gz YDMFWGGPHVDVAS-AWEZNQCLSA-N 0 0 467.978 0.035 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1Cl ZINC000919727704 1068755191 /nfs/dbraw/zinc/75/51/91/1068755191.db2.gz YDMFWGGPHVDVAS-CQSZACIVSA-N 0 0 467.978 0.035 20 30 JCEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000919728778 1068755790 /nfs/dbraw/zinc/75/57/90/1068755790.db2.gz XCLLYOLTCFXHLX-LLVKDONJSA-N 0 0 470.388 0.664 20 30 JCEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000919728779 1068755725 /nfs/dbraw/zinc/75/57/25/1068755725.db2.gz XCLLYOLTCFXHLX-NSHDSACASA-N 0 0 470.388 0.664 20 30 JCEDRN CC(C)(C)CC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919731115 1068763028 /nfs/dbraw/zinc/76/30/28/1068763028.db2.gz OCEAEJVPOWDJIW-UHFFFAOYSA-N 0 0 464.544 0.487 20 30 JCEDRN COCCOc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919739373 1068762268 /nfs/dbraw/zinc/76/22/68/1068762268.db2.gz MGPQFQCOUGSJJH-UHFFFAOYSA-N 0 0 488.522 0.668 20 30 JCEDRN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000919757646 1068766639 /nfs/dbraw/zinc/76/66/39/1068766639.db2.gz RGECQEWWEIJZFW-CYBMUJFWSA-N 0 0 450.542 0.901 20 30 JCEDRN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000919757647 1068766899 /nfs/dbraw/zinc/76/68/99/1068766899.db2.gz RGECQEWWEIJZFW-ZDUSSCGKSA-N 0 0 450.542 0.901 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000919800507 1068772399 /nfs/dbraw/zinc/77/23/99/1068772399.db2.gz LMIPXIAMEDMWRV-LGUFXXKBSA-N 0 0 497.533 0.850 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000919800508 1068772470 /nfs/dbraw/zinc/77/24/70/1068772470.db2.gz LMIPXIAMEDMWRV-XHPQRKPJSA-N 0 0 497.533 0.850 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)c1 ZINC000919800819 1068769425 /nfs/dbraw/zinc/76/94/25/1068769425.db2.gz TXIGDBBJGFZVIS-LGUFXXKBSA-N 0 0 497.533 0.850 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)c1 ZINC000919800820 1068769540 /nfs/dbraw/zinc/76/95/40/1068769540.db2.gz TXIGDBBJGFZVIS-XHPQRKPJSA-N 0 0 497.533 0.850 20 30 JCEDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000919809870 1068786312 /nfs/dbraw/zinc/78/63/12/1068786312.db2.gz RYTREMFXIJUOKB-UHFFFAOYSA-N 0 0 464.525 0.782 20 30 JCEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919816465 1068773938 /nfs/dbraw/zinc/77/39/38/1068773938.db2.gz DVELYFRDGZEDEP-HKUYNNGSSA-N 0 0 469.585 0.623 20 30 JCEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919816467 1068773978 /nfs/dbraw/zinc/77/39/78/1068773978.db2.gz DVELYFRDGZEDEP-IEBWSBKVSA-N 0 0 469.585 0.623 20 30 JCEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919816469 1068773969 /nfs/dbraw/zinc/77/39/69/1068773969.db2.gz DVELYFRDGZEDEP-MJGOQNOKSA-N 0 0 469.585 0.623 20 30 JCEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919816471 1068774026 /nfs/dbraw/zinc/77/40/26/1068774026.db2.gz DVELYFRDGZEDEP-PKOBYXMFSA-N 0 0 469.585 0.623 20 30 JCEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919817610 1068780175 /nfs/dbraw/zinc/78/01/75/1068780175.db2.gz CCARDVVEOPPXCA-HNNXBMFYSA-N 0 0 466.541 0.525 20 30 JCEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919817611 1068780068 /nfs/dbraw/zinc/78/00/68/1068780068.db2.gz CCARDVVEOPPXCA-OAHLLOKOSA-N 0 0 466.541 0.525 20 30 JCEDRN N#Cc1ccc(CSCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919818129 1068783516 /nfs/dbraw/zinc/78/35/16/1068783516.db2.gz OBQRTSOBILAJBY-KRWDZBQOSA-N 0 0 457.599 0.453 20 30 JCEDRN N#Cc1ccc(CSCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919818130 1068783596 /nfs/dbraw/zinc/78/35/96/1068783596.db2.gz OBQRTSOBILAJBY-QGZVFWFLSA-N 0 0 457.599 0.453 20 30 JCEDRN C=CCc1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1OC ZINC000919818621 1068785451 /nfs/dbraw/zinc/78/54/51/1068785451.db2.gz LSAMGQFMTCYQIU-KRWDZBQOSA-N 0 0 472.585 0.707 20 30 JCEDRN C=CCc1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1OC ZINC000919818622 1068785415 /nfs/dbraw/zinc/78/54/15/1068785415.db2.gz LSAMGQFMTCYQIU-QGZVFWFLSA-N 0 0 472.585 0.707 20 30 JCEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919819533 1068788600 /nfs/dbraw/zinc/78/86/00/1068788600.db2.gz WHJUCROGPUSPNU-KRWDZBQOSA-N 0 0 485.584 0.387 20 30 JCEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919819545 1068788507 /nfs/dbraw/zinc/78/85/07/1068788507.db2.gz WHJUCROGPUSPNU-QGZVFWFLSA-N 0 0 485.584 0.387 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000919833727 1068792773 /nfs/dbraw/zinc/79/27/73/1068792773.db2.gz XCAXQKLUJNZSEE-UHFFFAOYSA-N 0 0 462.553 0.648 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000919839324 1068792344 /nfs/dbraw/zinc/79/23/44/1068792344.db2.gz HQSGHCMOJYYTJR-UHFFFAOYSA-N 0 0 462.553 0.989 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)cc1 ZINC000919846082 1068793508 /nfs/dbraw/zinc/79/35/08/1068793508.db2.gz SIWSFXFXVRJDGA-HAVVHWLPSA-N 0 0 472.527 0.641 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)cc1 ZINC000919846087 1068793238 /nfs/dbraw/zinc/79/32/38/1068793238.db2.gz SIWSFXFXVRJDGA-QJOMJCCJSA-N 0 0 472.527 0.641 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)c1 ZINC000919846599 1068793463 /nfs/dbraw/zinc/79/34/63/1068793463.db2.gz RAOKGFVDAXYOOR-HAVVHWLPSA-N 0 0 472.527 0.641 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)c1 ZINC000919846600 1068793892 /nfs/dbraw/zinc/79/38/92/1068793892.db2.gz RAOKGFVDAXYOOR-QJOMJCCJSA-N 0 0 472.527 0.641 20 30 JCEDRN C#CCN(CC)C(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000919876086 1068794600 /nfs/dbraw/zinc/79/46/00/1068794600.db2.gz HRDZIAZYJMIIJY-UHFFFAOYSA-N 0 0 469.585 0.870 20 30 JCEDRN C=CCn1nnn(CN2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)c1=S ZINC000919936257 1068798655 /nfs/dbraw/zinc/79/86/55/1068798655.db2.gz LRXASQWRPYKSFB-UHFFFAOYSA-N 0 0 455.522 0.876 20 30 JCEDRN CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000919939297 1068799702 /nfs/dbraw/zinc/79/97/02/1068799702.db2.gz BTVQPRORVHHRPM-UHFFFAOYSA-N 0 0 464.504 0.947 20 30 JCEDRN C=CCn1nnn(CN2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1=S ZINC000919939798 1068800153 /nfs/dbraw/zinc/80/01/53/1068800153.db2.gz KPBSBVDXSDEBFI-UHFFFAOYSA-N 0 0 472.618 0.671 20 30 JCEDRN CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1F ZINC000919940005 1068800401 /nfs/dbraw/zinc/80/04/01/1068800401.db2.gz NIRBKKMDIVDRHM-UHFFFAOYSA-N 0 0 487.556 0.796 20 30 JCEDRN CCOC(=O)N1CCN(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 ZINC000919940085 1068800202 /nfs/dbraw/zinc/80/02/02/1068800202.db2.gz OLXONWPJUDHKTN-UHFFFAOYSA-N 0 0 461.548 0.867 20 30 JCEDRN C=CCn1nnn(CN2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)c1=S ZINC000919940609 1068800380 /nfs/dbraw/zinc/80/03/80/1068800380.db2.gz HRNPLUDQSPMWAS-UHFFFAOYSA-N 0 0 456.550 0.956 20 30 JCEDRN CSc1nc(C2CC2)cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000919986340 1068807652 /nfs/dbraw/zinc/80/76/52/1068807652.db2.gz GRLAUKJZNFGFKE-AWEZNQCLSA-N 0 0 484.625 0.827 20 30 JCEDRN CSc1nc(C2CC2)cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000919986344 1068807496 /nfs/dbraw/zinc/80/74/96/1068807496.db2.gz GRLAUKJZNFGFKE-CQSZACIVSA-N 0 0 484.625 0.827 20 30 JCEDRN C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000919986464 1068808068 /nfs/dbraw/zinc/80/80/68/1068808068.db2.gz NLMGTLYFQWSSFY-FZMUQLTDSA-N 0 0 484.596 0.934 20 30 JCEDRN C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000919986466 1068808083 /nfs/dbraw/zinc/80/80/83/1068808083.db2.gz NLMGTLYFQWSSFY-LZCIBIBXSA-N 0 0 484.596 0.934 20 30 JCEDRN C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000919986468 1068808095 /nfs/dbraw/zinc/80/80/95/1068808095.db2.gz NLMGTLYFQWSSFY-SUQGKYDKSA-N 0 0 484.596 0.934 20 30 JCEDRN C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000919986470 1068807940 /nfs/dbraw/zinc/80/79/40/1068807940.db2.gz NLMGTLYFQWSSFY-YEODSOHDSA-N 0 0 484.596 0.934 20 30 JCEDRN Cc1nc(SCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c(C)c1C ZINC000919986645 1068808497 /nfs/dbraw/zinc/80/84/97/1068808497.db2.gz JVVPUAHHMXVEDK-INIZCTEOSA-N 0 0 486.641 0.632 20 30 JCEDRN Cc1nc(SCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c(C)c1C ZINC000919986646 1068808560 /nfs/dbraw/zinc/80/85/60/1068808560.db2.gz JVVPUAHHMXVEDK-MRXNPFEDSA-N 0 0 486.641 0.632 20 30 JCEDRN C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000919988826 1068810532 /nfs/dbraw/zinc/81/05/32/1068810532.db2.gz FYBBLMOOAPOZNH-CVEARBPZSA-N 0 0 468.553 0.825 20 30 JCEDRN C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 ZINC000919988832 1068810545 /nfs/dbraw/zinc/81/05/45/1068810545.db2.gz FYBBLMOOAPOZNH-HOTGVXAUSA-N 0 0 468.553 0.825 20 30 JCEDRN C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000919988836 1068810922 /nfs/dbraw/zinc/81/09/22/1068810922.db2.gz FYBBLMOOAPOZNH-HZPDHXFCSA-N 0 0 468.553 0.825 20 30 JCEDRN C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 ZINC000919988840 1068810736 /nfs/dbraw/zinc/81/07/36/1068810736.db2.gz FYBBLMOOAPOZNH-JKSUJKDBSA-N 0 0 468.553 0.825 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 ZINC000919994067 1068805680 /nfs/dbraw/zinc/80/56/80/1068805680.db2.gz LWEPPNFDISGAHR-UHFFFAOYSA-N 0 0 491.595 0.690 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 ZINC000919994092 1068805834 /nfs/dbraw/zinc/80/58/34/1068805834.db2.gz NMMBBRXGZAZCAW-UHFFFAOYSA-N 0 0 477.568 0.300 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000919994099 1068805963 /nfs/dbraw/zinc/80/59/63/1068805963.db2.gz NYHCCCSZUZMVRH-UHFFFAOYSA-N 0 0 476.580 0.787 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000919994418 1068805813 /nfs/dbraw/zinc/80/58/13/1068805813.db2.gz YGWJLDVBVNOYOJ-UHFFFAOYSA-N 0 0 476.580 0.787 20 30 JCEDRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000920000522 1068810637 /nfs/dbraw/zinc/81/06/37/1068810637.db2.gz FSTPJILSBUJJOK-HZPDHXFCSA-N 0 0 450.561 0.895 20 30 JCEDRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000920000523 1068810606 /nfs/dbraw/zinc/81/06/06/1068810606.db2.gz FSTPJILSBUJJOK-JKSUJKDBSA-N 0 0 450.561 0.895 20 30 JCEDRN COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000920014887 1068812584 /nfs/dbraw/zinc/81/25/84/1068812584.db2.gz NWAQSSSXMOYIDK-UHFFFAOYSA-N 0 0 461.496 0.944 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000920023939 1068814855 /nfs/dbraw/zinc/81/48/55/1068814855.db2.gz XYIAEFWBBYEKJX-JRMCHAMMSA-N 0 0 453.543 0.236 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000920023940 1068814918 /nfs/dbraw/zinc/81/49/18/1068814918.db2.gz XYIAEFWBBYEKJX-OSICKASQSA-N 0 0 453.543 0.236 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 ZINC000920023941 1068814948 /nfs/dbraw/zinc/81/49/48/1068814948.db2.gz XYIAEFWBBYEKJX-ROFLEHJCSA-N 0 0 453.543 0.236 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 ZINC000920023942 1068814883 /nfs/dbraw/zinc/81/48/83/1068814883.db2.gz XYIAEFWBBYEKJX-SONCPKABSA-N 0 0 453.543 0.236 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000920027897 1068816667 /nfs/dbraw/zinc/81/66/67/1068816667.db2.gz JEDKPJAZGFFBKT-UHFFFAOYSA-N 0 0 486.503 0.907 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000920037483 1068820391 /nfs/dbraw/zinc/82/03/91/1068820391.db2.gz JOSUZJUYUMMURI-UHFFFAOYSA-N 0 0 466.497 0.215 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000920037800 1068821029 /nfs/dbraw/zinc/82/10/29/1068821029.db2.gz RKKHAFFUHSHKFC-UHFFFAOYSA-N 0 0 466.497 0.215 20 30 JCEDRN O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000920095867 1068826676 /nfs/dbraw/zinc/82/66/76/1068826676.db2.gz PPNBSGSFGQZJKR-UHFFFAOYSA-N 0 0 452.496 0.586 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920106944 1068830227 /nfs/dbraw/zinc/83/02/27/1068830227.db2.gz KFAKPMOZSXEYHB-PBHICJAKSA-N 0 0 452.489 0.857 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920106945 1068830422 /nfs/dbraw/zinc/83/04/22/1068830422.db2.gz KFAKPMOZSXEYHB-RHSMWYFYSA-N 0 0 452.489 0.857 20 30 JCEDRN COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920106946 1068830286 /nfs/dbraw/zinc/83/02/86/1068830286.db2.gz KFAKPMOZSXEYHB-WMLDXEAASA-N 0 0 452.489 0.857 20 30 JCEDRN COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920106947 1068830556 /nfs/dbraw/zinc/83/05/56/1068830556.db2.gz KFAKPMOZSXEYHB-YOEHRIQHSA-N 0 0 452.489 0.857 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 ZINC000920186962 1068835290 /nfs/dbraw/zinc/83/52/90/1068835290.db2.gz ASGVMSRVYRJJAN-UHFFFAOYSA-N 0 0 471.543 0.056 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 ZINC000920187144 1068835019 /nfs/dbraw/zinc/83/50/19/1068835019.db2.gz DVQKRSCNYVOGJZ-UHFFFAOYSA-N 0 0 471.543 0.056 20 30 JCEDRN C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC ZINC000920200692 1068838805 /nfs/dbraw/zinc/83/88/05/1068838805.db2.gz KYVZOQMITNDAIO-UHFFFAOYSA-N 0 0 450.561 0.974 20 30 JCEDRN C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 ZINC000920200916 1068838992 /nfs/dbraw/zinc/83/89/92/1068838992.db2.gz STTCUPCXSNUFNY-UHFFFAOYSA-N 0 0 463.604 0.889 20 30 JCEDRN C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 ZINC000920200985 1068839065 /nfs/dbraw/zinc/83/90/65/1068839065.db2.gz WNGRDISTCXLAHY-UHFFFAOYSA-N 0 0 450.561 0.974 20 30 JCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)cc1 ZINC000920245779 1068842845 /nfs/dbraw/zinc/84/28/45/1068842845.db2.gz UDLXMMASEHIZDA-MFKUBSTISA-N 0 0 473.515 0.746 20 30 JCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)cc1 ZINC000920245786 1068842798 /nfs/dbraw/zinc/84/27/98/1068842798.db2.gz UDLXMMASEHIZDA-MYYYXRDXSA-N 0 0 473.515 0.746 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000920252050 1068839961 /nfs/dbraw/zinc/83/99/61/1068839961.db2.gz GRUSKEUBXBJWHW-UHFFFAOYSA-N 0 0 463.604 0.865 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000920252888 1068840249 /nfs/dbraw/zinc/84/02/49/1068840249.db2.gz QWZRZHWWSGRIKA-CMDGGOBGSA-N 0 0 455.559 0.346 20 30 JCEDRN C=CCNC(=O)CN1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000920252895 1068840011 /nfs/dbraw/zinc/84/00/11/1068840011.db2.gz QWZRZHWWSGRIKA-HJWRWDBZSA-N 0 0 455.559 0.346 20 30 JCEDRN Cc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000920268512 1068845360 /nfs/dbraw/zinc/84/53/60/1068845360.db2.gz OBGKJVNOFYYMBY-CYBMUJFWSA-N 0 0 451.530 0.618 20 30 JCEDRN Cc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000920268515 1068845581 /nfs/dbraw/zinc/84/55/81/1068845581.db2.gz OBGKJVNOFYYMBY-ZDUSSCGKSA-N 0 0 451.530 0.618 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000920294450 1068849026 /nfs/dbraw/zinc/84/90/26/1068849026.db2.gz IFUYIZOBSKOOIG-HOCLYGCPSA-N 0 0 456.590 0.680 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000920294451 1068849093 /nfs/dbraw/zinc/84/90/93/1068849093.db2.gz IFUYIZOBSKOOIG-ZBFHGGJFSA-N 0 0 456.590 0.680 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000920301502 1068846206 /nfs/dbraw/zinc/84/62/06/1068846206.db2.gz MPPZDRGKUNRMFE-AWEZNQCLSA-N 0 0 461.496 0.790 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000920301504 1068846092 /nfs/dbraw/zinc/84/60/92/1068846092.db2.gz MPPZDRGKUNRMFE-CQSZACIVSA-N 0 0 461.496 0.790 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000920303426 1068846159 /nfs/dbraw/zinc/84/61/59/1068846159.db2.gz TVCRWAALRTVXSR-GOSISDBHSA-N 0 0 463.604 0.809 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000920303427 1068846019 /nfs/dbraw/zinc/84/60/19/1068846019.db2.gz TVCRWAALRTVXSR-SFHVURJKSA-N 0 0 463.604 0.809 20 30 JCEDRN C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000920304643 1068846496 /nfs/dbraw/zinc/84/64/96/1068846496.db2.gz VROBTLCVGKLXSU-OAHLLOKOSA-N 0 0 492.579 0.451 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000920346371 1068849667 /nfs/dbraw/zinc/84/96/67/1068849667.db2.gz CTCSVEWHFXPEGY-KRWDZBQOSA-N 0 0 456.524 0.950 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000920346372 1068849761 /nfs/dbraw/zinc/84/97/61/1068849761.db2.gz CTCSVEWHFXPEGY-QGZVFWFLSA-N 0 0 456.524 0.950 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNC(=S)NCCN3CCOCC3)CC2)cc1 ZINC000920359510 1068854459 /nfs/dbraw/zinc/85/44/59/1068854459.db2.gz BCTKDOOSSDVMMP-UHFFFAOYSA-N 0 0 482.632 0.582 20 30 JCEDRN Cc1c(NC(=S)NN=Cc2nc3c(c(=O)[nH]c(=O)n3C)n2C)c(=O)n(-c2ccccc2)n1C ZINC000920359586 1068854086 /nfs/dbraw/zinc/85/40/86/1068854086.db2.gz CNXYNGHMOGKHAR-UHFFFAOYSA-N 0 0 467.515 0.491 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCC(=NNC(=S)NCCN3CCOCC3)CC2)cc1 ZINC000920360147 1068854017 /nfs/dbraw/zinc/85/40/17/1068854017.db2.gz LMGDPMYPSCUWHB-UHFFFAOYSA-N 0 0 455.606 0.632 20 30 JCEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N=NCc3nc4c(c(=O)[nH]c(=O)n4C)n3C)nc2)C1 ZINC000920368307 1068854298 /nfs/dbraw/zinc/85/42/98/1068854298.db2.gz MLUMHPXGZIYAPA-BETUJISGSA-N 0 0 474.547 0.880 20 30 JCEDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N=NCc3nc4c(c(=O)[nH]c(=O)n4C)n3C)nc2)C1 ZINC000920368313 1068854044 /nfs/dbraw/zinc/85/40/44/1068854044.db2.gz MLUMHPXGZIYAPA-CHWSQXEVSA-N 0 0 474.547 0.880 20 30 JCEDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N=NCc3nc4c(c(=O)[nH]c(=O)n4C)n3C)nc2)C1 ZINC000920368317 1068854140 /nfs/dbraw/zinc/85/41/40/1068854140.db2.gz MLUMHPXGZIYAPA-STQMWFEESA-N 0 0 474.547 0.880 20 30 JCEDRN CN(C)C(=O)COc1ccccc1CN=Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000920369216 1068854315 /nfs/dbraw/zinc/85/43/15/1068854315.db2.gz VBWXIEJQXGZDMW-UHFFFAOYSA-N 0 0 460.560 0.931 20 30 JCEDRN CCOCCCn1c(=O)c2ccccc2nc1NN=Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000920370153 1068854391 /nfs/dbraw/zinc/85/43/91/1068854391.db2.gz SIDIGZQJSRYKEN-UHFFFAOYSA-N 0 0 452.475 0.955 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N=Nc3ccc(S(N)(=O)=O)cn3)CC2)cc1 ZINC000920372501 1068854408 /nfs/dbraw/zinc/85/44/08/1068854408.db2.gz OATQLVCYFYUNLS-UHFFFAOYSA-N 0 0 466.545 0.940 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@@H]1CCCO1 ZINC000920393937 1068858548 /nfs/dbraw/zinc/85/85/48/1068858548.db2.gz BRLADGWNJKLZFD-HNNXBMFYSA-N 0 0 498.517 0.573 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@H]1CCCO1 ZINC000920393938 1068859035 /nfs/dbraw/zinc/85/90/35/1068859035.db2.gz BRLADGWNJKLZFD-OAHLLOKOSA-N 0 0 498.517 0.573 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCC ZINC000920393957 1068859023 /nfs/dbraw/zinc/85/90/23/1068859023.db2.gz CGTYPZHNXBHRAB-UHFFFAOYSA-N 0 0 456.480 0.804 20 30 JCEDRN C=CCn1c(=O)c(=Cc2cnc(C(C)(C)C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000920394016 1068858875 /nfs/dbraw/zinc/85/88/75/1068858875.db2.gz DGZPAXNQTPKFSD-UHFFFAOYSA-N 0 0 487.651 0.801 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)(C)C)n2)c(=O)n1CCOC ZINC000920394681 1068858993 /nfs/dbraw/zinc/85/89/93/1068858993.db2.gz ADHXKDRNMRPVFL-UHFFFAOYSA-N 0 0 450.586 0.576 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000920394743 1068858782 /nfs/dbraw/zinc/85/87/82/1068858782.db2.gz CCERGPZYGRQIOV-UHFFFAOYSA-N 0 0 472.479 0.017 20 30 JCEDRN CC(C)(C)c1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)s1 ZINC000920394783 1068858964 /nfs/dbraw/zinc/85/89/64/1068858964.db2.gz FBGQQRJZEDBZMN-UHFFFAOYSA-N 0 0 487.651 0.778 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)(C)C)s2)c(=O)n1CCN1CCOCC1 ZINC000920394824 1068859002 /nfs/dbraw/zinc/85/90/02/1068859002.db2.gz GSMMSGCTYYIWTB-UHFFFAOYSA-N 0 0 487.651 0.801 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOC ZINC000920394825 1068859063 /nfs/dbraw/zinc/85/90/63/1068859063.db2.gz GTBJZLDOQMXSGD-UHFFFAOYSA-N 0 0 474.495 0.265 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOC ZINC000920394877 1068858947 /nfs/dbraw/zinc/85/89/47/1068858947.db2.gz HJVKEEOBRDJKBK-UHFFFAOYSA-N 0 0 472.479 0.041 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC=C ZINC000920394952 1068858794 /nfs/dbraw/zinc/85/87/94/1068858794.db2.gz XXHPAVLYBCNISA-UHFFFAOYSA-N 0 0 454.464 0.580 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C(C)(C)C)s3)c(=O)n2CCOC)CC1 ZINC000920394988 1068859045 /nfs/dbraw/zinc/85/90/45/1068859045.db2.gz JHJYGGGWPIVOCS-UHFFFAOYSA-N 0 0 489.667 0.977 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)(C)C)s2)c(=O)n1CCOC ZINC000920394995 1068858822 /nfs/dbraw/zinc/85/88/22/1068858822.db2.gz JIHFLUPVSONSCD-UHFFFAOYSA-N 0 0 464.613 0.966 20 30 JCEDRN COCCn1c(=O)c(=Cc2ccccc2OCC2CC2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000920395060 1068858808 /nfs/dbraw/zinc/85/88/08/1068858808.db2.gz LFTJPVOJHJOVPM-UHFFFAOYSA-N 0 0 469.563 0.707 20 30 JCEDRN COCCn1c(=O)c(=Cc2cnc(C(C)(C)C)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000920395293 1068858932 /nfs/dbraw/zinc/85/89/32/1068858932.db2.gz MXKMSMLBQWSCPI-UHFFFAOYSA-N 0 0 462.597 0.672 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC(C)C ZINC000920395358 1068858831 /nfs/dbraw/zinc/85/88/31/1068858831.db2.gz OJTUHIWKLONKQY-UHFFFAOYSA-N 0 0 474.495 0.263 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)(C)C)n2)c(=O)n1CCOC ZINC000920395382 1068858980 /nfs/dbraw/zinc/85/89/80/1068858980.db2.gz PIPDIKCCHYKCMU-UHFFFAOYSA-N 0 0 464.613 0.966 20 30 JCEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOC ZINC000920395384 1068858860 /nfs/dbraw/zinc/85/88/60/1068858860.db2.gz PLEJOLPEVFYMHP-UHFFFAOYSA-N 0 0 488.522 0.655 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)(C)C)s2)c(=O)n1CCOC ZINC000920395484 1068858846 /nfs/dbraw/zinc/85/88/46/1068858846.db2.gz UGTLRKZQVHUTRJ-UHFFFAOYSA-N 0 0 450.586 0.576 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NCC(C)C ZINC000920395586 1068859010 /nfs/dbraw/zinc/85/90/10/1068859010.db2.gz XRWQPSNDGDRUMT-UHFFFAOYSA-N 0 0 488.522 0.511 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)C(C)C ZINC000920395604 1068859527 /nfs/dbraw/zinc/85/95/27/1068859527.db2.gz XVOCJOWRCDEOKV-UHFFFAOYSA-N 0 0 459.480 0.964 20 30 JCEDRN COCCn1c(=O)c(=Cc2csc(C(C)(C)C)n2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000920395619 1068859327 /nfs/dbraw/zinc/85/93/27/1068859327.db2.gz YBTATPYBLSWJMI-UHFFFAOYSA-N 0 0 462.597 0.672 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)N1CCCC1 ZINC000920395644 1068859272 /nfs/dbraw/zinc/85/92/72/1068859272.db2.gz YUUQDUOKBAMIEJ-UHFFFAOYSA-N 0 0 486.506 0.361 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C(C)(C)C)n3)c(=O)n2CCOC)CC1 ZINC000920395653 1068859475 /nfs/dbraw/zinc/85/94/75/1068859475.db2.gz ZQJQERPMDDAPOD-UHFFFAOYSA-N 0 0 489.667 0.977 20 30 JCEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)cs1 ZINC000920395660 1068859369 /nfs/dbraw/zinc/85/93/69/1068859369.db2.gz ZYKCPLJXMRUARM-UHFFFAOYSA-N 0 0 461.613 0.242 20 30 JCEDRN CC(C)(C)c1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)s1 ZINC000920396003 1068859610 /nfs/dbraw/zinc/85/96/10/1068859610.db2.gz VJMXYSNQKNJINR-UHFFFAOYSA-N 0 0 487.651 0.950 20 30 JCEDRN COC(=O)CCCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C#N ZINC000920396055 1068859445 /nfs/dbraw/zinc/85/94/45/1068859445.db2.gz YOMPUBVJORDOAL-UHFFFAOYSA-N 0 0 456.436 0.569 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc4c(c3)CCC4)c2=O)cn1 ZINC000920396488 1068859251 /nfs/dbraw/zinc/85/92/51/1068859251.db2.gz CIPBXBGGANDPSU-UHFFFAOYSA-N 0 0 461.547 0.483 20 30 JCEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 ZINC000920396738 1068859708 /nfs/dbraw/zinc/85/97/08/1068859708.db2.gz NASGRRAPROREDN-HNNXBMFYSA-N 0 0 463.563 0.775 20 30 JCEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 ZINC000920396748 1068859461 /nfs/dbraw/zinc/85/94/61/1068859461.db2.gz NASGRRAPROREDN-OAHLLOKOSA-N 0 0 463.563 0.775 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 ZINC000920396809 1068859505 /nfs/dbraw/zinc/85/95/05/1068859505.db2.gz PWBPCCWAMCFZPG-UHFFFAOYSA-N 0 0 454.464 0.729 20 30 JCEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccc3c(c2)CCC3)CC1 ZINC000920396979 1068859577 /nfs/dbraw/zinc/85/95/77/1068859577.db2.gz UIDQEFJMXIUFAO-UHFFFAOYSA-N 0 0 488.617 0.788 20 30 JCEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 ZINC000920397033 1068859630 /nfs/dbraw/zinc/85/96/30/1068859630.db2.gz UXNHLCKPKMEURM-UHFFFAOYSA-N 0 0 463.563 0.777 20 30 JCEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)OC(F)(F)O4)c2=O)cn1 ZINC000920398358 1068854208 /nfs/dbraw/zinc/85/42/08/1068854208.db2.gz FEQDWYBOTPCJJZ-UHFFFAOYSA-N 0 0 471.445 0.736 20 30 JCEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000920398985 1068855064 /nfs/dbraw/zinc/85/50/64/1068855064.db2.gz KTDAVXYWTIOLGL-UHFFFAOYSA-N 0 0 473.461 0.982 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000920399122 1068854690 /nfs/dbraw/zinc/85/46/90/1068854690.db2.gz NCXLURKROJMHIU-UHFFFAOYSA-N 0 0 471.445 0.759 20 30 JCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000920399558 1068854741 /nfs/dbraw/zinc/85/47/41/1068854741.db2.gz SJDHRQRBSOEVPN-UHFFFAOYSA-N 0 0 489.460 0.220 20 30 JCEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000920399965 1068855941 /nfs/dbraw/zinc/85/59/41/1068855941.db2.gz XMTGYACGOJKRTD-UHFFFAOYSA-N 0 0 473.461 0.983 20 30 JCEDRN Cc1sc(=O)n(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C ZINC000920412663 1068857065 /nfs/dbraw/zinc/85/70/65/1068857065.db2.gz BRBYUJSNMBMWDM-UHFFFAOYSA-N 0 0 478.552 0.475 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccsc2)CC1 ZINC000920412995 1068856991 /nfs/dbraw/zinc/85/69/91/1068856991.db2.gz MRCBZUUVZFXREJ-UHFFFAOYSA-N 0 0 476.536 0.426 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920416284 1068858009 /nfs/dbraw/zinc/85/80/09/1068858009.db2.gz UFGBQGVJLZCZAS-CYBMUJFWSA-N 0 0 454.461 0.551 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920416285 1068857898 /nfs/dbraw/zinc/85/78/98/1068857898.db2.gz UFGBQGVJLZCZAS-ZDUSSCGKSA-N 0 0 454.461 0.551 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920417160 1068858496 /nfs/dbraw/zinc/85/84/96/1068858496.db2.gz YSTWGPIDNBABGM-KBPBESRZSA-N 0 0 468.488 0.939 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920417161 1068858358 /nfs/dbraw/zinc/85/83/58/1068858358.db2.gz YSTWGPIDNBABGM-KGLIPLIRSA-N 0 0 468.488 0.939 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920417162 1068858394 /nfs/dbraw/zinc/85/83/94/1068858394.db2.gz YSTWGPIDNBABGM-UONOGXRCSA-N 0 0 468.488 0.939 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920417163 1068858346 /nfs/dbraw/zinc/85/83/46/1068858346.db2.gz YSTWGPIDNBABGM-ZIAGYGMSSA-N 0 0 468.488 0.939 20 30 JCEDRN O=C(CN1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1)N1CCCC1 ZINC000920444114 1068860422 /nfs/dbraw/zinc/86/04/22/1068860422.db2.gz VVCCTDXIXOIOAY-UHFFFAOYSA-N 0 0 461.588 0.662 20 30 JCEDRN CN1CCN(C(=O)C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000920451171 1068862375 /nfs/dbraw/zinc/86/23/75/1068862375.db2.gz IDCQAPOOWVSFBS-UHFFFAOYSA-N 0 0 461.588 0.518 20 30 JCEDRN CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000920456126 1068863902 /nfs/dbraw/zinc/86/39/02/1068863902.db2.gz WTMDCBXJZUGVBF-GOSISDBHSA-N 0 0 463.604 0.810 20 30 JCEDRN CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000920456127 1068863952 /nfs/dbraw/zinc/86/39/52/1068863952.db2.gz WTMDCBXJZUGVBF-SFHVURJKSA-N 0 0 463.604 0.810 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000920462198 1068864883 /nfs/dbraw/zinc/86/48/83/1068864883.db2.gz YOWPRIJUTAGQJY-RDJZCZTQSA-N 0 0 470.617 0.928 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000920462202 1068864608 /nfs/dbraw/zinc/86/46/08/1068864608.db2.gz YOWPRIJUTAGQJY-WBVHZDCISA-N 0 0 470.617 0.928 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1F ZINC000920463198 1068864828 /nfs/dbraw/zinc/86/48/28/1068864828.db2.gz AUEIWIXPYYCAGE-UHFFFAOYSA-N 0 0 452.552 0.916 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000920466200 1068864052 /nfs/dbraw/zinc/86/40/52/1068864052.db2.gz FPDVPSJEISFKQS-HNNXBMFYSA-N 0 0 472.523 0.556 20 30 JCEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000920466202 1068864115 /nfs/dbraw/zinc/86/41/15/1068864115.db2.gz FPDVPSJEISFKQS-OAHLLOKOSA-N 0 0 472.523 0.556 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000920466273 1068867047 /nfs/dbraw/zinc/86/70/47/1068867047.db2.gz GVNSRGOAVNAOGP-AWEZNQCLSA-N 0 0 458.496 0.166 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000920466275 1068867013 /nfs/dbraw/zinc/86/70/13/1068867013.db2.gz GVNSRGOAVNAOGP-CQSZACIVSA-N 0 0 458.496 0.166 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000920467085 1068867761 /nfs/dbraw/zinc/86/77/61/1068867761.db2.gz MVFDWJMIGOOEAZ-KRWDZBQOSA-N 0 0 457.508 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000920467086 1068867778 /nfs/dbraw/zinc/86/77/78/1068867778.db2.gz MVFDWJMIGOOEAZ-QGZVFWFLSA-N 0 0 457.508 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000920467446 1068867700 /nfs/dbraw/zinc/86/77/00/1068867700.db2.gz QWRZCZMEMSFPEK-KRWDZBQOSA-N 0 0 457.508 0.653 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000920467447 1068867739 /nfs/dbraw/zinc/86/77/39/1068867739.db2.gz QWRZCZMEMSFPEK-QGZVFWFLSA-N 0 0 457.508 0.653 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000920467554 1068867541 /nfs/dbraw/zinc/86/75/41/1068867541.db2.gz RPEHDXZIEDJCBF-INIZCTEOSA-N 0 0 486.550 0.946 20 30 JCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000920467557 1068867768 /nfs/dbraw/zinc/86/77/68/1068867768.db2.gz RPEHDXZIEDJCBF-MRXNPFEDSA-N 0 0 486.550 0.946 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H](C)N=C3NS(=O)(=O)c4ccccc43)C2=O)cc1 ZINC000920524490 1068871026 /nfs/dbraw/zinc/87/10/26/1068871026.db2.gz AFTVNICQQDPJLN-GTJPDFRWSA-N 0 0 471.495 0.621 20 30 JCEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H](C)N=C3NS(=O)(=O)c4ccccc43)C2=O)cc1 ZINC000920524491 1068870894 /nfs/dbraw/zinc/87/08/94/1068870894.db2.gz AFTVNICQQDPJLN-QKVFXAPYSA-N 0 0 471.495 0.621 20 30 JCEDRN CC(=O)NC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCCC1 ZINC000920534626 1068868009 /nfs/dbraw/zinc/86/80/09/1068868009.db2.gz URSGPVLXEKLMSD-UHFFFAOYSA-N 0 0 476.555 0.773 20 30 JCEDRN Cc1nn2cccnc2c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000920537103 1068868741 /nfs/dbraw/zinc/86/87/41/1068868741.db2.gz JQVIHFHVBUKMNK-UHFFFAOYSA-N 0 0 468.495 0.599 20 30 JCEDRN C[C@@H](C(=O)N(C)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)n1cccn1 ZINC000920547629 1068876198 /nfs/dbraw/zinc/87/61/98/1068876198.db2.gz KBBUOCMRBSMQCA-INIZCTEOSA-N 0 0 495.496 0.914 20 30 JCEDRN C[C@H](C(=O)N(C)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)n1cccn1 ZINC000920547898 1068875903 /nfs/dbraw/zinc/87/59/03/1068875903.db2.gz KBBUOCMRBSMQCA-MRXNPFEDSA-N 0 0 495.496 0.914 20 30 JCEDRN CNC(=O)COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1OC ZINC000920588936 1068879247 /nfs/dbraw/zinc/87/92/47/1068879247.db2.gz UQPLYYCNAVMWMX-UHFFFAOYSA-N 0 0 471.470 0.494 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2CCC(NC(N)=O)CC2)CC1 ZINC000920601263 1068882579 /nfs/dbraw/zinc/88/25/79/1068882579.db2.gz ZLTMQMNYJDXLGB-UHFFFAOYSA-N 0 0 477.543 0.161 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C(N)=O)cs2)CC1 ZINC000920603075 1068883006 /nfs/dbraw/zinc/88/30/06/1068883006.db2.gz XNVBJYGYIXMOLJ-UHFFFAOYSA-N 0 0 462.509 0.409 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000920604754 1068884725 /nfs/dbraw/zinc/88/47/25/1068884725.db2.gz MLDJWFYPHOWLKQ-UHFFFAOYSA-N 0 0 487.494 0.955 20 30 JCEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000920604984 1068877830 /nfs/dbraw/zinc/87/78/30/1068877830.db2.gz MGRRRAWCSBJSOJ-UHFFFAOYSA-N 0 0 484.513 0.698 20 30 JCEDRN Cn1c(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000920605538 1068890367 /nfs/dbraw/zinc/89/03/67/1068890367.db2.gz RETZDZJHRTYBIY-UHFFFAOYSA-N 0 0 476.411 0.919 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000920613228 1068886431 /nfs/dbraw/zinc/88/64/31/1068886431.db2.gz DSLSADIKNNYNCJ-GOSISDBHSA-N 0 0 450.561 0.998 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000920613230 1068886471 /nfs/dbraw/zinc/88/64/71/1068886471.db2.gz DSLSADIKNNYNCJ-SFHVURJKSA-N 0 0 450.561 0.998 20 30 JCEDRN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCC(=O)N(CCC#N)CCC#N)CC2)c1 ZINC000920613834 1068886991 /nfs/dbraw/zinc/88/69/91/1068886991.db2.gz KTOOWLXAVOJVOJ-UHFFFAOYSA-N 0 0 461.544 0.646 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000920614816 1068887593 /nfs/dbraw/zinc/88/75/93/1068887593.db2.gz ROPUWICUEOYMCX-INIZCTEOSA-N 0 0 452.533 0.390 20 30 JCEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000920614819 1068887769 /nfs/dbraw/zinc/88/77/69/1068887769.db2.gz ROPUWICUEOYMCX-MRXNPFEDSA-N 0 0 452.533 0.390 20 30 JCEDRN CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000920627727 1068903749 /nfs/dbraw/zinc/90/37/49/1068903749.db2.gz ZGZCSFFUKIBACF-UHFFFAOYSA-N 0 0 486.506 0.912 20 30 JCEDRN CCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000920629409 1068904974 /nfs/dbraw/zinc/90/49/74/1068904974.db2.gz WJDHYKFFZAQCLY-UHFFFAOYSA-N 0 0 450.473 0.823 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccc2OCC#N)CC1 ZINC000920634711 1068894113 /nfs/dbraw/zinc/89/41/13/1068894113.db2.gz ZNKXCZUBLMRFFH-UHFFFAOYSA-N 0 0 462.484 0.884 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)o1 ZINC000920635266 1068894479 /nfs/dbraw/zinc/89/44/79/1068894479.db2.gz FOJOVYLGEBFTIN-UHFFFAOYSA-N 0 0 463.472 0.437 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccc2OCCO)CC1 ZINC000920641273 1068897179 /nfs/dbraw/zinc/89/71/79/1068897179.db2.gz MSBCPCDFCIIIMS-UHFFFAOYSA-N 0 0 473.507 0.619 20 30 JCEDRN CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)nn1 ZINC000920641906 1068898290 /nfs/dbraw/zinc/89/82/90/1068898290.db2.gz QIZOWHOAGFSIMW-HNNXBMFYSA-N 0 0 483.529 0.893 20 30 JCEDRN CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)nn1 ZINC000920641907 1068898275 /nfs/dbraw/zinc/89/82/75/1068898275.db2.gz QIZOWHOAGFSIMW-OAHLLOKOSA-N 0 0 483.529 0.893 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3nc(S(C)(=O)=O)n4ccccc34)CC2)o1 ZINC000920643577 1068900401 /nfs/dbraw/zinc/90/04/01/1068900401.db2.gz JTUWLWFSBILIPT-UHFFFAOYSA-N 0 0 472.483 0.412 20 30 JCEDRN COc1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(N)c(OC)c1OC ZINC000920645112 1068901140 /nfs/dbraw/zinc/90/11/40/1068901140.db2.gz JCMWFTBMHIEXAT-UHFFFAOYSA-N 0 0 459.459 0.968 20 30 JCEDRN Cc1nn(C)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] ZINC000920661635 1068906701 /nfs/dbraw/zinc/90/67/01/1068906701.db2.gz DPOBWWVZZCJOPG-UHFFFAOYSA-N 0 0 476.471 0.198 20 30 JCEDRN C=CCNC(=O)NC(=O)COC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000920681607 1068908907 /nfs/dbraw/zinc/90/89/07/1068908907.db2.gz JAZPUXJFAHOGRI-UHFFFAOYSA-N 0 0 463.516 0.624 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)o1 ZINC000920696287 1068914373 /nfs/dbraw/zinc/91/43/73/1068914373.db2.gz DPSGBBDISIABEK-UHFFFAOYSA-N 0 0 466.454 0.518 20 30 JCEDRN Cn1c2ccc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2[nH]c1=O ZINC000920698476 1068915061 /nfs/dbraw/zinc/91/50/61/1068915061.db2.gz INYXBQSZVHZGDK-UHFFFAOYSA-N 0 0 483.506 0.840 20 30 JCEDRN COC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000920713217 1068915481 /nfs/dbraw/zinc/91/54/81/1068915481.db2.gz AVUQBQZXZJRVAJ-KRWDZBQOSA-N 0 0 480.543 0.705 20 30 JCEDRN COC(=O)N[C@H](CC(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000920713218 1068915995 /nfs/dbraw/zinc/91/59/95/1068915995.db2.gz AVUQBQZXZJRVAJ-QGZVFWFLSA-N 0 0 480.543 0.705 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000920718530 1068918858 /nfs/dbraw/zinc/91/88/58/1068918858.db2.gz XNOBXQOEUKOQGJ-UHFFFAOYSA-N 0 0 486.506 0.112 20 30 JCEDRN C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000920731030 1068920519 /nfs/dbraw/zinc/92/05/19/1068920519.db2.gz LGOMBIMKMYOFTG-UHFFFAOYSA-N 0 0 454.501 0.427 20 30 JCEDRN C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000920731033 1068920415 /nfs/dbraw/zinc/92/04/15/1068920415.db2.gz LJMCGFUEKZJWBO-UHFFFAOYSA-N 0 0 468.528 0.817 20 30 JCEDRN C#CCCN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC1 ZINC000920766665 1068922596 /nfs/dbraw/zinc/92/25/96/1068922596.db2.gz CWRZWTICJDZNHR-UHFFFAOYSA-N 0 0 473.599 0.694 20 30 JCEDRN C#CCCN1CCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)CC1 ZINC000920766944 1068922385 /nfs/dbraw/zinc/92/23/85/1068922385.db2.gz SDLVXKIYVGPAKE-UHFFFAOYSA-N 0 0 478.553 0.222 20 30 JCEDRN COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(CCN3CCOCC3)c1=O)OCO2 ZINC000920773207 1068923160 /nfs/dbraw/zinc/92/31/60/1068923160.db2.gz KXUFMJUKQWMPSN-UHFFFAOYSA-N 0 0 484.534 0.023 20 30 JCEDRN COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c1=O)OCO2 ZINC000920773355 1068923102 /nfs/dbraw/zinc/92/31/02/1068923102.db2.gz RMAUBLMMFSNAFL-INIZCTEOSA-N 0 0 455.492 0.869 20 30 JCEDRN COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c1=O)OCO2 ZINC000920773356 1068923367 /nfs/dbraw/zinc/92/33/67/1068923367.db2.gz RMAUBLMMFSNAFL-MRXNPFEDSA-N 0 0 455.492 0.869 20 30 JCEDRN COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@@H](C)N=C3NS(=O)(=O)c4ccccc43)C2=O)c1 ZINC000920815408 1068925326 /nfs/dbraw/zinc/92/53/26/1068925326.db2.gz DPJSDJAFJBZBGE-GTJPDFRWSA-N 0 0 471.495 0.621 20 30 JCEDRN COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@H](C)N=C3NS(=O)(=O)c4ccccc43)C2=O)c1 ZINC000920815412 1068925499 /nfs/dbraw/zinc/92/54/99/1068925499.db2.gz DPJSDJAFJBZBGE-QKVFXAPYSA-N 0 0 471.495 0.621 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000920823466 1068923207 /nfs/dbraw/zinc/92/32/07/1068923207.db2.gz LUGOTNISSBVORE-SFHVURJKSA-N 0 0 477.568 0.954 20 30 JCEDRN N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CCN1CCOCC1 ZINC000920832814 1068925982 /nfs/dbraw/zinc/92/59/82/1068925982.db2.gz BSGKEECEAHBWCU-UHFFFAOYSA-N 0 0 477.449 0.778 20 30 JCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CCOC ZINC000920832823 1068925956 /nfs/dbraw/zinc/92/59/56/1068925956.db2.gz CUYPRRHFCNRPJO-UHFFFAOYSA-N 0 0 480.449 0.871 20 30 JCEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1CCOC ZINC000920832940 1068925973 /nfs/dbraw/zinc/92/59/73/1068925973.db2.gz QQKAPRZRPADSAT-UHFFFAOYSA-N 0 0 454.411 0.315 20 30 JCEDRN COCCn1c(=O)c(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1=C(C#N)C(=O)NC1CC1 ZINC000920832945 1068926197 /nfs/dbraw/zinc/92/61/97/1068926197.db2.gz RINSNVUYXXUGMY-UHFFFAOYSA-N 0 0 480.449 0.847 20 30 JCEDRN Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=S)n1CC(=O)N(C)C ZINC000920834156 1068926156 /nfs/dbraw/zinc/92/61/56/1068926156.db2.gz FEADSFUGAYZSDX-UHFFFAOYSA-N 0 0 463.589 0.646 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)c1=O ZINC000920835248 1068926752 /nfs/dbraw/zinc/92/67/52/1068926752.db2.gz XKSJQJSJSMUYIX-UHFFFAOYSA-N 0 0 459.934 0.542 20 30 JCEDRN Cn1c2ncn(CCOC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000920838421 1068926775 /nfs/dbraw/zinc/92/67/75/1068926775.db2.gz ATHVDVHGLCCYFO-UHFFFAOYSA-N 0 0 492.452 0.976 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000920845330 1068927096 /nfs/dbraw/zinc/92/70/96/1068927096.db2.gz RBVRSVSYPKHTLH-UHFFFAOYSA-N 0 0 471.539 0.426 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(OCCN2CCOCC2)c1 ZINC000920863651 1068925471 /nfs/dbraw/zinc/92/54/71/1068925471.db2.gz UEZNUKBIFNZZJX-UHFFFAOYSA-N 0 0 458.540 0.753 20 30 JCEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000920904785 1068929676 /nfs/dbraw/zinc/92/96/76/1068929676.db2.gz IBFHJJPQIDQTMI-UHFFFAOYSA-N 0 0 456.415 0.496 20 30 JCEDRN COCc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 ZINC000920904885 1068929457 /nfs/dbraw/zinc/92/94/57/1068929457.db2.gz FERUOTBZWBOEGT-UHFFFAOYSA-N 0 0 464.525 0.851 20 30 JCEDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000920906698 1068929576 /nfs/dbraw/zinc/92/95/76/1068929576.db2.gz DIMBNGWKGVLTCK-UHFFFAOYSA-N 0 0 490.498 0.438 20 30 JCEDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920907873 1068930007 /nfs/dbraw/zinc/93/00/07/1068930007.db2.gz MWRVSBMBJRFWEG-UHFFFAOYSA-N 0 0 497.512 0.761 20 30 JCEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc1 ZINC000920922694 1068928448 /nfs/dbraw/zinc/92/84/48/1068928448.db2.gz PTNIXMVYXPXYJM-UHFFFAOYSA-N 0 0 465.514 0.182 20 30 JCEDRN N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000920923115 1068929075 /nfs/dbraw/zinc/92/90/75/1068929075.db2.gz QJHKOKGABDHCSR-UHFFFAOYSA-N 0 0 465.514 0.182 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1 ZINC000920924966 1068929093 /nfs/dbraw/zinc/92/90/93/1068929093.db2.gz BTOLWAGTEFQYAZ-UHFFFAOYSA-N 0 0 455.452 0.321 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc1 ZINC000920925748 1068928991 /nfs/dbraw/zinc/92/89/91/1068928991.db2.gz NFNKSJCRIBKJOQ-UHFFFAOYSA-N 0 0 455.452 0.321 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000920974017 1068932685 /nfs/dbraw/zinc/93/26/85/1068932685.db2.gz LZLOTKPVRQRNDO-UHFFFAOYSA-N 0 0 454.524 0.535 20 30 JCEDRN Cn1c2c(nc(Br)n2CCCC(=O)ONC(=N)c2cccs2)c(=O)n(C)c1=O ZINC000921014087 1068936896 /nfs/dbraw/zinc/93/68/96/1068936896.db2.gz RYVNITHTZZFGEQ-UHFFFAOYSA-N 0 0 469.321 0.902 20 30 JCEDRN C=CCn1c(-c2ccncc2)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC000921044442 1068938619 /nfs/dbraw/zinc/93/86/19/1068938619.db2.gz BEIUYZKTBOEZBM-KRWDZBQOSA-N 0 0 498.656 0.754 20 30 JCEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)cc1OCC ZINC000921044444 1068938513 /nfs/dbraw/zinc/93/85/13/1068938513.db2.gz FIIYGNMAZZYJAJ-UHFFFAOYSA-N 0 0 487.578 0.715 20 30 JCEDRN C=CCn1c(-c2ccncc2)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC000921044447 1068938537 /nfs/dbraw/zinc/93/85/37/1068938537.db2.gz BEIUYZKTBOEZBM-QGZVFWFLSA-N 0 0 498.656 0.754 20 30 JCEDRN C=CCn1c(C2CC2)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC000921044557 1068939013 /nfs/dbraw/zinc/93/90/13/1068939013.db2.gz DGPCLQZZWBUWNO-HNNXBMFYSA-N 0 0 461.635 0.569 20 30 JCEDRN C=CCn1c(C2CC2)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC000921044558 1068938965 /nfs/dbraw/zinc/93/89/65/1068938965.db2.gz DGPCLQZZWBUWNO-OAHLLOKOSA-N 0 0 461.635 0.569 20 30 JCEDRN C=CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC000921045317 1068939517 /nfs/dbraw/zinc/93/95/17/1068939517.db2.gz LFWWWLGQPHVSIG-HNNXBMFYSA-N 0 0 487.629 0.952 20 30 JCEDRN C=CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC000921045318 1068939614 /nfs/dbraw/zinc/93/96/14/1068939614.db2.gz LFWWWLGQPHVSIG-OAHLLOKOSA-N 0 0 487.629 0.952 20 30 JCEDRN C=CCn1c(-c2cccnc2)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC000921047348 1068940593 /nfs/dbraw/zinc/94/05/93/1068940593.db2.gz XSBISACVTVGUBM-KRWDZBQOSA-N 0 0 498.656 0.754 20 30 JCEDRN C=CCn1c(-c2cccnc2)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC000921047349 1068940477 /nfs/dbraw/zinc/94/04/77/1068940477.db2.gz XSBISACVTVGUBM-QGZVFWFLSA-N 0 0 498.656 0.754 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1=O ZINC000921049024 1068940443 /nfs/dbraw/zinc/94/04/43/1068940443.db2.gz GUFOXPKWFVZTSJ-UHFFFAOYSA-N 0 0 454.531 0.371 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1=O ZINC000921049514 1068940680 /nfs/dbraw/zinc/94/06/80/1068940680.db2.gz KOQVRACQDAUUMG-UHFFFAOYSA-N 0 0 475.933 0.378 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1=O ZINC000921050003 1068940459 /nfs/dbraw/zinc/94/04/59/1068940459.db2.gz PZDWJCMPOKVTPG-UHFFFAOYSA-N 0 0 459.934 0.542 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1=O ZINC000921050375 1068940622 /nfs/dbraw/zinc/94/06/22/1068940622.db2.gz NWFLOBFSZONHIJ-UHFFFAOYSA-N 0 0 479.459 0.978 20 30 JCEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000921053527 1068941198 /nfs/dbraw/zinc/94/11/98/1068941198.db2.gz LZCVXJXVBUCKHG-KRWDZBQOSA-N 0 0 456.590 0.632 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)c1=O ZINC000921057005 1068942142 /nfs/dbraw/zinc/94/21/42/1068942142.db2.gz HVCSCRINBLCSEU-UHFFFAOYSA-N 0 0 481.600 0.186 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CCc3ccc(OC)cc3)CC2)c1=O ZINC000921057210 1068942153 /nfs/dbraw/zinc/94/21/53/1068942153.db2.gz SUYCMHSEQHQAPD-UHFFFAOYSA-N 0 0 469.542 0.287 20 30 JCEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC ZINC000921064249 1068942674 /nfs/dbraw/zinc/94/26/74/1068942674.db2.gz JTEUFZJJNWIMJL-IDTUSYRASA-N 0 0 457.526 0.701 20 30 JCEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC ZINC000921064251 1068942656 /nfs/dbraw/zinc/94/26/56/1068942656.db2.gz JTEUFZJJNWIMJL-LFAOLKIESA-N 0 0 457.526 0.701 20 30 JCEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC ZINC000921064252 1068942570 /nfs/dbraw/zinc/94/25/70/1068942570.db2.gz JTEUFZJJNWIMJL-LQYUOIDQSA-N 0 0 457.526 0.701 20 30 JCEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC ZINC000921064254 1068942751 /nfs/dbraw/zinc/94/27/51/1068942751.db2.gz JTEUFZJJNWIMJL-XHPSBEMXSA-N 0 0 457.526 0.701 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CC1 ZINC000921068412 1068937909 /nfs/dbraw/zinc/93/79/09/1068937909.db2.gz KUVWTOIYLOHNSP-SREVYHEPSA-N 0 0 467.544 0.499 20 30 JCEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)CC1 ZINC000921068413 1068937892 /nfs/dbraw/zinc/93/78/92/1068937892.db2.gz KUVWTOIYLOHNSP-VOTSOKGWSA-N 0 0 467.544 0.499 20 30 JCEDRN CCOC(=O)CN1CCCN(C(=O)[C@@H](/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000921079855 1068943216 /nfs/dbraw/zinc/94/32/16/1068943216.db2.gz XEUZFUNUNCLXCS-IBGZPJMESA-N 0 0 450.561 0.847 20 30 JCEDRN C[C@@H](OC[C@@H]1CCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000921094849 1068943053 /nfs/dbraw/zinc/94/30/53/1068943053.db2.gz INRBGQAAPWCFLI-AEFFLSMTSA-N 0 0 465.528 0.518 20 30 JCEDRN C[C@H](OC[C@H]1CCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000921094850 1068943897 /nfs/dbraw/zinc/94/38/97/1068943897.db2.gz INRBGQAAPWCFLI-FUHWJXTLSA-N 0 0 465.528 0.518 20 30 JCEDRN C[C@@H](OC[C@H]1CCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000921094851 1068943851 /nfs/dbraw/zinc/94/38/51/1068943851.db2.gz INRBGQAAPWCFLI-SJLPKXTDSA-N 0 0 465.528 0.518 20 30 JCEDRN C[C@H](OC[C@@H]1CCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000921094852 1068943660 /nfs/dbraw/zinc/94/36/60/1068943660.db2.gz INRBGQAAPWCFLI-WMZOPIPTSA-N 0 0 465.528 0.518 20 30 JCEDRN C=C(Br)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000921130272 1068948884 /nfs/dbraw/zinc/94/88/84/1068948884.db2.gz CJPPVSMRLAUFSP-UHFFFAOYSA-N 0 0 462.322 0.679 20 30 JCEDRN C=C(Br)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC ZINC000921130288 1068948995 /nfs/dbraw/zinc/94/89/95/1068948995.db2.gz DSDBOCZSHUJFQI-UHFFFAOYSA-N 0 0 475.365 0.595 20 30 JCEDRN C=C(Br)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000921130324 1068948982 /nfs/dbraw/zinc/94/89/82/1068948982.db2.gz JLFHMXGZWLLYNU-UHFFFAOYSA-N 0 0 450.286 0.810 20 30 JCEDRN C=C(Br)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000921130333 1068948831 /nfs/dbraw/zinc/94/88/31/1068948831.db2.gz JWJNYXIVMHDFBZ-UHFFFAOYSA-N 0 0 462.322 0.679 20 30 JCEDRN C=C(Br)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 ZINC000921130516 1068948815 /nfs/dbraw/zinc/94/88/15/1068948815.db2.gz NZMJWHNSKCMFBS-UHFFFAOYSA-N 0 0 459.366 0.976 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000921154756 1068951216 /nfs/dbraw/zinc/95/12/16/1068951216.db2.gz CZINJJPRSUGUIH-UHFFFAOYSA-N 0 0 486.503 0.907 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000921168326 1068953468 /nfs/dbraw/zinc/95/34/68/1068953468.db2.gz SRHZHFIWIHGFSJ-UHFFFAOYSA-N 0 0 466.497 0.215 20 30 JCEDRN CN1C(=O)c2ccc(NC(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2C1=O ZINC000921168984 1068953284 /nfs/dbraw/zinc/95/32/84/1068953284.db2.gz ODFXHNNIKKDWSK-UHFFFAOYSA-N 0 0 456.436 0.244 20 30 JCEDRN CN1C(=O)c2ccc(NC(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)cc2C1=O ZINC000921169204 1068953315 /nfs/dbraw/zinc/95/33/15/1068953315.db2.gz LLDMAOPHFWRKNE-UHFFFAOYSA-N 0 0 456.436 0.244 20 30 JCEDRN CN1C(=O)c2ccc(NC(=O)COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2C1=O ZINC000921170139 1068953253 /nfs/dbraw/zinc/95/32/53/1068953253.db2.gz SFXFWWNAALGGPX-UHFFFAOYSA-N 0 0 456.436 0.244 20 30 JCEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000921172299 1068953900 /nfs/dbraw/zinc/95/39/00/1068953900.db2.gz POADBHJPPKAGGO-UHFFFAOYSA-N 0 0 493.586 0.094 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000921172304 1068954024 /nfs/dbraw/zinc/95/40/24/1068954024.db2.gz PVXGUIOMDVQLQF-INIZCTEOSA-N 0 0 459.480 0.992 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000921172307 1068953885 /nfs/dbraw/zinc/95/38/85/1068953885.db2.gz PVXGUIOMDVQLQF-MRXNPFEDSA-N 0 0 459.480 0.992 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000921172467 1068953926 /nfs/dbraw/zinc/95/39/26/1068953926.db2.gz USBAPJYIVOXKOS-KRWDZBQOSA-N 0 0 485.584 0.707 20 30 JCEDRN CC(C)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000921172468 1068954105 /nfs/dbraw/zinc/95/41/05/1068954105.db2.gz USBAPJYIVOXKOS-QGZVFWFLSA-N 0 0 485.584 0.707 20 30 JCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000921172482 1068953875 /nfs/dbraw/zinc/95/38/75/1068953875.db2.gz VEFRABDTUIXOMJ-UHFFFAOYSA-N 0 0 463.493 0.880 20 30 JCEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 ZINC000921172787 1068953968 /nfs/dbraw/zinc/95/39/68/1068953968.db2.gz ZRFADOOVJXMFCT-UHFFFAOYSA-N 0 0 494.551 0.924 20 30 JCEDRN C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000921217416 1068957945 /nfs/dbraw/zinc/95/79/45/1068957945.db2.gz MGADBRNPJQTDAK-INIZCTEOSA-N 0 0 468.528 0.815 20 30 JCEDRN C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000921217417 1068957717 /nfs/dbraw/zinc/95/77/17/1068957717.db2.gz MGADBRNPJQTDAK-MRXNPFEDSA-N 0 0 468.528 0.815 20 30 JCEDRN C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000921218396 1068957678 /nfs/dbraw/zinc/95/76/78/1068957678.db2.gz ICAOMHUJIKCNON-HNNXBMFYSA-N 0 0 455.489 0.952 20 30 JCEDRN C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000921218397 1068958425 /nfs/dbraw/zinc/95/84/25/1068958425.db2.gz ICAOMHUJIKCNON-OAHLLOKOSA-N 0 0 455.489 0.952 20 30 JCEDRN C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000921219835 1068958412 /nfs/dbraw/zinc/95/84/12/1068958412.db2.gz VCVXUFSQKNMZNW-HNNXBMFYSA-N 0 0 455.489 0.952 20 30 JCEDRN C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000921219836 1068958353 /nfs/dbraw/zinc/95/83/53/1068958353.db2.gz VCVXUFSQKNMZNW-OAHLLOKOSA-N 0 0 455.489 0.952 20 30 JCEDRN C[C@H](OC[C@@H]1CCCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000921228687 1068959641 /nfs/dbraw/zinc/95/96/41/1068959641.db2.gz UUQPSAUFJGQTDG-HKUYNNGSSA-N 0 0 479.555 0.909 20 30 JCEDRN C[C@@H](OC[C@H]1CCCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000921228689 1068959625 /nfs/dbraw/zinc/95/96/25/1068959625.db2.gz UUQPSAUFJGQTDG-IEBWSBKVSA-N 0 0 479.555 0.909 20 30 JCEDRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000921228690 1068959573 /nfs/dbraw/zinc/95/95/73/1068959573.db2.gz UUQPSAUFJGQTDG-MJGOQNOKSA-N 0 0 479.555 0.909 20 30 JCEDRN C[C@H](OC[C@H]1CCCCO1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000921228691 1068959547 /nfs/dbraw/zinc/95/95/47/1068959547.db2.gz UUQPSAUFJGQTDG-PKOBYXMFSA-N 0 0 479.555 0.909 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000921286123 1068962397 /nfs/dbraw/zinc/96/23/97/1068962397.db2.gz OFPYSVHBKOWCBH-UHFFFAOYSA-N 0 0 471.539 0.760 20 30 JCEDRN C=CCN(CC(=O)OCC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000921292700 1068961045 /nfs/dbraw/zinc/96/10/45/1068961045.db2.gz LSJZMYWZYQUDPS-UHFFFAOYSA-N 0 0 456.517 0.916 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000923869068 1070405758 /nfs/dbraw/zinc/40/57/58/1070405758.db2.gz OCGSNTGVPXYWIF-AWEZNQCLSA-N 0 0 459.484 0.843 20 30 JCEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000923869074 1070405669 /nfs/dbraw/zinc/40/56/69/1070405669.db2.gz OCGSNTGVPXYWIF-CQSZACIVSA-N 0 0 459.484 0.843 20 30 JCEDRN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)N(CCC#N)CCC#N)CC1 ZINC000927296787 1070438700 /nfs/dbraw/zinc/43/87/00/1070438700.db2.gz JPWLTIBOETZEGM-UHFFFAOYSA-N 0 0 451.505 0.891 20 30 JCEDRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)N(CCC#N)CCC#N)CC1 ZINC000927301717 1070439683 /nfs/dbraw/zinc/43/96/83/1070439683.db2.gz ZJVIEZTYRGSKIS-UHFFFAOYSA-N 0 0 450.521 0.626 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)c1 ZINC000927570616 1070443366 /nfs/dbraw/zinc/44/33/66/1070443366.db2.gz HVNHUYISYMAUQW-HNNXBMFYSA-N 0 0 451.501 0.444 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)c1 ZINC000927570617 1070443528 /nfs/dbraw/zinc/44/35/28/1070443528.db2.gz HVNHUYISYMAUQW-OAHLLOKOSA-N 0 0 451.501 0.444 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)c1 ZINC000927571607 1070443510 /nfs/dbraw/zinc/44/35/10/1070443510.db2.gz OWRPUQPESOVBIT-FXAWDEMLSA-N 0 0 470.569 0.473 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)c1 ZINC000927571610 1070443348 /nfs/dbraw/zinc/44/33/48/1070443348.db2.gz OWRPUQPESOVBIT-PXNSSMCTSA-N 0 0 470.569 0.473 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)c1 ZINC000927571612 1070443497 /nfs/dbraw/zinc/44/34/97/1070443497.db2.gz OWRPUQPESOVBIT-XLIONFOSSA-N 0 0 470.569 0.473 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)c1 ZINC000927571614 1070443285 /nfs/dbraw/zinc/44/32/85/1070443285.db2.gz OWRPUQPESOVBIT-YLJYHZDGSA-N 0 0 470.569 0.473 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 ZINC000927571950 1070443441 /nfs/dbraw/zinc/44/34/41/1070443441.db2.gz PTTIRSGYCFARDD-FQEVSTJZSA-N 0 0 485.566 0.918 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 ZINC000927571951 1070443224 /nfs/dbraw/zinc/44/32/24/1070443224.db2.gz PTTIRSGYCFARDD-HXUWFJFHSA-N 0 0 485.566 0.918 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000927573271 1070443548 /nfs/dbraw/zinc/44/35/48/1070443548.db2.gz OJGOTMRRAWNQMC-DOTOQJQBSA-N 0 0 470.569 0.569 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000927573272 1070443540 /nfs/dbraw/zinc/44/35/40/1070443540.db2.gz OJGOTMRRAWNQMC-NVXWUHKLSA-N 0 0 470.569 0.569 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000927573273 1070443247 /nfs/dbraw/zinc/44/32/47/1070443247.db2.gz OJGOTMRRAWNQMC-RDJZCZTQSA-N 0 0 470.569 0.569 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000927573274 1070443271 /nfs/dbraw/zinc/44/32/71/1070443271.db2.gz OJGOTMRRAWNQMC-WBVHZDCISA-N 0 0 470.569 0.569 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 ZINC000927574038 1070443197 /nfs/dbraw/zinc/44/31/97/1070443197.db2.gz XSMFYMMZYCWDML-DOTOQJQBSA-N 0 0 456.542 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 ZINC000927574039 1070443395 /nfs/dbraw/zinc/44/33/95/1070443395.db2.gz XSMFYMMZYCWDML-NVXWUHKLSA-N 0 0 456.542 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 ZINC000927574041 1070444088 /nfs/dbraw/zinc/44/40/88/1070444088.db2.gz XSMFYMMZYCWDML-RDJZCZTQSA-N 0 0 456.542 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 ZINC000927574042 1070444049 /nfs/dbraw/zinc/44/40/49/1070444049.db2.gz XSMFYMMZYCWDML-WBVHZDCISA-N 0 0 456.542 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)c1 ZINC000927575196 1070444082 /nfs/dbraw/zinc/44/40/82/1070444082.db2.gz PUVAWGZMTRDSHY-DOTOQJQBSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)c1 ZINC000927575197 1070444094 /nfs/dbraw/zinc/44/40/94/1070444094.db2.gz PUVAWGZMTRDSHY-NVXWUHKLSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)c1 ZINC000927575198 1070443979 /nfs/dbraw/zinc/44/39/79/1070443979.db2.gz PUVAWGZMTRDSHY-RDJZCZTQSA-N 0 0 450.513 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)c1 ZINC000927575199 1070444046 /nfs/dbraw/zinc/44/40/46/1070444046.db2.gz PUVAWGZMTRDSHY-WBVHZDCISA-N 0 0 450.513 0.945 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000928865234 1070454489 /nfs/dbraw/zinc/45/44/89/1070454489.db2.gz JRQBWXGMRARJBI-INIZCTEOSA-N 0 0 464.544 0.566 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000928865237 1070454179 /nfs/dbraw/zinc/45/41/79/1070454179.db2.gz JRQBWXGMRARJBI-MRXNPFEDSA-N 0 0 464.544 0.566 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000928867659 1070454216 /nfs/dbraw/zinc/45/42/16/1070454216.db2.gz BOAMPAGWADSMEZ-INMHGKMJSA-N 0 0 478.571 0.940 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000928867661 1070454374 /nfs/dbraw/zinc/45/43/74/1070454374.db2.gz BOAMPAGWADSMEZ-VYDXJSESSA-N 0 0 478.571 0.940 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000928870796 1070454444 /nfs/dbraw/zinc/45/44/44/1070454444.db2.gz XBWVCNNHLSTDMO-PBHICJAKSA-N 0 0 478.571 0.940 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000928870799 1070454253 /nfs/dbraw/zinc/45/42/53/1070454253.db2.gz XBWVCNNHLSTDMO-YOEHRIQHSA-N 0 0 478.571 0.940 20 30 JCEDRN C=CCn1c2nnc(SCC(=O)N3CCC4(CC3)NC(=O)NC4=O)n2c2ccccc2c1=O ZINC001115822061 1071231303 /nfs/dbraw/zinc/23/13/03/1071231303.db2.gz HTNRZGXDDVVYIS-UHFFFAOYSA-N 0 0 467.511 0.523 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)CC2)cc1 ZINC001115838046 1071235060 /nfs/dbraw/zinc/23/50/60/1071235060.db2.gz WFKXDLSYWVOENW-UHFFFAOYSA-N 0 0 475.571 0.555 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)NCc2ccc(C#N)cc2)c(=O)c1=O ZINC001115842510 1071235826 /nfs/dbraw/zinc/23/58/26/1071235826.db2.gz RHYJHALZKBJSOR-UHFFFAOYSA-N 0 0 469.523 0.621 20 30 JCEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)NCc2cccc(C#N)c2)c(=O)c1=O ZINC001115842996 1071235958 /nfs/dbraw/zinc/23/59/58/1071235958.db2.gz ZLRSCKKMFRZCKM-UHFFFAOYSA-N 0 0 469.523 0.621 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001115847235 1071236565 /nfs/dbraw/zinc/23/65/65/1071236565.db2.gz GNLRHRACPAJRRY-GFCCVEGCSA-N 0 0 475.317 0.945 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001115847236 1071236599 /nfs/dbraw/zinc/23/65/99/1071236599.db2.gz GNLRHRACPAJRRY-LBPRGKRZSA-N 0 0 475.317 0.945 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 ZINC001115860443 1071238774 /nfs/dbraw/zinc/23/87/74/1071238774.db2.gz IVTQITPHAWTCCP-UHFFFAOYSA-N 0 0 460.556 0.174 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC001115861518 1071238623 /nfs/dbraw/zinc/23/86/23/1071238623.db2.gz KYZFFHSRTJKUAL-UHFFFAOYSA-N 0 0 460.556 0.174 20 30 JCEDRN C=CCn1c(=O)c(=Cc2csc(C(C)C)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC001115869856 1071240857 /nfs/dbraw/zinc/24/08/57/1071240857.db2.gz OEBYSXZYFMVOBX-UHFFFAOYSA-N 0 0 473.624 0.627 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001115894674 1071245034 /nfs/dbraw/zinc/24/50/34/1071245034.db2.gz IWKXJQMGXANETM-UHFFFAOYSA-N 0 0 465.528 0.834 20 30 JCEDRN N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1 ZINC001115909543 1071246520 /nfs/dbraw/zinc/24/65/20/1071246520.db2.gz UCMSJSDXFGEQMN-IBGZPJMESA-N 0 0 482.566 0.574 20 30 JCEDRN N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1 ZINC001115909544 1071246629 /nfs/dbraw/zinc/24/66/29/1071246629.db2.gz UCMSJSDXFGEQMN-LJQANCHMSA-N 0 0 482.566 0.574 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N=C3NS(=O)(=O)c4ccccc43)cc2)CC1 ZINC001115911352 1071246453 /nfs/dbraw/zinc/24/64/53/1071246453.db2.gz DPZQIZMSZXMJQU-UHFFFAOYSA-N 0 0 476.536 0.418 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C[C@@H](C)O1 ZINC001115913548 1071247298 /nfs/dbraw/zinc/24/72/98/1071247298.db2.gz PNOMSVOLQVEFKO-LMMKCTJWSA-N 0 0 475.571 0.409 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C[C@H](C)O1 ZINC001115913549 1071247303 /nfs/dbraw/zinc/24/73/03/1071247303.db2.gz PNOMSVOLQVEFKO-SCTDSRPQSA-N 0 0 475.571 0.409 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C[C@@H](C)O1 ZINC001115913550 1071247233 /nfs/dbraw/zinc/24/72/33/1071247233.db2.gz PNOMSVOLQVEFKO-ZHALLVOQSA-N 0 0 475.571 0.409 20 30 JCEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C[C@H](C)O1 ZINC001115913551 1071247247 /nfs/dbraw/zinc/24/72/47/1071247247.db2.gz PNOMSVOLQVEFKO-ZIFCJYIRSA-N 0 0 475.571 0.409 20 30 JCEDRN CC(C)N(CCCNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)S(C)(=O)=O ZINC001115913756 1071247188 /nfs/dbraw/zinc/24/71/88/1071247188.db2.gz WKTUEIWEWRUVNA-KRWDZBQOSA-N 0 0 464.544 0.631 20 30 JCEDRN CC(C)N(CCCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)S(C)(=O)=O ZINC001115913757 1071247262 /nfs/dbraw/zinc/24/72/62/1071247262.db2.gz WKTUEIWEWRUVNA-QGZVFWFLSA-N 0 0 464.544 0.631 20 30 JCEDRN COc1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC001115949509 1071251887 /nfs/dbraw/zinc/25/18/87/1071251887.db2.gz MXVBDEUEKZKAAQ-UHFFFAOYSA-N 0 0 465.509 0.595 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(CC#N)CC1 ZINC001116005547 1071257643 /nfs/dbraw/zinc/25/76/43/1071257643.db2.gz HHACTRUPZOUKBB-KRWDZBQOSA-N 0 0 477.008 0.526 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(CC#N)CC1 ZINC001116005548 1071257563 /nfs/dbraw/zinc/25/75/63/1071257563.db2.gz HHACTRUPZOUKBB-QGZVFWFLSA-N 0 0 477.008 0.526 20 30 JCEDRN Cn1nc(C(=O)N2CCN(CCOC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)ccc1=O ZINC001122406927 1071262022 /nfs/dbraw/zinc/26/20/22/1071262022.db2.gz MTJAUIGKBYTGPO-GOSISDBHSA-N 0 0 478.509 0.006 20 30 JCEDRN Cn1nc(C(=O)N2CCN(CCOC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)ccc1=O ZINC001122406933 1071262080 /nfs/dbraw/zinc/26/20/80/1071262080.db2.gz MTJAUIGKBYTGPO-SFHVURJKSA-N 0 0 478.509 0.006 20 30 JCEDRN C#CC[C@]1(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C ZINC001124379253 1071264922 /nfs/dbraw/zinc/26/49/22/1071264922.db2.gz GMVMYIVZGHEVLY-HRAATJIYSA-N 0 0 455.577 0.931 20 30 JCEDRN C#CC[C@@]1(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C ZINC001124379254 1071265212 /nfs/dbraw/zinc/26/52/12/1071265212.db2.gz GMVMYIVZGHEVLY-IERDGZPVSA-N 0 0 455.577 0.931 20 30 JCEDRN C#CC[C@]1(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C ZINC001124379255 1071265122 /nfs/dbraw/zinc/26/51/22/1071265122.db2.gz GMVMYIVZGHEVLY-IIBYNOLFSA-N 0 0 455.577 0.931 20 30 JCEDRN C#CC[C@@]1(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C ZINC001124379256 1071264942 /nfs/dbraw/zinc/26/49/42/1071264942.db2.gz GMVMYIVZGHEVLY-KKSFZXQISA-N 0 0 455.577 0.931 20 30 JCEDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1cccc(Br)c1C#N ZINC001124439946 1071266634 /nfs/dbraw/zinc/26/66/34/1071266634.db2.gz LEUJSRDYNYDKFS-GFCCVEGCSA-N 0 0 458.334 0.851 20 30 JCEDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1cccc(Br)c1C#N ZINC001124439947 1071266526 /nfs/dbraw/zinc/26/65/26/1071266526.db2.gz LEUJSRDYNYDKFS-LBPRGKRZSA-N 0 0 458.334 0.851 20 30 JCEDRN CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 ZINC001125005859 1071272394 /nfs/dbraw/zinc/27/23/94/1071272394.db2.gz UFQVOWUAEHQGIE-JLMWRMLUSA-N 0 0 455.559 0.890 20 30 JCEDRN CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 ZINC001125005860 1071272474 /nfs/dbraw/zinc/27/24/74/1071272474.db2.gz UFQVOWUAEHQGIE-KPLVRAHFSA-N 0 0 455.559 0.890 20 30 JCEDRN CC[C@H](C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 ZINC001125005861 1071272510 /nfs/dbraw/zinc/27/25/10/1071272510.db2.gz UFQVOWUAEHQGIE-LQBOVUBWSA-N 0 0 455.559 0.890 20 30 JCEDRN CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 ZINC001125005862 1071272563 /nfs/dbraw/zinc/27/25/63/1071272563.db2.gz UFQVOWUAEHQGIE-LRXVAGHRSA-N 0 0 455.559 0.890 20 30 JCEDRN CCCNC(=O)CN1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001125034404 1071273882 /nfs/dbraw/zinc/27/38/82/1071273882.db2.gz IBSQJFUXGIZEML-IBGZPJMESA-N 0 0 454.531 0.870 20 30 JCEDRN CCCNC(=O)CN1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001125034405 1071273843 /nfs/dbraw/zinc/27/38/43/1071273843.db2.gz IBSQJFUXGIZEML-LJQANCHMSA-N 0 0 454.531 0.870 20 30 JCEDRN COC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O ZINC001125125362 1071274418 /nfs/dbraw/zinc/27/44/18/1071274418.db2.gz GOPXPKPTQGUFIA-MXVUGKIDSA-N 0 0 450.517 0.850 20 30 JCEDRN COC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O ZINC001125125363 1071274779 /nfs/dbraw/zinc/27/47/79/1071274779.db2.gz GOPXPKPTQGUFIA-UDWOFDDZSA-N 0 0 450.517 0.850 20 30 JCEDRN COC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O ZINC001125125364 1071274444 /nfs/dbraw/zinc/27/44/44/1071274444.db2.gz GOPXPKPTQGUFIA-VBUUPXLYSA-N 0 0 450.517 0.850 20 30 JCEDRN COC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O ZINC001125125365 1071275687 /nfs/dbraw/zinc/27/56/87/1071275687.db2.gz GOPXPKPTQGUFIA-ZESIPNTPSA-N 0 0 450.517 0.850 20 30 JCEDRN C=CCN(CC(=O)OCC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC001125470669 1067755995 /nfs/dbraw/zinc/75/59/95/1067755995.db2.gz JPHNJTAXDUPLQL-UHFFFAOYSA-N 0 0 455.508 0.870 20 30 JCEDRN C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001125884214 1067966695 /nfs/dbraw/zinc/96/66/95/1067966695.db2.gz PZHWUVCEMVHPAY-GOSISDBHSA-N 0 0 454.570 0.939 20 30 JCEDRN C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001125884215 1067966573 /nfs/dbraw/zinc/96/65/73/1067966573.db2.gz PZHWUVCEMVHPAY-SFHVURJKSA-N 0 0 454.570 0.939 20 30 JCEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CC(=O)OC)CC2)cc1 ZINC001126443298 1068823153 /nfs/dbraw/zinc/82/31/53/1068823153.db2.gz BIGFJTMBHFKYNZ-UHFFFAOYSA-N 0 0 451.501 0.789 20 30 JCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC001126662423 1069913415 /nfs/dbraw/zinc/91/34/15/1069913415.db2.gz XUUNCCFSQWPTIN-UHFFFAOYSA-N 0 0 458.496 0.601 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccc(OCC)cc3)CC2)C1=O ZINC001126937327 1070213810 /nfs/dbraw/zinc/21/38/10/1070213810.db2.gz PMZQAMZVRSOBHP-UHFFFAOYSA-N 0 0 457.487 0.145 20 30 JCEDRN C=C(C)COCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC001127125848 1070537305 /nfs/dbraw/zinc/53/73/05/1070537305.db2.gz CVZOCVNYDMXLNO-UHFFFAOYSA-N 0 0 453.561 0.867 20 30 JCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC001127220567 1067782865 /nfs/dbraw/zinc/78/28/65/1067782865.db2.gz GVZSXYJXFRJEIU-FPTDNZKUSA-N 0 0 451.462 0.992 20 30 JCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC001127220568 1067782822 /nfs/dbraw/zinc/78/28/22/1067782822.db2.gz GVZSXYJXFRJEIU-JLCFBVMHSA-N 0 0 451.462 0.992 20 30 JCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC001127220570 1067782973 /nfs/dbraw/zinc/78/29/73/1067782973.db2.gz GVZSXYJXFRJEIU-PEBXRYMYSA-N 0 0 451.462 0.992 20 30 JCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC001127220573 1067782759 /nfs/dbraw/zinc/78/27/59/1067782759.db2.gz GVZSXYJXFRJEIU-RCDICMHDSA-N 0 0 451.462 0.992 20 30 JCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001127222396 1067784898 /nfs/dbraw/zinc/78/48/98/1067784898.db2.gz ORZHFDQAQPZFQU-INIZCTEOSA-N 0 0 455.544 0.881 20 30 JCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001127222400 1067784875 /nfs/dbraw/zinc/78/48/75/1067784875.db2.gz ORZHFDQAQPZFQU-MRXNPFEDSA-N 0 0 455.544 0.881 20 30 JCEDRN COc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1S(=O)(=O)N(C)C ZINC001127230220 1067786993 /nfs/dbraw/zinc/78/69/93/1067786993.db2.gz RUKSVSCZWPTHHU-UHFFFAOYSA-N 0 0 452.514 0.623 20 30 JCEDRN CN(CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)S(=O)(=O)c1cccs1 ZINC001127359415 1067975993 /nfs/dbraw/zinc/97/59/93/1067975993.db2.gz QFVSCTSBBFTHNY-UHFFFAOYSA-N 0 0 456.571 0.991 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3n(c2C(=O)c2ccc(OC)cc2)CCC3)C1=O ZINC001127848103 1069263610 /nfs/dbraw/zinc/26/36/10/1069263610.db2.gz MOLGLKIJTVPRTA-UHFFFAOYSA-N 0 0 451.439 0.984 20 30 JCEDRN Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)c1C#N ZINC001128029985 1069455660 /nfs/dbraw/zinc/45/56/60/1069455660.db2.gz FVCUNBHTRZTBHC-JOCHJYFZSA-N 0 0 453.478 0.855 20 30 JCEDRN Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)c1C#N ZINC001128029986 1069455753 /nfs/dbraw/zinc/45/57/53/1069455753.db2.gz FVCUNBHTRZTBHC-QFIPXVFZSA-N 0 0 453.478 0.855 20 30 JCEDRN Cc1nn(C)c(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1C#N ZINC001128139043 1069478698 /nfs/dbraw/zinc/47/86/98/1069478698.db2.gz UNDMRPJDPYPZTG-UHFFFAOYSA-N 0 0 458.544 0.584 20 30 JCEDRN C#CCNC(=O)C1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 ZINC001128433543 1069510233 /nfs/dbraw/zinc/51/02/33/1069510233.db2.gz LPCIETNUJMOYHA-UHFFFAOYSA-N 0 0 459.572 0.744 20 30 JCEDRN CN(CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC001128593773 1069563613 /nfs/dbraw/zinc/56/36/13/1069563613.db2.gz WVQTZGJCFFZQBX-UHFFFAOYSA-N 0 0 454.505 0.301 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)OC)Cc2cccc(Br)c2)C1=O ZINC001128698868 1069565729 /nfs/dbraw/zinc/56/57/29/1069565729.db2.gz LGJFMZMVJBMKFQ-UHFFFAOYSA-N 0 0 452.261 0.928 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 ZINC001128962117 1069570533 /nfs/dbraw/zinc/57/05/33/1069570533.db2.gz KMODZLIHXBBENW-UHFFFAOYSA-N 0 0 451.501 0.635 20 30 JCEDRN Cn1cc(I)c(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 ZINC001128992439 1069570951 /nfs/dbraw/zinc/57/09/51/1069570951.db2.gz BFBFRCFNISMGRZ-UHFFFAOYSA-N 0 0 459.269 0.380 20 30 JCEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)nc1 ZINC001129339399 1069997087 /nfs/dbraw/zinc/99/70/87/1069997087.db2.gz RUGRDOWFDBNENG-KRWDZBQOSA-N 0 0 455.496 0.367 20 30 JCEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)nc1 ZINC001129339407 1069997061 /nfs/dbraw/zinc/99/70/61/1069997061.db2.gz RUGRDOWFDBNENG-QGZVFWFLSA-N 0 0 455.496 0.367 20 30 JCEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(N4CCOCC4)CCOCC3)C2=O)cc1 ZINC001129669223 1070112161 /nfs/dbraw/zinc/11/21/61/1070112161.db2.gz HSXQDAAQUDEGQD-IBGZPJMESA-N 0 0 455.515 0.761 20 30 JCEDRN N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3(N4CCOCC4)CCOCC3)C2=O)cc1 ZINC001129669224 1070112077 /nfs/dbraw/zinc/11/20/77/1070112077.db2.gz HSXQDAAQUDEGQD-LJQANCHMSA-N 0 0 455.515 0.761 20 30 JCEDRN C#C[C@H](C)NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC001129715989 1070113755 /nfs/dbraw/zinc/11/37/55/1070113755.db2.gz XUHFZJJRRRKBRM-HNNXBMFYSA-N 0 0 450.517 0.970 20 30 JCEDRN C#C[C@@H](C)NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC001129715990 1070113647 /nfs/dbraw/zinc/11/36/47/1070113647.db2.gz XUHFZJJRRRKBRM-OAHLLOKOSA-N 0 0 450.517 0.970 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1=O ZINC001129752422 1070114526 /nfs/dbraw/zinc/11/45/26/1070114526.db2.gz USFWTSKULJPRMT-UHFFFAOYSA-N 0 0 452.265 0.596 20 30 JCEDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC3(C#N)CCOCC3)CC2)cc1 ZINC001130659303 1070154120 /nfs/dbraw/zinc/15/41/20/1070154120.db2.gz CWYDEGCUHONDFV-UHFFFAOYSA-N 0 0 450.561 0.974 20 30 JCEDRN C=CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC001131080919 1070170398 /nfs/dbraw/zinc/17/03/98/1070170398.db2.gz KAQLXJDDZYDHTG-UHFFFAOYSA-N 0 0 453.561 0.867 20 30 JCEDRN Cn1cc([C@@H]2[C@@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC(=O)N2C(C)(C)C)cn1 ZINC001131128456 1070172588 /nfs/dbraw/zinc/17/25/88/1070172588.db2.gz JYFWBGOYRWPCNT-VLIAUNLRSA-N 0 0 472.571 0.963 20 30 JCEDRN C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CCOCC1 ZINC001131468601 1070181392 /nfs/dbraw/zinc/18/13/92/1070181392.db2.gz HDUXNKHEYZCRTM-IBGZPJMESA-N 0 0 451.520 0.837 20 30 JCEDRN C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CCOCC1 ZINC001131468602 1070181211 /nfs/dbraw/zinc/18/12/11/1070181211.db2.gz HDUXNKHEYZCRTM-LJQANCHMSA-N 0 0 451.520 0.837 20 30 JCEDRN COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001132035845 1070201513 /nfs/dbraw/zinc/20/15/13/1070201513.db2.gz RWJGJXCVJCABBB-DZGCQCFKSA-N 0 0 453.904 0.753 20 30 JCEDRN COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001132035855 1070201695 /nfs/dbraw/zinc/20/16/95/1070201695.db2.gz RWJGJXCVJCABBB-HIFRSBDPSA-N 0 0 453.904 0.753 20 30 JCEDRN COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001132035857 1070201671 /nfs/dbraw/zinc/20/16/71/1070201671.db2.gz RWJGJXCVJCABBB-UKRRQHHQSA-N 0 0 453.904 0.753 20 30 JCEDRN COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001132035859 1070201583 /nfs/dbraw/zinc/20/15/83/1070201583.db2.gz RWJGJXCVJCABBB-ZFWWWQNUSA-N 0 0 453.904 0.753 20 30 JCEDRN Cn1ncc(I)c1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC001132895402 1070211514 /nfs/dbraw/zinc/21/15/14/1070211514.db2.gz ZFYGFBYQAFEPNZ-UHFFFAOYSA-N 0 0 459.269 0.380 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001133085394 1070222378 /nfs/dbraw/zinc/22/23/78/1070222378.db2.gz PBICQNAKEXEOAF-INIZCTEOSA-N 0 0 453.499 0.859 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001133085395 1070222437 /nfs/dbraw/zinc/22/24/37/1070222437.db2.gz PBICQNAKEXEOAF-MRXNPFEDSA-N 0 0 453.499 0.859 20 30 JCEDRN C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001134052629 1070249417 /nfs/dbraw/zinc/24/94/17/1070249417.db2.gz KFRKHJWXHSOPOC-DDBGAENHSA-N 0 0 466.313 0.830 20 30 JCEDRN C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001134052630 1070249441 /nfs/dbraw/zinc/24/94/41/1070249441.db2.gz KFRKHJWXHSOPOC-FHGNATFXSA-N 0 0 466.313 0.830 20 30 JCEDRN COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001134053456 1070248820 /nfs/dbraw/zinc/24/88/20/1070248820.db2.gz XEQPYKPUOVHKOF-LIRRHRJNSA-N 0 0 455.558 0.782 20 30 JCEDRN CCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001134056343 1070248680 /nfs/dbraw/zinc/24/86/80/1070248680.db2.gz NZRMMVMJHFUINW-PXNSSMCTSA-N 0 0 467.569 0.280 20 30 JCEDRN C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O ZINC001134056407 1070249518 /nfs/dbraw/zinc/24/95/18/1070249518.db2.gz PQLMFQJOGCHLRL-NXXSPTCGSA-N 0 0 468.894 0.643 20 30 JCEDRN C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O ZINC001134056408 1070249319 /nfs/dbraw/zinc/24/93/19/1070249319.db2.gz PQLMFQJOGCHLRL-RQUSPXKASA-N 0 0 468.894 0.643 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCc3nc(C#N)cs3)ccc2F)CC1 ZINC001134255999 1070253056 /nfs/dbraw/zinc/25/30/56/1070253056.db2.gz IURMXWCKUDHWLM-UHFFFAOYSA-N 0 0 451.505 0.937 20 30 JCEDRN N#C[C@@]12CN(C(=O)c3ccc4ncc(I)n4c3)C[C@H]1CS(=O)(=O)C2 ZINC001134274898 1070259684 /nfs/dbraw/zinc/25/96/84/1070259684.db2.gz DHNMNHTTXDKSLH-NHYWBVRUSA-N 0 0 456.265 0.949 20 30 JCEDRN N#C[C@@]12CN(C(=O)CCN3C(=O)c4ccc(Br)cc4C3=O)C[C@H]1CS(=O)(=O)C2 ZINC001134275128 1070259551 /nfs/dbraw/zinc/25/95/51/1070259551.db2.gz GMRVKSUEVQPMGF-VOJFVSQTSA-N 0 0 466.313 0.832 20 30 JCEDRN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)c1 ZINC001134275136 1070259607 /nfs/dbraw/zinc/25/96/07/1070259607.db2.gz GXTOGGBYPCJGQK-RXVVDRJESA-N 0 0 479.580 0.687 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)s1 ZINC001134275217 1070259705 /nfs/dbraw/zinc/25/97/05/1070259705.db2.gz ISWFBJPVGAUJBN-MPGHIAIKSA-N 0 0 457.599 0.854 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)s1 ZINC001134275233 1070259805 /nfs/dbraw/zinc/25/98/05/1070259805.db2.gz ISWFBJPVGAUJBN-VKJFTORMSA-N 0 0 457.599 0.854 20 30 JCEDRN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)cc1 ZINC001134275948 1070259814 /nfs/dbraw/zinc/25/98/14/1070259814.db2.gz NWHJERIYAXGFID-RXVVDRJESA-N 0 0 479.580 0.687 20 30 JCEDRN COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1S(=O)(=O)N1CCCC1 ZINC001134276203 1070259393 /nfs/dbraw/zinc/25/93/93/1070259393.db2.gz TYSHCUCUVAIYFI-KXBFYZLASA-N 0 0 453.542 0.490 20 30 JCEDRN N#C[C@@]12CN(C(=O)CCn3cnc4ccc(Br)cc4c3=O)C[C@H]1CS(=O)(=O)C2 ZINC001134276481 1070260631 /nfs/dbraw/zinc/26/06/31/1070260631.db2.gz YBFZFSGWMKWURB-SGTLLEGYSA-N 0 0 465.329 0.946 20 30 JCEDRN N#C[C@@]12CN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)C[C@H]1CS(=O)(=O)C2 ZINC001134276608 1070260401 /nfs/dbraw/zinc/26/04/01/1070260401.db2.gz ZHHFVGCZGOAVOS-BTDLBPIBSA-N 0 0 452.286 0.442 20 30 JCEDRN N#C[C@]12CN(C(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001134424233 1070268625 /nfs/dbraw/zinc/26/86/25/1070268625.db2.gz LFQBBDLPCZEFLM-IFXJQAMLSA-N 0 0 473.523 0.762 20 30 JCEDRN COc1ccc(CCN2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1OC ZINC001134424883 1070268533 /nfs/dbraw/zinc/26/85/33/1070268533.db2.gz WPEZGQVLYQRXNB-HYFFOGBASA-N 0 0 461.540 0.492 20 30 JCEDRN COc1ccc(CCN2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1OC ZINC001134424884 1070268347 /nfs/dbraw/zinc/26/83/47/1070268347.db2.gz WPEZGQVLYQRXNB-PNLZDCPESA-N 0 0 461.540 0.492 20 30 JCEDRN N#C[C@]12CN(C(=O)C3CCN(S(=O)(=O)c4cccnc4Cl)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001134429045 1070268647 /nfs/dbraw/zinc/26/86/47/1070268647.db2.gz MDBPLSAGSHJQIR-KBXCAEBGSA-N 0 0 472.976 0.532 20 30 JCEDRN CCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001134429087 1070268493 /nfs/dbraw/zinc/26/84/93/1070268493.db2.gz NZRMMVMJHFUINW-FXAWDEMLSA-N 0 0 467.569 0.280 20 30 JCEDRN CN(CCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1=NS(=O)(=O)c2ccccc21 ZINC001134429200 1070268607 /nfs/dbraw/zinc/26/86/07/1070268607.db2.gz RWVMEVWCZGWXJC-IFXJQAMLSA-N 0 0 450.542 0.244 20 30 JCEDRN C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001134645408 1070270597 /nfs/dbraw/zinc/27/05/97/1070270597.db2.gz KFRKHJWXHSOPOC-LDLUMPKVSA-N 0 0 466.313 0.830 20 30 JCEDRN C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001134645409 1070270916 /nfs/dbraw/zinc/27/09/16/1070270916.db2.gz KFRKHJWXHSOPOC-LIBAHTEVSA-N 0 0 466.313 0.830 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001134645498 1070270831 /nfs/dbraw/zinc/27/08/31/1070270831.db2.gz MUKOEAFXNIIGFV-HNAYVOBHSA-N 0 0 453.542 0.026 20 30 JCEDRN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001134645653 1070270875 /nfs/dbraw/zinc/27/08/75/1070270875.db2.gz QZXFPFHSZPCKKJ-FXAWDEMLSA-N 0 0 467.569 0.687 20 30 JCEDRN N#C[C@]12CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001134645872 1070271289 /nfs/dbraw/zinc/27/12/89/1070271289.db2.gz XWWXSZQPNKFXBF-FXAWDEMLSA-N 0 0 451.570 0.800 20 30 JCEDRN COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCS2(=O)=O ZINC001134650277 1070271392 /nfs/dbraw/zinc/27/13/92/1070271392.db2.gz FXQJSEDXOGDSDE-GKVAYGERSA-N 0 0 459.524 0.926 20 30 JCEDRN COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCS2(=O)=O ZINC001134650278 1070271532 /nfs/dbraw/zinc/27/15/32/1070271532.db2.gz FXQJSEDXOGDSDE-IEEPAPPKSA-N 0 0 459.524 0.926 20 30 JCEDRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCS2(=O)=O ZINC001134650279 1070271502 /nfs/dbraw/zinc/27/15/02/1070271502.db2.gz FXQJSEDXOGDSDE-PYCORMQUSA-N 0 0 459.524 0.926 20 30 JCEDRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCS2(=O)=O ZINC001134650280 1070271378 /nfs/dbraw/zinc/27/13/78/1070271378.db2.gz FXQJSEDXOGDSDE-YYOAPQJESA-N 0 0 459.524 0.926 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001134760292 1070273229 /nfs/dbraw/zinc/27/32/29/1070273229.db2.gz LXZIOVWKRUDXMX-CYBMUJFWSA-N 0 0 454.277 0.940 20 30 JCEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001134760293 1070273210 /nfs/dbraw/zinc/27/32/10/1070273210.db2.gz LXZIOVWKRUDXMX-ZDUSSCGKSA-N 0 0 454.277 0.940 20 30 JCEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4n(c3C#N)CCOC4)c2)CC1 ZINC001135005658 1070277080 /nfs/dbraw/zinc/27/70/80/1070277080.db2.gz DGZIRPBVKGHVRP-UHFFFAOYSA-N 0 0 458.500 0.390 20 30 JCEDRN N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1Cl ZINC001135633399 1070286614 /nfs/dbraw/zinc/28/66/14/1070286614.db2.gz UUMUSIFIDJPREH-DOTOQJQBSA-N 0 0 450.948 0.896 20 30 JCEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1Cl ZINC001135633400 1070286633 /nfs/dbraw/zinc/28/66/33/1070286633.db2.gz UUMUSIFIDJPREH-NVXWUHKLSA-N 0 0 450.948 0.896 20 30 JCEDRN N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1Cl ZINC001135633401 1070286556 /nfs/dbraw/zinc/28/65/56/1070286556.db2.gz UUMUSIFIDJPREH-RDJZCZTQSA-N 0 0 450.948 0.896 20 30 JCEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1Cl ZINC001135633402 1070286621 /nfs/dbraw/zinc/28/66/21/1070286621.db2.gz UUMUSIFIDJPREH-WBVHZDCISA-N 0 0 450.948 0.896 20 30 JCEDRN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC001135853963 1070293394 /nfs/dbraw/zinc/29/33/94/1070293394.db2.gz QINVAUADWDQKID-UHFFFAOYSA-N 0 0 459.528 0.999 20 30 JCEDRN C#CCO[C@@H](C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001136110094 1070302400 /nfs/dbraw/zinc/30/24/00/1070302400.db2.gz XVGZGLIBWWGCLC-AWEZNQCLSA-N 0 0 457.936 0.796 20 30 JCEDRN C#CCO[C@H](C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001136110095 1070302753 /nfs/dbraw/zinc/30/27/53/1070302753.db2.gz XVGZGLIBWWGCLC-CQSZACIVSA-N 0 0 457.936 0.796 20 30 JCEDRN CNS(=O)(=O)c1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 ZINC001136146406 1070307655 /nfs/dbraw/zinc/30/76/55/1070307655.db2.gz XIECQZKDYQPCAF-LLVKDONJSA-N 0 0 456.571 0.790 20 30 JCEDRN CNS(=O)(=O)c1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 ZINC001136146407 1070307378 /nfs/dbraw/zinc/30/73/78/1070307378.db2.gz XIECQZKDYQPCAF-NSHDSACASA-N 0 0 456.571 0.790 20 30 JCEDRN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001136149206 1070307602 /nfs/dbraw/zinc/30/76/02/1070307602.db2.gz AUDMRPBUIDWKLC-KRWDZBQOSA-N 0 0 452.533 0.931 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(c4ccccn4)CC3)CC2)cc1 ZINC001136149292 1070307521 /nfs/dbraw/zinc/30/75/21/1070307521.db2.gz FFKOYPCSZHVNOR-UHFFFAOYSA-N 0 0 454.556 0.608 20 30 JCEDRN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)C1CCOCC1 ZINC001136149383 1070307439 /nfs/dbraw/zinc/30/74/39/1070307439.db2.gz IOZXHQPYMXVREL-HNNXBMFYSA-N 0 0 455.558 0.373 20 30 JCEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)C1CCOCC1 ZINC001136149384 1070307310 /nfs/dbraw/zinc/30/73/10/1070307310.db2.gz IOZXHQPYMXVREL-OAHLLOKOSA-N 0 0 455.558 0.373 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)s1 ZINC001136226631 1070313975 /nfs/dbraw/zinc/31/39/75/1070313975.db2.gz GYIHYXWLLRWRHL-UHFFFAOYSA-N 0 0 454.618 0.768 20 30 JCEDRN CN1CCN(C(=O)c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC001136229444 1070314014 /nfs/dbraw/zinc/31/40/14/1070314014.db2.gz WMGTYHDWWRRFHK-UHFFFAOYSA-N 0 0 455.540 0.541 20 30 JCEDRN C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)nn1 ZINC001136284890 1070319597 /nfs/dbraw/zinc/31/95/97/1070319597.db2.gz HAYNPWRTFINBNG-UHFFFAOYSA-N 0 0 453.546 0.323 20 30 JCEDRN C=CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001136358080 1070334805 /nfs/dbraw/zinc/33/48/05/1070334805.db2.gz DIRFQABIHCDFAS-CABCVRRESA-N 0 0 450.579 0.612 20 30 JCEDRN C=CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001136358081 1070334885 /nfs/dbraw/zinc/33/48/85/1070334885.db2.gz DIRFQABIHCDFAS-GJZGRUSLSA-N 0 0 450.579 0.612 20 30 JCEDRN C=CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001136358082 1070334829 /nfs/dbraw/zinc/33/48/29/1070334829.db2.gz DIRFQABIHCDFAS-HUUCEWRRSA-N 0 0 450.579 0.612 20 30 JCEDRN C=CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001136358083 1070334947 /nfs/dbraw/zinc/33/49/47/1070334947.db2.gz DIRFQABIHCDFAS-LSDHHAIUSA-N 0 0 450.579 0.612 20 30 JCEDRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC001136419039 1070338155 /nfs/dbraw/zinc/33/81/55/1070338155.db2.gz VIADAQFYBVIBJK-HRCADAONSA-N 0 0 450.561 0.893 20 30 JCEDRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC001136419040 1070338255 /nfs/dbraw/zinc/33/82/55/1070338255.db2.gz VIADAQFYBVIBJK-OWCLPIDISA-N 0 0 450.561 0.893 20 30 JCEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001136427553 1070339244 /nfs/dbraw/zinc/33/92/44/1070339244.db2.gz PTYFBPSUAPIXCT-BHYGNILZSA-N 0 0 455.558 0.420 20 30 JCEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001136427554 1070339360 /nfs/dbraw/zinc/33/93/60/1070339360.db2.gz PTYFBPSUAPIXCT-UAGQMJEPSA-N 0 0 455.558 0.420 20 30 JCEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001136427555 1070339418 /nfs/dbraw/zinc/33/94/18/1070339418.db2.gz PTYFBPSUAPIXCT-USXIJHARSA-N 0 0 455.558 0.420 20 30 JCEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001136427556 1070339475 /nfs/dbraw/zinc/33/94/75/1070339475.db2.gz PTYFBPSUAPIXCT-XIRDDKMYSA-N 0 0 455.558 0.420 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001136457795 1070340687 /nfs/dbraw/zinc/34/06/87/1070340687.db2.gz DMFIYWKDWHGYBS-UHFFFAOYSA-N 0 0 452.533 0.201 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC001136478506 1070341420 /nfs/dbraw/zinc/34/14/20/1070341420.db2.gz ZEQUSRCWEGQKSO-UHFFFAOYSA-N 0 0 456.528 0.087 20 30 JCEDRN C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)N=C1NS(=O)(=O)c2ccccc21 ZINC001136518203 1070345493 /nfs/dbraw/zinc/34/54/93/1070345493.db2.gz AUQDFJKXYJMYPW-AWEZNQCLSA-N 0 0 457.512 0.589 20 30 JCEDRN C[C@H](CC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)N=C1NS(=O)(=O)c2ccccc21 ZINC001136518204 1070345532 /nfs/dbraw/zinc/34/55/32/1070345532.db2.gz AUQDFJKXYJMYPW-CQSZACIVSA-N 0 0 457.512 0.589 20 30 JCEDRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC001136613147 1070351372 /nfs/dbraw/zinc/35/13/72/1070351372.db2.gz JYHYMERQKQOREA-GXTWGEPZSA-N 0 0 452.920 0.326 20 30 JCEDRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC001136613148 1070351706 /nfs/dbraw/zinc/35/17/06/1070351706.db2.gz JYHYMERQKQOREA-JSGCOSHPSA-N 0 0 452.920 0.326 20 30 JCEDRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC001136613149 1070351632 /nfs/dbraw/zinc/35/16/32/1070351632.db2.gz JYHYMERQKQOREA-OCCSQVGLSA-N 0 0 452.920 0.326 20 30 JCEDRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC001136613150 1070351610 /nfs/dbraw/zinc/35/16/10/1070351610.db2.gz JYHYMERQKQOREA-TZMCWYRMSA-N 0 0 452.920 0.326 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC001136626184 1070352476 /nfs/dbraw/zinc/35/24/76/1070352476.db2.gz PGJWXPCHTUQJAN-KRWDZBQOSA-N 0 0 450.517 0.059 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC001136626185 1070352493 /nfs/dbraw/zinc/35/24/93/1070352493.db2.gz PGJWXPCHTUQJAN-QGZVFWFLSA-N 0 0 450.517 0.059 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001136632620 1070354346 /nfs/dbraw/zinc/35/43/46/1070354346.db2.gz DZYILZVKXNNYTM-GBXCKJPGSA-N 0 0 456.543 0.432 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001136632621 1070354239 /nfs/dbraw/zinc/35/42/39/1070354239.db2.gz DZYILZVKXNNYTM-HYBUGGRVSA-N 0 0 456.543 0.432 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001136632622 1070354285 /nfs/dbraw/zinc/35/42/85/1070354285.db2.gz DZYILZVKXNNYTM-RDPSFJRHSA-N 0 0 456.543 0.432 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001136632623 1070354188 /nfs/dbraw/zinc/35/41/88/1070354188.db2.gz DZYILZVKXNNYTM-YKSBVNFPSA-N 0 0 456.543 0.432 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CC1 ZINC001136632937 1070353819 /nfs/dbraw/zinc/35/38/19/1070353819.db2.gz TYBQOEDNJJBMOL-UHFFFAOYSA-N 0 0 454.571 0.978 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC001136632947 1070353798 /nfs/dbraw/zinc/35/37/98/1070353798.db2.gz UGYBTCMXSBEQOA-UHFFFAOYSA-N 0 0 456.362 0.750 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 ZINC001136632957 1070354329 /nfs/dbraw/zinc/35/43/29/1070354329.db2.gz UQCAXJMIDYFLFE-UHFFFAOYSA-N 0 0 454.574 0.000 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001136632962 1070353894 /nfs/dbraw/zinc/35/38/94/1070353894.db2.gz VDINHRMRCINEIF-FQEVSTJZSA-N 0 0 455.515 0.792 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001136632963 1070354007 /nfs/dbraw/zinc/35/40/07/1070354007.db2.gz VDINHRMRCINEIF-HXUWFJFHSA-N 0 0 455.515 0.792 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001136632997 1070354141 /nfs/dbraw/zinc/35/41/41/1070354141.db2.gz WHLUEHTUWOWYQP-IBGZPJMESA-N 0 0 450.499 0.047 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001136632998 1070354073 /nfs/dbraw/zinc/35/40/73/1070354073.db2.gz WHLUEHTUWOWYQP-LJQANCHMSA-N 0 0 450.499 0.047 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 ZINC001136633065 1070354401 /nfs/dbraw/zinc/35/44/01/1070354401.db2.gz YXPDQITYDDXGCU-IBGZPJMESA-N 0 0 450.543 0.699 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 ZINC001136633066 1070353942 /nfs/dbraw/zinc/35/39/42/1070353942.db2.gz YXPDQITYDDXGCU-LJQANCHMSA-N 0 0 450.543 0.699 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 ZINC001136633082 1070354464 /nfs/dbraw/zinc/35/44/64/1070354464.db2.gz ZUBXFGRIFGAMLF-XMMPIXPASA-N 0 0 458.559 0.425 20 30 JCEDRN CN(c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1)S(C)(=O)=O ZINC001136662354 1070360520 /nfs/dbraw/zinc/36/05/20/1070360520.db2.gz ICMGZPSNLKXKGP-UHFFFAOYSA-N 0 0 450.542 0.827 20 30 JCEDRN CS(=O)(=O)CCN1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001136668188 1070361898 /nfs/dbraw/zinc/36/18/98/1070361898.db2.gz HRCUOAJSDPRNPY-UHFFFAOYSA-N 0 0 456.590 0.131 20 30 JCEDRN CS(=O)(=O)c1ccc(OCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC001136669499 1070362138 /nfs/dbraw/zinc/36/21/38/1070362138.db2.gz FWYFQAKXPQKUCX-UHFFFAOYSA-N 0 0 451.526 0.714 20 30 JCEDRN C#CCCNC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC001136769234 1070368202 /nfs/dbraw/zinc/36/82/02/1070368202.db2.gz FVFVKAZCRUVGMR-UHFFFAOYSA-N 0 0 455.558 0.527 20 30 JCEDRN C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001136831682 1070373232 /nfs/dbraw/zinc/37/32/32/1070373232.db2.gz OBJFNOJMZICTBA-UHFFFAOYSA-N 0 0 450.421 0.908 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC001136899561 1070379076 /nfs/dbraw/zinc/37/90/76/1070379076.db2.gz FQXFQISZBXDUTN-ADKRDUOOSA-N 0 0 454.618 0.663 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC001136899562 1070379111 /nfs/dbraw/zinc/37/91/11/1070379111.db2.gz FQXFQISZBXDUTN-SFNQZPIRSA-N 0 0 454.618 0.663 20 30 JCEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001136949301 1070383389 /nfs/dbraw/zinc/38/33/89/1070383389.db2.gz QSVMELILUDJENT-INIZCTEOSA-N 0 0 459.528 0.312 20 30 JCEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001136949302 1070383196 /nfs/dbraw/zinc/38/31/96/1070383196.db2.gz QSVMELILUDJENT-MRXNPFEDSA-N 0 0 459.528 0.312 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1 ZINC001137110851 1070272326 /nfs/dbraw/zinc/27/23/26/1070272326.db2.gz UWMQZGMSFMNINB-HOTGVXAUSA-N 0 0 459.528 0.683 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 ZINC001137110852 1070272341 /nfs/dbraw/zinc/27/23/41/1070272341.db2.gz UWMQZGMSFMNINB-HZPDHXFCSA-N 0 0 459.528 0.683 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC001137110853 1070272792 /nfs/dbraw/zinc/27/27/92/1070272792.db2.gz UWMQZGMSFMNINB-IYBDPMFKSA-N 0 0 459.528 0.683 20 30 JCEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001137220851 1070330795 /nfs/dbraw/zinc/33/07/95/1070330795.db2.gz WSOGBPNFFRNIOC-IBGZPJMESA-N 0 0 450.561 0.110 20 30 JCEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001137220852 1070331115 /nfs/dbraw/zinc/33/11/15/1070331115.db2.gz WSOGBPNFFRNIOC-LJQANCHMSA-N 0 0 450.561 0.110 20 30 JCEDRN CN1CCN(C(=O)Cc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 ZINC001137232989 1070333409 /nfs/dbraw/zinc/33/34/09/1070333409.db2.gz NMDOZPPBOJNYDI-UHFFFAOYSA-N 0 0 455.540 0.680 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC001137315428 1070849095 /nfs/dbraw/zinc/84/90/95/1070849095.db2.gz ZXLIPQJOWOLQOZ-UHFFFAOYSA-N 0 0 453.464 0.642 20 30 JCEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001137330106 1070849658 /nfs/dbraw/zinc/84/96/58/1070849658.db2.gz BSDXWIOTUQVIDZ-INIZCTEOSA-N 0 0 453.565 0.868 20 30 JCEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001137330107 1070849548 /nfs/dbraw/zinc/84/95/48/1070849548.db2.gz BSDXWIOTUQVIDZ-MRXNPFEDSA-N 0 0 453.565 0.868 20 30 JCEDRN COC[C@](C)(C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC001137349189 1070850353 /nfs/dbraw/zinc/85/03/53/1070850353.db2.gz JHAIDKIOCXLPPN-FQEVSTJZSA-N 0 0 452.533 0.353 20 30 JCEDRN COC[C@@](C)(C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC001137349190 1070850576 /nfs/dbraw/zinc/85/05/76/1070850576.db2.gz JHAIDKIOCXLPPN-HXUWFJFHSA-N 0 0 452.533 0.353 20 30 JCEDRN CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)CC#N)CC1 ZINC001137368710 1070853569 /nfs/dbraw/zinc/85/35/69/1070853569.db2.gz BPPXVANHKAZTTE-INIZCTEOSA-N 0 0 454.936 0.458 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)CC#N)CC1 ZINC001137368711 1070853838 /nfs/dbraw/zinc/85/38/38/1070853838.db2.gz BPPXVANHKAZTTE-MRXNPFEDSA-N 0 0 454.936 0.458 20 30 JCEDRN N#CCC(=O)N1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 ZINC001137371784 1070855489 /nfs/dbraw/zinc/85/54/89/1070855489.db2.gz XIJWZLNGQABGLD-UHFFFAOYSA-N 0 0 451.228 0.465 20 30 JCEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC001137772247 1071284619 /nfs/dbraw/zinc/28/46/19/1071284619.db2.gz LYJHXVVNWKVBKO-IBGZPJMESA-N 0 0 454.570 0.750 20 30 JCEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC001137772248 1071284721 /nfs/dbraw/zinc/28/47/21/1071284721.db2.gz LYJHXVVNWKVBKO-LJQANCHMSA-N 0 0 454.570 0.750 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)Cc3cnc(N)nc3)cn2n1 ZINC001138167876 1071298540 /nfs/dbraw/zinc/29/85/40/1071298540.db2.gz MOZJLVDAKNVDRQ-IBGZPJMESA-N 0 0 490.572 0.935 20 30 JCEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001138185975 1071299502 /nfs/dbraw/zinc/29/95/02/1071299502.db2.gz ZQVTVZPFDGTAFW-UHFFFAOYSA-N 0 0 458.496 0.956 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)cc1 ZINC001138205305 1071300822 /nfs/dbraw/zinc/30/08/22/1071300822.db2.gz XNSXUKUJEUSMBR-UHFFFAOYSA-N 0 0 450.538 0.948 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ccc1F ZINC001138216130 1071300880 /nfs/dbraw/zinc/30/08/80/1071300880.db2.gz KLPSLLCHHHOXRH-UHFFFAOYSA-N 0 0 457.509 0.160 20 30 JCEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C1CCN(c3ccc(C#N)cc3F)CC1)C2 ZINC001138250056 1071302856 /nfs/dbraw/zinc/30/28/56/1071302856.db2.gz MKJSSYAVJCRUCJ-UHFFFAOYSA-N 0 0 455.494 0.403 20 30 JCEDRN Cc1nn(C)c(N2CCN(C(=O)c3c(C)cc(=O)n(CC(=O)NC(C)C)c3C)CC2)c1C#N ZINC001138262957 1071303581 /nfs/dbraw/zinc/30/35/81/1071303581.db2.gz YMQOOGLQFKVERZ-UHFFFAOYSA-N 0 0 453.547 0.866 20 30 JCEDRN C#CCOc1ccc(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1OC ZINC001138345182 1071305894 /nfs/dbraw/zinc/30/58/94/1071305894.db2.gz LGLDEFAQEKPZQH-NNMXDRDESA-N 0 0 462.568 0.801 20 30 JCEDRN C#CCOc1ccc(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1OC ZINC001138345183 1071306498 /nfs/dbraw/zinc/30/64/98/1071306498.db2.gz LGLDEFAQEKPZQH-WOIUINJBSA-N 0 0 462.568 0.801 20 30 JCEDRN C#CCOc1ccc(CN2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1OC ZINC001138348193 1071306672 /nfs/dbraw/zinc/30/66/72/1071306672.db2.gz HEOAIFJDTCYEBX-OALUTQOASA-N 0 0 458.559 0.804 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001139102122 1071314702 /nfs/dbraw/zinc/31/47/02/1071314702.db2.gz IGWGTHTVPCYRSS-HNNXBMFYSA-N 0 0 454.574 0.642 20 30 JCEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001139102126 1071314206 /nfs/dbraw/zinc/31/42/06/1071314206.db2.gz IGWGTHTVPCYRSS-OAHLLOKOSA-N 0 0 454.574 0.642 20 30 JCEDRN CN(CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001139556073 1071316482 /nfs/dbraw/zinc/31/64/82/1071316482.db2.gz MIJHJRJVSDZLFM-UHFFFAOYSA-N 0 0 454.505 0.413 20 30 JCEDRN COc1ccccc1CCNC(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001139652380 1071317294 /nfs/dbraw/zinc/31/72/94/1071317294.db2.gz PLCSGOUODZQOKP-UHFFFAOYSA-N 0 0 458.540 0.989 20 30 JCEDRN Cn1cc([C@@H]2[C@@H](C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001139788403 1071318787 /nfs/dbraw/zinc/31/87/87/1071318787.db2.gz QASAZYHJKZIOOT-MTQWCTHYSA-N 0 0 456.934 0.973 20 30 JCEDRN Cn1cc([C@@H]2[C@@H](C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001139788404 1071318586 /nfs/dbraw/zinc/31/85/86/1071318586.db2.gz QASAZYHJKZIOOT-UAFMIMERSA-N 0 0 456.934 0.973 20 30 JCEDRN CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC001139811238 1071319378 /nfs/dbraw/zinc/31/93/78/1071319378.db2.gz HTSQLUMKNCVDEE-FQEVSTJZSA-N 0 0 456.524 0.702 20 30 JCEDRN CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC001139811239 1071319421 /nfs/dbraw/zinc/31/94/21/1071319421.db2.gz HTSQLUMKNCVDEE-HXUWFJFHSA-N 0 0 456.524 0.702 20 30 JCEDRN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC001139811265 1071319400 /nfs/dbraw/zinc/31/94/00/1071319400.db2.gz IRPINYHSKNIFTD-FOIQADDNSA-N 0 0 456.524 0.748 20 30 JCEDRN C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC001139811266 1071319343 /nfs/dbraw/zinc/31/93/43/1071319343.db2.gz IRPINYHSKNIFTD-MGPUTAFESA-N 0 0 456.524 0.748 20 30 JCEDRN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC001139811267 1071319291 /nfs/dbraw/zinc/31/92/91/1071319291.db2.gz IRPINYHSKNIFTD-QRWLVFNGSA-N 0 0 456.524 0.748 20 30 JCEDRN C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC001139811268 1071319324 /nfs/dbraw/zinc/31/93/24/1071319324.db2.gz IRPINYHSKNIFTD-YWZLYKJASA-N 0 0 456.524 0.748 20 30 JCEDRN CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1nccn1C ZINC001139811343 1071319215 /nfs/dbraw/zinc/31/92/15/1071319215.db2.gz KFAOXIRLLDJBHD-HOJAQTOUSA-N 0 0 450.499 0.497 20 30 JCEDRN CCN1C(=O)CO[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1nccn1C ZINC001139811344 1071319180 /nfs/dbraw/zinc/31/91/80/1071319180.db2.gz KFAOXIRLLDJBHD-IHPCNDPISA-N 0 0 450.499 0.497 20 30 JCEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)C2=O)cc1 ZINC001139811446 1071319122 /nfs/dbraw/zinc/31/91/22/1071319122.db2.gz MOHOCOAXBIKHBN-NRFANRHFSA-N 0 0 457.490 0.847 20 30 JCEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)C2=O)cc1 ZINC001139811447 1071319242 /nfs/dbraw/zinc/31/92/42/1071319242.db2.gz MOHOCOAXBIKHBN-OAQYLSRUSA-N 0 0 457.490 0.847 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3O)n2)CC1 ZINC001140132275 1071319841 /nfs/dbraw/zinc/31/98/41/1071319841.db2.gz BLRQQYLFVHZMOZ-UHFFFAOYSA-N 0 0 455.540 0.846 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)c2cnn(C(C)(C)C)c2I)CC1 ZINC001140132305 1071319906 /nfs/dbraw/zinc/31/99/06/1071319906.db2.gz CXHMNAAQLPRWPZ-UHFFFAOYSA-N 0 0 457.316 0.750 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC001140132320 1071319759 /nfs/dbraw/zinc/31/97/59/1071319759.db2.gz DNUNTUNYOCAFHY-UHFFFAOYSA-N 0 0 452.309 0.687 20 30 JCEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC001140132792 1071319890 /nfs/dbraw/zinc/31/98/90/1071319890.db2.gz OUFQQWCYXOMYGH-SFHVURJKSA-N 0 0 455.515 0.348 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1 ZINC001140242163 1071321480 /nfs/dbraw/zinc/32/14/80/1071321480.db2.gz JBBVNCCFMYCLJO-DLBZAZTESA-N 0 0 450.517 0.733 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1 ZINC001140242165 1071321531 /nfs/dbraw/zinc/32/15/31/1071321531.db2.gz JBBVNCCFMYCLJO-IAGOWNOFSA-N 0 0 450.517 0.733 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1 ZINC001140242167 1071321599 /nfs/dbraw/zinc/32/15/99/1071321599.db2.gz JBBVNCCFMYCLJO-IRXDYDNUSA-N 0 0 450.517 0.733 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1 ZINC001140242169 1071321556 /nfs/dbraw/zinc/32/15/56/1071321556.db2.gz JBBVNCCFMYCLJO-SJORKVTESA-N 0 0 450.517 0.733 20 30 JCEDRN Cc1ccc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1S(=O)(=O)NCC#N ZINC001140483334 1071326003 /nfs/dbraw/zinc/32/60/03/1071326003.db2.gz GQWLXEILXMLJNL-CYBMUJFWSA-N 0 0 456.468 0.349 20 30 JCEDRN Cc1ccc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1S(=O)(=O)NCC#N ZINC001140483335 1071326200 /nfs/dbraw/zinc/32/62/00/1071326200.db2.gz GQWLXEILXMLJNL-ZDUSSCGKSA-N 0 0 456.468 0.349 20 30 JCEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001140713590 1071327900 /nfs/dbraw/zinc/32/79/00/1071327900.db2.gz HUDBAMKEHGAJOX-UHFFFAOYSA-N 0 0 458.562 0.842 20 30 JCEDRN C[C@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001140722990 1071328944 /nfs/dbraw/zinc/32/89/44/1071328944.db2.gz GKDBZMPQWUYBCG-ZBFHGGJFSA-N 0 0 458.544 0.658 20 30 JCEDRN N#Cc1c(N)sc(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c1Cl ZINC001141109174 1071330072 /nfs/dbraw/zinc/33/00/72/1071330072.db2.gz JYUHUZXTOYPOEF-NJZAAPMLSA-N 0 0 458.993 0.949 20 30 JCEDRN N#Cc1c(N)sc(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c1Cl ZINC001141109177 1071329965 /nfs/dbraw/zinc/32/99/65/1071329965.db2.gz JYUHUZXTOYPOEF-UXIGCNINSA-N 0 0 458.993 0.949 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1Cc1sc(N)c(C#N)c1Cl)C(=O)NCC(N)=O ZINC001141114403 1071330089 /nfs/dbraw/zinc/33/00/89/1071330089.db2.gz NKVBRCUYJQTBGU-STQMWFEESA-N 0 0 454.984 0.952 20 30 JCEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)cc1 ZINC001141165340 1071330550 /nfs/dbraw/zinc/33/05/50/1071330550.db2.gz RZSQKCTYSUPYCB-UHFFFAOYSA-N 0 0 451.526 0.908 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](CO)c2cc(OC)ccc2Br)C1=O ZINC001141176344 1071330626 /nfs/dbraw/zinc/33/06/26/1071330626.db2.gz DZUGUPITSVPXFA-AWEZNQCLSA-N 0 0 454.277 0.926 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](CO)c2cc(OC)ccc2Br)C1=O ZINC001141176345 1071330492 /nfs/dbraw/zinc/33/04/92/1071330492.db2.gz DZUGUPITSVPXFA-CQSZACIVSA-N 0 0 454.277 0.926 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC001141313166 1071331930 /nfs/dbraw/zinc/33/19/30/1071331930.db2.gz VONSJEFUUZPQND-VGOFRKELSA-N 0 0 475.571 0.884 20 30 JCEDRN CS(=O)(=O)N=S1(=O)CCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC001141411144 1071334843 /nfs/dbraw/zinc/33/48/43/1071334843.db2.gz POQILPGVYPROJG-UHFFFAOYSA-N 0 0 450.336 0.969 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)s1 ZINC001141411374 1071335328 /nfs/dbraw/zinc/33/53/28/1071335328.db2.gz VLMBQEITANCHIC-UHFFFAOYSA-N 0 0 455.605 0.025 20 30 JCEDRN CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCS1(=O)=O ZINC001141411879 1071335086 /nfs/dbraw/zinc/33/50/86/1071335086.db2.gz QBMDCIDDZLADDF-GOSISDBHSA-N 0 0 454.574 0.451 20 30 JCEDRN CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCS1(=O)=O ZINC001141411880 1071335186 /nfs/dbraw/zinc/33/51/86/1071335186.db2.gz QBMDCIDDZLADDF-SFHVURJKSA-N 0 0 454.574 0.451 20 30 JCEDRN Cc1nnc(CC(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)o1 ZINC001142004125 1069702312 /nfs/dbraw/zinc/70/23/12/1069702312.db2.gz IGVMYHJRPIWBQL-GOSISDBHSA-N 0 0 481.488 0.625 20 30 JCEDRN C=C(C)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1O ZINC001142508356 1070023026 /nfs/dbraw/zinc/02/30/26/1070023026.db2.gz UVOXUTGMGOPJDT-VGKBRBPRSA-N 0 0 489.510 0.674 20 30 JCEDRN N#Cc1cn(CCC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(=O)[n-]c1=O ZINC001142609493 1070164822 /nfs/dbraw/zinc/16/48/22/1070164822.db2.gz JTVZJGQTKUAKFH-GOSISDBHSA-N 0 0 451.531 0.666 20 30 JCEDRN N#Cc1cn(CCC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(=O)[n-]c1=O ZINC001142609494 1070164628 /nfs/dbraw/zinc/16/46/28/1070164628.db2.gz JTVZJGQTKUAKFH-SFHVURJKSA-N 0 0 451.531 0.666 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@H]3[C@@H]4COC[C@@H]43)cn2n1 ZINC001142641914 1070194441 /nfs/dbraw/zinc/19/44/41/1070194441.db2.gz QHRKYPNCZRKHRE-PSHVLCQKSA-N 0 0 493.568 0.782 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001142644870 1070197492 /nfs/dbraw/zinc/19/74/92/1070197492.db2.gz OOQIGIKXVUXUFW-IWQHBPENSA-N 0 0 467.501 0.583 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C1(C(C)C)CCC1)C(=O)OCC ZINC001142654687 1070203673 /nfs/dbraw/zinc/20/36/73/1070203673.db2.gz FBPYMHSCUCGQSE-HOTGVXAUSA-N 0 0 487.619 0.735 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)C3(C)COC3)cn2n1 ZINC001143389747 1067762022 /nfs/dbraw/zinc/76/20/22/1067762022.db2.gz MJFSQQDAPLLZIF-SFHVURJKSA-N 0 0 481.557 0.926 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)C3(C)COC3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001143391406 1067764155 /nfs/dbraw/zinc/76/41/55/1067764155.db2.gz VNDBYFGKJVSOEI-GOSISDBHSA-N 0 0 455.490 0.728 20 30 JCEDRN CC(C)(C#N)C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001143399298 1067776247 /nfs/dbraw/zinc/77/62/47/1067776247.db2.gz MSJLIBFOMWKARP-IRXDYDNUSA-N 0 0 461.517 0.985 20 30 JCEDRN CC(C)[C@H](NC(=O)C(C)(C)C#N)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001143405022 1067780065 /nfs/dbraw/zinc/78/00/65/1067780065.db2.gz SKKZYALOCVYSAV-ROUUACIJSA-N 0 0 474.562 0.505 20 30 JCEDRN CC(C)(C#N)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001143407568 1067781998 /nfs/dbraw/zinc/78/19/98/1067781998.db2.gz FFIWKVWWPMGVKV-JKQORVJESA-N 0 0 466.608 0.519 20 30 JCEDRN Cc1ccc(OCC(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001143431869 1067804703 /nfs/dbraw/zinc/80/47/03/1067804703.db2.gz VIQLERBQCUXZMS-UHFFFAOYSA-N 0 0 456.524 0.895 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)[C@@H]1CCCS1(=O)=O ZINC001143475192 1067919759 /nfs/dbraw/zinc/91/97/59/1067919759.db2.gz VYTDZISZDKSWEU-ULQDDVLXSA-N 0 0 470.567 0.646 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)[C@H]1CCCS1(=O)=O ZINC001143475193 1067920327 /nfs/dbraw/zinc/92/03/27/1067920327.db2.gz VYTDZISZDKSWEU-YESZJQIVSA-N 0 0 470.567 0.646 20 30 JCEDRN COc1cc(C[C@@H](O)C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccc1O ZINC001143592523 1069626446 /nfs/dbraw/zinc/62/64/46/1069626446.db2.gz BDKXVJGVCNNZGB-BWKNWUBXSA-N 0 0 481.505 0.837 20 30 JCEDRN COc1cc(C[C@H](O)C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccc1O ZINC001143592526 1069626760 /nfs/dbraw/zinc/62/67/60/1069626760.db2.gz BDKXVJGVCNNZGB-OFVILXPXSA-N 0 0 481.505 0.837 20 30 JCEDRN COc1cc(C[C@@H](O)C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccc1O ZINC001143592529 1069626431 /nfs/dbraw/zinc/62/64/31/1069626431.db2.gz BDKXVJGVCNNZGB-PXDATVDWSA-N 0 0 481.505 0.837 20 30 JCEDRN COc1cc(C[C@H](O)C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccc1O ZINC001143592530 1069626603 /nfs/dbraw/zinc/62/66/03/1069626603.db2.gz BDKXVJGVCNNZGB-SQJMNOBHSA-N 0 0 481.505 0.837 20 30 JCEDRN CC(=CC(=O)N[C@H]1[C@H](n2ccc(N)nc2=O)O[C@H](CO)[C@H]1O)C(=O)c1ccc(Br)cc1 ZINC001143887219 1070408284 /nfs/dbraw/zinc/40/82/84/1070408284.db2.gz YPKSEEWXXIFPOS-SQAGZWLTSA-N 0 0 493.314 0.395 20 30 JCEDRN C/C(=C\C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)c1ccc(Br)cc1 ZINC001143891180 1070408351 /nfs/dbraw/zinc/40/83/51/1070408351.db2.gz YAKXAKQWQFCKHC-ZCZARRJXSA-N 0 0 458.305 0.538 20 30 JCEDRN CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@H](C#N)C1 ZINC001143945727 1070409071 /nfs/dbraw/zinc/40/90/71/1070409071.db2.gz AOQSNVQOXKCHQO-DOMZBBRYSA-N 0 0 458.334 0.733 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@H](C#N)C1 ZINC001143945728 1070409312 /nfs/dbraw/zinc/40/93/12/1070409312.db2.gz AOQSNVQOXKCHQO-IUODEOHRSA-N 0 0 458.334 0.733 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@@H](C#N)C1 ZINC001143945729 1070409317 /nfs/dbraw/zinc/40/93/17/1070409317.db2.gz AOQSNVQOXKCHQO-SWLSCSKDSA-N 0 0 458.334 0.733 20 30 JCEDRN CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@@H](C#N)C1 ZINC001143945730 1070409286 /nfs/dbraw/zinc/40/92/86/1070409286.db2.gz AOQSNVQOXKCHQO-WFASDCNBSA-N 0 0 458.334 0.733 20 30 JCEDRN CCC(=O)C(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001143960418 1070409148 /nfs/dbraw/zinc/40/91/48/1070409148.db2.gz RPNVRRZDOMEFJI-KRWDZBQOSA-N 0 0 467.530 0.868 20 30 JCEDRN O=C(CCS)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001143978908 1070410762 /nfs/dbraw/zinc/41/07/62/1070410762.db2.gz YEZAKSBMTGQCSR-WCABBAIRSA-N 0 0 464.285 0.935 20 30 JCEDRN O=C(CCS)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001143986345 1070410686 /nfs/dbraw/zinc/41/06/86/1070410686.db2.gz JIRSALSRMFMFSW-HOTGVXAUSA-N 0 0 454.547 0.756 20 30 JCEDRN C/C=C/C=C/C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001144008676 1070411908 /nfs/dbraw/zinc/41/19/08/1070411908.db2.gz PMYCXJQTTSFZMX-ZJNIJISLSA-N 0 0 457.549 0.041 20 30 JCEDRN C=CC[C@@H](C)C(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001144020622 1070411948 /nfs/dbraw/zinc/41/19/48/1070411948.db2.gz GNDANROEOGOLBX-APRPGRFWSA-N 0 0 482.541 0.808 20 30 JCEDRN C=CC[C@H](C)C(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001144020623 1070411688 /nfs/dbraw/zinc/41/16/88/1070411688.db2.gz GNDANROEOGOLBX-BNPXBDBPSA-N 0 0 482.541 0.808 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC001144026833 1070411935 /nfs/dbraw/zinc/41/19/35/1070411935.db2.gz LHTLPSGEACVFKP-UHFFFAOYSA-N 0 0 450.486 0.529 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 ZINC001144026854 1070411743 /nfs/dbraw/zinc/41/17/43/1070411743.db2.gz LODVLEBKDDKNAA-UHFFFAOYSA-N 0 0 458.540 0.655 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)CC1 ZINC001144026872 1070411941 /nfs/dbraw/zinc/41/19/41/1070411941.db2.gz LTTFKRVQYIXWDK-UHFFFAOYSA-N 0 0 456.572 0.960 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 ZINC001144027565 1070411780 /nfs/dbraw/zinc/41/17/80/1070411780.db2.gz NUKCWPLTQFBWEG-UHFFFAOYSA-N 0 0 459.506 0.775 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)COc2cccc(I)c2)CC1 ZINC001144028571 1070411918 /nfs/dbraw/zinc/41/19/18/1070411918.db2.gz UOFKJHYFQZCGHK-UHFFFAOYSA-N 0 0 455.296 0.954 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 ZINC001144028611 1070411848 /nfs/dbraw/zinc/41/18/48/1070411848.db2.gz VDEQFXKUGJSNER-UHFFFAOYSA-N 0 0 459.490 0.849 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC001144028675 1070412956 /nfs/dbraw/zinc/41/29/56/1070412956.db2.gz VMWPVBNUNFQNQK-UHFFFAOYSA-N 0 0 452.458 0.310 20 30 JCEDRN C#CCNC(=O)CN1CCCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CC1 ZINC001144028722 1070412588 /nfs/dbraw/zinc/41/25/88/1070412588.db2.gz WCFNLGONEZACER-UHFFFAOYSA-N 0 0 454.499 0.303 20 30 JCEDRN C=CC[C@@H](C)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001144028968 1070412664 /nfs/dbraw/zinc/41/26/64/1070412664.db2.gz OFHCJDALSOTFJG-ILXRZTDVSA-N 0 0 459.565 0.121 20 30 JCEDRN C=CC[C@H](C)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001144028971 1070412620 /nfs/dbraw/zinc/41/26/20/1070412620.db2.gz OFHCJDALSOTFJG-KKUMJFAQSA-N 0 0 459.565 0.121 20 30 JCEDRN C=CCC(C)(C)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001144077601 1070413587 /nfs/dbraw/zinc/41/35/87/1070413587.db2.gz DMZFVWLXBJPMNQ-GJZGRUSLSA-N 0 0 473.592 0.511 20 30 JCEDRN CNC(=O)/C=C/C(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001144082696 1070413512 /nfs/dbraw/zinc/41/35/12/1070413512.db2.gz HLHGQFFZUOWYEC-DVBCCOPCSA-N 0 0 494.556 0.192 20 30 JCEDRN COC(=O)/C=C/C(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001144101134 1070415563 /nfs/dbraw/zinc/41/55/63/1070415563.db2.gz CLNXGPWOPIVNTF-DVBCCOPCSA-N 0 0 495.540 0.619 20 30 JCEDRN COC(=O)/C=C/C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001144108961 1070415532 /nfs/dbraw/zinc/41/55/32/1070415532.db2.gz ZDQFOCWRSYOQIH-LKGOPFMKSA-N 0 0 469.473 0.420 20 30 JCEDRN CCCC(C)(C)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001144122551 1070415484 /nfs/dbraw/zinc/41/54/84/1070415484.db2.gz AOZYGGNAPLAJBX-GJZGRUSLSA-N 0 0 475.608 0.735 20 30 JCEDRN CC(=O)O[C@@H](C)C(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001144155369 1070417216 /nfs/dbraw/zinc/41/72/16/1070417216.db2.gz KRHHBVNHTNEUAT-LPHOPBHVSA-N 0 0 497.556 0.841 20 30 JCEDRN CC(=O)O[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001144164192 1070416312 /nfs/dbraw/zinc/41/63/12/1070416312.db2.gz PJPOGAUWXUOYMS-IFXJQAMLSA-N 0 0 471.489 0.643 20 30 JCEDRN C=C(C(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1)C(F)(F)F ZINC001144215349 1070418283 /nfs/dbraw/zinc/41/82/83/1070418283.db2.gz OOUQFPBZSDOZFB-GFOCRRMGSA-N 0 0 483.399 0.976 20 30 JCEDRN C=C(C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC)C(F)(F)F ZINC001144215443 1070418599 /nfs/dbraw/zinc/41/85/99/1070418599.db2.gz QINFBYUGRWQITF-RYUDHWBXSA-N 0 0 485.481 0.027 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@]1(C)C[C@@H]2C=C[C@H]1C2)C(=O)OCC ZINC001144288052 1070422969 /nfs/dbraw/zinc/42/29/69/1070422969.db2.gz PKOZRQQTDWCTNW-WBMPEDJVSA-N 0 0 497.614 0.511 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2)C(=O)OCC ZINC001144288053 1070422918 /nfs/dbraw/zinc/42/29/18/1070422918.db2.gz PKOZRQQTDWCTNW-YEIXVKIRSA-N 0 0 497.614 0.511 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2)C(=O)OCC ZINC001144309482 1070422841 /nfs/dbraw/zinc/42/28/41/1070422841.db2.gz SPRWQBMJKOKGAB-FPSMNIFISA-N 0 0 499.630 0.735 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)OCC ZINC001144309483 1070422898 /nfs/dbraw/zinc/42/28/98/1070422898.db2.gz SPRWQBMJKOKGAB-WKULXVSPSA-N 0 0 499.630 0.735 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001144319763 1070423738 /nfs/dbraw/zinc/42/37/38/1070423738.db2.gz FOAQQDZJSPMIDB-RTWAWAEBSA-N 0 0 496.543 0.702 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)[C@@H]2CC(=O)NC(=O)N2)c1N1CCCC1 ZINC001144324461 1070422998 /nfs/dbraw/zinc/42/29/98/1070422998.db2.gz JTDDDSUHAIIFGV-AWEZNQCLSA-N 0 0 463.502 0.408 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)s1 ZINC001144359151 1070426174 /nfs/dbraw/zinc/42/61/74/1070426174.db2.gz KFQNXSAHFZQXJZ-UHFFFAOYSA-N 0 0 455.606 0.267 20 30 JCEDRN CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1)C(C)C ZINC001144367730 1070427330 /nfs/dbraw/zinc/42/73/30/1070427330.db2.gz XJKIHJNXXBVPEK-NFBKMPQASA-N 0 0 498.559 0.852 20 30 JCEDRN CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1)C(C)C ZINC001144367731 1070427177 /nfs/dbraw/zinc/42/71/77/1070427177.db2.gz XJKIHJNXXBVPEK-OFNKIYASSA-N 0 0 498.559 0.852 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)ccc1F ZINC001144392765 1070428849 /nfs/dbraw/zinc/42/88/49/1070428849.db2.gz PNQIBTGTIHYJES-UHFFFAOYSA-N 0 0 455.508 0.916 20 30 JCEDRN CC(=O)N[C@@H](CS)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001144406705 1070429635 /nfs/dbraw/zinc/42/96/35/1070429635.db2.gz PDTOEXQDJCHABP-LXZJYRNTSA-N 0 0 453.586 0.048 20 30 JCEDRN CC(=O)N[C@@H](CS)C(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001144409755 1070429756 /nfs/dbraw/zinc/42/97/56/1070429756.db2.gz WEVKRXKEAOZKSW-ULQDDVLXSA-N 0 0 469.583 0.503 20 30 JCEDRN COc1cc(N(C(=O)[C@H](CS)NC(C)=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001144411022 1070429651 /nfs/dbraw/zinc/42/96/51/1070429651.db2.gz NXOKOZLXMOTIAT-ZDUSSCGKSA-N 0 0 455.518 0.232 20 30 JCEDRN COc1ncnc(N(C(=O)[C@H](CS)NC(C)=O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001144411043 1070429765 /nfs/dbraw/zinc/42/97/65/1070429765.db2.gz OXTMTQBQAXMHSH-ZDUSSCGKSA-N 0 0 455.518 0.232 20 30 JCEDRN CC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001144415456 1070429665 /nfs/dbraw/zinc/42/96/65/1070429665.db2.gz OKBNVLKMQJNPJC-IRXDYDNUSA-N 0 0 457.512 0.925 20 30 JCEDRN CC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCCOCCOCCOCc1ccccc1)C(C)C ZINC001144415521 1070429746 /nfs/dbraw/zinc/42/97/46/1070429746.db2.gz RHLHJKIOADQEOL-SFTDATJTSA-N 0 0 483.631 0.928 20 30 JCEDRN CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC(=O)[C@H](CS)NC(C)=O)C1 ZINC001144417314 1070430680 /nfs/dbraw/zinc/43/06/80/1070430680.db2.gz PTHITVHSOOMRPP-INDMIFKZSA-N 0 0 457.593 0.877 20 30 JCEDRN CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](NC(=O)[C@H](CS)NC(C)=O)C1 ZINC001144417315 1070430745 /nfs/dbraw/zinc/43/07/45/1070430745.db2.gz PTHITVHSOOMRPP-OKYOBFRVSA-N 0 0 457.593 0.877 20 30 JCEDRN CNS(=O)(=O)c1ccc(Br)c(C(=O)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC001144429381 1070431637 /nfs/dbraw/zinc/43/16/37/1070431637.db2.gz TUGGSVFPPPTXLD-JQIJEIRASA-N 0 0 457.306 0.613 20 30 JCEDRN CNS(=O)(=O)c1ccc(Br)c(C(=O)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC001144429382 1070431584 /nfs/dbraw/zinc/43/15/84/1070431584.db2.gz TUGGSVFPPPTXLD-PEZBUJJGSA-N 0 0 457.306 0.613 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)CCCS(N)(=O)=O)c1N1CCCC1 ZINC001144580374 1070434829 /nfs/dbraw/zinc/43/48/29/1070434829.db2.gz KCYYRINTVDOARU-UHFFFAOYSA-N 0 0 472.575 0.879 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)CCCS(N)(=O)=O ZINC001144587583 1070436533 /nfs/dbraw/zinc/43/65/33/1070436533.db2.gz CYGDSNJCLXEQAC-HOTGVXAUSA-N 0 0 473.571 0.137 20 30 JCEDRN O=C(/C=C/C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC001144705122 1070441767 /nfs/dbraw/zinc/44/17/67/1070441767.db2.gz JZPZGEKIWMOTHZ-KQPGTDLCSA-N 0 0 468.535 0.975 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)/C=C/C(=O)c2ccccc2)[C@H]1O ZINC001144713967 1070441624 /nfs/dbraw/zinc/44/16/24/1070441624.db2.gz FVYBQGFZQZMSPQ-WTMOSXOZSA-N 0 0 452.471 0.067 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)/C=C/C(=O)c1ccccc1)C(N)=O ZINC001144714300 1070441597 /nfs/dbraw/zinc/44/15/97/1070441597.db2.gz CMQNBAGNUYLSPX-VCVRMXLYSA-N 0 0 476.599 0.796 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)OCC2=O)cc1 ZINC001144841413 1070447967 /nfs/dbraw/zinc/44/79/67/1070447967.db2.gz GDDAHVMKRDRPST-FQEVSTJZSA-N 0 0 460.537 0.379 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)OCC2=O)cc1 ZINC001144841414 1070447947 /nfs/dbraw/zinc/44/79/47/1070447947.db2.gz GDDAHVMKRDRPST-HXUWFJFHSA-N 0 0 460.537 0.379 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)CN1C(=O)CSC1=S ZINC001144850121 1070448756 /nfs/dbraw/zinc/44/87/56/1070448756.db2.gz NLNSIDPVACEDLD-GJZGRUSLSA-N 0 0 497.618 0.929 20 30 JCEDRN CSCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001144857722 1070449361 /nfs/dbraw/zinc/44/93/61/1070449361.db2.gz TXMQRYVCOFYQRZ-SIKLNZKXSA-N 0 0 460.556 0.777 20 30 JCEDRN CSCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001144857723 1070449525 /nfs/dbraw/zinc/44/95/25/1070449525.db2.gz TXMQRYVCOFYQRZ-UGKGYDQZSA-N 0 0 460.556 0.777 20 30 JCEDRN CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892229 1070455764 /nfs/dbraw/zinc/45/57/64/1070455764.db2.gz GTADTCBGWWSWLG-DFQSSKMNSA-N 0 0 466.494 0.913 20 30 JCEDRN CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892231 1070455774 /nfs/dbraw/zinc/45/57/74/1070455774.db2.gz GTADTCBGWWSWLG-MISYRCLQSA-N 0 0 466.494 0.913 20 30 JCEDRN CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892234 1070455702 /nfs/dbraw/zinc/45/57/02/1070455702.db2.gz GTADTCBGWWSWLG-YSIASYRMSA-N 0 0 466.494 0.913 20 30 JCEDRN CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892236 1070456550 /nfs/dbraw/zinc/45/65/50/1070456550.db2.gz GTADTCBGWWSWLG-YZGWKJHDSA-N 0 0 466.494 0.913 20 30 JCEDRN Cc1ccc(C=C2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC(=Cc3ccc(C)cc3)C2=O)cc1 ZINC001144900404 1070453329 /nfs/dbraw/zinc/45/33/29/1070453329.db2.gz RMRFBHOPFLHIID-FTRFXHFGSA-N 0 0 479.529 0.826 20 30 JCEDRN Cc1ccc(C=C2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC(=Cc3ccc(C)cc3)C2=O)cc1 ZINC001144900405 1070454154 /nfs/dbraw/zinc/45/41/54/1070454154.db2.gz RMRFBHOPFLHIID-LHDMIJJNSA-N 0 0 479.529 0.826 20 30 JCEDRN Cc1ccc(C=C2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC(=Cc3ccc(C)cc3)C2=O)cc1 ZINC001144900406 1070454189 /nfs/dbraw/zinc/45/41/89/1070454189.db2.gz RMRFBHOPFLHIID-LSUMEPBRSA-N 0 0 479.529 0.826 20 30 JCEDRN Cc1ccc(C=C2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC(=Cc3ccc(C)cc3)C2=O)cc1 ZINC001144900407 1070454269 /nfs/dbraw/zinc/45/42/69/1070454269.db2.gz RMRFBHOPFLHIID-WVWAKETLSA-N 0 0 479.529 0.826 20 30 JCEDRN COC(=O)[C@H](CCC(=O)N1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2)NC(C)=O ZINC001144957743 1070462157 /nfs/dbraw/zinc/46/21/57/1070462157.db2.gz ZKIWBAQCXAVKJZ-CVDCTZTESA-N 0 0 457.531 0.857 20 30 JCEDRN COC(=O)[C@H](CCC(=O)N1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2)NC(C)=O ZINC001144957744 1070462328 /nfs/dbraw/zinc/46/23/28/1070462328.db2.gz ZKIWBAQCXAVKJZ-WMZHIEFXSA-N 0 0 457.531 0.857 20 30 JCEDRN C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001145096988 1070470237 /nfs/dbraw/zinc/47/02/37/1070470237.db2.gz WUFYFQZPLULOLN-AAORUROXSA-N 0 0 488.541 0.793 20 30 JCEDRN C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001145096989 1070470094 /nfs/dbraw/zinc/47/00/94/1070470094.db2.gz WUFYFQZPLULOLN-NKNQFRNOSA-N 0 0 488.541 0.793 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001145109415 1070472560 /nfs/dbraw/zinc/47/25/60/1070472560.db2.gz LNDJOGLGMDJDBD-BJKOFHAPSA-N 0 0 488.541 0.795 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001145109426 1070472589 /nfs/dbraw/zinc/47/25/89/1070472589.db2.gz LNDJOGLGMDJDBD-ZEQRLZLVSA-N 0 0 488.541 0.795 20 30 JCEDRN C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001146223312 1070485496 /nfs/dbraw/zinc/48/54/96/1070485496.db2.gz UKTGPLMTTNKYDU-LOEAVSEUSA-N 0 0 493.605 0.579 20 30 JCEDRN C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001146224522 1070485515 /nfs/dbraw/zinc/48/55/15/1070485515.db2.gz UZVWRQRFAUCERL-DIPHDFDASA-N 0 0 497.614 0.576 20 30 JCEDRN C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001146224523 1070485445 /nfs/dbraw/zinc/48/54/45/1070485445.db2.gz UZVWRQRFAUCERL-GIFQPEHOSA-N 0 0 497.614 0.576 20 30 JCEDRN C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146227801 1070485359 /nfs/dbraw/zinc/48/53/59/1070485359.db2.gz BHOJQSLCSCREEZ-VFPDKUSMSA-N 0 0 460.535 0.383 20 30 JCEDRN C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001146228179 1070485560 /nfs/dbraw/zinc/48/55/60/1070485560.db2.gz NQUYENTUZPWUDG-BGESOYAMSA-N 0 0 450.492 0.491 20 30 JCEDRN CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1c(C#N)cnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001146236260 1070486691 /nfs/dbraw/zinc/48/66/91/1070486691.db2.gz PUHHMDGPBVXOEI-UHFFFAOYSA-N 0 0 476.515 0.727 20 30 JCEDRN COc1nc(C(=NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)NO)ccc1-n1cnc(C)c1 ZINC001146247875 1070478726 /nfs/dbraw/zinc/47/87/26/1070478726.db2.gz SUGZQPZXQCAAAA-UHFFFAOYSA-N 0 0 461.479 0.477 20 30 JCEDRN CC1(C)[C@H](C(=O)Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146249057 1070478829 /nfs/dbraw/zinc/47/88/29/1070478829.db2.gz HDRTYPINQPVGAP-CVEARBPZSA-N 0 0 477.524 0.220 20 30 JCEDRN CC1(C)[C@H](C(=O)N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254646 1070482736 /nfs/dbraw/zinc/48/27/36/1070482736.db2.gz MXABRAFOKQYAMA-QTEQDKRBSA-N 0 0 487.582 0.533 20 30 JCEDRN CC1(C)[C@H](C(=O)N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254647 1070482673 /nfs/dbraw/zinc/48/26/73/1070482673.db2.gz MXABRAFOKQYAMA-ZRCGQRJVSA-N 0 0 487.582 0.533 20 30 JCEDRN COCCOc1cc(C#N)c(NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)cc1OCCOC ZINC001146257909 1070498408 /nfs/dbraw/zinc/49/84/08/1070498408.db2.gz VROYLMQLQXQJRM-MOPGFXCFSA-N 0 0 481.527 0.681 20 30 JCEDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(C#CCO)c3)CC2)cc1 ZINC001146355640 1070502474 /nfs/dbraw/zinc/50/24/74/1070502474.db2.gz NLIOUYULJJJPQU-UHFFFAOYSA-N 0 0 457.552 0.921 20 30 JCEDRN C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001146431256 1070508073 /nfs/dbraw/zinc/50/80/73/1070508073.db2.gz IELXNLNXKBOZGL-QMWWYVJASA-N 0 0 460.568 0.977 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001146477786 1070512518 /nfs/dbraw/zinc/51/25/18/1070512518.db2.gz RJVAFYNEBFSAQE-INIZCTEOSA-N 0 0 496.528 0.909 20 30 JCEDRN CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C)C2 ZINC001146480034 1070512595 /nfs/dbraw/zinc/51/25/95/1070512595.db2.gz XRISXBJDMPMDJH-CYFREDJKSA-N 0 0 469.542 0.943 20 30 JCEDRN CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C)C2 ZINC001146480035 1070512612 /nfs/dbraw/zinc/51/26/12/1070512612.db2.gz XRISXBJDMPMDJH-YADARESESA-N 0 0 469.542 0.943 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001146511860 1070517307 /nfs/dbraw/zinc/51/73/07/1070517307.db2.gz RBWMQELCGKABLL-AWEZNQCLSA-N 0 0 470.534 0.386 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001146511863 1070517038 /nfs/dbraw/zinc/51/70/38/1070517038.db2.gz RBWMQELCGKABLL-CQSZACIVSA-N 0 0 470.534 0.386 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001146515641 1070514273 /nfs/dbraw/zinc/51/42/73/1070514273.db2.gz YYLWZRAILCEAIE-INIZCTEOSA-N 0 0 469.546 0.760 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001146515642 1070514200 /nfs/dbraw/zinc/51/42/00/1070514200.db2.gz YYLWZRAILCEAIE-MRXNPFEDSA-N 0 0 469.546 0.760 20 30 JCEDRN N#Cc1c(N)nc(=NC2CC2)n(C(=O)CN2C[C@@H](c3ccc(Br)cc3)OCC2=O)c1N ZINC001146551499 1070517807 /nfs/dbraw/zinc/51/78/07/1070517807.db2.gz GQKOBCYJPOZFQU-HNNXBMFYSA-N 0 0 486.330 0.985 20 30 JCEDRN N#Cc1c(N)nc(=NC2CC2)n(C(=O)CN2C[C@H](c3ccc(Br)cc3)OCC2=O)c1N ZINC001146551500 1070517727 /nfs/dbraw/zinc/51/77/27/1070517727.db2.gz GQKOBCYJPOZFQU-OAHLLOKOSA-N 0 0 486.330 0.985 20 30 JCEDRN CN1CCO[C@H]2CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c3nsc(N)n3)C[C@H]21 ZINC001146631451 1070520574 /nfs/dbraw/zinc/52/05/74/1070520574.db2.gz ANYICQDTIQZEOY-BTFLHTEXSA-N 0 0 454.553 0.503 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1)c1nsc(N)n1 ZINC001146631476 1070520497 /nfs/dbraw/zinc/52/04/97/1070520497.db2.gz BMFMPLQSQUDRAD-JSSKYRGOSA-N 0 0 457.553 0.553 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC[C@H](O)[C@](C)(CO)C1)c1nsc(N)n1 ZINC001146631477 1070520453 /nfs/dbraw/zinc/52/04/53/1070520453.db2.gz BMFMPLQSQUDRAD-OAIGEGKISA-N 0 0 457.553 0.553 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC[C@H](O)[C@@](C)(CO)C1)c1nsc(N)n1 ZINC001146631478 1070520465 /nfs/dbraw/zinc/52/04/65/1070520465.db2.gz BMFMPLQSQUDRAD-OQAFJVDESA-N 0 0 457.553 0.553 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC[C@@H](O)[C@](C)(CO)C1)c1nsc(N)n1 ZINC001146631479 1070520442 /nfs/dbraw/zinc/52/04/42/1070520442.db2.gz BMFMPLQSQUDRAD-XRILHGBBSA-N 0 0 457.553 0.553 20 30 JCEDRN COC(=O)[C@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CCN1C ZINC001146631507 1070520428 /nfs/dbraw/zinc/52/04/28/1070520428.db2.gz CNGHYQSBKMGCSA-FUTSBXMXSA-N 0 0 470.552 0.277 20 30 JCEDRN COC(=O)[C@@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CCN1C ZINC001146631508 1070520354 /nfs/dbraw/zinc/52/03/54/1070520354.db2.gz CNGHYQSBKMGCSA-HMPFENIPSA-N 0 0 470.552 0.277 20 30 JCEDRN COC(=O)CN1CCN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CC1 ZINC001146631540 1070520486 /nfs/dbraw/zinc/52/04/86/1070520486.db2.gz FHDWNXJOZFSXPL-LPYMAVHISA-N 0 0 470.552 0.279 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC(=O)N(C2CC2)C(=O)C1)c1nsc(N)n1 ZINC001146631554 1070520336 /nfs/dbraw/zinc/52/03/36/1070520336.db2.gz FKUKABBILJPPPM-LPYMAVHISA-N 0 0 466.520 0.321 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N(C[C@@H](O)CO)C(C)(C)C)c1nsc(N)n1 ZINC001146631844 1070520625 /nfs/dbraw/zinc/52/06/25/1070520625.db2.gz JCXCFPNPKDMZBI-FUTSBXMXSA-N 0 0 459.569 0.942 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1nsc(N)n1 ZINC001146631923 1070520956 /nfs/dbraw/zinc/52/09/56/1070520956.db2.gz KBLPUVHPWFUEHN-CBOPYVSYSA-N 0 0 496.590 0.811 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1nsc(N)n1 ZINC001146631924 1070521143 /nfs/dbraw/zinc/52/11/43/1070521143.db2.gz KBLPUVHPWFUEHN-NYATXJBFSA-N 0 0 496.590 0.811 20 30 JCEDRN CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1)C1CCS(=O)(=O)CC1 ZINC001146631951 1070520988 /nfs/dbraw/zinc/52/09/88/1070520988.db2.gz JWCQTKSNXSRYQA-CIAFOILYSA-N 0 0 475.593 0.997 20 30 JCEDRN CCc1c(NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)c(C(N)=O)nn1C ZINC001146631958 1070521082 /nfs/dbraw/zinc/52/10/82/1070521082.db2.gz KAVJOUSSKDEOQS-BRJLIKDPSA-N 0 0 480.551 0.995 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)Nc1nccnc1C(N)=O)c1nsc(N)n1 ZINC001146631997 1070521099 /nfs/dbraw/zinc/52/10/99/1070521099.db2.gz MDSLFIIUPARAPR-PGGKNCGUSA-N 0 0 450.481 0.489 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCN2C(=O)OC[C@H]2C1)c1nsc(N)n1 ZINC001146631999 1070521117 /nfs/dbraw/zinc/52/11/17/1070521117.db2.gz MESNCJYKVHPNNR-GJHHCYNMSA-N 0 0 454.509 0.624 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCN2C(=O)CC[C@@H]2C1)c1nsc(N)n1 ZINC001146632010 1070521132 /nfs/dbraw/zinc/52/11/32/1070521132.db2.gz MTJITBHOMAFJSZ-IYSSMNFBSA-N 0 0 452.537 0.795 20 30 JCEDRN C[NH+](C)C[C@H]1COCCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146632013 1070521019 /nfs/dbraw/zinc/52/10/19/1070521019.db2.gz NAEAFCUGYSWBPJ-GLXUHCQUSA-N 0 0 456.569 0.750 20 30 JCEDRN C[NH+](C)C[C@@H]1COCCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146632014 1070521183 /nfs/dbraw/zinc/52/11/83/1070521183.db2.gz NAEAFCUGYSWBPJ-IHYLXSPPSA-N 0 0 456.569 0.750 20 30 JCEDRN CN1C[C@@H]2CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c3nsc(N)n3)C[C@@H]2C1=O ZINC001146632136 1070521072 /nfs/dbraw/zinc/52/10/72/1070521072.db2.gz OJQPQOKMTUVBPZ-BOIWGRCXSA-N 0 0 452.537 0.508 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)Nc1cncc(S(N)(=O)=O)c1)c1nsc(N)n1 ZINC001146632148 1070521002 /nfs/dbraw/zinc/52/10/02/1070521002.db2.gz OJYFLXNWULQFIG-FOKLQQMPSA-N 0 0 485.548 0.642 20 30 JCEDRN COC(=O)[C@@]12COC[C@@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1)C2 ZINC001146632247 1070521162 /nfs/dbraw/zinc/52/11/62/1070521162.db2.gz PPDYOYNVSKQJAQ-SHJXPKCBSA-N 0 0 483.547 0.609 20 30 JCEDRN CCOC(=O)[C@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CCO1 ZINC001146632348 1070521047 /nfs/dbraw/zinc/52/10/47/1070521047.db2.gz QORCJWUPUVBRIT-FUTSBXMXSA-N 0 0 471.536 0.752 20 30 JCEDRN CCOC(=O)[C@@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CCO1 ZINC001146632350 1070521170 /nfs/dbraw/zinc/52/11/70/1070521170.db2.gz QORCJWUPUVBRIT-HMPFENIPSA-N 0 0 471.536 0.752 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCN(S(C)(=O)=O)CC1)c1nsc(N)n1 ZINC001146632370 1070521059 /nfs/dbraw/zinc/52/10/59/1070521059.db2.gz QUMAVJRJAMDNHR-RGVLZGJSSA-N 0 0 476.581 0.065 20 30 JCEDRN CC(C)NC(=O)CN1CCN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CC1 ZINC001146632382 1070520972 /nfs/dbraw/zinc/52/09/72/1070520972.db2.gz QYHILLVGDGEELN-MFKUBSTISA-N 0 0 497.622 0.630 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCN2C(=O)COC[C@@H]2C1)c1nsc(N)n1 ZINC001146632451 1070520940 /nfs/dbraw/zinc/52/09/40/1070520940.db2.gz SBWNGDNGNTUPRP-ILZPLPEPSA-N 0 0 468.536 0.031 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCN2C(=O)COC[C@H]2C1)c1nsc(N)n1 ZINC001146632452 1070521154 /nfs/dbraw/zinc/52/11/54/1070521154.db2.gz SBWNGDNGNTUPRP-IYSSMNFBSA-N 0 0 468.536 0.031 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCC2(CC1)COCC(=O)N2)c1nsc(N)n1 ZINC001146632460 1070521644 /nfs/dbraw/zinc/52/16/44/1070521644.db2.gz SLHGVVHQUMLMAF-ZMOGYAJESA-N 0 0 482.563 0.469 20 30 JCEDRN COC(=O)c1cn2c(n1)CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1)CC2 ZINC001146632470 1070521541 /nfs/dbraw/zinc/52/15/41/1070521541.db2.gz SUJHGYLPBNQUQE-ZMOGYAJESA-N 0 0 493.546 0.987 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCC2(CC1)CNC(=O)CO2)c1nsc(N)n1 ZINC001146632480 1070521625 /nfs/dbraw/zinc/52/16/25/1070521625.db2.gz TWOYOJPRSYPAQZ-ZMOGYAJESA-N 0 0 482.563 0.469 20 30 JCEDRN COC(=O)Cn1cc(NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)cn1 ZINC001146632500 1070521458 /nfs/dbraw/zinc/52/14/58/1070521458.db2.gz UXQBBHUTYVZOJN-FSJBWODESA-N 0 0 467.508 0.970 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCN(C2CCOCC2)C(=O)C1)c1nsc(N)n1 ZINC001146632505 1070521673 /nfs/dbraw/zinc/52/16/73/1070521673.db2.gz VBHWKBZSMGGLMI-BUVRLJJBSA-N 0 0 496.590 0.811 20 30 JCEDRN CNC(=O)C1CCN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CC1 ZINC001146632595 1070521104 /nfs/dbraw/zinc/52/11/04/1070521104.db2.gz PEAFOLWPCCCSCJ-FSJBWODESA-N 0 0 454.553 0.946 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCCC(=O)N1CCOCC1)c1nsc(N)n1 ZINC001146632610 1070521660 /nfs/dbraw/zinc/52/16/60/1070521660.db2.gz PMEUEZCJLCCROH-YDZHTSKRSA-N 0 0 470.552 0.326 20 30 JCEDRN COC(=O)N1CCN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CC1 ZINC001146632615 1070521711 /nfs/dbraw/zinc/52/17/11/1070521711.db2.gz POWOKDQGBVYJAH-SRZZPIQSSA-N 0 0 456.525 0.872 20 30 JCEDRN COCCN1CCN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CC1 ZINC001146632730 1070521411 /nfs/dbraw/zinc/52/14/11/1070521411.db2.gz VZDSFHABIRPVDN-LPYMAVHISA-N 0 0 456.569 0.752 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC[C@](C)(CO)[C@H](O)C1)c1nsc(N)n1 ZINC001146632770 1070521525 /nfs/dbraw/zinc/52/15/25/1070521525.db2.gz WWQHMYJZISSYJS-JSSKYRGOSA-N 0 0 457.553 0.553 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1)c1nsc(N)n1 ZINC001146632771 1070521610 /nfs/dbraw/zinc/52/16/10/1070521610.db2.gz WWQHMYJZISSYJS-OAIGEGKISA-N 0 0 457.553 0.553 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC[C@](C)(CO)[C@@H](O)C1)c1nsc(N)n1 ZINC001146632772 1070521774 /nfs/dbraw/zinc/52/17/74/1070521774.db2.gz WWQHMYJZISSYJS-OQAFJVDESA-N 0 0 457.553 0.553 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CC[C@@](C)(CO)[C@H](O)C1)c1nsc(N)n1 ZINC001146632773 1070521784 /nfs/dbraw/zinc/52/17/84/1070521784.db2.gz WWQHMYJZISSYJS-XRILHGBBSA-N 0 0 457.553 0.553 20 30 JCEDRN COC(=O)C[C@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CCO1 ZINC001146632803 1070521721 /nfs/dbraw/zinc/52/17/21/1070521721.db2.gz XQFRSVUCUSWYBR-ILZPLPEPSA-N 0 0 471.536 0.752 20 30 JCEDRN COC(=O)C[C@@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CCO1 ZINC001146632805 1070521593 /nfs/dbraw/zinc/52/15/93/1070521593.db2.gz XQFRSVUCUSWYBR-IYSSMNFBSA-N 0 0 471.536 0.752 20 30 JCEDRN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146632874 1070521736 /nfs/dbraw/zinc/52/17/36/1070521736.db2.gz ZUXSALGMAYUKPK-AWQSTVIQSA-N 0 0 498.562 0.242 20 30 JCEDRN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146632876 1070521507 /nfs/dbraw/zinc/52/15/07/1070521507.db2.gz ZUXSALGMAYUKPK-JTWFITEKSA-N 0 0 498.562 0.242 20 30 JCEDRN Cc1noc(NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)c1C(N)=O ZINC001146633217 1070522077 /nfs/dbraw/zinc/52/20/77/1070522077.db2.gz ZQDFWFLGDVISII-NUGSKGIGSA-N 0 0 453.481 0.995 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1Cc2ccnn2CC[C@@H]1CO)c1nsc(N)n1 ZINC001146633263 1070522385 /nfs/dbraw/zinc/52/23/85/1070522385.db2.gz BUOPLGCVSXKAAX-CBOPYVSYSA-N 0 0 479.563 0.951 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1Cc2ccnn2CC[C@H]1CO)c1nsc(N)n1 ZINC001146633264 1070522340 /nfs/dbraw/zinc/52/23/40/1070522340.db2.gz BUOPLGCVSXKAAX-NYATXJBFSA-N 0 0 479.563 0.951 20 30 JCEDRN CCOC(=O)[C@H]1COCCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146633518 1070522107 /nfs/dbraw/zinc/52/21/07/1070522107.db2.gz FGXLBSNKKNCQGW-FUTSBXMXSA-N 0 0 471.536 0.752 20 30 JCEDRN CCOC(=O)[C@@H]1COCCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146633520 1070522417 /nfs/dbraw/zinc/52/24/17/1070522417.db2.gz FGXLBSNKKNCQGW-HMPFENIPSA-N 0 0 471.536 0.752 20 30 JCEDRN Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146633533 1070522181 /nfs/dbraw/zinc/52/21/81/1070522181.db2.gz FNLJIVJSZBSGEA-HCGXMYGOSA-N 0 0 482.479 0.797 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCCNC(=O)c1ccncc1)c1nsc(N)n1 ZINC001146633632 1070522205 /nfs/dbraw/zinc/52/22/05/1070522205.db2.gz JHZUVSKDMOCBJD-LGJNPRDNSA-N 0 0 477.547 0.903 20 30 JCEDRN COC(=O)[C@@]1(C)COCCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146633675 1070522375 /nfs/dbraw/zinc/52/23/75/1070522375.db2.gz LAJYXEMPDPHELF-AZHVYHFMSA-N 0 0 471.536 0.752 20 30 JCEDRN COC(=O)[C@]1(C)COCCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146633676 1070522265 /nfs/dbraw/zinc/52/22/65/1070522265.db2.gz LAJYXEMPDPHELF-QKXOWGBTSA-N 0 0 471.536 0.752 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCCCc1c[nH][nH]c1=O)c1nsc(N)n1 ZINC001146633688 1070522234 /nfs/dbraw/zinc/52/22/34/1070522234.db2.gz LIWBQDCKQXXOPZ-VRSUPBRKSA-N 0 0 453.525 0.590 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCCCc1c[nH][nH]c1=O)c1nsc(N)n1 ZINC001146633689 1070522321 /nfs/dbraw/zinc/52/23/21/1070522321.db2.gz LIWBQDCKQXXOPZ-YABJHRIGSA-N 0 0 453.525 0.590 20 30 JCEDRN COC(=O)[C@H]1CN(C)CCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146633692 1070522350 /nfs/dbraw/zinc/52/23/50/1070522350.db2.gz LLKOPBDRYUMYDX-FUTSBXMXSA-N 0 0 470.552 0.277 20 30 JCEDRN COC(=O)[C@@H]1CN(C)CCN1C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146633693 1070522139 /nfs/dbraw/zinc/52/21/39/1070522139.db2.gz LLKOPBDRYUMYDX-HMPFENIPSA-N 0 0 470.552 0.277 20 30 JCEDRN COC(=O)[C@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CCN1C(C)=O ZINC001146633934 1070522219 /nfs/dbraw/zinc/52/22/19/1070522219.db2.gz NOEOABWAZGVCNM-CELQXHKJSA-N 0 0 498.562 0.194 20 30 JCEDRN COC(=O)[C@@H]1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CCN1C(C)=O ZINC001146633936 1070522123 /nfs/dbraw/zinc/52/21/23/1070522123.db2.gz NOEOABWAZGVCNM-SJXGOUHISA-N 0 0 498.562 0.194 20 30 JCEDRN CNC(=O)NC1CCN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)CC1 ZINC001146633977 1070522953 /nfs/dbraw/zinc/52/29/53/1070522953.db2.gz OQZWPKYRYSSMSR-WYMPLXKRSA-N 0 0 469.568 0.881 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCC2(CNC(=O)N2)CC1)c1nsc(N)n1 ZINC001146633981 1070522974 /nfs/dbraw/zinc/52/29/74/1070522974.db2.gz OYSWEDNCYDQQSC-BHGWPJFGSA-N 0 0 467.552 0.635 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N[C@H]1COCCC12OCCO2)c1nsc(N)n1 ZINC001146633983 1070522884 /nfs/dbraw/zinc/52/28/84/1070522884.db2.gz PGWLWHAQNPCKGD-FNMOKXMESA-N 0 0 471.536 0.610 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N[C@@H]1COCCC12OCCO2)c1nsc(N)n1 ZINC001146633984 1070522783 /nfs/dbraw/zinc/52/27/83/1070522783.db2.gz PGWLWHAQNPCKGD-QWKGEVNMSA-N 0 0 471.536 0.610 20 30 JCEDRN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)C1 ZINC001146634055 1070522896 /nfs/dbraw/zinc/52/28/96/1070522896.db2.gz SLPCBPAZIFAPRR-KNNRVODUSA-N 0 0 452.537 0.698 20 30 JCEDRN CC(=O)N1C[C@H]2C[C@@]2(NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)C1 ZINC001146634056 1070522767 /nfs/dbraw/zinc/52/27/67/1070522767.db2.gz SLPCBPAZIFAPRR-LVXWZASUSA-N 0 0 452.537 0.698 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NC1CC2(C1)CS(=O)(=O)C2)c1nsc(N)n1 ZINC001146634351 1070522714 /nfs/dbraw/zinc/52/27/14/1070522714.db2.gz XUPFWJGSVISOFH-SSDVNMTOSA-N 0 0 473.577 0.655 20 30 JCEDRN C[N@H+](C1CN(C(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)C1)[C@H]1CCOC1 ZINC001146634373 1070522631 /nfs/dbraw/zinc/52/26/31/1070522631.db2.gz YTOAZJJKDBFUED-VGYZFNDPSA-N 0 0 468.580 0.893 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1C[C@@H]2COC[C@H](C1)C2=O)c1nsc(N)n1 ZINC001146634375 1070522960 /nfs/dbraw/zinc/52/29/60/1070522960.db2.gz YVUVYSGRLBPXKW-JGENZEDPSA-N 0 0 453.521 0.635 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)c1nsc(N)n1 ZINC001146634389 1070522696 /nfs/dbraw/zinc/52/26/96/1070522696.db2.gz ZMDBSSJZTHQZSG-JICIUGBHSA-N 0 0 461.566 0.653 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)Nc1cc(S(N)(=O)=O)ccc1N)c1nsc(N)n1 ZINC001146634390 1070522803 /nfs/dbraw/zinc/52/28/03/1070522803.db2.gz ZMRSFXCICVDBCI-WYMPLXKRSA-N 0 0 499.575 0.830 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21)c1nsc(N)n1 ZINC001146641949 1070522931 /nfs/dbraw/zinc/52/29/31/1070522931.db2.gz AOHOVRBOLAHUNV-JRXWSOMVSA-N 0 0 479.479 0.629 20 30 JCEDRN CCOC(=O)CC1(NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)COC1 ZINC001146641989 1070522819 /nfs/dbraw/zinc/52/28/19/1070522819.db2.gz CDFYKHQWFSGSIV-FSJBWODESA-N 0 0 471.536 0.800 20 30 JCEDRN Cn1ccc(CNC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)cc1=O ZINC001146642253 1070522907 /nfs/dbraw/zinc/52/29/07/1070522907.db2.gz GAIFYFYKCPHTOK-YDZHTSKRSA-N 0 0 450.521 0.976 20 30 JCEDRN CC(C)[C@H](NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1)C(=O)N1CCOCC1 ZINC001146642267 1070522745 /nfs/dbraw/zinc/52/27/45/1070522745.db2.gz GIMJOAROZOULBX-VPWNXDJNSA-N 0 0 498.606 0.961 20 30 JCEDRN CC(C)C[C@H](NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1)C(=O)NO ZINC001146642270 1070523401 /nfs/dbraw/zinc/52/34/01/1070523401.db2.gz GKWSUYCGMIIOTB-KILFYSHISA-N 0 0 458.541 0.998 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCCN1CC2(COC2)C1)c1nsc(N)n1 ZINC001146642284 1070523308 /nfs/dbraw/zinc/52/33/08/1070523308.db2.gz GPUVHBMGPWJYND-FSJBWODESA-N 0 0 454.553 0.410 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N=C(N)c1ccc(C(N)=O)cc1)c1nsc(N)n1 ZINC001146642435 1070523234 /nfs/dbraw/zinc/52/32/34/1070523234.db2.gz IYHGWVLMQBURDR-RPPGKUMJSA-N 0 0 475.531 0.992 20 30 JCEDRN CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146642438 1070523458 /nfs/dbraw/zinc/52/34/58/1070523458.db2.gz JADUUXPUWKHPFM-BYRXYEDESA-N 0 0 495.562 0.975 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCCOCCN1C(=O)C=CC1=O)c1nsc(N)n1 ZINC001146642444 1070523415 /nfs/dbraw/zinc/52/34/15/1070523415.db2.gz JDNQQUQJPRPFRW-ZVHZXABRSA-N 0 0 496.546 0.019 20 30 JCEDRN COC(=O)[C@H](Cc1cncn1C)NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146642797 1070523431 /nfs/dbraw/zinc/52/34/31/1070523431.db2.gz LXRPMPXVSOZJTA-AHWMFNNISA-N 0 0 495.562 0.595 20 30 JCEDRN COC(=O)[C@@H](Cc1cncn1C)NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146642798 1070523355 /nfs/dbraw/zinc/52/33/55/1070523355.db2.gz LXRPMPXVSOZJTA-NQYNXFSVSA-N 0 0 495.562 0.595 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)Nc1[nH]c(=O)nc2nc[nH]c21)c1nsc(N)n1 ZINC001146642864 1070523527 /nfs/dbraw/zinc/52/35/27/1070523527.db2.gz NYGGLFVZZBWKET-ZNLRHDTNSA-N 0 0 463.480 0.972 20 30 JCEDRN Cn1c(=O)cc(NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)[nH]c1=O ZINC001146642872 1070523269 /nfs/dbraw/zinc/52/32/69/1070523269.db2.gz OIPYMIRYHXIVQX-LSHDLFTRSA-N 0 0 453.481 0.399 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCCN1CCCS1(=O)=O)c1nsc(N)n1 ZINC001146642918 1070523290 /nfs/dbraw/zinc/52/32/90/1070523290.db2.gz QBKKRFOQUFMGNN-SRZZPIQSSA-N 0 0 476.581 0.113 20 30 JCEDRN Cc1cc(NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)n(N)c(=O)c1 ZINC001146642939 1070523550 /nfs/dbraw/zinc/52/35/50/1070523550.db2.gz QWCPXLLMGURIJE-FSJBWODESA-N 0 0 451.509 0.784 20 30 JCEDRN C[C@@H]1COCCN1CCNC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146643358 1070523338 /nfs/dbraw/zinc/52/33/38/1070523338.db2.gz RSSRIJHAOAFENK-CELQXHKJSA-N 0 0 456.569 0.798 20 30 JCEDRN C[C@H]1COCCN1CCNC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146643362 1070523515 /nfs/dbraw/zinc/52/35/15/1070523515.db2.gz RSSRIJHAOAFENK-SJXGOUHISA-N 0 0 456.569 0.798 20 30 JCEDRN COC(=O)c1ncc(=O)[nH]c1NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146643372 1070523871 /nfs/dbraw/zinc/52/38/71/1070523871.db2.gz RXRGNOHQDAUONK-PGGKNCGUSA-N 0 0 481.491 0.882 20 30 JCEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCC1(N2CCCC2)COC1)c1nsc(N)n1 ZINC001146643425 1070524010 /nfs/dbraw/zinc/52/40/10/1070524010.db2.gz VDPWJKOTAQKUMI-ZMOGYAJESA-N 0 0 468.580 0.942 20 30 JCEDRN CC(C)(C)OC(=O)[C@H](CO)NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1 ZINC001146643426 1070524079 /nfs/dbraw/zinc/52/40/79/1070524079.db2.gz VIJPJNKTNXVXIN-KILFYSHISA-N 0 0 473.552 0.780 20 30 JCEDRN CSCC[C@H](NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1)C(N)=O ZINC001146643612 1070524125 /nfs/dbraw/zinc/52/41/25/1070524125.db2.gz XJAMUFLIOPHXPU-HYRFOYPHSA-N 0 0 460.582 0.685 20 30 JCEDRN CC(=O)OCC1=C(C(=O)NCCCS)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146686446 1070525601 /nfs/dbraw/zinc/52/56/01/1070525601.db2.gz FKBOWUKZOMVQLR-DNVCBOLYSA-N 0 0 469.610 0.944 20 30 JCEDRN CC(=O)OCC1=C(C(=O)N2CCOC[C@@H]2C#N)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146686866 1070525732 /nfs/dbraw/zinc/52/57/32/1070525732.db2.gz GBKDANINBQXHCB-AVBTWRTFSA-N 0 0 490.563 0.259 20 30 JCEDRN CC(=O)OCC1=C(C(=O)N2CCOC[C@H]2C#N)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146686869 1070525639 /nfs/dbraw/zinc/52/56/39/1070525639.db2.gz GBKDANINBQXHCB-SOIKWTOOSA-N 0 0 490.563 0.259 20 30 JCEDRN CC(=O)OCC1=C(C(=O)Nc2nnccc2C#N)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146686880 1070525678 /nfs/dbraw/zinc/52/56/78/1070525678.db2.gz GUKXLDWCRWGAFK-IIBYNOLFSA-N 0 0 498.546 0.808 20 30 JCEDRN C#Cc1cc(NC(=O)C2=C(COC(C)=O)CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N23)ccn1 ZINC001146686968 1070526087 /nfs/dbraw/zinc/52/60/87/1070526087.db2.gz JHQZKDNKWQCLMT-AUSIDOKSSA-N 0 0 496.570 0.945 20 30 JCEDRN CC(=O)OCC1=C(C(=O)N(C)[C@@H](C)C#N)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146686970 1070526227 /nfs/dbraw/zinc/52/62/27/1070526227.db2.gz JLZKGJZWKKPWMF-MCGXXNDWSA-N 0 0 462.553 0.878 20 30 JCEDRN CC(=O)OCC1=C(C(=O)N(C)[C@H](C)C#N)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146686971 1070526045 /nfs/dbraw/zinc/52/60/45/1070526045.db2.gz JLZKGJZWKKPWMF-VATIQMLTSA-N 0 0 462.553 0.878 20 30 JCEDRN CC(=O)OCC1=C(C(=O)Nc2c[nH]nc2C#N)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146687311 1070526559 /nfs/dbraw/zinc/52/65/59/1070526559.db2.gz LPBIJJDJCPANRX-OXQOHEQNSA-N 0 0 486.535 0.741 20 30 JCEDRN CC(=O)OCC1=C(C(=O)Nc2[nH]cnc2C#N)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146687354 1070526533 /nfs/dbraw/zinc/52/65/33/1070526533.db2.gz OHOMJHFXVDCWPX-FOIQADDNSA-N 0 0 486.535 0.741 20 30 JCEDRN CC(=O)OCC1=C(C(=O)N2CCO[C@@H](C#N)C2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146687486 1070527362 /nfs/dbraw/zinc/52/73/62/1070527362.db2.gz QTDKMACMGMXPDA-AVBTWRTFSA-N 0 0 490.563 0.259 20 30 JCEDRN CC(=O)OCC1=C(C(=O)N2CCO[C@H](C#N)C2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146687487 1070527100 /nfs/dbraw/zinc/52/71/00/1070527100.db2.gz QTDKMACMGMXPDA-SOIKWTOOSA-N 0 0 490.563 0.259 20 30 JCEDRN CC(=O)OCC1=C(C(=O)N2C[C@@H](F)C[C@H]2C#N)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146687713 1070527032 /nfs/dbraw/zinc/52/70/32/1070527032.db2.gz RKWILLXFRGDVLY-NLOUDPMVSA-N 0 0 492.554 0.970 20 30 JCEDRN C=C[C@@H](CO)NC(=O)C1=C(COC(C)=O)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12 ZINC001146687870 1070527833 /nfs/dbraw/zinc/52/78/33/1070527833.db2.gz VRWNIAQDCVDGDP-GQWAEJPESA-N 0 0 465.553 0.171 20 30 JCEDRN CC(=O)OCC1=C(C(=O)N2CC(C)(C#N)C2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146687951 1070527803 /nfs/dbraw/zinc/52/78/03/1070527803.db2.gz ZXNZZURWPKCYEO-OXQOHEQNSA-N 0 0 474.564 0.880 20 30 JCEDRN CC(=O)OCC1=C(C(=O)Nc2cnc(C#N)cn2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146688065 1070527657 /nfs/dbraw/zinc/52/76/57/1070527657.db2.gz GOESTIHKGUZWQZ-DYESRHJHSA-N 0 0 498.546 0.808 20 30 JCEDRN C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NC[C@@H](O)CO ZINC001146688912 1070527884 /nfs/dbraw/zinc/52/78/84/1070527884.db2.gz PPTVTLYTINUDCK-CIRMKRAYSA-N 0 0 469.525 0.752 20 30 JCEDRN C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)N[C@@H](C#N)C(N)=O ZINC001146689585 1070528306 /nfs/dbraw/zinc/52/83/06/1070528306.db2.gz WDDCDRRNPBQUJQ-CMQGLAFKSA-N 0 0 477.508 0.776 20 30 JCEDRN C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)N[C@H](C#N)C(N)=O ZINC001146689586 1070528397 /nfs/dbraw/zinc/52/83/97/1070528397.db2.gz WDDCDRRNPBQUJQ-FTRJGJABSA-N 0 0 477.508 0.776 20 30 JCEDRN C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)N[C@@H](CO)C(N)=O ZINC001146689593 1070528237 /nfs/dbraw/zinc/52/82/37/1070528237.db2.gz WRNMQKAEJWIDGP-CMQGLAFKSA-N 0 0 482.524 0.245 20 30 JCEDRN C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)N[C@H](CO)C(N)=O ZINC001146689594 1070528327 /nfs/dbraw/zinc/52/83/27/1070528327.db2.gz WRNMQKAEJWIDGP-FTRJGJABSA-N 0 0 482.524 0.245 20 30 JCEDRN C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NCC(N)=O ZINC001146689623 1070528247 /nfs/dbraw/zinc/52/82/47/1070528247.db2.gz YJAPKUFYARKSHK-YBTJFROISA-N 0 0 452.498 0.884 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)s1 ZINC001146709025 1070528346 /nfs/dbraw/zinc/52/83/46/1070528346.db2.gz IQWYPDLYBYBFGT-UHFFFAOYSA-N 0 0 453.546 0.449 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)CC1=CCCCC1)C(=O)OCC ZINC001146749313 1070528816 /nfs/dbraw/zinc/52/88/16/1070528816.db2.gz AHCSVBWVIMLMEI-IRXDYDNUSA-N 0 0 485.603 0.799 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3csnn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001146827543 1070529396 /nfs/dbraw/zinc/52/93/96/1070529396.db2.gz GVSKRXIRIYVRPU-MRXNPFEDSA-N 0 0 469.502 0.856 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3cc[nH]n3)cn2n1 ZINC001146834988 1070530073 /nfs/dbraw/zinc/53/00/73/1070530073.db2.gz IXLHILFOGBPGHY-KRWDZBQOSA-N 0 0 477.529 0.926 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccn[nH]3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001146842887 1070529901 /nfs/dbraw/zinc/52/99/01/1070529901.db2.gz SXJPMFZGRGDPDI-QGZVFWFLSA-N 0 0 451.462 0.728 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1cc(C2CC2)on1)C(=O)OCC ZINC001146929052 1070530337 /nfs/dbraw/zinc/53/03/37/1070530337.db2.gz PUSXLSUTJIEGAS-ZFWWWQNUSA-N 0 0 498.558 0.088 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001146989761 1070532496 /nfs/dbraw/zinc/53/24/96/1070532496.db2.gz MZTXDMIZBJOGIZ-QGZVFWFLSA-N 0 0 479.472 0.500 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3ncnn3C)cn2n1 ZINC001146996788 1070532522 /nfs/dbraw/zinc/53/25/22/1070532522.db2.gz WZKZKNPKEOQMQR-KRWDZBQOSA-N 0 0 492.544 0.332 20 30 JCEDRN Cn1ncnc1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001147002232 1070532909 /nfs/dbraw/zinc/53/29/09/1070532909.db2.gz VZVGQBRTOUFMKX-QGZVFWFLSA-N 0 0 466.477 0.133 20 30 JCEDRN COc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001147029369 1070533515 /nfs/dbraw/zinc/53/35/15/1070533515.db2.gz XWHDWTQYAAESMQ-GOSISDBHSA-N 0 0 495.515 0.747 20 30 JCEDRN COc1cnc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)nc1 ZINC001147040496 1070532988 /nfs/dbraw/zinc/53/29/88/1070532988.db2.gz CDSRHNDFQNVZFQ-GOSISDBHSA-N 0 0 493.499 0.803 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1sccc1C)C(=O)OCC ZINC001147117944 1070534191 /nfs/dbraw/zinc/53/41/91/1070534191.db2.gz BBJUKGXFWXHRSD-KBPBESRZSA-N 0 0 487.600 0.592 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3ccnnc3)cn2n1 ZINC001147199581 1070535235 /nfs/dbraw/zinc/53/52/35/1070535235.db2.gz ALZSLMXRQCSXBF-IBGZPJMESA-N 0 0 489.540 0.993 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccnnc3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001147206055 1070535296 /nfs/dbraw/zinc/53/52/96/1070535296.db2.gz GUVIFZYZRCOHTA-LJQANCHMSA-N 0 0 463.473 0.795 20 30 JCEDRN CS(=O)(=O)[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(F)(F)F ZINC001147241805 1070536318 /nfs/dbraw/zinc/53/63/18/1070536318.db2.gz CJZXEAJYPATSAB-TZMCWYRMSA-N 0 0 467.491 0.939 20 30 JCEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC001147242032 1070536822 /nfs/dbraw/zinc/53/68/22/1070536822.db2.gz IHXZFAJPFGBWEH-LERXQTSPSA-N 0 0 453.464 0.659 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC001147242033 1070536964 /nfs/dbraw/zinc/53/69/64/1070536964.db2.gz IHXZFAJPFGBWEH-ZLKJLUDKSA-N 0 0 453.464 0.659 20 30 JCEDRN Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N ZINC001147242351 1070536747 /nfs/dbraw/zinc/53/67/47/1070536747.db2.gz MJIIVVZXFGUBJP-TZMCWYRMSA-N 0 0 453.464 0.844 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3c[nH]cn3)cn2n1 ZINC001147253706 1070535593 /nfs/dbraw/zinc/53/55/93/1070535593.db2.gz KOARNJAKZVUZAJ-KRWDZBQOSA-N 0 0 477.529 0.926 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cnc[nH]3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001147260968 1070536951 /nfs/dbraw/zinc/53/69/51/1070536951.db2.gz JJWQFEOHFTZBFH-QGZVFWFLSA-N 0 0 451.462 0.728 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3cnn(C)c3)cn2n1 ZINC001147282678 1070537232 /nfs/dbraw/zinc/53/72/32/1070537232.db2.gz YRCVFEDYHJYYSF-IBGZPJMESA-N 0 0 491.556 0.937 20 30 JCEDRN N#CCN1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001147283164 1070537381 /nfs/dbraw/zinc/53/73/81/1070537381.db2.gz CRDIUJSIUJBOTK-UHFFFAOYSA-N 0 0 457.350 0.751 20 30 JCEDRN Cn1cc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)cn1 ZINC001147287243 1070537617 /nfs/dbraw/zinc/53/76/17/1070537617.db2.gz NSCPYVWJUHYGMD-LJQANCHMSA-N 0 0 465.489 0.738 20 30 JCEDRN C#CCN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 ZINC001147291453 1070537567 /nfs/dbraw/zinc/53/75/67/1070537567.db2.gz WMWZOOHEMDFXET-UHFFFAOYSA-N 0 0 450.536 0.460 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3ccnn3C)cn2n1 ZINC001147333036 1070537971 /nfs/dbraw/zinc/53/79/71/1070537971.db2.gz OUXDHJTUZVZYAD-SFHVURJKSA-N 0 0 491.556 0.937 20 30 JCEDRN Cn1nccc1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001147337706 1070538085 /nfs/dbraw/zinc/53/80/85/1070538085.db2.gz AUDRVOLDGLTMRB-GOSISDBHSA-N 0 0 465.489 0.738 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3ccn(C)n3)cn2n1 ZINC001147350335 1070539619 /nfs/dbraw/zinc/53/96/19/1070539619.db2.gz BZELYLOYHZJQEN-SFHVURJKSA-N 0 0 491.556 0.937 20 30 JCEDRN Cn1ccc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)n1 ZINC001147357915 1070538530 /nfs/dbraw/zinc/53/85/30/1070538530.db2.gz FJQBZHOSDPZNQF-GOSISDBHSA-N 0 0 465.489 0.738 20 30 JCEDRN C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1S(C)(=O)=O ZINC001147365522 1070539289 /nfs/dbraw/zinc/53/92/89/1070539289.db2.gz VSVKNMIYTKMBGY-OAHLLOKOSA-N 0 0 456.590 0.778 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3ncccn3)cn2n1 ZINC001147414628 1070540386 /nfs/dbraw/zinc/54/03/86/1070540386.db2.gz PCBCQRADTYUDQO-SFHVURJKSA-N 0 0 489.540 0.993 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ncccn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001147419723 1070540223 /nfs/dbraw/zinc/54/02/23/1070540223.db2.gz ZIAVZCCLISFZJS-GOSISDBHSA-N 0 0 463.473 0.795 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3cncnc3)cn2n1 ZINC001147431693 1070539722 /nfs/dbraw/zinc/53/97/22/1070539722.db2.gz ODVCLHCRWJQYJX-IBGZPJMESA-N 0 0 489.540 0.993 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cncnc3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001147440319 1070540846 /nfs/dbraw/zinc/54/08/46/1070540846.db2.gz RHYLVKUUINQSDL-LJQANCHMSA-N 0 0 463.473 0.795 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)c2cc3n(n2)CCNC3=O)c1N1CCCC1 ZINC001147540013 1070542229 /nfs/dbraw/zinc/54/22/29/1070542229.db2.gz QSWPVLFFBNMFKT-UHFFFAOYSA-N 0 0 486.540 0.798 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1cc2n(n1)CCNC2=O ZINC001147545347 1070541993 /nfs/dbraw/zinc/54/19/93/1070541993.db2.gz LXEOSARXZWDLQJ-HOTGVXAUSA-N 0 0 487.536 0.322 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3n[nH]nc3C)cn2n1 ZINC001147569833 1070543189 /nfs/dbraw/zinc/54/31/89/1070543189.db2.gz BCXQDEQDPZSODU-KRWDZBQOSA-N 0 0 492.544 0.630 20 30 JCEDRN Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001147577449 1070543246 /nfs/dbraw/zinc/54/32/46/1070543246.db2.gz DWUQYVOQQBGHSU-QGZVFWFLSA-N 0 0 466.477 0.431 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccc(=O)oc3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001147595792 1070544028 /nfs/dbraw/zinc/54/40/28/1070544028.db2.gz RALPTOMWRFDDOD-LJQANCHMSA-N 0 0 479.468 0.958 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cc(=O)cco3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001147615161 1070545007 /nfs/dbraw/zinc/54/50/07/1070545007.db2.gz UHVVXFFOPJXDRP-GOSISDBHSA-N 0 0 479.468 0.958 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001147630219 1070544325 /nfs/dbraw/zinc/54/43/25/1070544325.db2.gz KQECFHKRYKYWQC-QGZVFWFLSA-N 0 0 479.472 0.088 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1cnoc1C1CC1)C(=O)OCC ZINC001147667916 1070545853 /nfs/dbraw/zinc/54/58/53/1070545853.db2.gz IQYAICQLSITXLS-GJZGRUSLSA-N 0 0 498.558 0.088 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)c2nccnc2C(N)=O)c1N1CCCC1 ZINC001147752387 1070548433 /nfs/dbraw/zinc/54/84/33/1070548433.db2.gz PPEXYHDCDGALPN-UHFFFAOYSA-N 0 0 472.513 0.747 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1nccnc1C(N)=O ZINC001147753919 1070548299 /nfs/dbraw/zinc/54/82/99/1070548299.db2.gz ONFSJRDDEQYQAC-GJZGRUSLSA-N 0 0 473.509 0.271 20 30 JCEDRN Cc1ncc(CO)c(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1O ZINC001147836665 1070551434 /nfs/dbraw/zinc/55/14/34/1070551434.db2.gz OLVJUQQNGOEVGW-HSZRJFAPSA-N 0 0 452.467 0.734 20 30 JCEDRN Cc1ncc(CO)c(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1O ZINC001147836666 1070551254 /nfs/dbraw/zinc/55/12/54/1070551254.db2.gz OLVJUQQNGOEVGW-QHCPKHFHSA-N 0 0 452.467 0.734 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)ccc1F ZINC001148015970 1070557765 /nfs/dbraw/zinc/55/77/65/1070557765.db2.gz XJUHGTWGCOTKDE-FQEVSTJZSA-N 0 0 455.508 0.380 20 30 JCEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)ccc1F ZINC001148015971 1070557811 /nfs/dbraw/zinc/55/78/11/1070557811.db2.gz XJUHGTWGCOTKDE-HXUWFJFHSA-N 0 0 455.508 0.380 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)s1 ZINC001148023461 1070558369 /nfs/dbraw/zinc/55/83/69/1070558369.db2.gz NRKRGZSTFJXXMT-IBGZPJMESA-N 0 0 457.574 0.231 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)s1 ZINC001148023462 1070558273 /nfs/dbraw/zinc/55/82/73/1070558273.db2.gz NRKRGZSTFJXXMT-LJQANCHMSA-N 0 0 457.574 0.231 20 30 JCEDRN C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N4CCNC[C@@H]4C#N)cn1c32 ZINC001148157658 1070565050 /nfs/dbraw/zinc/56/50/50/1070565050.db2.gz WZZQPNUXPBUQJA-CABCVRRESA-N 0 0 454.506 0.783 20 30 JCEDRN C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N4CCNC[C@@H]4C#N)cn1c32 ZINC001148157665 1070565033 /nfs/dbraw/zinc/56/50/33/1070565033.db2.gz WZZQPNUXPBUQJA-GJZGRUSLSA-N 0 0 454.506 0.783 20 30 JCEDRN C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N4CCNC[C@H]4C#N)cn1c32 ZINC001148157670 1070565177 /nfs/dbraw/zinc/56/51/77/1070565177.db2.gz WZZQPNUXPBUQJA-HUUCEWRRSA-N 0 0 454.506 0.783 20 30 JCEDRN C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N4CCNC[C@H]4C#N)cn1c32 ZINC001148157676 1070565314 /nfs/dbraw/zinc/56/53/14/1070565314.db2.gz WZZQPNUXPBUQJA-LSDHHAIUSA-N 0 0 454.506 0.783 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3ccncn3)cn2n1 ZINC001148173605 1070566859 /nfs/dbraw/zinc/56/68/59/1070566859.db2.gz YISUJHMIFJLBNP-SFHVURJKSA-N 0 0 489.540 0.993 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccncn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001148177233 1070566935 /nfs/dbraw/zinc/56/69/35/1070566935.db2.gz LMFPMDBQDDLJSB-GOSISDBHSA-N 0 0 463.473 0.795 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1ccc(C)cc1C)C(=O)OCC ZINC001148253336 1070567933 /nfs/dbraw/zinc/56/79/33/1070567933.db2.gz VQTZBMJTUUTRTC-ROUUACIJSA-N 0 0 495.598 0.839 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1ccccc1CC)C(=O)OCC ZINC001148417666 1070573632 /nfs/dbraw/zinc/57/36/32/1070573632.db2.gz RGKBEGNALRGXNV-ROUUACIJSA-N 0 0 495.598 0.785 20 30 JCEDRN C=CCOc1ccc(C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)cc1 ZINC001148467980 1070574007 /nfs/dbraw/zinc/57/40/07/1070574007.db2.gz IGHRXLUDOONLDR-RPLGYBLPSA-N 0 0 454.487 0.506 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 ZINC001148491222 1070574623 /nfs/dbraw/zinc/57/46/23/1070574623.db2.gz LEYRHOKLBNHYJP-UHFFFAOYSA-N 0 0 454.530 0.427 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1ccc(C)cc1O)C(=O)OCC ZINC001148507694 1070574641 /nfs/dbraw/zinc/57/46/41/1070574641.db2.gz TUGJNFCUPKNHMI-HOTGVXAUSA-N 0 0 497.570 0.236 20 30 JCEDRN C[C@H](C#N)c1cccc(C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)c1 ZINC001148623645 1070577404 /nfs/dbraw/zinc/57/74/04/1070577404.db2.gz YSFSLCSJZRKYJK-HPVRDNGYSA-N 0 0 451.487 0.569 20 30 JCEDRN C[C@@H](C#N)c1cccc(C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)c1 ZINC001148623657 1070577459 /nfs/dbraw/zinc/57/74/59/1070577459.db2.gz YSFSLCSJZRKYJK-WYNYLTBHSA-N 0 0 451.487 0.569 20 30 JCEDRN Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1S(=O)(=O)NCC#N ZINC001148721523 1070578085 /nfs/dbraw/zinc/57/80/85/1070578085.db2.gz WVKSFKUSRYLQNA-UHFFFAOYSA-N 0 0 459.503 0.997 20 30 JCEDRN CN(C)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC001149027249 1068215465 /nfs/dbraw/zinc/21/54/65/1068215465.db2.gz VNARXLCNPAIFDQ-HNNXBMFYSA-N 0 0 456.590 0.083 20 30 JCEDRN CN(C)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC001149027252 1068215286 /nfs/dbraw/zinc/21/52/86/1068215286.db2.gz VNARXLCNPAIFDQ-OAHLLOKOSA-N 0 0 456.590 0.083 20 30 JCEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 ZINC001152107083 1069496152 /nfs/dbraw/zinc/49/61/52/1069496152.db2.gz SLHWDVAZEDHPSD-UHFFFAOYSA-N 0 0 459.549 0.815 20 30 JCEDRN CC(C)CS(=O)(=O)N1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001152664444 1069844517 /nfs/dbraw/zinc/84/45/17/1069844517.db2.gz RSEULCLPDXYZHT-UHFFFAOYSA-N 0 0 456.590 0.682 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)CC1 ZINC001152973449 1069928869 /nfs/dbraw/zinc/92/88/69/1069928869.db2.gz KDNHRIBFVXQFHP-UHFFFAOYSA-N 0 0 454.553 0.023 20 30 JCEDRN N#C[C@H]1CNCCN1c1nc2cc(CN3CCN([C@@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001156327536 1069992152 /nfs/dbraw/zinc/99/21/52/1069992152.db2.gz DONNZBIMUNCIKT-MOPGFXCFSA-N 0 0 498.657 0.736 20 30 JCEDRN CN1CCN(c2nccc(N3CCOC[C@@]4(CN(c5ccc(C#N)cc5)C(=O)CO4)C3)n2)CC1 ZINC001164697101 719783126 /nfs/dbraw/zinc/78/31/26/719783126.db2.gz YMTWETUQEPGSBE-DEOSSOPVSA-N 0 0 463.542 0.739 20 30 JCEDRN CN1CCN(c2nccc(N3CCOC[C@]4(CN(c5ccc(C#N)cc5)C(=O)CO4)C3)n2)CC1 ZINC001164697103 719784391 /nfs/dbraw/zinc/78/43/91/719784391.db2.gz YMTWETUQEPGSBE-XMMPIXPASA-N 0 0 463.542 0.739 20 30 JCEDRN C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC001167252119 1067717734 /nfs/dbraw/zinc/71/77/34/1067717734.db2.gz UDURHNVPHXCREH-UHFFFAOYSA-N 0 0 451.545 0.773 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)CC2)o1 ZINC001167347565 1067745291 /nfs/dbraw/zinc/74/52/91/1067745291.db2.gz UAEHPDCVKBLVMM-KRWDZBQOSA-N 0 0 457.579 0.568 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H](C)C(=O)NC4CCCC4)CC3)CC2)o1 ZINC001167347566 1067745141 /nfs/dbraw/zinc/74/51/41/1067745141.db2.gz UAEHPDCVKBLVMM-QGZVFWFLSA-N 0 0 457.579 0.568 20 30 JCEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC001167488434 1067779090 /nfs/dbraw/zinc/77/90/90/1067779090.db2.gz PXHDQKCKRFFLPJ-UHFFFAOYSA-N 0 0 455.540 0.411 20 30 JCEDRN COC(=O)[C@H](CS)Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001167619923 1067829412 /nfs/dbraw/zinc/82/94/12/1067829412.db2.gz ANTVTFZQCFLODI-ZETCQYMHSA-N 0 0 484.301 0.002 20 30 JCEDRN C=C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC001167654534 1067843396 /nfs/dbraw/zinc/84/33/96/1067843396.db2.gz IEXCKHLVKALMIE-OAHLLOKOSA-N 0 0 459.952 0.625 20 30 JCEDRN C=C(C)C(=O)NCCCNc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001167667859 1067846195 /nfs/dbraw/zinc/84/61/95/1067846195.db2.gz QLEILOUBNBKKGC-UHFFFAOYSA-N 0 0 491.315 0.613 20 30 JCEDRN Cc1oc(NC(=O)[C@@H](C)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C ZINC001167772200 1068024382 /nfs/dbraw/zinc/02/43/82/1068024382.db2.gz JSBSSTIXKNDPRF-GDBMZVCRSA-N 0 0 451.549 0.016 20 30 JCEDRN Cc1oc(NC(=O)[C@H](C)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C ZINC001167772201 1068024278 /nfs/dbraw/zinc/02/42/78/1068024278.db2.gz JSBSSTIXKNDPRF-GOEBONIOSA-N 0 0 451.549 0.016 20 30 JCEDRN Cc1oc(NC(=O)[C@H](C)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C ZINC001167772202 1068024291 /nfs/dbraw/zinc/02/42/91/1068024291.db2.gz JSBSSTIXKNDPRF-HOCLYGCPSA-N 0 0 451.549 0.016 20 30 JCEDRN Cc1oc(NC(=O)[C@@H](C)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C ZINC001167772203 1068024146 /nfs/dbraw/zinc/02/41/46/1068024146.db2.gz JSBSSTIXKNDPRF-ZBFHGGJFSA-N 0 0 451.549 0.016 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]3CC[C@H](C#N)CC3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001167847981 1068076137 /nfs/dbraw/zinc/07/61/37/1068076137.db2.gz QSVBENQWFHQRNX-GKYHAWLYSA-N 0 0 492.485 0.767 20 30 JCEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1C#N ZINC001167984192 1069370131 /nfs/dbraw/zinc/37/01/31/1069370131.db2.gz QKQLVAPKCPZHQR-GOSISDBHSA-N 0 0 452.490 0.745 20 30 JCEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1C#N ZINC001167984205 1069370118 /nfs/dbraw/zinc/37/01/18/1069370118.db2.gz QKQLVAPKCPZHQR-SFHVURJKSA-N 0 0 452.490 0.745 20 30 JCEDRN N#Cc1ccc([C@@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 ZINC001167997184 1069461078 /nfs/dbraw/zinc/46/10/78/1069461078.db2.gz YESJRSNQOLEZGC-NRFANRHFSA-N 0 0 457.556 0.830 20 30 JCEDRN N#Cc1ccc([C@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 ZINC001167997185 1069461770 /nfs/dbraw/zinc/46/17/70/1069461770.db2.gz YESJRSNQOLEZGC-OAQYLSRUSA-N 0 0 457.556 0.830 20 30 JCEDRN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1Cl ZINC001168007911 1069500866 /nfs/dbraw/zinc/50/08/66/1069500866.db2.gz HXZGQKOCGVWJNO-MOPGFXCFSA-N 0 0 454.980 0.983 20 30 JCEDRN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1Cl ZINC001168007917 1069500596 /nfs/dbraw/zinc/50/05/96/1069500596.db2.gz HXZGQKOCGVWJNO-OALUTQOASA-N 0 0 454.980 0.983 20 30 JCEDRN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1Cl ZINC001168007920 1069500720 /nfs/dbraw/zinc/50/07/20/1069500720.db2.gz HXZGQKOCGVWJNO-RBUKOAKNSA-N 0 0 454.980 0.983 20 30 JCEDRN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1Cl ZINC001168007929 1069500744 /nfs/dbraw/zinc/50/07/44/1069500744.db2.gz HXZGQKOCGVWJNO-RTBURBONSA-N 0 0 454.980 0.983 20 30 JCEDRN O=C(CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001168010216 1069507922 /nfs/dbraw/zinc/50/79/22/1069507922.db2.gz QJAXXYPOIKPXHZ-MSOLQXFVSA-N 0 0 459.490 0.261 20 30 JCEDRN O=C(CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001168010218 1069508096 /nfs/dbraw/zinc/50/80/96/1069508096.db2.gz QJAXXYPOIKPXHZ-QZTJIDSGSA-N 0 0 459.490 0.261 20 30 JCEDRN O=C(CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001168010219 1069508126 /nfs/dbraw/zinc/50/81/26/1069508126.db2.gz QJAXXYPOIKPXHZ-ROUUACIJSA-N 0 0 459.490 0.261 20 30 JCEDRN O=C(CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001168010222 1069507841 /nfs/dbraw/zinc/50/78/41/1069507841.db2.gz QJAXXYPOIKPXHZ-ZWKOTPCHSA-N 0 0 459.490 0.261 20 30 JCEDRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)nc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001168042263 1069662607 /nfs/dbraw/zinc/66/26/07/1069662607.db2.gz PGSREHQJNUVOKK-SPCMXUPASA-N 0 0 454.936 0.870 20 30 JCEDRN C=C(C)C(=O)OCCNc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001168071818 1069725858 /nfs/dbraw/zinc/72/58/58/1069725858.db2.gz CVMIUYHMYBSZCR-UHFFFAOYSA-N 0 0 478.272 0.650 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC1CCC(C)CC1)C(=O)OCC ZINC001168205870 1069933476 /nfs/dbraw/zinc/93/34/76/1069933476.db2.gz LKWOZOAERVPLTM-GQGLESIBSA-N 0 0 459.609 0.961 20 30 JCEDRN N=C(Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O)c1nccs1 ZINC001168277859 1070016758 /nfs/dbraw/zinc/01/67/58/1070016758.db2.gz VDTMCKXHSLPEQN-UHFFFAOYSA-N 0 0 476.285 0.612 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001168338220 1070062863 /nfs/dbraw/zinc/06/28/63/1070062863.db2.gz BJEKIGZDRBHTJP-BPQIPLTHSA-N 0 0 452.602 0.652 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001168338222 1070062777 /nfs/dbraw/zinc/06/27/77/1070062777.db2.gz BJEKIGZDRBHTJP-KBAYOESNSA-N 0 0 452.602 0.652 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001168338223 1070062951 /nfs/dbraw/zinc/06/29/51/1070062951.db2.gz BJEKIGZDRBHTJP-NJAFHUGGSA-N 0 0 452.602 0.652 20 30 JCEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001168338225 1070062623 /nfs/dbraw/zinc/06/26/23/1070062623.db2.gz BJEKIGZDRBHTJP-NXHRZFHOSA-N 0 0 452.602 0.652 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](n2cc(NCCCCC#N)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001168435603 1067792962 /nfs/dbraw/zinc/79/29/62/1067792962.db2.gz FBDJKCNEVBZWRF-YWTNHNAXSA-N 0 0 466.447 0.379 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)cc1 ZINC001168716806 1069519176 /nfs/dbraw/zinc/51/91/76/1069519176.db2.gz RIZKQSKRMJCMNQ-UHFFFAOYSA-N 0 0 453.524 0.641 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 ZINC001168911026 1069936842 /nfs/dbraw/zinc/93/68/42/1069936842.db2.gz OJWNWUIFTSIFGO-UHFFFAOYSA-N 0 0 454.574 0.437 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC12COCCN1CCOC2 ZINC001168938139 1069938322 /nfs/dbraw/zinc/93/83/22/1069938322.db2.gz BCANEWWIICKLEW-KRWDZBQOSA-N 0 0 450.561 0.501 20 30 JCEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC12COCCN1CCOC2 ZINC001168938140 1069938044 /nfs/dbraw/zinc/93/80/44/1069938044.db2.gz BCANEWWIICKLEW-QGZVFWFLSA-N 0 0 450.561 0.501 20 30 JCEDRN C#CCCN1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001168949873 1069939163 /nfs/dbraw/zinc/93/91/63/1069939163.db2.gz OJFYNVNEOSTIIY-UHFFFAOYSA-N 0 0 450.561 0.296 20 30 JCEDRN C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001169182311 1069967907 /nfs/dbraw/zinc/96/79/07/1069967907.db2.gz XQFAROHYFASPLP-DOQJBMMISA-N 0 0 492.602 0.135 20 30 JCEDRN C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001169182313 1069967875 /nfs/dbraw/zinc/96/78/75/1069967875.db2.gz XQFAROHYFASPLP-SMASLZHESA-N 0 0 492.602 0.135 20 30 JCEDRN C=CCOC(=O)C[C@H](N[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)OCC=C ZINC001169182819 1069968926 /nfs/dbraw/zinc/96/89/26/1069968926.db2.gz DNRSLYXTJFDCCT-IRXDYDNUSA-N 0 0 475.546 0.799 20 30 JCEDRN C=CCOC(=O)C[C@H](N[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)OCC=C ZINC001169182820 1069968713 /nfs/dbraw/zinc/96/87/13/1069968713.db2.gz DNRSLYXTJFDCCT-SJORKVTESA-N 0 0 475.546 0.799 20 30 JCEDRN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001169194626 1069951086 /nfs/dbraw/zinc/95/10/86/1069951086.db2.gz AUWALCIAQPOSIT-KBPBESRZSA-N 0 0 492.539 0.009 20 30 JCEDRN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001169194627 1069951013 /nfs/dbraw/zinc/95/10/13/1069951013.db2.gz AUWALCIAQPOSIT-KGLIPLIRSA-N 0 0 492.539 0.009 20 30 JCEDRN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001169194628 1069951138 /nfs/dbraw/zinc/95/11/38/1069951138.db2.gz AUWALCIAQPOSIT-UONOGXRCSA-N 0 0 492.539 0.009 20 30 JCEDRN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001169194629 1069951258 /nfs/dbraw/zinc/95/12/58/1069951258.db2.gz AUWALCIAQPOSIT-ZIAGYGMSSA-N 0 0 492.539 0.009 20 30 JCEDRN C=CCOC[C@H]1c2nnn(C)c2CCN1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169207272 1069971626 /nfs/dbraw/zinc/97/16/26/1069971626.db2.gz WKOCCYJFDNAKPU-AEFFLSMTSA-N 0 0 470.578 0.923 20 30 JCEDRN C=CCOC[C@@H]1c2nnn(C)c2CCN1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169207273 1069971586 /nfs/dbraw/zinc/97/15/86/1069971586.db2.gz WKOCCYJFDNAKPU-FUHWJXTLSA-N 0 0 470.578 0.923 20 30 JCEDRN C=CCOC[C@@H]1c2nnn(C)c2CCN1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169207274 1069971472 /nfs/dbraw/zinc/97/14/72/1069971472.db2.gz WKOCCYJFDNAKPU-SJLPKXTDSA-N 0 0 470.578 0.923 20 30 JCEDRN C=CCOC[C@H]1c2nnn(C)c2CCN1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169207275 1069971433 /nfs/dbraw/zinc/97/14/33/1069971433.db2.gz WKOCCYJFDNAKPU-WMZOPIPTSA-N 0 0 470.578 0.923 20 30 JCEDRN CCOC(=O)C(C)N=Nc1cc(NCCN2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC001169344323 1069985254 /nfs/dbraw/zinc/98/52/54/1069985254.db2.gz CILJKOCIQKDYJJ-ZHZULCJRSA-N 0 0 456.525 0.935 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNc2ccccc2COC(=O)ON2C(=O)CCC2=O)CC1 ZINC001169344869 1069985520 /nfs/dbraw/zinc/98/55/20/1069985520.db2.gz WCSLMLQDESQKMV-UHFFFAOYSA-N 0 0 454.505 0.393 20 30 JCEDRN C#C[C@@](C)(CC)Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O ZINC001169700750 1069999560 /nfs/dbraw/zinc/99/95/60/1069999560.db2.gz XBMMJSIAJVPGAJ-CIEXMTFESA-N 0 0 465.459 0.487 20 30 JCEDRN C#C[C@](C)(CC)Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O ZINC001169700751 1069999604 /nfs/dbraw/zinc/99/96/04/1069999604.db2.gz XBMMJSIAJVPGAJ-YHMUCNLWSA-N 0 0 465.459 0.487 20 30 JCEDRN C=CC[C@@H](Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O)C(=O)OC ZINC001169839251 1070002351 /nfs/dbraw/zinc/00/23/51/1070002351.db2.gz VAAOEYKJCNRNRP-SECBINFHSA-N 0 0 478.272 0.648 20 30 JCEDRN C=CC[C@H](Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O)C(=O)OC ZINC001169839253 1070002232 /nfs/dbraw/zinc/00/22/32/1070002232.db2.gz VAAOEYKJCNRNRP-VIFPVBQESA-N 0 0 478.272 0.648 20 30 JCEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001169880795 1070003550 /nfs/dbraw/zinc/00/35/50/1070003550.db2.gz PINOMJLWTGWYGQ-MSOLQXFVSA-N 0 0 451.618 0.957 20 30 JCEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001169880796 1070003298 /nfs/dbraw/zinc/00/32/98/1070003298.db2.gz PINOMJLWTGWYGQ-QZTJIDSGSA-N 0 0 451.618 0.957 20 30 JCEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001169880798 1070003221 /nfs/dbraw/zinc/00/32/21/1070003221.db2.gz PINOMJLWTGWYGQ-ROUUACIJSA-N 0 0 451.618 0.957 20 30 JCEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001169880800 1070003452 /nfs/dbraw/zinc/00/34/52/1070003452.db2.gz PINOMJLWTGWYGQ-ZWKOTPCHSA-N 0 0 451.618 0.957 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1CCO[C@H](CC)C1)C(=O)OCC ZINC001170191450 1070079071 /nfs/dbraw/zinc/07/90/71/1070079071.db2.gz JUFJYYXLTFPIOD-NCOADZHNSA-N 0 0 475.608 0.339 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1CCO[C@@H](CC)C1)C(=O)OCC ZINC001170191451 1070078771 /nfs/dbraw/zinc/07/87/71/1070078771.db2.gz JUFJYYXLTFPIOD-QAETUUGQSA-N 0 0 475.608 0.339 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1CCO[C@@H](CC)C1)C(=O)OCC ZINC001170191452 1070078844 /nfs/dbraw/zinc/07/88/44/1070078844.db2.gz JUFJYYXLTFPIOD-QZWWFDLISA-N 0 0 475.608 0.339 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1CCO[C@H](CC)C1)C(=O)OCC ZINC001170191453 1070078877 /nfs/dbraw/zinc/07/88/77/1070078877.db2.gz JUFJYYXLTFPIOD-YVSFHVDLSA-N 0 0 475.608 0.339 20 30 JCEDRN C#CCN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC1 ZINC001170248894 1070080447 /nfs/dbraw/zinc/08/04/47/1070080447.db2.gz AXPQVXPUXCVPEQ-UHFFFAOYSA-N 0 0 459.572 0.304 20 30 JCEDRN C=CCCCNc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O ZINC001170302129 1070080529 /nfs/dbraw/zinc/08/05/29/1070080529.db2.gz VKYDZXZDGSESCB-YWTNHNAXSA-N 0 0 453.448 0.651 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](n2cc(NCC(C)(C)S)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170309131 1070081535 /nfs/dbraw/zinc/08/15/35/1070081535.db2.gz OTNFBJVQTLYTHW-KCYZZUKISA-N 0 0 473.504 0.393 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](n2cc(NCC#Cc3ccccc3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170429401 1070099715 /nfs/dbraw/zinc/09/97/15/1070099715.db2.gz PGZWZSVLHAPPJQ-YYTDSSBASA-N 0 0 499.476 0.736 20 30 JCEDRN N#C[C@H](Nc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)nn1)C(N)=O ZINC001170532988 1070169476 /nfs/dbraw/zinc/16/94/76/1070169476.db2.gz RTWCXNJNYQPUGC-INIZCTEOSA-N 0 0 472.508 0.850 20 30 JCEDRN N#C[C@@H](Nc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)nn1)C(N)=O ZINC001170532989 1070169446 /nfs/dbraw/zinc/16/94/46/1070169446.db2.gz RTWCXNJNYQPUGC-MRXNPFEDSA-N 0 0 472.508 0.850 20 30 JCEDRN COc1cc2c(cc1NS(=O)(=O)c1ccc(N[C@@H](C#N)C(N)=O)cc1C)n(C)c(=O)n2C ZINC001170534692 1070170201 /nfs/dbraw/zinc/17/02/01/1070170201.db2.gz CTNXXDGDYVVXGN-AWEZNQCLSA-N 0 0 458.500 0.784 20 30 JCEDRN COc1cc2c(cc1NS(=O)(=O)c1ccc(N[C@H](C#N)C(N)=O)cc1C)n(C)c(=O)n2C ZINC001170534695 1070170232 /nfs/dbraw/zinc/17/02/32/1070170232.db2.gz CTNXXDGDYVVXGN-CQSZACIVSA-N 0 0 458.500 0.784 20 30 JCEDRN CS(=O)(=O)N=S1(=O)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC001170593843 1070200284 /nfs/dbraw/zinc/20/02/84/1070200284.db2.gz PFLBAXIWYQGJCS-HNNXBMFYSA-N 0 0 459.619 0.200 20 30 JCEDRN CS(=O)(=O)N=S1(=O)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC001170593844 1070200484 /nfs/dbraw/zinc/20/04/84/1070200484.db2.gz PFLBAXIWYQGJCS-OAHLLOKOSA-N 0 0 459.619 0.200 20 30 JCEDRN C#CCNC(=O)CN1CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)CCC)CC1 ZINC001170614906 1070205461 /nfs/dbraw/zinc/20/54/61/1070205461.db2.gz SWZUQDYRMAXZDH-UHFFFAOYSA-N 0 0 455.602 0.011 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3ncc4c(n3)NC(=O)C4)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170629374 1070208269 /nfs/dbraw/zinc/20/82/69/1070208269.db2.gz DVRZHAPQBQZRQN-GOSISDBHSA-N 0 0 490.499 0.972 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3ncnc4c3CC(=O)N4)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170629799 1070208169 /nfs/dbraw/zinc/20/81/69/1070208169.db2.gz HLXPNDQHUKFSDJ-QGZVFWFLSA-N 0 0 490.499 0.972 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3ccc(CC(N)=O)nn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170629927 1070208241 /nfs/dbraw/zinc/20/82/41/1070208241.db2.gz CQFSOXLFIGDPEP-LJQANCHMSA-N 0 0 492.515 0.505 20 30 JCEDRN Cn1nc(N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)ccc1=O ZINC001170629933 1070208263 /nfs/dbraw/zinc/20/82/63/1070208263.db2.gz DABDJUGIOCXMJW-GOSISDBHSA-N 0 0 465.489 0.781 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3ccnc(C(N)=O)c3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170629952 1070208095 /nfs/dbraw/zinc/20/80/95/1070208095.db2.gz DYTIIEAJFNVAIE-LJQANCHMSA-N 0 0 477.500 0.603 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3cnc(C(N)=O)nc3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170630178 1070208215 /nfs/dbraw/zinc/20/82/15/1070208215.db2.gz GAJRLQXULIJDTF-QGZVFWFLSA-N 0 0 478.488 0.576 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3cnc(C(N)=O)cn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170630349 1070208108 /nfs/dbraw/zinc/20/81/08/1070208108.db2.gz LNZDKYJNGBQHDU-QGZVFWFLSA-N 0 0 478.488 0.576 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3nnc(Cl)nn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170630921 1070208791 /nfs/dbraw/zinc/20/87/91/1070208791.db2.gz PWIQNSMUZQUTSD-OAHLLOKOSA-N 0 0 471.884 0.920 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3cc(C(N)=O)ncn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170630931 1070208860 /nfs/dbraw/zinc/20/88/60/1070208860.db2.gz QGTDEGQYFPMKQW-QGZVFWFLSA-N 0 0 478.488 0.576 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3ncncc3C#N)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170631100 1070208871 /nfs/dbraw/zinc/20/88/71/1070208871.db2.gz SYHMZSCNPUFYRW-LJQANCHMSA-N 0 0 460.473 0.771 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](Nc3c[n+]([O-])ccn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001170631548 1070208810 /nfs/dbraw/zinc/20/88/10/1070208810.db2.gz XOUISMPVFZQCQO-GOSISDBHSA-N 0 0 451.462 0.715 20 30 JCEDRN CNC(=O)c1cnc(N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)nc1 ZINC001170631665 1070208848 /nfs/dbraw/zinc/20/88/48/1070208848.db2.gz ZUEHJGDQDLVDBU-LJQANCHMSA-N 0 0 492.515 0.837 20 30 JCEDRN COC(=O)c1nccc(N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)n1 ZINC001170633503 1070209758 /nfs/dbraw/zinc/20/97/58/1070209758.db2.gz CRVIHQHKRDWCKJ-GOSISDBHSA-N 0 0 493.499 0.685 20 30 JCEDRN CCOC(=O)COc1cc(Cl)c(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nc1C#N ZINC001170687469 1070232435 /nfs/dbraw/zinc/23/24/35/1070232435.db2.gz LPHARDMTESCLJO-ZDUSSCGKSA-N 0 0 464.866 0.195 20 30 JCEDRN [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccccc1COC(=O)ON1C(=O)CCC1=O)C(=O)[O-] ZINC001170691178 1070235454 /nfs/dbraw/zinc/23/54/54/1070235454.db2.gz GWRWFFCHEMZGCF-HNNXBMFYSA-N 0 0 473.442 0.050 20 30 JCEDRN CCOC(=O)C(C)N=Nc1cc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])ccc1[N+](=O)[O-] ZINC001170693715 1070237797 /nfs/dbraw/zinc/23/77/97/1070237797.db2.gz PZBRNEVGDARIFU-OGQLAUOESA-N 0 0 475.462 0.592 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C(=O)OCC ZINC001170736011 1070252108 /nfs/dbraw/zinc/25/21/08/1070252108.db2.gz CWJDSIJMCHTGSY-KSWRQPAISA-N 0 0 471.620 0.816 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1C[C@@H]2[C@H](C1)C2(C)C)C(=O)OCC ZINC001170736012 1070252030 /nfs/dbraw/zinc/25/20/30/1070252030.db2.gz CWJDSIJMCHTGSY-QEOTZNIISA-N 0 0 471.620 0.816 20 30 JCEDRN C=C[C@@H]1C[C@]1(Nc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170742541 1070253586 /nfs/dbraw/zinc/25/35/86/1070253586.db2.gz JNOBXXLBBLDSPC-AUUYWEPGSA-N 0 0 469.589 0.128 20 30 JCEDRN C=C[C@@H]1C[C@]1(Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170748444 1070268672 /nfs/dbraw/zinc/26/86/72/1070268672.db2.gz DSCXJUNNJAXRHS-JLTOFOAXSA-N 0 0 468.601 0.682 20 30 JCEDRN CC(C)[C@H](Nc1ncc(C#N)cn1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170843517 1070288604 /nfs/dbraw/zinc/28/86/04/1070288604.db2.gz CKTZRPKIWZQSIF-OALUTQOASA-N 0 0 482.545 0.613 20 30 JCEDRN CC(C)[C@H](Nc1cnc(CC#N)nc1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170843623 1070287803 /nfs/dbraw/zinc/28/78/03/1070287803.db2.gz DGNPBIOIMGBYOP-FPOVZHCZSA-N 0 0 496.572 0.807 20 30 JCEDRN CC(C)[C@H](Nc1cncnc1C#N)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170843659 1070287718 /nfs/dbraw/zinc/28/77/18/1070287718.db2.gz FUDVSIFVZMQPJE-PMACEKPBSA-N 0 0 482.545 0.613 20 30 JCEDRN Cc1cc(C#N)nc(N[C@H](C(=O)N(c2ccc(CO)cc2)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C)n1 ZINC001170843695 1070287859 /nfs/dbraw/zinc/28/78/59/1070287859.db2.gz DGRBTXXQCWQENQ-PMACEKPBSA-N 0 0 496.572 0.921 20 30 JCEDRN CC(C)[C@H](Nc1ncncc1C#N)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170843704 1070287750 /nfs/dbraw/zinc/28/77/50/1070287750.db2.gz DSJGFVJVCXSCIB-OALUTQOASA-N 0 0 482.545 0.035 20 30 JCEDRN CC(C)[C@H](Nc1ccnc(C#N)n1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170843727 1070287782 /nfs/dbraw/zinc/28/77/82/1070287782.db2.gz FNCGCQQPCOHYCW-PXNSSMCTSA-N 0 0 482.545 0.613 20 30 JCEDRN CC(C)[C@H](Nc1ccnc(C#N)c1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170844751 1070289994 /nfs/dbraw/zinc/28/99/94/1070289994.db2.gz ZKKBYZIIICQCAB-SFTDATJTSA-N 0 0 481.557 0.640 20 30 JCEDRN CC(C)[C@H](Nc1cc(C#N)ncn1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170844888 1070289957 /nfs/dbraw/zinc/28/99/57/1070289957.db2.gz OFOFMQGIFFFGLZ-ICSRJNTNSA-N 0 0 482.545 0.613 20 30 JCEDRN CC(C)[C@H](Nc1ccc(C#N)nn1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170845179 1070288512 /nfs/dbraw/zinc/28/85/12/1070288512.db2.gz TTZXCFHVMUWIJF-ICSRJNTNSA-N 0 0 482.545 0.613 20 30 JCEDRN CC(C)[C@H](Nc1nnccc1C#N)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170845185 1070288452 /nfs/dbraw/zinc/28/84/52/1070288452.db2.gz TYQQDZMTCCCFMD-OALUTQOASA-N 0 0 482.545 0.613 20 30 JCEDRN CC(C)[C@H](Nc1nccc(C#N)n1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170845201 1070288500 /nfs/dbraw/zinc/28/85/00/1070288500.db2.gz UKDRVFBDCCLDOM-OALUTQOASA-N 0 0 482.545 0.613 20 30 JCEDRN Cc1cnc(C#N)c(N[C@H](C(=O)N(c2ccc(CO)cc2)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C)n1 ZINC001170845314 1070288493 /nfs/dbraw/zinc/28/84/93/1070288493.db2.gz VTJOCDUTAWKJRL-PMACEKPBSA-N 0 0 496.572 0.921 20 30 JCEDRN C=CC(=NCOC)N[C@H](C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C ZINC001170845782 1070289795 /nfs/dbraw/zinc/28/97/95/1070289795.db2.gz ZCFRIXIDGTZHAQ-ICSRJNTNSA-N 0 0 476.578 0.617 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941017 1070319613 /nfs/dbraw/zinc/31/96/13/1070319613.db2.gz ADGVVMVEDMEBNF-FEBARNBZSA-N 0 0 494.413 0.356 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccnc2CC#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941066 1070320247 /nfs/dbraw/zinc/32/02/47/1070320247.db2.gz AREFZOQBSGOZKA-HGJKNBTDSA-N 0 0 464.431 0.038 20 30 JCEDRN COc1ccc(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)nc1CC#N ZINC001170941091 1070320540 /nfs/dbraw/zinc/32/05/40/1070320540.db2.gz BEKIJUZBGOSSPY-MSEOUXRUSA-N 0 0 493.469 0.651 20 30 JCEDRN COc1nc(C)nc(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)c1C#N ZINC001170941237 1070320975 /nfs/dbraw/zinc/32/09/75/1070320975.db2.gz BOOURNSCYXPFRX-PDOZGGDVSA-N 0 0 494.457 0.160 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941286 1070320909 /nfs/dbraw/zinc/32/09/09/1070320909.db2.gz BWBWBISUQBFAGG-YHUYVZNPSA-N 0 0 494.413 0.356 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(C#N)ccc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941447 1070321314 /nfs/dbraw/zinc/32/13/14/1070321314.db2.gz CPADVEYCMGZPCX-DRJBRKBZSA-N 0 0 463.443 0.757 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc(C#N)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941470 1070321638 /nfs/dbraw/zinc/32/16/38/1070321638.db2.gz CQCOMQOVKQADGE-HGJKNBTDSA-N 0 0 494.413 0.356 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cccc(CC#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941505 1070321812 /nfs/dbraw/zinc/32/18/12/1070321812.db2.gz DYKIORYLWYLRPR-GHRYLNIYSA-N 0 0 463.443 0.643 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(CC#N)cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941507 1070321937 /nfs/dbraw/zinc/32/19/37/1070321937.db2.gz FAKADJGTNGROQD-GHRYLNIYSA-N 0 0 463.443 0.643 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(C#N)c(C)cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941571 1070322137 /nfs/dbraw/zinc/32/21/37/1070322137.db2.gz FPTPLJBMRYBYOZ-GHRYLNIYSA-N 0 0 463.443 0.757 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc(CC#N)nc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941590 1070322078 /nfs/dbraw/zinc/32/20/78/1070322078.db2.gz FTVGHVYOAQHURV-YHUYVZNPSA-N 0 0 464.431 0.038 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(OCC#N)cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941675 1070320407 /nfs/dbraw/zinc/32/04/07/1070320407.db2.gz HCECBEXWCLOGCI-GHRYLNIYSA-N 0 0 479.442 0.479 20 30 JCEDRN COc1nc(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)ccc1C#N ZINC001170941790 1070320872 /nfs/dbraw/zinc/32/08/72/1070320872.db2.gz ICPMIYBJOFQNID-POVPESKVSA-N 0 0 479.442 0.457 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncccc2CC#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941842 1070322878 /nfs/dbraw/zinc/32/28/78/1070322878.db2.gz JGGRNXFJVOSAHT-DRJBRKBZSA-N 0 0 463.443 0.643 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(C)cnc2C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941898 1070322898 /nfs/dbraw/zinc/32/28/98/1070322898.db2.gz KRGINDUGCHEDJG-HGJKNBTDSA-N 0 0 464.431 0.152 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(C)nc2C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942020 1070322953 /nfs/dbraw/zinc/32/29/53/1070322953.db2.gz LGNGJOUKMSTWIW-PFAUGDHASA-N 0 0 463.443 0.757 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc3c(c2C#N)CCC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942056 1070323780 /nfs/dbraw/zinc/32/37/80/1070323780.db2.gz MQJUXJDDKUNMBV-XARADAHVSA-N 0 0 489.481 0.937 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(C)cc(C#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942121 1070324035 /nfs/dbraw/zinc/32/40/35/1070324035.db2.gz NYGKWVAHTVGZHS-FVVUREQNSA-N 0 0 464.431 0.152 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc3c(C#N)c[nH]c3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942625 1070324850 /nfs/dbraw/zinc/32/48/50/1070324850.db2.gz ATDGUQBKSIXHHU-MSEOUXRUSA-N 0 0 488.453 0.930 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2c(C)ccnc2C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942645 1070325043 /nfs/dbraw/zinc/32/50/43/1070325043.db2.gz AVHNVHFSVGQIML-GHRYLNIYSA-N 0 0 463.443 0.757 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc(F)c(C#N)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942676 1070325386 /nfs/dbraw/zinc/32/53/86/1070325386.db2.gz CCDRZBJJRAGOAO-HGJKNBTDSA-N 0 0 467.406 0.587 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(Cl)cc(C#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942739 1070324236 /nfs/dbraw/zinc/32/42/36/1070324236.db2.gz PYIYRWLDFJPVEA-JVNHZCFISA-N 0 0 484.849 0.497 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(C#N)c(C#N)nc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942752 1070326226 /nfs/dbraw/zinc/32/62/26/1070326226.db2.gz QMNFBKKTKNSVPY-DRJBRKBZSA-N 0 0 489.441 0.023 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc3nc[nH]c3c(C#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942773 1070322777 /nfs/dbraw/zinc/32/27/77/1070322777.db2.gz RQXJJEQWLHRVIE-RMLALMNNSA-N 0 0 489.441 0.325 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccc(C#N)c2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942898 1070329269 /nfs/dbraw/zinc/32/92/69/1070329269.db2.gz UVHSDFPVZMYUNZ-DRJBRKBZSA-N 0 0 463.443 0.757 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170943178 1070325878 /nfs/dbraw/zinc/32/58/78/1070325878.db2.gz IJHWVGZWLXMMTE-PFAUGDHASA-N 0 0 493.425 0.961 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc3[nH]cc(C#N)c3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170943213 1070326529 /nfs/dbraw/zinc/32/65/29/1070326529.db2.gz JOQAVJXRWNPCRS-CDVBAKLBSA-N 0 0 488.453 0.930 20 30 JCEDRN CC#Cc1cncc(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)c1 ZINC001170943243 1070327354 /nfs/dbraw/zinc/32/73/54/1070327354.db2.gz KXUBWJKASJJVIU-ZGJYDULXSA-N 0 0 462.455 0.948 20 30 JCEDRN COc1cc(C#N)cnc1N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001170943338 1070327029 /nfs/dbraw/zinc/32/70/29/1070327029.db2.gz VMWBOTFPULOWHP-DRJBRKBZSA-N 0 0 479.442 0.457 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc(C#N)cc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170943352 1070327109 /nfs/dbraw/zinc/32/71/09/1070327109.db2.gz VZKQLSQRHCHKLH-DRJBRKBZSA-N 0 0 463.443 0.757 20 30 JCEDRN CCc1nc(C#N)cc(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)n1 ZINC001170943370 1070327370 /nfs/dbraw/zinc/32/73/70/1070327370.db2.gz XCWFWQMJDDUVEA-RMLALMNNSA-N 0 0 478.458 0.406 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(Cl)nc(CC#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170943382 1070327634 /nfs/dbraw/zinc/32/76/34/1070327634.db2.gz XOORHXVLUMTGHJ-NVAYWJMMSA-N 0 0 498.876 0.691 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc(C#N)c([N+](=O)[O-])c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170943391 1070327590 /nfs/dbraw/zinc/32/75/90/1070327590.db2.gz XVMQCKMXIQVQPH-LASHMREHSA-N 0 0 494.413 0.356 20 30 JCEDRN COc1cnc(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)c(C#N)c1 ZINC001170943409 1070328459 /nfs/dbraw/zinc/32/84/59/1070328459.db2.gz YXZDXGLXDBRJOJ-DRJBRKBZSA-N 0 0 479.442 0.457 20 30 JCEDRN COc1ccc(C#N)c(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)n1 ZINC001170943588 1070328836 /nfs/dbraw/zinc/32/88/36/1070328836.db2.gz MAJFVDJYCHQJAX-POVPESKVSA-N 0 0 479.442 0.457 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cccc(/C=N/O)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170943663 1070329054 /nfs/dbraw/zinc/32/90/54/1070329054.db2.gz NBUZAQZMFTWCFM-AGZCFPRJSA-N 0 0 466.443 0.990 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cncc(F)c2C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170944083 1070329837 /nfs/dbraw/zinc/32/98/37/1070329837.db2.gz RSPOKXUAPBDKTO-LASHMREHSA-N 0 0 467.406 0.587 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(C#N)cc(C#N)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170944277 1070329871 /nfs/dbraw/zinc/32/98/71/1070329871.db2.gz VOAXISUBJNYAJD-ZGJYDULXSA-N 0 0 473.438 0.925 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170944299 1070330661 /nfs/dbraw/zinc/33/06/61/1070330661.db2.gz WOSBHKMZBKIORA-PFAUGDHASA-N 0 0 493.425 0.961 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cncc(CC#N)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170944337 1070330620 /nfs/dbraw/zinc/33/06/20/1070330620.db2.gz YRZIVLYDOKNXIT-PFAUGDHASA-N 0 0 463.443 0.643 20 30 JCEDRN C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C ZINC001171025356 1070367539 /nfs/dbraw/zinc/36/75/39/1070367539.db2.gz DRABAXRMZGEJII-KRWDZBQOSA-N 0 0 451.545 0.767 20 30 JCEDRN C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C ZINC001171025357 1070367933 /nfs/dbraw/zinc/36/79/33/1070367933.db2.gz DRABAXRMZGEJII-QGZVFWFLSA-N 0 0 451.545 0.767 20 30 JCEDRN CCOC(=O)COc1cc(Cl)c(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)nc1C#N ZINC001171082631 1070390703 /nfs/dbraw/zinc/39/07/03/1070390703.db2.gz YOJGLXOPICWYBH-UHFFFAOYSA-N 0 0 464.866 0.348 20 30 JCEDRN Cc1cn(CC(=O)NCCNc2ccccc2COC(=O)ON2C(=O)CCC2=O)c(=O)[nH]c1=O ZINC001171084147 1070390407 /nfs/dbraw/zinc/39/04/07/1070390407.db2.gz GWPWZDMIPHROJD-UHFFFAOYSA-N 0 0 473.442 0.203 20 30 JCEDRN CCOC(=O)C(C)N=Nc1cc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)ccc1[N+](=O)[O-] ZINC001171089894 1070395412 /nfs/dbraw/zinc/39/54/12/1070395412.db2.gz AIXFAAHAMNZNGB-CFRMEGHHSA-N 0 0 475.462 0.745 20 30 JCEDRN CSc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001171260318 1070466094 /nfs/dbraw/zinc/46/60/94/1070466094.db2.gz AKOZPXSJOSGPPT-QSFMABPGSA-N 0 0 481.538 0.758 20 30 JCEDRN N#CCCN(C(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)nc1)c1ccccc1 ZINC001171262247 1070471160 /nfs/dbraw/zinc/47/11/60/1070471160.db2.gz BKCCFUQBUXXQBF-XMXZMMKCSA-N 0 0 491.508 0.354 20 30 JCEDRN C/C(=N\[S@](=O)C(C)(C)C)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc1 ZINC001171267325 1070473929 /nfs/dbraw/zinc/47/39/29/1070473929.db2.gz XGSVMZQNDTZNDW-ZBQLJJRJSA-N 0 0 463.560 0.836 20 30 JCEDRN CCOC(=O)c1cc2c(ncnc2N[C@@H]2C(=O)N(O)C[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001171363736 1068221519 /nfs/dbraw/zinc/22/15/19/1068221519.db2.gz OKMJIEIANLZGQJ-LRDDRELGSA-N 0 0 459.484 0.915 20 30 JCEDRN CNS(=O)(=O)c1ccc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC001171712847 1068233658 /nfs/dbraw/zinc/23/36/58/1068233658.db2.gz DVDMAZJZVASUBE-UHFFFAOYSA-N 0 0 450.542 0.382 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1Cc2cccc(F)c2C1)C(=O)OCC ZINC001171788816 1068235911 /nfs/dbraw/zinc/23/59/11/1068235911.db2.gz XLWZPVLMKXISRR-MNEFBYGVSA-N 0 0 497.589 0.688 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1Cc2cccc(F)c2C1)C(=O)OCC ZINC001171788817 1068235556 /nfs/dbraw/zinc/23/55/56/1068235556.db2.gz XLWZPVLMKXISRR-SNRMKQJTSA-N 0 0 497.589 0.688 20 30 JCEDRN C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)CC(=O)OC(C)(C)C ZINC001171791788 1068236593 /nfs/dbraw/zinc/23/65/93/1068236593.db2.gz PFLWSIYESAHKPG-UHFFFAOYSA-N 0 0 451.545 0.923 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)C1=O ZINC001171897308 1068238286 /nfs/dbraw/zinc/23/82/86/1068238286.db2.gz GQRAKXZJHBWRQB-CABCVRRESA-N 0 0 459.503 0.671 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001171897309 1068238277 /nfs/dbraw/zinc/23/82/77/1068238277.db2.gz GQRAKXZJHBWRQB-GJZGRUSLSA-N 0 0 459.503 0.671 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)C1=O ZINC001171897310 1068238235 /nfs/dbraw/zinc/23/82/35/1068238235.db2.gz GQRAKXZJHBWRQB-HUUCEWRRSA-N 0 0 459.503 0.671 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)C1=O ZINC001171897311 1068238023 /nfs/dbraw/zinc/23/80/23/1068238023.db2.gz GQRAKXZJHBWRQB-LSDHHAIUSA-N 0 0 459.503 0.671 20 30 JCEDRN C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H](C)COC ZINC001171915763 1068238041 /nfs/dbraw/zinc/23/80/41/1068238041.db2.gz GRPBPSCZZQIAOO-KRWDZBQOSA-N 0 0 453.561 0.814 20 30 JCEDRN C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H](C)COC ZINC001171915764 1068238161 /nfs/dbraw/zinc/23/81/61/1068238161.db2.gz GRPBPSCZZQIAOO-QGZVFWFLSA-N 0 0 453.561 0.814 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC1C[C@H]2CC[C@@H](C1)O2)C(=O)OCC ZINC001172222863 1068244487 /nfs/dbraw/zinc/24/44/87/1068244487.db2.gz JMENFLFFIMHXIA-QHEDDYRISA-N 0 0 473.592 0.092 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H](C)CCO[C@H](C)CC)C(=O)OCC ZINC001172350058 1068247588 /nfs/dbraw/zinc/24/75/88/1068247588.db2.gz NOZSOTJKTHALQO-BDXSIMOUSA-N 0 0 491.651 0.976 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H](C)CCO[C@H](C)CC)C(=O)OCC ZINC001172350061 1068247321 /nfs/dbraw/zinc/24/73/21/1068247321.db2.gz NOZSOTJKTHALQO-MHORFTMASA-N 0 0 491.651 0.976 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H](C)CCO[C@@H](C)CC)C(=O)OCC ZINC001172350069 1068247469 /nfs/dbraw/zinc/24/74/69/1068247469.db2.gz NOZSOTJKTHALQO-OWSLCNJRSA-N 0 0 491.651 0.976 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H](C)CCO[C@@H](C)CC)C(=O)OCC ZINC001172350071 1068247429 /nfs/dbraw/zinc/24/74/29/1068247429.db2.gz NOZSOTJKTHALQO-XSLAGTTESA-N 0 0 491.651 0.976 20 30 JCEDRN CCOCC[C@H](C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001172420136 1068248195 /nfs/dbraw/zinc/24/81/95/1068248195.db2.gz KVSWNAWVXVQQMF-JYJNAYRXSA-N 0 0 463.597 0.197 20 30 JCEDRN CCOCC[C@@H](C)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001172420141 1068248501 /nfs/dbraw/zinc/24/85/01/1068248501.db2.gz KVSWNAWVXVQQMF-PMPSAXMXSA-N 0 0 463.597 0.197 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H](C)CCOC(C)C)C(=O)OCC ZINC001172445090 1068248879 /nfs/dbraw/zinc/24/88/79/1068248879.db2.gz ONOJLGFIMRJIAQ-IKGGRYGDSA-N 0 0 477.624 0.585 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H](C)CCOC(C)C)C(=O)OCC ZINC001172445094 1068248905 /nfs/dbraw/zinc/24/89/05/1068248905.db2.gz ONOJLGFIMRJIAQ-ULQDDVLXSA-N 0 0 477.624 0.585 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H](C)CCOCC(C)C)C(=O)OCC ZINC001172473096 1068249147 /nfs/dbraw/zinc/24/91/47/1068249147.db2.gz SQTFTUPKDSICJY-BZSNNMDCSA-N 0 0 491.651 0.833 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H](C)CCOCC(C)C)C(=O)OCC ZINC001172473097 1068249037 /nfs/dbraw/zinc/24/90/37/1068249037.db2.gz SQTFTUPKDSICJY-SQNIBIBYSA-N 0 0 491.651 0.833 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H](C)CCCC#N)C(=O)OCC ZINC001172492185 1068249671 /nfs/dbraw/zinc/24/96/71/1068249671.db2.gz LDGYUXGEAFIKAC-JYJNAYRXSA-N 0 0 458.581 0.464 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H](C)CCCC#N)C(=O)OCC ZINC001172492188 1068249641 /nfs/dbraw/zinc/24/96/41/1068249641.db2.gz LDGYUXGEAFIKAC-PMPSAXMXSA-N 0 0 458.581 0.464 20 30 JCEDRN Cc1cc(F)ccc1[C@H]1C[C@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCN1C(=O)OC(C)(C)C ZINC001172581373 1068251944 /nfs/dbraw/zinc/25/19/44/1068251944.db2.gz QZSVLKGTMBWGLP-IZXGSOTDSA-N 0 0 470.538 0.807 20 30 JCEDRN Cc1cc(F)ccc1[C@H]1C[C@@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCN1C(=O)OC(C)(C)C ZINC001172581374 1068251897 /nfs/dbraw/zinc/25/18/97/1068251897.db2.gz QZSVLKGTMBWGLP-JSNNEVCYSA-N 0 0 470.538 0.807 20 30 JCEDRN Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCN1C(=O)OC(C)(C)C ZINC001172581375 1068251705 /nfs/dbraw/zinc/25/17/05/1068251705.db2.gz QZSVLKGTMBWGLP-UDBQEWARSA-N 0 0 470.538 0.807 20 30 JCEDRN Cc1cc(F)ccc1[C@@H]1C[C@@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCN1C(=O)OC(C)(C)C ZINC001172581376 1068251814 /nfs/dbraw/zinc/25/18/14/1068251814.db2.gz QZSVLKGTMBWGLP-WZKVNAJBSA-N 0 0 470.538 0.807 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)Cc3ccccc32)cc1 ZINC001172683457 1068252612 /nfs/dbraw/zinc/25/26/12/1068252612.db2.gz INRSUGZULUSREY-PJUKLUKMSA-N 0 0 492.594 0.127 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)Cc3ccccc32)cc1 ZINC001172683458 1068253545 /nfs/dbraw/zinc/25/35/45/1068253545.db2.gz INRSUGZULUSREY-ROKMFXFQSA-N 0 0 492.594 0.127 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1CCC[C@@H](OC)C1)C(=O)OCC ZINC001172926265 1068259656 /nfs/dbraw/zinc/25/96/56/1068259656.db2.gz ADQIJUYJUMLUAW-NCOADZHNSA-N 0 0 475.608 0.339 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1CCC[C@H](OC)C1)C(=O)OCC ZINC001172926268 1068259780 /nfs/dbraw/zinc/25/97/80/1068259780.db2.gz ADQIJUYJUMLUAW-QAETUUGQSA-N 0 0 475.608 0.339 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1CCC[C@H](OC)C1)C(=O)OCC ZINC001172926271 1068259792 /nfs/dbraw/zinc/25/97/92/1068259792.db2.gz ADQIJUYJUMLUAW-QZWWFDLISA-N 0 0 475.608 0.339 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1CCC[C@@H](OC)C1)C(=O)OCC ZINC001172926272 1068259683 /nfs/dbraw/zinc/25/96/83/1068259683.db2.gz ADQIJUYJUMLUAW-YVSFHVDLSA-N 0 0 475.608 0.339 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C[C@H]1C#N ZINC001172978295 1068260177 /nfs/dbraw/zinc/26/01/77/1068260177.db2.gz KXIJAFGVEUSHTM-VJANTYMQSA-N 0 0 459.547 0.441 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C[C@H]1C#N ZINC001172978311 1068260443 /nfs/dbraw/zinc/26/04/43/1068260443.db2.gz KXIJAFGVEUSHTM-XWSJACJDSA-N 0 0 459.547 0.441 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(=O)NCC(N)=O ZINC001172982834 1068261336 /nfs/dbraw/zinc/26/13/36/1068261336.db2.gz AJRGZTXTPYIDCH-VJANTYMQSA-N 0 0 492.621 0.875 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(=O)NCC(N)=O ZINC001172982836 1068261209 /nfs/dbraw/zinc/26/12/09/1068261209.db2.gz AJRGZTXTPYIDCH-XWSJACJDSA-N 0 0 492.621 0.875 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@H](N(Cc2cc(=O)n3c(n2)CNCCC3)S(C)(=O)=O)C[C@H]1C#N ZINC001172984398 1068261263 /nfs/dbraw/zinc/26/12/63/1068261263.db2.gz MBXBLLSHBQQSFC-IRXDYDNUSA-N 0 0 480.591 0.790 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2cc(=O)n3c(n2)CNCCC3)S(C)(=O)=O)C[C@H]1C#N ZINC001172984410 1068261164 /nfs/dbraw/zinc/26/11/64/1068261164.db2.gz MBXBLLSHBQQSFC-SJORKVTESA-N 0 0 480.591 0.790 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1CC[C@@H](CC)C1)C(=O)OCC ZINC001173278622 1068267063 /nfs/dbraw/zinc/26/70/63/1068267063.db2.gz ZIXPCVSKBSLJJO-NCOADZHNSA-N 0 0 459.609 0.961 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1CC[C@H](CC)C1)C(=O)OCC ZINC001173278649 1068267432 /nfs/dbraw/zinc/26/74/32/1068267432.db2.gz ZIXPCVSKBSLJJO-QAETUUGQSA-N 0 0 459.609 0.961 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1CC[C@@H](CC)C1)C(=O)OCC ZINC001173278652 1068267114 /nfs/dbraw/zinc/26/71/14/1068267114.db2.gz ZIXPCVSKBSLJJO-QZWWFDLISA-N 0 0 459.609 0.961 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1CC[C@H](CC)C1)C(=O)OCC ZINC001173278654 1068267180 /nfs/dbraw/zinc/26/71/80/1068267180.db2.gz ZIXPCVSKBSLJJO-YVSFHVDLSA-N 0 0 459.609 0.961 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H](C)CSCC)C(=O)OCC ZINC001173300013 1068267253 /nfs/dbraw/zinc/26/72/53/1068267253.db2.gz XMEWKPKFUBQTJE-ILXRZTDVSA-N 0 0 465.638 0.523 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H](C)CSCC)C(=O)OCC ZINC001173300033 1068267146 /nfs/dbraw/zinc/26/71/46/1068267146.db2.gz XMEWKPKFUBQTJE-KKUMJFAQSA-N 0 0 465.638 0.523 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC1CCC(CC#N)CC1)C(=O)OCC ZINC001173333786 1068267950 /nfs/dbraw/zinc/26/79/50/1068267950.db2.gz QZOGVNZZBGMDEW-FOIPXRHGSA-N 0 0 484.619 0.854 20 30 JCEDRN COCC(=O)NCc1cc(=O)n2c(n1)CN(C1CCN(C(=O)c3ccc(C#N)cc3)CC1)CCC2 ZINC001173430568 1068270185 /nfs/dbraw/zinc/27/01/85/1068270185.db2.gz FBXDQELHEJDAAP-UHFFFAOYSA-N 0 0 478.553 0.888 20 30 JCEDRN CN(C)C(=O)COCc1nnc2n1CCN(C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001173432274 1068270323 /nfs/dbraw/zinc/27/03/23/1068270323.db2.gz WZBVMVXINXPEIM-UHFFFAOYSA-N 0 0 451.531 0.875 20 30 JCEDRN CS(=O)(=O)N(Cc1cc(=O)n2c(n1)CNCCC2)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173432797 1068270222 /nfs/dbraw/zinc/27/02/22/1068270222.db2.gz OFBOLICLHPBROR-UHFFFAOYSA-N 0 0 484.582 0.675 20 30 JCEDRN C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001173495717 1068271633 /nfs/dbraw/zinc/27/16/33/1068271633.db2.gz MSOKOULMQFIXTR-GNVZTASGSA-N 0 0 475.567 0.976 20 30 JCEDRN C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001173495721 1068271840 /nfs/dbraw/zinc/27/18/40/1068271840.db2.gz MSOKOULMQFIXTR-MOOKXKAQSA-N 0 0 475.567 0.976 20 30 JCEDRN C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001173495722 1068271767 /nfs/dbraw/zinc/27/17/67/1068271767.db2.gz MSOKOULMQFIXTR-PDPLOHQNSA-N 0 0 475.567 0.976 20 30 JCEDRN C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001173495724 1068271603 /nfs/dbraw/zinc/27/16/03/1068271603.db2.gz MSOKOULMQFIXTR-ZLFGVDQTSA-N 0 0 475.567 0.976 20 30 JCEDRN COC(=O)[C@@H]1C[C@H]([N@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CCN1C(=O)c1ccccc1 ZINC001173500245 1068272308 /nfs/dbraw/zinc/27/23/08/1068272308.db2.gz CHXPRCGEVYQCMY-IKGGRYGDSA-N 0 0 475.504 0.849 20 30 JCEDRN COC(=O)[C@@H]1C[C@H]([N@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CCN1C(=O)c1ccccc1 ZINC001173500246 1068272560 /nfs/dbraw/zinc/27/25/60/1068272560.db2.gz CHXPRCGEVYQCMY-IXDOHACOSA-N 0 0 475.504 0.849 20 30 JCEDRN COC(=O)[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CCN1C(=O)c1ccccc1 ZINC001173500247 1068272502 /nfs/dbraw/zinc/27/25/02/1068272502.db2.gz CHXPRCGEVYQCMY-ULQDDVLXSA-N 0 0 475.504 0.849 20 30 JCEDRN COC(=O)[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CCN1C(=O)c1ccccc1 ZINC001173500248 1068272419 /nfs/dbraw/zinc/27/24/19/1068272419.db2.gz CHXPRCGEVYQCMY-YESZJQIVSA-N 0 0 475.504 0.849 20 30 JCEDRN COC(=O)[C@@H]1C[C@@H](N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C[C@@H]1C(=O)OC ZINC001173575396 1068281267 /nfs/dbraw/zinc/28/12/67/1068281267.db2.gz KOCZEXYVSSXIMC-KTIHBUSBSA-N 0 0 471.510 0.733 20 30 JCEDRN COC(=O)[C@@H]1C[C@@H](N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C[C@@H]1C(=O)OC ZINC001173575399 1068281387 /nfs/dbraw/zinc/28/13/87/1068281387.db2.gz KOCZEXYVSSXIMC-MTXNFPGFSA-N 0 0 471.510 0.733 20 30 JCEDRN COC(=O)[C@@H]1C[C@H](N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C[C@@H]1C(=O)OC ZINC001173575400 1068281483 /nfs/dbraw/zinc/28/14/83/1068281483.db2.gz KOCZEXYVSSXIMC-VKDGWMQASA-N 0 0 471.510 0.733 20 30 JCEDRN COC(=O)[C@@H]1C[C@H](N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C[C@@H]1C(=O)OC ZINC001173575402 1068281305 /nfs/dbraw/zinc/28/13/05/1068281305.db2.gz KOCZEXYVSSXIMC-ZBNTXBBCSA-N 0 0 471.510 0.733 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC1CCC(C)(C#N)CC1)C(=O)OCC ZINC001173593125 1068284714 /nfs/dbraw/zinc/28/47/14/1068284714.db2.gz IQGGGHYSSUOQSP-JBLFJGJOSA-N 0 0 484.619 0.854 20 30 JCEDRN C=C[C@@H]1C[C@]1([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001173694400 1068287811 /nfs/dbraw/zinc/28/78/11/1068287811.db2.gz OWSJJYXECBVJDS-JLTOFOAXSA-N 0 0 498.583 0.891 20 30 JCEDRN [NH3+]CCC[N@H+](C[C@H](S)OP(=O)([O-])[O-])C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695621 1068287720 /nfs/dbraw/zinc/28/77/20/1068287720.db2.gz NXUAOGDMEPOEAU-INIZCTEOSA-N 0 0 498.520 0.764 20 30 JCEDRN [NH3+]CCC[N@H+](C[C@@H](S)OP(=O)([O-])[O-])C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695622 1068288465 /nfs/dbraw/zinc/28/84/65/1068288465.db2.gz NXUAOGDMEPOEAU-MRXNPFEDSA-N 0 0 498.520 0.764 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](O)C1 ZINC001174687590 1068302655 /nfs/dbraw/zinc/30/26/55/1068302655.db2.gz MXIWLSBKKZDAJX-GJZGRUSLSA-N 0 0 452.533 0.602 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](O)C1 ZINC001174687598 1068303302 /nfs/dbraw/zinc/30/33/02/1068303302.db2.gz MXIWLSBKKZDAJX-LSDHHAIUSA-N 0 0 452.533 0.602 20 30 JCEDRN CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(c5ccc(C#N)cc5)C(=O)CO4)C3)cc2C1 ZINC001175064826 1068308617 /nfs/dbraw/zinc/30/86/17/1068308617.db2.gz OYAOWAVNGPAUKP-DEOSSOPVSA-N 0 0 464.526 0.865 20 30 JCEDRN CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(c5ccc(C#N)cc5)C(=O)CO4)C3)cc2C1 ZINC001175064827 1068308670 /nfs/dbraw/zinc/30/86/70/1068308670.db2.gz OYAOWAVNGPAUKP-XMMPIXPASA-N 0 0 464.526 0.865 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1OCCO1)C(=O)OC ZINC001175169956 1068312388 /nfs/dbraw/zinc/31/23/88/1068312388.db2.gz QYCFBARPGIPXGV-GJZGRUSLSA-N 0 0 453.517 0.705 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CC1OCCO1)C(=O)OC ZINC001175169957 1068312123 /nfs/dbraw/zinc/31/21/23/1068312123.db2.gz QYCFBARPGIPXGV-LSDHHAIUSA-N 0 0 453.517 0.705 20 30 JCEDRN CNC(=O)NC[C@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001175292003 1068313785 /nfs/dbraw/zinc/31/37/85/1068313785.db2.gz ODKSDNVXDBBYPD-HNNXBMFYSA-N 0 0 451.549 0.442 20 30 JCEDRN CNC(=O)NC[C@@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001175292004 1068313681 /nfs/dbraw/zinc/31/36/81/1068313681.db2.gz ODKSDNVXDBBYPD-OAHLLOKOSA-N 0 0 451.549 0.442 20 30 JCEDRN N#CCCN1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001175460650 1068317505 /nfs/dbraw/zinc/31/75/05/1068317505.db2.gz AVQANNBCTKKLON-UHFFFAOYSA-N 0 0 455.968 0.831 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)n2nnc(-c3ccc(Cl)cc3)n2)CC1 ZINC001175514619 1068318092 /nfs/dbraw/zinc/31/80/92/1068318092.db2.gz BHKXRAXHFULBAD-INIZCTEOSA-N 0 0 451.940 0.556 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)n2nnc(-c3ccc(Cl)cc3)n2)CC1 ZINC001175514620 1068318271 /nfs/dbraw/zinc/31/82/71/1068318271.db2.gz BHKXRAXHFULBAD-MRXNPFEDSA-N 0 0 451.940 0.556 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)CC1 ZINC001175514636 1068318039 /nfs/dbraw/zinc/31/80/39/1068318039.db2.gz BTJJSNWKJJJQGI-UHFFFAOYSA-N 0 0 453.586 0.693 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001175514758 1068318259 /nfs/dbraw/zinc/31/82/59/1068318259.db2.gz HSBSYKVEALXWRK-MRXNPFEDSA-N 0 0 458.581 0.750 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001175514906 1068318005 /nfs/dbraw/zinc/31/80/05/1068318005.db2.gz KKCOYGIMTKESBL-GOSISDBHSA-N 0 0 454.961 0.881 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001175514907 1068318109 /nfs/dbraw/zinc/31/81/09/1068318109.db2.gz KKCOYGIMTKESBL-SFHVURJKSA-N 0 0 454.961 0.881 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC001175514933 1068318149 /nfs/dbraw/zinc/31/81/49/1068318149.db2.gz KTDFVBZHPDHXHK-UHFFFAOYSA-N 0 0 453.318 0.928 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)CC1 ZINC001175515287 1068318054 /nfs/dbraw/zinc/31/80/54/1068318054.db2.gz VRLFFIHSMRNPOL-UHFFFAOYSA-N 0 0 456.590 0.297 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC001175515377 1068318238 /nfs/dbraw/zinc/31/82/38/1068318238.db2.gz ZIWOMUIXSJNEQN-UHFFFAOYSA-N 0 0 450.542 0.259 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)OCC2=O)cc1 ZINC001175531979 1068318518 /nfs/dbraw/zinc/31/85/18/1068318518.db2.gz QQSCHFLCPMNPAK-HSZRJFAPSA-N 0 0 451.483 0.667 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)OCC2=O)cc1 ZINC001175531980 1068318762 /nfs/dbraw/zinc/31/87/62/1068318762.db2.gz QQSCHFLCPMNPAK-QHCPKHFHSA-N 0 0 451.483 0.667 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)Cc3cc[nH]n3)cn2n1 ZINC001175730941 1068321856 /nfs/dbraw/zinc/32/18/56/1068321856.db2.gz VQODHIHSIQUUBL-IBGZPJMESA-N 0 0 491.556 0.855 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)Cc3cc[nH]n3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001175762559 1068321836 /nfs/dbraw/zinc/32/18/36/1068321836.db2.gz VWLPLFDUNONXJY-LJQANCHMSA-N 0 0 465.489 0.657 20 30 JCEDRN COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001175891135 1068323350 /nfs/dbraw/zinc/32/33/50/1068323350.db2.gz CHNALPVFCVLJBD-UHFFFAOYSA-N 0 0 453.517 0.849 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(c2ncc(-n3c(N)c(C#N)c(N)nc3=NC3CC3)cn2)CC1 ZINC001175947790 1068326866 /nfs/dbraw/zinc/32/68/66/1068326866.db2.gz IYMDEJAJKZQZRW-UHFFFAOYSA-N 0 0 452.523 0.819 20 30 JCEDRN C#Cc1cccc(Nc2nc(I)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001175975549 1068326545 /nfs/dbraw/zinc/32/65/45/1068326545.db2.gz PRPASVKYMGQQMU-LSCFUAHRSA-N 0 0 493.261 0.767 20 30 JCEDRN CC(C)(C)COS(=O)(=O)c1ccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001176263883 1068331274 /nfs/dbraw/zinc/33/12/74/1068331274.db2.gz WFYNWZJNKHVCCK-NVQRDWNXSA-N 0 0 484.531 0.089 20 30 JCEDRN CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001176357609 1068336197 /nfs/dbraw/zinc/33/61/97/1068336197.db2.gz SPVZYTIVRUCYGC-NFBKMPQASA-N 0 0 451.531 0.869 20 30 JCEDRN CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001176357610 1068335967 /nfs/dbraw/zinc/33/59/67/1068335967.db2.gz SPVZYTIVRUCYGC-OFNKIYASSA-N 0 0 451.531 0.869 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@H]2C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001176414253 1068342321 /nfs/dbraw/zinc/34/23/21/1068342321.db2.gz BIDGCJNFMCOYKJ-INIZCTEOSA-N 0 0 494.560 0.582 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@@H]2C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001176414254 1068342450 /nfs/dbraw/zinc/34/24/50/1068342450.db2.gz BIDGCJNFMCOYKJ-MRXNPFEDSA-N 0 0 494.560 0.582 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176417004 1068344973 /nfs/dbraw/zinc/34/49/73/1068344973.db2.gz XIPBUGVGLNWQQK-HNNXBMFYSA-N 0 0 473.534 0.877 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176417009 1068344882 /nfs/dbraw/zinc/34/48/82/1068344882.db2.gz XIPBUGVGLNWQQK-OAHLLOKOSA-N 0 0 473.534 0.877 20 30 JCEDRN N#C[C@@]12CN(CCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001176421020 1068345456 /nfs/dbraw/zinc/34/54/56/1068345456.db2.gz AOGZHGOKFRNJEW-JXFKEZNVSA-N 0 0 466.585 0.670 20 30 JCEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCn3ncc(I)c3C2)CC1 ZINC001176423307 1068345606 /nfs/dbraw/zinc/34/56/06/1068345606.db2.gz VJWVYFSKPXYUSK-HNNXBMFYSA-N 0 0 456.332 0.996 20 30 JCEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCn3ncc(I)c3C2)CC1 ZINC001176423309 1068345420 /nfs/dbraw/zinc/34/54/20/1068345420.db2.gz VJWVYFSKPXYUSK-OAHLLOKOSA-N 0 0 456.332 0.996 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1CC2=C([O-])NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001176442278 1068338669 /nfs/dbraw/zinc/33/86/69/1068338669.db2.gz FGCKSDJRCIYSLB-HNNXBMFYSA-N 0 0 468.518 0.603 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1CC2=C([O-])NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001176442280 1068339005 /nfs/dbraw/zinc/33/90/05/1068339005.db2.gz FGCKSDJRCIYSLB-OAHLLOKOSA-N 0 0 468.518 0.603 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2)C(=O)NO ZINC001176442579 1068338800 /nfs/dbraw/zinc/33/88/00/1068338800.db2.gz IDVYLHVETMJYHP-KBPBESRZSA-N 0 0 451.528 0.608 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2)C(=O)NO ZINC001176442580 1068338782 /nfs/dbraw/zinc/33/87/82/1068338782.db2.gz IDVYLHVETMJYHP-KGLIPLIRSA-N 0 0 451.528 0.608 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)NO)nc1 ZINC001176444504 1068340644 /nfs/dbraw/zinc/34/06/44/1068340644.db2.gz SDHXQETYMROUPN-AWEZNQCLSA-N 0 0 472.506 0.927 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)NO)nc1 ZINC001176444508 1068340510 /nfs/dbraw/zinc/34/05/10/1068340510.db2.gz SDHXQETYMROUPN-CQSZACIVSA-N 0 0 472.506 0.927 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176445523 1068345311 /nfs/dbraw/zinc/34/53/11/1068345311.db2.gz ZWKMUTYAMAHSHD-CYBMUJFWSA-N 0 0 471.478 0.893 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176445531 1068345603 /nfs/dbraw/zinc/34/56/03/1068345603.db2.gz ZWKMUTYAMAHSHD-ZDUSSCGKSA-N 0 0 471.478 0.893 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nncn1C[C@H]2C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001176446625 1068345574 /nfs/dbraw/zinc/34/55/74/1068345574.db2.gz RBUBFYFXWQHKIJ-HNNXBMFYSA-N 0 0 494.560 0.813 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nncn1C[C@@H]2C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001176446626 1068345405 /nfs/dbraw/zinc/34/54/05/1068345405.db2.gz RBUBFYFXWQHKIJ-OAHLLOKOSA-N 0 0 494.560 0.813 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nncn1C[C@@H]2C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001176446998 1068345819 /nfs/dbraw/zinc/34/58/19/1068345819.db2.gz VEYQVRJUKSFYBJ-GFCCVEGCSA-N 0 0 464.490 0.931 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nncn1C[C@H]2C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001176446999 1068346185 /nfs/dbraw/zinc/34/61/85/1068346185.db2.gz VEYQVRJUKSFYBJ-LBPRGKRZSA-N 0 0 464.490 0.931 20 30 JCEDRN CCn1nnc2c1[C@H](C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)CN(C(=O)OC(C)(C)C)C2 ZINC001176509740 1068350135 /nfs/dbraw/zinc/35/01/35/1068350135.db2.gz MRQVRDADZWMROL-CYBMUJFWSA-N 0 0 468.522 0.768 20 30 JCEDRN CCn1nnc2c1[C@@H](C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)CN(C(=O)OC(C)(C)C)C2 ZINC001176509744 1068350127 /nfs/dbraw/zinc/35/01/27/1068350127.db2.gz MRQVRDADZWMROL-ZDUSSCGKSA-N 0 0 468.522 0.768 20 30 JCEDRN C=CCn1cc(Nc2ncnc3c2c(I)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1 ZINC001176543936 1068349710 /nfs/dbraw/zinc/34/97/10/1068349710.db2.gz DUXBRNFQYURRSG-LSCFUAHRSA-N 0 0 498.281 0.774 20 30 JCEDRN CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)C1 ZINC001176560702 1068353129 /nfs/dbraw/zinc/35/31/29/1068353129.db2.gz APNJWMIXEYJGCK-GFCCVEGCSA-N 0 0 453.507 0.886 20 30 JCEDRN CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)C1 ZINC001176560712 1068353155 /nfs/dbraw/zinc/35/31/55/1068353155.db2.gz APNJWMIXEYJGCK-LBPRGKRZSA-N 0 0 453.507 0.886 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@@](C)(C#N)C3)CC2)cc1OC ZINC001176578460 1068354633 /nfs/dbraw/zinc/35/46/33/1068354633.db2.gz PAFMZQLMIXULDS-FQEVSTJZSA-N 0 0 452.533 0.151 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@](C)(C#N)C3)CC2)cc1OC ZINC001176578487 1068354624 /nfs/dbraw/zinc/35/46/24/1068354624.db2.gz PAFMZQLMIXULDS-HXUWFJFHSA-N 0 0 452.533 0.151 20 30 JCEDRN O=C(CN1CCC2(CC1)CC(=O)C=CO2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001176610089 1068354581 /nfs/dbraw/zinc/35/45/81/1068354581.db2.gz LWYBEDOBZFITFL-UHFFFAOYSA-N 0 0 451.520 0.996 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)C3)OCC2=O)cc1 ZINC001176618933 1068355127 /nfs/dbraw/zinc/35/51/27/1068355127.db2.gz AJBKWWRZNNDGNU-FYSMJZIKSA-N 0 0 479.493 0.525 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)C3)OCC2=O)cc1 ZINC001176618938 1068355110 /nfs/dbraw/zinc/35/51/10/1068355110.db2.gz AJBKWWRZNNDGNU-GYCJOSAFSA-N 0 0 479.493 0.525 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)C3)OCC2=O)cc1 ZINC001176618939 1068355021 /nfs/dbraw/zinc/35/50/21/1068355021.db2.gz AJBKWWRZNNDGNU-UPCLLVRISA-N 0 0 479.493 0.525 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)C3)OCC2=O)cc1 ZINC001176618942 1068354927 /nfs/dbraw/zinc/35/49/27/1068354927.db2.gz AJBKWWRZNNDGNU-VOIUYBSRSA-N 0 0 479.493 0.525 20 30 JCEDRN N#C[C@]12CN(CC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001176708757 1068362598 /nfs/dbraw/zinc/36/25/98/1068362598.db2.gz CMEKUNDKEUZLGQ-WMZHIEFXSA-N 0 0 458.584 0.597 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 ZINC001176709509 1068362541 /nfs/dbraw/zinc/36/25/41/1068362541.db2.gz IKQGSCKDOAVNDI-BBTUJRGHSA-N 0 0 480.612 0.087 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 ZINC001176709510 1068362400 /nfs/dbraw/zinc/36/24/00/1068362400.db2.gz IKQGSCKDOAVNDI-LVCYWYKZSA-N 0 0 480.612 0.087 20 30 JCEDRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)nc2c1 ZINC001176709602 1068362359 /nfs/dbraw/zinc/36/23/59/1068362359.db2.gz KAQUIAJJOUNWJO-IFXJQAMLSA-N 0 0 451.574 0.964 20 30 JCEDRN Cn1cnc2c1[C@H](C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)N(C(=O)c1ccccc1)CC2 ZINC001176747308 1068361328 /nfs/dbraw/zinc/36/13/28/1068361328.db2.gz JRLUTFGHQBATBN-GOSISDBHSA-N 0 0 457.498 0.796 20 30 JCEDRN Cn1cnc2c1[C@@H](C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)N(C(=O)c1ccccc1)CC2 ZINC001176747309 1068361038 /nfs/dbraw/zinc/36/10/38/1068361038.db2.gz JRLUTFGHQBATBN-SFHVURJKSA-N 0 0 457.498 0.796 20 30 JCEDRN CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1c(C#N)cnc3c(C#N)cnn31)Cn1ccnc12 ZINC001176764263 1068369417 /nfs/dbraw/zinc/36/94/17/1068369417.db2.gz BCOSQKHYYXQZOF-INIZCTEOSA-N 0 0 474.485 0.679 20 30 JCEDRN CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1c(C#N)cnc3c(C#N)cnn31)Cn1ccnc12 ZINC001176764264 1068369087 /nfs/dbraw/zinc/36/90/87/1068369087.db2.gz BCOSQKHYYXQZOF-MRXNPFEDSA-N 0 0 474.485 0.679 20 30 JCEDRN CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1nc(C#N)c(C#N)nc1N)Cn1ccnc12 ZINC001176766536 1068370744 /nfs/dbraw/zinc/37/07/44/1068370744.db2.gz VOIVJSNPAOBXPL-AWEZNQCLSA-N 0 0 450.463 0.009 20 30 JCEDRN CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1nc(C#N)c(C#N)nc1N)Cn1ccnc12 ZINC001176766537 1068370812 /nfs/dbraw/zinc/37/08/12/1068370812.db2.gz VOIVJSNPAOBXPL-CQSZACIVSA-N 0 0 450.463 0.009 20 30 JCEDRN CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCN(c3nccnc3C#N)CC1)Cn1ccnc12 ZINC001176769874 1068372142 /nfs/dbraw/zinc/37/21/42/1068372142.db2.gz DYNCQLKNIODRQD-GOSISDBHSA-N 0 0 479.545 0.265 20 30 JCEDRN CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCN(c3nccnc3C#N)CC1)Cn1ccnc12 ZINC001176769875 1068371900 /nfs/dbraw/zinc/37/19/00/1068371900.db2.gz DYNCQLKNIODRQD-SFHVURJKSA-N 0 0 479.545 0.265 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176771472 1068375540 /nfs/dbraw/zinc/37/55/40/1068375540.db2.gz HONKVILWOYNAKL-AWEZNQCLSA-N 0 0 456.463 0.576 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176771475 1068375638 /nfs/dbraw/zinc/37/56/38/1068375638.db2.gz HONKVILWOYNAKL-CQSZACIVSA-N 0 0 456.463 0.576 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)NO)nc1 ZINC001176771858 1068375999 /nfs/dbraw/zinc/37/59/99/1068375999.db2.gz KUKRXRZCMROMHR-INIZCTEOSA-N 0 0 457.491 0.610 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)NO)nc1 ZINC001176771859 1068375919 /nfs/dbraw/zinc/37/59/19/1068375919.db2.gz KUKRXRZCMROMHR-MRXNPFEDSA-N 0 0 457.491 0.610 20 30 JCEDRN CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)N=C(N)c1ccc(C(N)=O)cc1)Cn1ccnc12 ZINC001176772570 1068376936 /nfs/dbraw/zinc/37/69/36/1068376936.db2.gz QQGJUHMMCTYTRX-INIZCTEOSA-N 0 0 453.503 0.286 20 30 JCEDRN CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N=C(N)c1ccc(C(N)=O)cc1)Cn1ccnc12 ZINC001176772571 1068377052 /nfs/dbraw/zinc/37/70/52/1068377052.db2.gz QQGJUHMMCTYTRX-MRXNPFEDSA-N 0 0 453.503 0.286 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)CC1 ZINC001176774699 1068363117 /nfs/dbraw/zinc/36/31/17/1068363117.db2.gz RZWGQSUPDSSKBE-INIZCTEOSA-N 0 0 458.519 0.560 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)CC1 ZINC001176774700 1068363224 /nfs/dbraw/zinc/36/32/24/1068363224.db2.gz RZWGQSUPDSSKBE-MRXNPFEDSA-N 0 0 458.519 0.560 20 30 JCEDRN CN1CCn2c(CCNC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)nnc2C1=O ZINC001176817121 1068379305 /nfs/dbraw/zinc/37/93/05/1068379305.db2.gz YAIVCTZCYKJGTR-HEOKHYPTSA-N 0 0 457.535 0.809 20 30 JCEDRN CN1CCn2c(CCNC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)nnc2C1=O ZINC001176817122 1068379197 /nfs/dbraw/zinc/37/91/97/1068379197.db2.gz YAIVCTZCYKJGTR-HVPFBLEYSA-N 0 0 457.535 0.809 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)Cc3cnc[nH]3)cn2n1 ZINC001176830755 1068380266 /nfs/dbraw/zinc/38/02/66/1068380266.db2.gz FGVAWKITMJWIHH-IBGZPJMESA-N 0 0 491.556 0.855 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)Cc3c[nH]cn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001176836660 1068380969 /nfs/dbraw/zinc/38/09/69/1068380969.db2.gz NNFUULHCBKZHQU-GOSISDBHSA-N 0 0 465.489 0.657 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cc4ccc(-n5cnnn5)cc4)C3)OCC2=O)cc1 ZINC001176862365 1068382477 /nfs/dbraw/zinc/38/24/77/1068382477.db2.gz FKXFILYUJITPSM-DEOSSOPVSA-N 0 0 473.493 0.737 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cc4ccc(-n5cnnn5)cc4)C3)OCC2=O)cc1 ZINC001176862366 1068382180 /nfs/dbraw/zinc/38/21/80/1068382180.db2.gz FKXFILYUJITPSM-XMMPIXPASA-N 0 0 473.493 0.737 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)CCn3ccnc3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001176883906 1068383696 /nfs/dbraw/zinc/38/36/96/1068383696.db2.gz QASDAGZOADMOAK-HXUWFJFHSA-N 0 0 479.516 0.978 20 30 JCEDRN Cc1nc(C)n(CC(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)n1 ZINC001176903897 1068385569 /nfs/dbraw/zinc/38/55/69/1068385569.db2.gz GGESRHNCQFRSNE-ROUUACIJSA-N 0 0 461.542 0.977 20 30 JCEDRN Cc1nc(C)n(CC(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)n1 ZINC001176905775 1068385529 /nfs/dbraw/zinc/38/55/29/1068385529.db2.gz VVZCHEAPIDXEDR-HXUWFJFHSA-N 0 0 494.531 0.600 20 30 JCEDRN CS(=O)(=O)c1ccc(-n2ncc(C#N)c2NC(=O)CN2CCN(c3ncccn3)CC2)cc1 ZINC001176975207 1068387406 /nfs/dbraw/zinc/38/74/06/1068387406.db2.gz JVGFVUAAYYAJCO-UHFFFAOYSA-N 0 0 466.527 0.698 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CN4CCN(c5ncccn5)CC4)C3)OCC2=O)cc1 ZINC001176975605 1068387489 /nfs/dbraw/zinc/38/74/89/1068387489.db2.gz RRVQUKWHNRPYGK-RUZDIDTESA-N 0 0 491.552 0.131 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CN4CCN(c5ncccn5)CC4)C3)OCC2=O)cc1 ZINC001176975608 1068387422 /nfs/dbraw/zinc/38/74/22/1068387422.db2.gz RRVQUKWHNRPYGK-VWLOTQADSA-N 0 0 491.552 0.131 20 30 JCEDRN Cc1ccnn1CC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001177053419 1068395782 /nfs/dbraw/zinc/39/57/82/1068395782.db2.gz DHLUSILKMQUWMM-HXUWFJFHSA-N 0 0 479.516 0.896 20 30 JCEDRN Cc1ccn(CC(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)n1 ZINC001177064248 1068396747 /nfs/dbraw/zinc/39/67/47/1068396747.db2.gz DQRBZLXXRUDWJB-HXUWFJFHSA-N 0 0 479.516 0.896 20 30 JCEDRN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1OC ZINC001177113591 1068400834 /nfs/dbraw/zinc/40/08/34/1068400834.db2.gz CFAHYGRYOCGWQR-UHFFFAOYSA-N 0 0 459.528 0.988 20 30 JCEDRN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC001177113623 1068400956 /nfs/dbraw/zinc/40/09/56/1068400956.db2.gz CMDOKBZRKKIZGO-UHFFFAOYSA-N 0 0 456.528 0.929 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)cn1 ZINC001177113939 1068400853 /nfs/dbraw/zinc/40/08/53/1068400853.db2.gz FKALVHFQLIRSJE-UHFFFAOYSA-N 0 0 456.528 0.400 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001177180441 1068403915 /nfs/dbraw/zinc/40/39/15/1068403915.db2.gz VDVIVMAUXSETPS-HOCLYGCPSA-N 0 0 456.590 0.682 20 30 JCEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001177180442 1068403854 /nfs/dbraw/zinc/40/38/54/1068403854.db2.gz VDVIVMAUXSETPS-ZBFHGGJFSA-N 0 0 456.590 0.682 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)Cc3cncnc3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001177224782 1068409441 /nfs/dbraw/zinc/40/94/41/1068409441.db2.gz JJNQPGQVSZYSJM-HXUWFJFHSA-N 0 0 477.500 0.724 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NCc1cccc(OCCN2CCOCC2)c1)c1cc[nH]n1 ZINC001177254221 1068410236 /nfs/dbraw/zinc/41/02/36/1068410236.db2.gz DKLKBYYYQYMPFG-QLYXXIJNSA-N 0 0 459.503 0.721 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@H](CO)[C@H](O)c1ccc(Br)cc1)c1cc[nH]n1 ZINC001177254448 1068410105 /nfs/dbraw/zinc/41/01/05/1068410105.db2.gz OJTHEEDFGVULSU-DJIHTNRUSA-N 0 0 469.292 0.667 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H](CO)[C@@H](O)c1ccc(Br)cc1)c1cc[nH]n1 ZINC001177254449 1068410331 /nfs/dbraw/zinc/41/03/31/1068410331.db2.gz OJTHEEDFGVULSU-QBEHFZKZSA-N 0 0 469.292 0.667 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H](CO)[C@H](O)c1ccc(Br)cc1)c1cc[nH]n1 ZINC001177254450 1068410222 /nfs/dbraw/zinc/41/02/22/1068410222.db2.gz OJTHEEDFGVULSU-RPEHQVHISA-N 0 0 469.292 0.667 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@H](CO)[C@@H](O)c1ccc(Br)cc1)c1cc[nH]n1 ZINC001177254451 1068410301 /nfs/dbraw/zinc/41/03/01/1068410301.db2.gz OJTHEEDFGVULSU-VHWIGMFKSA-N 0 0 469.292 0.667 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)Nc1nc(N)ccc1I)c1cc[nH]n1 ZINC001177254456 1068410352 /nfs/dbraw/zinc/41/03/52/1068410352.db2.gz OQDFBXRLXCXBCV-MTJSOVHGSA-N 0 0 458.216 0.914 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccn[nH]1 ZINC001177256908 1068410319 /nfs/dbraw/zinc/41/03/19/1068410319.db2.gz BNTVQJFQFHAUFL-RYPAHKROSA-N 0 0 453.496 0.788 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N(C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccn[nH]1 ZINC001177256909 1068410139 /nfs/dbraw/zinc/41/01/39/1068410139.db2.gz BNTVQJFQFHAUFL-UIFJYSFJSA-N 0 0 453.496 0.788 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)Nc1ncc(Br)nc1C(=O)OC)c1cc[nH]n1 ZINC001177257138 1068410312 /nfs/dbraw/zinc/41/03/12/1068410312.db2.gz IIUWKQRKQDXVBZ-JJFYIABZSA-N 0 0 455.225 0.671 20 30 JCEDRN CCOC(=O)CON=C(C(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1)c1ccn[nH]1 ZINC001177257315 1068410177 /nfs/dbraw/zinc/41/01/77/1068410177.db2.gz NATXOCABPYCCMB-NUMSDFGGSA-N 0 0 457.472 0.810 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)Nc1nc2cc(OC)c(OC)cc2cc1C(N)=O)c1cc[nH]n1 ZINC001177257340 1068410357 /nfs/dbraw/zinc/41/03/57/1068410357.db2.gz OJWAZHAKKZTIBJ-IMRQLAEWSA-N 0 0 470.442 0.997 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)Nc1c(C(=O)OC)nnn1Cc1ccccc1)c1cc[nH]n1 ZINC001177257679 1068410341 /nfs/dbraw/zinc/41/03/41/1068410341.db2.gz VDQRZYHNQYZXLY-XYGWBWBKSA-N 0 0 455.431 0.759 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)Nc1ncc(I)cc1C(N)=O)c1cc[nH]n1 ZINC001177257785 1068410261 /nfs/dbraw/zinc/41/02/61/1068410261.db2.gz ZIIXGICUWKJTHE-UUYOSTAYSA-N 0 0 486.226 0.431 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)Nc1ncc(N)cc1I)c1cc[nH]n1 ZINC001177257811 1068410200 /nfs/dbraw/zinc/41/02/00/1068410200.db2.gz ZUCMSVHYUKRXDH-MTJSOVHGSA-N 0 0 458.216 0.914 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1)c1ccn[nH]1 ZINC001177258180 1068410375 /nfs/dbraw/zinc/41/03/75/1068410375.db2.gz BCNYASPODPZAJM-MHHRKTEWSA-N 0 0 484.513 0.413 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1)c1cc[nH]n1 ZINC001177258194 1068410274 /nfs/dbraw/zinc/41/02/74/1068410274.db2.gz BNXLNPDPYQEWNF-OOAXWGSJSA-N 0 0 452.475 0.622 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1ccn[nH]1 ZINC001177258196 1068411173 /nfs/dbraw/zinc/41/11/73/1068411173.db2.gz BOOHOYHSQZRUDC-BKFIETJDSA-N 0 0 478.506 0.032 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1ccn[nH]1 ZINC001177258197 1068411016 /nfs/dbraw/zinc/41/10/16/1068411016.db2.gz BOOHOYHSQZRUDC-GPXZHFRMSA-N 0 0 478.506 0.032 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1)c1ccn[nH]1 ZINC001177258218 1068411088 /nfs/dbraw/zinc/41/10/88/1068411088.db2.gz BWCKJMBFTMZHIR-CZXZUBCPSA-N 0 0 484.513 0.268 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1)c1ccn[nH]1 ZINC001177258219 1068410964 /nfs/dbraw/zinc/41/09/64/1068410964.db2.gz BXFRBMHMLLDTBA-AEPTXUNZSA-N 0 0 473.486 0.820 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1)c1ccn[nH]1 ZINC001177258225 1068411157 /nfs/dbraw/zinc/41/11/57/1068411157.db2.gz BXFRBMHMLLDTBA-UTDQILSNSA-N 0 0 473.486 0.820 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1)c1ccn[nH]1 ZINC001177258238 1068411140 /nfs/dbraw/zinc/41/11/40/1068411140.db2.gz CALNEGHDBGHUDN-WMUMKMJBSA-N 0 0 483.525 0.527 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1)c1ccn[nH]1 ZINC001177258278 1068411185 /nfs/dbraw/zinc/41/11/85/1068411185.db2.gz CLGJMUPNXHZXGH-XHPQRKPJSA-N 0 0 467.442 0.914 20 30 JCEDRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)C(=NOCC(=O)OCC)c1ccn[nH]1)CC2 ZINC001177258288 1068411036 /nfs/dbraw/zinc/41/10/36/1068411036.db2.gz DAHDLOQSRGAJQU-PHFYZZCHSA-N 0 0 463.535 0.817 20 30 JCEDRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)C(=NOCC(=O)OCC)c1ccn[nH]1)CC2 ZINC001177258289 1068411223 /nfs/dbraw/zinc/41/12/23/1068411223.db2.gz DAHDLOQSRGAJQU-XZHXWOGCSA-N 0 0 463.535 0.817 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21)c1ccn[nH]1 ZINC001177258292 1068411237 /nfs/dbraw/zinc/41/12/37/1068411237.db2.gz DDBWCVQHNYUUEG-ICXFOTPJSA-N 0 0 476.515 0.338 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1)c1ccn[nH]1 ZINC001177258300 1068411104 /nfs/dbraw/zinc/41/11/04/1068411104.db2.gz DHSARNMWGCNESF-ZNLAKGDGSA-N 0 0 469.498 0.693 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1)c1ccn[nH]1 ZINC001177258310 1068404738 /nfs/dbraw/zinc/40/47/38/1068404738.db2.gz DTVNHKBPIJWMDD-VQTLFBIUSA-N 0 0 457.487 0.780 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21)c1ccn[nH]1 ZINC001177258311 1068404790 /nfs/dbraw/zinc/40/47/90/1068404790.db2.gz DXWVITNMOYNNOZ-QVZCMOSPSA-N 0 0 470.486 0.733 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1)c1ccn[nH]1 ZINC001177258329 1068405488 /nfs/dbraw/zinc/40/54/88/1068405488.db2.gz FMIJOGNCHMUQFE-JAEAHTMQSA-N 0 0 461.519 0.331 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1)c1ccn[nH]1 ZINC001177258337 1068405310 /nfs/dbraw/zinc/40/53/10/1068405310.db2.gz FOSGUHSRRCBNAT-QXOAZIRKSA-N 0 0 489.554 0.589 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21)c1ccn[nH]1 ZINC001177258339 1068405448 /nfs/dbraw/zinc/40/54/48/1068405448.db2.gz FQGDTQFKBNEGAP-WUHQJIDTSA-N 0 0 470.530 0.979 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1)c1ccn[nH]1 ZINC001177258355 1068405520 /nfs/dbraw/zinc/40/55/20/1068405520.db2.gz GLJRLFOQZICLQY-TUOCUCTGSA-N 0 0 484.513 0.382 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2)c1ccn[nH]1 ZINC001177258361 1068405416 /nfs/dbraw/zinc/40/54/16/1068405416.db2.gz GYTIDWYSXGGOPX-MHGHHJRTSA-N 0 0 450.496 0.115 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1)c1ccn[nH]1 ZINC001177258370 1068405328 /nfs/dbraw/zinc/40/53/28/1068405328.db2.gz HOOLHKBSCCZLDR-UNHUSXNVSA-N 0 0 461.519 0.616 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1)c1ccn[nH]1 ZINC001177258373 1068405505 /nfs/dbraw/zinc/40/55/05/1068405505.db2.gz HPBABAGBZQXYKH-NILAOQAMSA-N 0 0 476.534 0.059 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1)c1ccn[nH]1 ZINC001177258374 1068405383 /nfs/dbraw/zinc/40/53/83/1068405383.db2.gz HPBABAGBZQXYKH-VQGOXPAXSA-N 0 0 476.534 0.059 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1)c1ccn[nH]1 ZINC001177258386 1068405224 /nfs/dbraw/zinc/40/52/24/1068405224.db2.gz IAQDWHDIZLKLNB-RYSIFSLGSA-N 0 0 498.540 0.673 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21)c1ccn[nH]1 ZINC001177258387 1068405472 /nfs/dbraw/zinc/40/54/72/1068405472.db2.gz IAZLGMQGTBRWSQ-FZTOSIJGSA-N 0 0 477.518 0.091 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)COCCN2Cc1ccn(C)n1)c1ccn[nH]1 ZINC001177258388 1068405398 /nfs/dbraw/zinc/40/53/98/1068405398.db2.gz ICFPCSQAAUHTJS-QOMWVZHYSA-N 0 0 473.534 0.321 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1nccc(N(CC)CC)n1)c1ccn[nH]1 ZINC001177258393 1068405431 /nfs/dbraw/zinc/40/54/31/1068405431.db2.gz IKDBQMZUZVALSL-LAJDHHRJSA-N 0 0 459.507 0.930 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1nccc(N(CC)CC)n1)c1ccn[nH]1 ZINC001177258394 1068405291 /nfs/dbraw/zinc/40/52/91/1068405291.db2.gz IKDBQMZUZVALSL-NMLDKSGZSA-N 0 0 459.507 0.930 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1)c1ccn[nH]1 ZINC001177258412 1068405360 /nfs/dbraw/zinc/40/53/60/1068405360.db2.gz IUQHIYKSYNBQPZ-CILNGMPWSA-N 0 0 457.491 0.171 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1)c1ccn[nH]1 ZINC001177258413 1068405551 /nfs/dbraw/zinc/40/55/51/1068405551.db2.gz IUQHIYKSYNBQPZ-IRISZBEPSA-N 0 0 457.491 0.171 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1)c1ccn[nH]1 ZINC001177258415 1068405343 /nfs/dbraw/zinc/40/53/43/1068405343.db2.gz IVXJOTJVZVFKFN-JEQKOVBNSA-N 0 0 461.519 0.760 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1)c1ccn[nH]1 ZINC001177258416 1068405270 /nfs/dbraw/zinc/40/52/70/1068405270.db2.gz IVXJOTJVZVFKFN-LOLOQENUSA-N 0 0 461.519 0.760 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccn[nH]1 ZINC001177258417 1068405534 /nfs/dbraw/zinc/40/55/34/1068405534.db2.gz IXFNAZBTMKBZAE-NMWGTECJSA-N 0 0 463.516 0.535 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)NC)cc12)c1ccn[nH]1 ZINC001177258425 1068405252 /nfs/dbraw/zinc/40/52/52/1068405252.db2.gz IZEWKQVWVVZAMW-USHMODERSA-N 0 0 482.497 0.566 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1)c1ccn[nH]1 ZINC001177258444 1068405995 /nfs/dbraw/zinc/40/59/95/1068405995.db2.gz JQAWWLCARHNQBQ-ONOXUUEBSA-N 0 0 498.540 0.453 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CCOC[C@H]2NC(=O)C(C)C)CC1)c1ccn[nH]1 ZINC001177258458 1068406114 /nfs/dbraw/zinc/40/61/14/1068406114.db2.gz JYQILVQLBLSYGC-JYLKTMKDSA-N 0 0 463.535 0.863 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CCOC[C@@H]2NC(=O)C(C)C)CC1)c1ccn[nH]1 ZINC001177258459 1068406043 /nfs/dbraw/zinc/40/60/43/1068406043.db2.gz JYQILVQLBLSYGC-PTLZEJQDSA-N 0 0 463.535 0.863 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2C(C)=O)C1)c1ccn[nH]1 ZINC001177258486 1068406012 /nfs/dbraw/zinc/40/60/12/1068406012.db2.gz LBNMQEGITKJHQQ-VYQYWKAZSA-N 0 0 471.518 0.428 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2)c1ccn[nH]1 ZINC001177258602 1068406137 /nfs/dbraw/zinc/40/61/37/1068406137.db2.gz LVNCUTJOMDEFIB-MEFGMAGPSA-N 0 0 484.513 0.509 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2)c1ccn[nH]1 ZINC001177258608 1068406062 /nfs/dbraw/zinc/40/60/62/1068406062.db2.gz MBFPWSREHXFTNU-DIBXZPPDSA-N 0 0 485.501 0.017 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccn[nH]1 ZINC001177258613 1068406074 /nfs/dbraw/zinc/40/60/74/1068406074.db2.gz MDBMEDSEBGHIBH-GRNGZZLHSA-N 0 0 465.507 0.788 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)NCc2ccco2)C1)c1ccn[nH]1 ZINC001177258619 1068406150 /nfs/dbraw/zinc/40/61/50/1068406150.db2.gz MILHYWXSZFFUJI-WMXUESAMSA-N 0 0 487.513 0.857 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1)c1ccn[nH]1 ZINC001177258623 1068406087 /nfs/dbraw/zinc/40/60/87/1068406087.db2.gz MPJHUHJNLSNRDS-OOAXWGSJSA-N 0 0 482.501 0.201 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC)c1ccn[nH]1 ZINC001177258624 1068406028 /nfs/dbraw/zinc/40/60/28/1068406028.db2.gz MPMVHGMAFLAXFB-AAMGNDOASA-N 0 0 481.506 0.705 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)c1ccn[nH]1 ZINC001177258625 1068405980 /nfs/dbraw/zinc/40/59/80/1068405980.db2.gz MPMVHGMAFLAXFB-VYNQKWRLSA-N 0 0 481.506 0.705 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1)c1ccn[nH]1 ZINC001177258630 1068405959 /nfs/dbraw/zinc/40/59/59/1068405959.db2.gz NAEJBIBLPQBQFJ-HRFAIWCVSA-N 0 0 479.509 0.375 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12)c1ccn[nH]1 ZINC001177258632 1068406123 /nfs/dbraw/zinc/40/61/23/1068406123.db2.gz NAYSZWNLANNJPL-IVKFTBJLSA-N 0 0 471.518 0.558 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12)c1ccn[nH]1 ZINC001177258633 1068406807 /nfs/dbraw/zinc/40/68/07/1068406807.db2.gz NAYSZWNLANNJPL-SOSVVEOHSA-N 0 0 471.518 0.558 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1)c1ccn[nH]1 ZINC001177258637 1068406950 /nfs/dbraw/zinc/40/69/50/1068406950.db2.gz NCPSSLHKLQGSPH-FSPSLNBNSA-N 0 0 454.487 0.753 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1)c1ccn[nH]1 ZINC001177258638 1068406669 /nfs/dbraw/zinc/40/66/69/1068406669.db2.gz NCPSSLHKLQGSPH-GYRQNLHBSA-N 0 0 454.487 0.753 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)NC2CCC2)C1)c1ccn[nH]1 ZINC001177258649 1068406747 /nfs/dbraw/zinc/40/67/47/1068406747.db2.gz NSAOYFFTTOPSLH-DJEJLYADSA-N 0 0 461.519 0.616 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1)c1ccn[nH]1 ZINC001177258652 1068406690 /nfs/dbraw/zinc/40/66/90/1068406690.db2.gz NTLGTUHVSTTYET-AZJLSSPBSA-N 0 0 491.526 0.416 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1)c1ccn[nH]1 ZINC001177258653 1068406843 /nfs/dbraw/zinc/40/68/43/1068406843.db2.gz NTLGTUHVSTTYET-GHIWRQRASA-N 0 0 491.526 0.416 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2O[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]21)c1ccn[nH]1 ZINC001177258659 1068406731 /nfs/dbraw/zinc/40/67/31/1068406731.db2.gz OAUZFFCFKXHETL-LDJIOAALSA-N 0 0 484.513 0.506 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1)c1ccn[nH]1 ZINC001177258676 1068406709 /nfs/dbraw/zinc/40/67/09/1068406709.db2.gz OMNGOURPNLUSTP-JNBCISEPSA-N 0 0 454.487 0.644 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)c1ccn[nH]1 ZINC001177258677 1068406768 /nfs/dbraw/zinc/40/67/68/1068406768.db2.gz OMNGOURPNLUSTP-KPPFTCEJSA-N 0 0 454.487 0.644 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1)c1ccn[nH]1 ZINC001177258678 1068406896 /nfs/dbraw/zinc/40/68/96/1068406896.db2.gz OMNGOURPNLUSTP-KYZVMYRZSA-N 0 0 454.487 0.644 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)c1ccn[nH]1 ZINC001177258679 1068406865 /nfs/dbraw/zinc/40/68/65/1068406865.db2.gz OMNGOURPNLUSTP-PBWWAKAUSA-N 0 0 454.487 0.644 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1ccn[nH]1 ZINC001177258681 1068406790 /nfs/dbraw/zinc/40/67/90/1068406790.db2.gz OOJOSBOOEBTETC-IHCLVQKISA-N 0 0 471.470 0.204 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1ccn[nH]1 ZINC001177258682 1068406627 /nfs/dbraw/zinc/40/66/27/1068406627.db2.gz OOJOSBOOEBTETC-OFGUMHRGSA-N 0 0 471.470 0.204 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CCCCC2)C1)c1ccn[nH]1 ZINC001177258688 1068406827 /nfs/dbraw/zinc/40/68/27/1068406827.db2.gz OVRITZRXRBJRAY-XFWDROOUSA-N 0 0 475.546 0.960 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1)c1ccn[nH]1 ZINC001177258716 1068406647 /nfs/dbraw/zinc/40/66/47/1068406647.db2.gz POUFGRRTZZLWLA-BMAWUKLYSA-N 0 0 459.434 0.475 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21)c1ccn[nH]1 ZINC001177258783 1068407672 /nfs/dbraw/zinc/40/76/72/1068407672.db2.gz RJXHBXJKXBAOAR-SZDWNSSHSA-N 0 0 474.518 0.755 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C)c1ccn[nH]1 ZINC001177258807 1068407629 /nfs/dbraw/zinc/40/76/29/1068407629.db2.gz RUUUZUYMGKNOFB-FCQRAFMMSA-N 0 0 487.517 0.240 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C)c1ccn[nH]1 ZINC001177258810 1068407822 /nfs/dbraw/zinc/40/78/22/1068407822.db2.gz RUUUZUYMGKNOFB-XXQDRHBBSA-N 0 0 487.517 0.240 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1)c1ccn[nH]1 ZINC001177258812 1068407655 /nfs/dbraw/zinc/40/76/55/1068407655.db2.gz RVJWYEURHKUVMG-RJZAFKGISA-N 0 0 462.507 0.302 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@H](NC(=O)c2cccn2C)[C@H]2OCCC[C@H]21)c1ccn[nH]1 ZINC001177258826 1068407780 /nfs/dbraw/zinc/40/77/80/1068407780.db2.gz RXKLPDUMEUDCKQ-RMGDPBDTSA-N 0 0 472.502 0.220 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@H]3C)c2C1)c1ccn[nH]1 ZINC001177258853 1068407829 /nfs/dbraw/zinc/40/78/29/1068407829.db2.gz SJZVQQUXCDXULK-NEMHEONESA-N 0 0 457.491 0.626 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@@H]3C)c2C1)c1ccn[nH]1 ZINC001177258854 1068407773 /nfs/dbraw/zinc/40/77/73/1068407773.db2.gz SJZVQQUXCDXULK-XGXTUGQZSA-N 0 0 457.491 0.626 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccc(C(=O)OC)cc2)CC1)c1ccn[nH]1 ZINC001177258907 1068407608 /nfs/dbraw/zinc/40/76/08/1068407608.db2.gz STEMZFPMUDWWHE-QQTULTPQSA-N 0 0 457.487 0.825 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1)c1ccn[nH]1 ZINC001177258908 1068407567 /nfs/dbraw/zinc/40/75/67/1068407567.db2.gz SUOIYTMUHXSTAK-HFTWOUSFSA-N 0 0 482.541 0.687 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C)c1ccn[nH]1 ZINC001177258922 1068407748 /nfs/dbraw/zinc/40/77/48/1068407748.db2.gz UHGJFEOSHPBLIX-DXTZOESMSA-N 0 0 486.504 0.782 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C)c1ccn[nH]1 ZINC001177258923 1068407688 /nfs/dbraw/zinc/40/76/88/1068407688.db2.gz UHGJFEOSHPBLIX-MIXNUDJGSA-N 0 0 486.504 0.782 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O)c1ccn[nH]1 ZINC001177258936 1068407762 /nfs/dbraw/zinc/40/77/62/1068407762.db2.gz UOYKHRDFAJQEND-JYLKTMKDSA-N 0 0 459.507 0.733 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O)c1ccn[nH]1 ZINC001177258937 1068407728 /nfs/dbraw/zinc/40/77/28/1068407728.db2.gz UOYKHRDFAJQEND-PTLZEJQDSA-N 0 0 459.507 0.733 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2)c1ccn[nH]1 ZINC001177258964 1068407714 /nfs/dbraw/zinc/40/77/14/1068407714.db2.gz VQIZSAXSAIRYGL-MRFWYNLQSA-N 0 0 464.523 0.505 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1)c1ccn[nH]1 ZINC001177258965 1068407803 /nfs/dbraw/zinc/40/78/03/1068407803.db2.gz VQWQICYRCVZPHN-FIVJBCKJSA-N 0 0 473.486 0.676 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1)c1ccn[nH]1 ZINC001177258976 1068407590 /nfs/dbraw/zinc/40/75/90/1068407590.db2.gz WEPRBYDDONFQRX-HUBZVCNYSA-N 0 0 455.475 0.529 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1)c1ccn[nH]1 ZINC001177258977 1068407701 /nfs/dbraw/zinc/40/77/01/1068407701.db2.gz WEPRBYDDONFQRX-OIHNEICTSA-N 0 0 455.475 0.529 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccc(C)n1)c1ccn[nH]1 ZINC001177258998 1068408495 /nfs/dbraw/zinc/40/84/95/1068408495.db2.gz WYQUVWFVKOPMLK-VLPBKCRWSA-N 0 0 454.487 0.799 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2)c1ccn[nH]1 ZINC001177258999 1068408395 /nfs/dbraw/zinc/40/83/95/1068408395.db2.gz WZLXACHUVXJJNU-QOMWVZHYSA-N 0 0 456.503 0.987 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1)c1ccn[nH]1 ZINC001177259003 1068408420 /nfs/dbraw/zinc/40/84/20/1068408420.db2.gz XBNXDBDAZXXOIW-ZLJPTIPZSA-N 0 0 475.527 0.715 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1)c1ccn[nH]1 ZINC001177259014 1068408333 /nfs/dbraw/zinc/40/83/33/1068408333.db2.gz XUYHBIAJNAPXQV-JLJGYXLTSA-N 0 0 457.491 0.382 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1)c1ccn[nH]1 ZINC001177259015 1068408454 /nfs/dbraw/zinc/40/84/54/1068408454.db2.gz XUYHBIAJNAPXQV-UZPCJBMISA-N 0 0 457.491 0.382 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C)c1ccn[nH]1 ZINC001177259017 1068408537 /nfs/dbraw/zinc/40/85/37/1068408537.db2.gz XYBMWGMBQIQMRP-BWGTZLBTSA-N 0 0 460.491 0.410 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1)c1ccn[nH]1 ZINC001177259026 1068408435 /nfs/dbraw/zinc/40/84/35/1068408435.db2.gz YALATKJZZJOMGE-GYMPCLOZSA-N 0 0 497.512 0.542 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1)c1ccn[nH]1 ZINC001177259027 1068408355 /nfs/dbraw/zinc/40/83/55/1068408355.db2.gz YALATKJZZJOMGE-LWVMSNLTSA-N 0 0 497.512 0.542 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1)c1ccn[nH]1 ZINC001177259028 1068408559 /nfs/dbraw/zinc/40/85/59/1068408559.db2.gz YEBXNHZFNGHRPX-BRYXZADTSA-N 0 0 461.450 0.782 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1)c1ccn[nH]1 ZINC001177259059 1068408256 /nfs/dbraw/zinc/40/82/56/1068408256.db2.gz ZFOYOBLKTBPISH-MXVQPLLHSA-N 0 0 477.518 0.501 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1)c1ccn[nH]1 ZINC001177259063 1068408299 /nfs/dbraw/zinc/40/82/99/1068408299.db2.gz ZIGSGOLXXUUUEG-WLFNXHSVSA-N 0 0 484.513 0.525 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1)c1ccn[nH]1 ZINC001177259085 1068408548 /nfs/dbraw/zinc/40/85/48/1068408548.db2.gz ZZPKXLZLLVFCHL-DNSCBEKWSA-N 0 0 477.518 0.093 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1)c1ccn[nH]1 ZINC001177262291 1068411638 /nfs/dbraw/zinc/41/16/38/1068411638.db2.gz ACTXPWABKHMBMX-QYQHSDTDSA-N 0 0 470.530 0.197 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(COC2)C1)c1ccn[nH]1 ZINC001177262296 1068411670 /nfs/dbraw/zinc/41/16/70/1068411670.db2.gz ADRAFSUFPDOBHW-AEXIOTRNSA-N 0 0 451.480 0.446 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(COC2)C1)c1ccn[nH]1 ZINC001177262297 1068411630 /nfs/dbraw/zinc/41/16/30/1068411630.db2.gz ADRAFSUFPDOBHW-SZLGDNHQSA-N 0 0 451.480 0.446 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)c1ccn[nH]1 ZINC001177262336 1068411601 /nfs/dbraw/zinc/41/16/01/1068411601.db2.gz AVAWXUXEEDCWBY-PLRJNAJWSA-N 0 0 453.459 0.662 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1cc[nH]n1 ZINC001177262343 1068411900 /nfs/dbraw/zinc/41/19/00/1068411900.db2.gz AMJCKQKDRQBUTM-QYQHSDTDSA-N 0 0 485.545 0.542 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccn[nH]1 ZINC001177262384 1068411700 /nfs/dbraw/zinc/41/17/00/1068411700.db2.gz BPDNQOVHKNYJBV-DIBXZPPDSA-N 0 0 472.477 0.788 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1)c1cc[nH]n1 ZINC001177262433 1068411763 /nfs/dbraw/zinc/41/17/63/1068411763.db2.gz CHZKZRBLRHACAF-XYGWBWBKSA-N 0 0 481.506 0.752 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)N(C)c2ccccc2)CC1)c1ccn[nH]1 ZINC001177262565 1068411754 /nfs/dbraw/zinc/41/17/54/1068411754.db2.gz DSFUYZVNJUEJEH-DAFNUICNSA-N 0 0 456.503 0.501 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@]2(C1)NC(=O)N(Cc1ccc(OC)cc1)C2=O)c1ccn[nH]1 ZINC001177262578 1068411718 /nfs/dbraw/zinc/41/17/18/1068411718.db2.gz DZYTVRYMAPXRKU-HMFVREHESA-N 0 0 498.496 0.425 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@]2(C1)NC(=O)N(Cc1ccc(OC)cc1)C2=O)c1ccn[nH]1 ZINC001177262582 1068411837 /nfs/dbraw/zinc/41/18/37/1068411837.db2.gz DZYTVRYMAPXRKU-NRUOGFOHSA-N 0 0 498.496 0.425 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)c1ccn[nH]1 ZINC001177262586 1068411877 /nfs/dbraw/zinc/41/18/77/1068411877.db2.gz FCGIPJFLYPBFMU-KREHFFDOSA-N 0 0 453.455 0.337 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1)c1ccn[nH]1 ZINC001177262597 1068411783 /nfs/dbraw/zinc/41/17/83/1068411783.db2.gz FFDFSRRORFVBGU-GFMRDNFCSA-N 0 0 493.542 0.672 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C1)c1ccn[nH]1 ZINC001177262613 1068411802 /nfs/dbraw/zinc/41/18/02/1068411802.db2.gz FLDDIOGMPIMJIK-ORQKMDSUSA-N 0 0 467.479 0.362 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1)c1ccn[nH]1 ZINC001177262616 1068412745 /nfs/dbraw/zinc/41/27/45/1068412745.db2.gz FLDDIOGMPIMJIK-ZOLHPDHPSA-N 0 0 467.479 0.362 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NCc1nnc2n1CCCN(C(=O)OC(C)(C)C)C2)c1cc[nH]n1 ZINC001177262673 1068412778 /nfs/dbraw/zinc/41/27/78/1068412778.db2.gz GPTCKJZQACIAMR-IMRQLAEWSA-N 0 0 490.521 0.742 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1)c1cc[nH]n1 ZINC001177262893 1068412923 /nfs/dbraw/zinc/41/29/23/1068412923.db2.gz KKVZCRAGJDJRBC-CSOJKVKWSA-N 0 0 465.507 0.836 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1)c1cc[nH]n1 ZINC001177262894 1068412884 /nfs/dbraw/zinc/41/28/84/1068412884.db2.gz KKVZCRAGJDJRBC-DWKHHKFKSA-N 0 0 465.507 0.836 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1)c1ccn[nH]1 ZINC001177263085 1068412656 /nfs/dbraw/zinc/41/26/56/1068412656.db2.gz LQFSWKCHPPNPQK-XHPQRKPJSA-N 0 0 456.507 0.433 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 ZINC001177263125 1068412865 /nfs/dbraw/zinc/41/28/65/1068412865.db2.gz PHZKKDMSOMIADE-WNYXRDRRSA-N 0 0 467.479 0.361 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1)c1cc[nH]n1 ZINC001177263184 1068412615 /nfs/dbraw/zinc/41/26/15/1068412615.db2.gz QQBHVPFYNMLALT-ZQQKISRWSA-N 0 0 465.507 0.834 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(c2ncccc2C(=O)N(CC)CC)CC1)c1ccn[nH]1 ZINC001177263241 1068412637 /nfs/dbraw/zinc/41/26/37/1068412637.db2.gz OMTGXKRRRADIJL-OOAXWGSJSA-N 0 0 485.545 0.919 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2)c1cc[nH]n1 ZINC001177263299 1068412935 /nfs/dbraw/zinc/41/29/35/1068412935.db2.gz UMBNKBAFCKLBJX-JSBJQJCJSA-N 0 0 465.507 0.693 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1cc[nH]n1 ZINC001177263307 1068412716 /nfs/dbraw/zinc/41/27/16/1068412716.db2.gz UXYNGTGPQRXNSA-MVBMGTCHSA-N 0 0 451.480 0.444 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)Nc1cc(N2CCOCC2)ccc1C(=O)OC)c1cc[nH]n1 ZINC001177263311 1068412603 /nfs/dbraw/zinc/41/26/03/1068412603.db2.gz VCBFYOQZUCBXHQ-PLRJNAJWSA-N 0 0 459.459 0.955 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)OC(C)(C)C)c1cc[nH]n1 ZINC001177263428 1068412725 /nfs/dbraw/zinc/41/27/25/1068412725.db2.gz XBTGBTQHSDJCRI-QARCUERPSA-N 0 0 465.507 0.977 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)c1cc[nH]n1 ZINC001177263514 1068412817 /nfs/dbraw/zinc/41/28/17/1068412817.db2.gz ZAZZQGRCWXXSGG-BXLNZEQQSA-N 0 0 481.513 0.426 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)c1cc[nH]n1 ZINC001177263515 1068412761 /nfs/dbraw/zinc/41/27/61/1068412761.db2.gz ZAZZQGRCWXXSGG-LBYPAGOHSA-N 0 0 481.513 0.426 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)C[C@H]1CC(=O)OC)c1ccn[nH]1 ZINC001177263667 1068412902 /nfs/dbraw/zinc/41/29/02/1068412902.db2.gz ZSLOWKRGEFZUBE-PPFHAMGKSA-N 0 0 471.514 0.970 20 30 JCEDRN CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)C[C@@H]1CC(=O)OC)c1ccn[nH]1 ZINC001177263668 1068412827 /nfs/dbraw/zinc/41/28/27/1068412827.db2.gz ZSLOWKRGEFZUBE-ZZNYDNHMSA-N 0 0 471.514 0.970 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc[nH]n1 ZINC001177263708 1068412794 /nfs/dbraw/zinc/41/27/94/1068412794.db2.gz AXRULLFIVHIXKD-CLCOLTQESA-N 0 0 479.515 0.031 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc[nH]n1 ZINC001177263769 1068413709 /nfs/dbraw/zinc/41/37/09/1068413709.db2.gz DDYZHSNRMDOVQB-CLCOLTQESA-N 0 0 463.516 0.663 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1)c1cc[nH]n1 ZINC001177264007 1068413490 /nfs/dbraw/zinc/41/34/90/1068413490.db2.gz NEVDNKSXWLWHBK-ALJNWUEXSA-N 0 0 467.504 0.097 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC(C)=CC(=O)OCCCCOC(=O)C=C(C)N)c1cc[nH]n1 ZINC001177264034 1068413591 /nfs/dbraw/zinc/41/35/91/1068413591.db2.gz OSNCZXSXCOZCMX-JGPYTNPXSA-N 0 0 479.490 0.443 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)c1cc[nH]n1 ZINC001177264041 1068413608 /nfs/dbraw/zinc/41/36/08/1068413608.db2.gz PAACPFAVERXHNA-UQQQWYQISA-N 0 0 471.511 0.368 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1)c1cc[nH]n1 ZINC001177264271 1068413383 /nfs/dbraw/zinc/41/33/83/1068413383.db2.gz ZFQUIABZSDGNDO-MOHJPFBDSA-N 0 0 464.504 0.058 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OC(C)(C)C)c1cc[nH]n1 ZINC001177265932 1068413730 /nfs/dbraw/zinc/41/37/30/1068413730.db2.gz GCIFBIARBFEGSO-PUBOWXGGSA-N 0 0 467.523 0.682 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H](Cc1ccc(Br)cn1)C(=O)OC)c1cc[nH]n1 ZINC001177266178 1068413691 /nfs/dbraw/zinc/41/36/91/1068413691.db2.gz GJSJFYJPJJVTRJ-SZLGDNHQSA-N 0 0 482.291 0.752 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)OC)c1cc[nH]n1 ZINC001177266208 1068413633 /nfs/dbraw/zinc/41/36/33/1068413633.db2.gz HBUWBDXPPQQGOI-MOWIBAISSA-N 0 0 469.495 0.656 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@H]1CC(=O)N(Cc2ccc(OC)cc2OC)C1)c1cc[nH]n1 ZINC001177266310 1068413354 /nfs/dbraw/zinc/41/33/54/1068413354.db2.gz JZXZRPIOASLVAF-UZGAPFOWSA-N 0 0 473.486 0.628 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1)c1cc[nH]n1 ZINC001177266661 1068413449 /nfs/dbraw/zinc/41/34/49/1068413449.db2.gz NFZRKAGWPVIMKW-BWAHOGKJSA-N 0 0 463.516 0.395 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC1(C(=O)OCC)CN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 ZINC001177266683 1068413546 /nfs/dbraw/zinc/41/35/46/1068413546.db2.gz NPJTVBZLENTVBX-IWIPYMOSSA-N 0 0 467.479 0.362 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC)c1cc[nH]n1 ZINC001177266984 1068413620 /nfs/dbraw/zinc/41/36/20/1068413620.db2.gz QGFTXGITLXTALP-ZILZWRAMSA-N 0 0 481.550 0.928 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1)c1cc[nH]n1 ZINC001177266993 1068413336 /nfs/dbraw/zinc/41/33/36/1068413336.db2.gz QPBIMTBJZCVMQK-OOAXWGSJSA-N 0 0 452.471 0.986 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 ZINC001177267001 1068413528 /nfs/dbraw/zinc/41/35/28/1068413528.db2.gz QSZNPXCNSXQZCB-BJJKHMRRSA-N 0 0 453.496 0.836 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 ZINC001177267003 1068413304 /nfs/dbraw/zinc/41/33/04/1068413304.db2.gz QSZNPXCNSXQZCB-SKSQCXPCSA-N 0 0 453.496 0.836 20 30 JCEDRN CCOC(=O)CO/N=C(\C(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1)c1cc[nH]n1 ZINC001177267498 1068414420 /nfs/dbraw/zinc/41/44/20/1068414420.db2.gz ZLNWDOVXLFGEHJ-CLCOLTQESA-N 0 0 463.516 0.940 20 30 JCEDRN CO/N=C(\C(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1)c1ccco1 ZINC001177350780 1068418724 /nfs/dbraw/zinc/41/87/24/1068418724.db2.gz WTBYRLGOBCKVDH-JZJYNLBNSA-N 0 0 462.488 0.765 20 30 JCEDRN CO/N=C(\C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)c1ccco1 ZINC001177351086 1068418847 /nfs/dbraw/zinc/41/88/47/1068418847.db2.gz ODKZORWULDUHMI-DTCMSRFUSA-N 0 0 461.500 0.180 20 30 JCEDRN CO/N=C(\C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1)c1ccco1 ZINC001177351299 1068418943 /nfs/dbraw/zinc/41/89/43/1068418943.db2.gz WWPHBRAKONJOGE-CVVHJZTLSA-N 0 0 452.533 0.363 20 30 JCEDRN CO/N=C(\C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1)c1ccco1 ZINC001177351300 1068418936 /nfs/dbraw/zinc/41/89/36/1068418936.db2.gz WWPHBRAKONJOGE-JSZIULHXSA-N 0 0 452.533 0.363 20 30 JCEDRN CO/N=C(\C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)c1ccco1 ZINC001177355891 1068418921 /nfs/dbraw/zinc/41/89/21/1068418921.db2.gz XPSMWBLKZBLKHL-SNDKHSNHSA-N 0 0 469.564 0.000 20 30 JCEDRN Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)C(N)=O)c2)cc1 ZINC001177356506 1068419606 /nfs/dbraw/zinc/41/96/06/1068419606.db2.gz ZVCVYGBIODHGMG-IAGOWNOFSA-N 0 0 490.542 0.358 20 30 JCEDRN Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)C(N)=O)c2)cc1 ZINC001177356507 1068419631 /nfs/dbraw/zinc/41/96/31/1068419631.db2.gz ZVCVYGBIODHGMG-SJORKVTESA-N 0 0 490.542 0.358 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N[C@@H](C#N)C(N)=O ZINC001177357337 1068419462 /nfs/dbraw/zinc/41/94/62/1068419462.db2.gz HDUFQEIBVVOYIK-ROUUACIJSA-N 0 0 456.503 0.987 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N[C@H](C#N)C(N)=O ZINC001177357338 1068419506 /nfs/dbraw/zinc/41/95/06/1068419506.db2.gz HDUFQEIBVVOYIK-ZWKOTPCHSA-N 0 0 456.503 0.987 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)Cc3ncccn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001177379515 1068418098 /nfs/dbraw/zinc/41/80/98/1068418098.db2.gz DZFAVEZLKGSPDT-LJQANCHMSA-N 0 0 477.500 0.724 20 30 JCEDRN CN(C)S(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC001177381205 1068417999 /nfs/dbraw/zinc/41/79/99/1068417999.db2.gz KOJYLMCKIOMJCT-UHFFFAOYSA-N 0 0 450.542 0.544 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)Cc3ncc(F)cn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001177407091 1068422690 /nfs/dbraw/zinc/42/26/90/1068422690.db2.gz VJPNSXKXMDJDAH-LJQANCHMSA-N 0 0 495.490 0.863 20 30 JCEDRN Cn1cnnc1CCC(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001177426781 1068422681 /nfs/dbraw/zinc/42/26/81/1068422681.db2.gz JJBYLDDSYQQNRG-IRXDYDNUSA-N 0 0 461.542 0.830 20 30 JCEDRN Cn1cnnc1CCC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001177433032 1068424168 /nfs/dbraw/zinc/42/41/68/1068424168.db2.gz UIASNXHWOYZJFA-LJQANCHMSA-N 0 0 494.531 0.452 20 30 JCEDRN Cc1nnc(CC(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC001177441064 1068424908 /nfs/dbraw/zinc/42/49/08/1068424908.db2.gz HMKOHPZXRLYDFP-GOSISDBHSA-N 0 0 480.504 0.360 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CCC(=O)Nc4nncs4)C3)OCC2=O)cc1 ZINC001177444818 1068424963 /nfs/dbraw/zinc/42/49/63/1068424963.db2.gz POJQRJNQVOWZHF-NRFANRHFSA-N 0 0 470.511 0.789 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CCC(=O)Nc4nncs4)C3)OCC2=O)cc1 ZINC001177444819 1068424811 /nfs/dbraw/zinc/42/48/11/1068424811.db2.gz POJQRJNQVOWZHF-OAQYLSRUSA-N 0 0 470.511 0.789 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)Cc3ccon3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001177517084 1068426505 /nfs/dbraw/zinc/42/65/05/1068426505.db2.gz ZSQOAPRWVATEQC-LJQANCHMSA-N 0 0 466.473 0.922 20 30 JCEDRN N#Cc1cc(CC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)ccn1 ZINC001177666929 1068433943 /nfs/dbraw/zinc/43/39/43/1068433943.db2.gz IITRUFZDNZISAR-ZWKOTPCHSA-N 0 0 454.512 0.045 20 30 JCEDRN N#Cc1cc(CC(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)ccn1 ZINC001177666945 1068433848 /nfs/dbraw/zinc/43/38/48/1068433848.db2.gz IUPJYJMJMMZDGF-CPJSRVTESA-N 0 0 475.553 0.890 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)Cc3ccnc(C#N)c3)CC2)c2nonc21 ZINC001177667670 1068433933 /nfs/dbraw/zinc/43/39/33/1068433933.db2.gz CYDLGNLWJSOXCY-UHFFFAOYSA-N 0 0 455.500 0.631 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 ZINC001177712959 1068439424 /nfs/dbraw/zinc/43/94/24/1068439424.db2.gz LOPSLLNESPYKLJ-GOSISDBHSA-N 0 0 452.558 0.886 20 30 JCEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 ZINC001177712960 1068439484 /nfs/dbraw/zinc/43/94/84/1068439484.db2.gz LOPSLLNESPYKLJ-SFHVURJKSA-N 0 0 452.558 0.886 20 30 JCEDRN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 ZINC001177758874 1068441732 /nfs/dbraw/zinc/44/17/32/1068441732.db2.gz HPQYXXQGJSNWAX-GOSISDBHSA-N 0 0 450.536 0.506 20 30 JCEDRN C#CCN1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 ZINC001177758876 1068441603 /nfs/dbraw/zinc/44/16/03/1068441603.db2.gz HPQYXXQGJSNWAX-SFHVURJKSA-N 0 0 450.536 0.506 20 30 JCEDRN O=C(C#Cc1cccnc1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001177773634 1068439369 /nfs/dbraw/zinc/43/93/69/1068439369.db2.gz DMNFMAFCYMBHGS-OFVILXPXSA-N 0 0 460.538 0.827 20 30 JCEDRN O=C(C#Cc1cccnc1)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001177777767 1068439342 /nfs/dbraw/zinc/43/93/42/1068439342.db2.gz YQNUJINRAJQARI-SFTDATJTSA-N 0 0 495.534 0.882 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H](C)c1cccnc1)C(=O)OCC ZINC001177797446 1068442668 /nfs/dbraw/zinc/44/26/68/1068442668.db2.gz QHXNETFGDBBSRL-PVAVHDDUSA-N 0 0 496.586 0.107 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H](C)c1cccnc1)C(=O)OCC ZINC001177797447 1068443391 /nfs/dbraw/zinc/44/33/91/1068443391.db2.gz QHXNETFGDBBSRL-XIRDDKMYSA-N 0 0 496.586 0.107 20 30 JCEDRN O=C(C#Cc1ccccn1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001177801171 1068443576 /nfs/dbraw/zinc/44/35/76/1068443576.db2.gz RYLBFRJEVMWAHK-CPJSRVTESA-N 0 0 460.538 0.827 20 30 JCEDRN O=C(C#Cc1ccccn1)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001177801642 1068443293 /nfs/dbraw/zinc/44/32/93/1068443293.db2.gz DKZNLCRMYWXZSE-SFTDATJTSA-N 0 0 495.534 0.882 20 30 JCEDRN Cn1cnc(CC(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)c1 ZINC001177853813 1068444033 /nfs/dbraw/zinc/44/40/33/1068444033.db2.gz RXHJXGLESRJAAL-LJQANCHMSA-N 0 0 479.516 0.667 20 30 JCEDRN Cc1cc(CC(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)nn1C ZINC001177892276 1068444996 /nfs/dbraw/zinc/44/49/96/1068444996.db2.gz KANFFZYOBVLRFY-HXUWFJFHSA-N 0 0 493.543 0.976 20 30 JCEDRN N#C[C@@H](Cc1cccs1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001177908703 1068445880 /nfs/dbraw/zinc/44/58/80/1068445880.db2.gz NEBIMYZIBVMULE-BZZMCLGOSA-N 0 0 451.570 0.551 20 30 JCEDRN N#C[C@H](Cc1cccs1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001177908706 1068445976 /nfs/dbraw/zinc/44/59/76/1068445976.db2.gz NEBIMYZIBVMULE-DZJNRPSUSA-N 0 0 451.570 0.551 20 30 JCEDRN N#C[C@H](Cc1cccs1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001177908708 1068446036 /nfs/dbraw/zinc/44/60/36/1068446036.db2.gz NEBIMYZIBVMULE-DZOHQFGASA-N 0 0 451.570 0.551 20 30 JCEDRN N#C[C@@H](Cc1cccs1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001177908709 1068445754 /nfs/dbraw/zinc/44/57/54/1068445754.db2.gz NEBIMYZIBVMULE-VDHUWJSZSA-N 0 0 451.570 0.551 20 30 JCEDRN N#C[C@@H](Cc1cccs1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001177909544 1068445732 /nfs/dbraw/zinc/44/57/32/1068445732.db2.gz WOSKIMPLGCHHLY-FHLIZLRMSA-N 0 0 473.580 0.980 20 30 JCEDRN N#C[C@H](Cc1cccs1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001177909551 1068445691 /nfs/dbraw/zinc/44/56/91/1068445691.db2.gz WOSKIMPLGCHHLY-JCGIZDLHSA-N 0 0 473.580 0.980 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](C#N)Cc2cccs2)[C@H]1O ZINC001177914506 1068445935 /nfs/dbraw/zinc/44/59/35/1068445935.db2.gz ADNQFNUQTKVGPL-BRWRLMCWSA-N 0 0 457.516 0.072 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H](C#N)Cc2cccs2)[C@H]1O ZINC001177914507 1068446015 /nfs/dbraw/zinc/44/60/15/1068446015.db2.gz ADNQFNUQTKVGPL-VLFOQJPWSA-N 0 0 457.516 0.072 20 30 JCEDRN N#C[C@H](Cc1cccs1)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001177916145 1068445849 /nfs/dbraw/zinc/44/58/49/1068445849.db2.gz DXVDOWAQCPHTBH-CVPFLFKUSA-N 0 0 450.538 0.961 20 30 JCEDRN N#C[C@H](Cc1cccs1)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001177916147 1068446081 /nfs/dbraw/zinc/44/60/81/1068446081.db2.gz DXVDOWAQCPHTBH-CYRJEGOKSA-N 0 0 450.538 0.961 20 30 JCEDRN N#C[C@H](Cc1cccs1)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001177916149 1068445964 /nfs/dbraw/zinc/44/59/64/1068445964.db2.gz DXVDOWAQCPHTBH-LBZKTPJZSA-N 0 0 450.538 0.961 20 30 JCEDRN N#C[C@H](Cc1cccs1)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001177916150 1068445999 /nfs/dbraw/zinc/44/59/99/1068445999.db2.gz DXVDOWAQCPHTBH-LTPLMMEASA-N 0 0 450.538 0.961 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C#N)Cc1cccs1)C(N)=O ZINC001177916909 1068446088 /nfs/dbraw/zinc/44/60/88/1068446088.db2.gz ACPHDJXWEXAZMB-PVAVHDDUSA-N 0 0 481.644 0.801 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C#N)Cc1cccs1)C(N)=O ZINC001177916912 1068445790 /nfs/dbraw/zinc/44/57/90/1068445790.db2.gz ACPHDJXWEXAZMB-XIRDDKMYSA-N 0 0 481.644 0.801 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cc4csc(NC=O)n4)C3)OCC2=O)cc1 ZINC001178031161 1068449212 /nfs/dbraw/zinc/44/92/12/1068449212.db2.gz CFXKJDVFZSQBAQ-NRFANRHFSA-N 0 0 455.496 0.787 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cc4csc(NC=O)n4)C3)OCC2=O)cc1 ZINC001178031162 1068449096 /nfs/dbraw/zinc/44/90/96/1068449096.db2.gz CFXKJDVFZSQBAQ-OAQYLSRUSA-N 0 0 455.496 0.787 20 30 JCEDRN Cn1ccn2c(CCNC(=O)C3CN(c4ccc(Br)cc4C#N)C3)nnc2c1=O ZINC001178036452 1068449795 /nfs/dbraw/zinc/44/97/95/1068449795.db2.gz ZQRCNRFIQAIATO-UHFFFAOYSA-N 0 0 456.304 0.857 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)C1CN(c2cnccn2)C1 ZINC001178092280 1068452147 /nfs/dbraw/zinc/45/21/47/1068452147.db2.gz BFLNYMDRBWXFRS-OALUTQOASA-N 0 0 485.564 0.995 20 30 JCEDRN CO[C@]1(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 ZINC001178251837 1068456662 /nfs/dbraw/zinc/45/66/62/1068456662.db2.gz JKRMLSFJOSWJDT-BEFAXECRSA-N 0 0 457.574 0.460 20 30 JCEDRN CO[C@]1(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 ZINC001178251838 1068457336 /nfs/dbraw/zinc/45/73/36/1068457336.db2.gz JKRMLSFJOSWJDT-KXBFYZLASA-N 0 0 457.574 0.460 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001178256666 1068457737 /nfs/dbraw/zinc/45/77/37/1068457737.db2.gz GFYNMPRQAJHMBR-LBPRGKRZSA-N 0 0 480.489 0.634 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCN(CCC#N)CC1 ZINC001178256826 1068457808 /nfs/dbraw/zinc/45/78/08/1068457808.db2.gz NTFXYKMFVBZLRB-KRWDZBQOSA-N 0 0 459.551 0.938 20 30 JCEDRN COC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=O)c1cnccn1)NC(=O)OC(C)(C)C ZINC001178258717 1068456514 /nfs/dbraw/zinc/45/65/14/1068456514.db2.gz BQYWTDMOCRORNL-JSGCOSHPSA-N 0 0 455.537 0.468 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N=C(N)c1ccc(C(N)=O)cc1 ZINC001178260757 1068462898 /nfs/dbraw/zinc/46/28/98/1068462898.db2.gz HVEGIGGHWCREOR-INIZCTEOSA-N 0 0 483.529 0.911 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)c1cnccn1)NC(=O)OC(C)(C)C)C(=O)NO ZINC001178261170 1068462820 /nfs/dbraw/zinc/46/28/20/1068462820.db2.gz MMSUIZMEJHFOGS-GJZGRUSLSA-N 0 0 466.539 0.916 20 30 JCEDRN CC(C)C[C@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001178337187 1068464308 /nfs/dbraw/zinc/46/43/08/1068464308.db2.gz BXZHOHZGOUQIAN-OZSKJFCKSA-N 0 0 480.529 0.576 20 30 JCEDRN CC(C)C[C@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001178337289 1068464462 /nfs/dbraw/zinc/46/44/62/1068464462.db2.gz DUZNOHKBHSYMIG-GJBLVYBDSA-N 0 0 450.459 0.694 20 30 JCEDRN CC(C)C[C@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001178340215 1068465750 /nfs/dbraw/zinc/46/57/50/1068465750.db2.gz MPTDEUSDHBYPIS-UEKDZROGSA-N 0 0 479.541 0.950 20 30 JCEDRN CC(C)C[C@H](NC(=O)CNC(=O)C=Cc1ccco1)C(=O)N=C(N)c1ccc(C(N)=O)cc1 ZINC001178343060 1068466493 /nfs/dbraw/zinc/46/64/93/1068466493.db2.gz KYQJEFABPUXXFE-BBVFFXRHSA-N 0 0 453.499 0.971 20 30 JCEDRN COc1nc(C(=NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)NO)ccc1-n1cnc(C)c1 ZINC001178506915 1068486265 /nfs/dbraw/zinc/48/62/65/1068486265.db2.gz NORFDHNNXDYGEP-UHFFFAOYSA-N 0 0 487.517 0.916 20 30 JCEDRN C/C=C(C)/C=C/C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001178514684 1068486337 /nfs/dbraw/zinc/48/63/37/1068486337.db2.gz QJSVGZTZNCBJLO-WYAQETBTSA-N 0 0 471.576 0.431 20 30 JCEDRN CN1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)CC1=O ZINC001178528747 1068487049 /nfs/dbraw/zinc/48/70/49/1068487049.db2.gz NQABQTGSCWNQQE-IEBWSBKVSA-N 0 0 482.516 0.169 20 30 JCEDRN CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)CC1=O ZINC001178528748 1068487160 /nfs/dbraw/zinc/48/71/60/1068487160.db2.gz NQABQTGSCWNQQE-PKOBYXMFSA-N 0 0 482.516 0.169 20 30 JCEDRN O=C(C#Cc1ccc(F)cc1F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001178569524 1068492736 /nfs/dbraw/zinc/49/27/36/1068492736.db2.gz ALYSXLMDQCTUSE-YQVWRLOYSA-N 0 0 452.479 0.437 20 30 JCEDRN O=C(C#Cc1ccc(F)cc1F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001178569525 1068492607 /nfs/dbraw/zinc/49/26/07/1068492607.db2.gz ALYSXLMDQCTUSE-ZHALLVOQSA-N 0 0 452.479 0.437 20 30 JCEDRN O=C(C#Cc1ccc(F)cc1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001178569924 1068492758 /nfs/dbraw/zinc/49/27/58/1068492758.db2.gz MFDUGCBTZLEMOO-PKOBYXMFSA-N 0 0 474.489 0.866 20 30 JCEDRN O=C(C#Cc1ccc(F)cc1F)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001178573009 1068492526 /nfs/dbraw/zinc/49/25/26/1068492526.db2.gz GZQOKCBVPNWWIF-GVVDHYSOSA-N 0 0 451.447 0.847 20 30 JCEDRN O=C(C#Cc1ccc(F)cc1F)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001178573010 1068492678 /nfs/dbraw/zinc/49/26/78/1068492678.db2.gz GZQOKCBVPNWWIF-PPQDBTBKSA-N 0 0 451.447 0.847 20 30 JCEDRN O=C(C#Cc1ccc(F)cc1F)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001178573011 1068492710 /nfs/dbraw/zinc/49/27/10/1068492710.db2.gz GZQOKCBVPNWWIF-RQSWOZRGSA-N 0 0 451.447 0.847 20 30 JCEDRN O=C(C#Cc1ccc(F)cc1F)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001178573012 1068492704 /nfs/dbraw/zinc/49/27/04/1068492704.db2.gz GZQOKCBVPNWWIF-VLQCVTHLSA-N 0 0 451.447 0.847 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C#Cc1ccc(F)cc1F)C(N)=O ZINC001178574133 1068492496 /nfs/dbraw/zinc/49/24/96/1068492496.db2.gz HLULOWFAQINBQF-ROUUACIJSA-N 0 0 482.553 0.687 20 30 JCEDRN N#C[C@@]12CN(C(=O)CS(=O)(=O)Cc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001178756976 1068509420 /nfs/dbraw/zinc/50/94/20/1068509420.db2.gz HZRHVKJMHDPVLF-BBRMVZONSA-N 0 0 461.359 0.761 20 30 JCEDRN N#C[C@@]12CN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCCC4)C[C@H]1CS(=O)(=O)C2 ZINC001178757899 1068509405 /nfs/dbraw/zinc/50/94/05/1068509405.db2.gz XXQLNLMCGGNAMI-PXNSSMCTSA-N 0 0 451.570 0.631 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1 ZINC001178764529 1068510303 /nfs/dbraw/zinc/51/03/03/1068510303.db2.gz WCLLXAASFBHBEH-JOCHJYFZSA-N 0 0 476.555 0.191 20 30 JCEDRN CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1 ZINC001178764530 1068510286 /nfs/dbraw/zinc/51/02/86/1068510286.db2.gz WCLLXAASFBHBEH-QFIPXVFZSA-N 0 0 476.555 0.191 20 30 JCEDRN CS(=O)(=O)c1ccc(-n2ncc(C#N)c2NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC001178764612 1068510729 /nfs/dbraw/zinc/51/07/29/1068510729.db2.gz ZYCCJEBKQJKXKJ-UHFFFAOYSA-N 0 0 451.530 0.758 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)CCN1CCOC1=O ZINC001178782226 1068511520 /nfs/dbraw/zinc/51/15/20/1068511520.db2.gz GKTQKKOMPPQKSX-IRXDYDNUSA-N 0 0 465.526 0.911 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)CCN3CCOC3=O)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001178786615 1068511484 /nfs/dbraw/zinc/51/14/84/1068511484.db2.gz YAIYRCAHCXEREP-LJQANCHMSA-N 0 0 498.515 0.533 20 30 JCEDRN Cn1c2ccccc2n(CC(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1=O ZINC001178790720 1068512302 /nfs/dbraw/zinc/51/23/02/1068512302.db2.gz ZROLLVIFFZQCLL-RUZDIDTESA-N 0 0 475.505 0.873 20 30 JCEDRN Cn1c2ccccc2n(CC(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1=O ZINC001178790721 1068512524 /nfs/dbraw/zinc/51/25/24/1068512524.db2.gz ZROLLVIFFZQCLL-VWLOTQADSA-N 0 0 475.505 0.873 20 30 JCEDRN CN1CCN(CC(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)CC1 ZINC001178949512 1068517879 /nfs/dbraw/zinc/51/78/79/1068517879.db2.gz BLKKMOLRDPCBME-OALUTQOASA-N 0 0 464.586 0.316 20 30 JCEDRN CC(=O)N1CCC([NH+]2CCC(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CC2)CC1 ZINC001179017487 1068519252 /nfs/dbraw/zinc/51/92/52/1068519252.db2.gz JMEYPSYOFZVWKY-KRWDZBQOSA-N 0 0 466.541 0.252 20 30 JCEDRN CC(=O)N1CCC([NH+]2CCC(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CC2)CC1 ZINC001179017488 1068518992 /nfs/dbraw/zinc/51/89/92/1068518992.db2.gz JMEYPSYOFZVWKY-QGZVFWFLSA-N 0 0 466.541 0.252 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C1(CC)CCC1)C(=O)OCC ZINC001179026849 1068526525 /nfs/dbraw/zinc/52/65/25/1068526525.db2.gz LXKKZRGONAUCOE-GJZGRUSLSA-N 0 0 473.592 0.489 20 30 JCEDRN CC(=O)N1CCN(CC(=O)n2c(=N)c3c(N)nc(N4CCCC4)cc3c(C#N)c2N2CCCC2)CC1 ZINC001179027396 1068526424 /nfs/dbraw/zinc/52/64/24/1068526424.db2.gz BLXKGAYJLNUKKZ-UHFFFAOYSA-N 0 0 491.600 0.974 20 30 JCEDRN CC(=O)N1CCN(CC(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)CC1 ZINC001179031876 1068527021 /nfs/dbraw/zinc/52/70/21/1068527021.db2.gz VAPLDEDAMWXRSU-PMACEKPBSA-N 0 0 492.596 0.233 20 30 JCEDRN CN1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)nc2N)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179149423 1068534849 /nfs/dbraw/zinc/53/48/49/1068534849.db2.gz FRCBDZFSWDBJNH-HNNXBMFYSA-N 0 0 456.507 0.841 20 30 JCEDRN CN1C[C@H](C(=O)Nc2nc(C#N)c(C#N)nc2N)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179149424 1068534830 /nfs/dbraw/zinc/53/48/30/1068534830.db2.gz FRCBDZFSWDBJNH-OAHLLOKOSA-N 0 0 456.507 0.841 20 30 JCEDRN CN1C[C@@H](C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179150637 1068534637 /nfs/dbraw/zinc/53/46/37/1068534637.db2.gz OGIDGKPMGHKUEF-INIZCTEOSA-N 0 0 486.577 0.723 20 30 JCEDRN CN1C[C@H](C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179150638 1068534733 /nfs/dbraw/zinc/53/47/33/1068534733.db2.gz OGIDGKPMGHKUEF-MRXNPFEDSA-N 0 0 486.577 0.723 20 30 JCEDRN COc1nc(C(=NC(=O)[C@@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)NO)ccc1-n1cnc(C)c1 ZINC001179224764 1068550243 /nfs/dbraw/zinc/55/02/43/1068550243.db2.gz OKSOFIQSZVWGEU-KRWDZBQOSA-N 0 0 499.528 0.962 20 30 JCEDRN COc1nc(C(=NC(=O)[C@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)NO)ccc1-n1cnc(C)c1 ZINC001179224765 1068550385 /nfs/dbraw/zinc/55/03/85/1068550385.db2.gz OKSOFIQSZVWGEU-QGZVFWFLSA-N 0 0 499.528 0.962 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)CCS2(=O)=O ZINC001179357244 1068557163 /nfs/dbraw/zinc/55/71/63/1068557163.db2.gz OIBPSVXBLDYFRD-CYBMUJFWSA-N 0 0 477.547 0.047 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)CCS2(=O)=O ZINC001179357245 1068557173 /nfs/dbraw/zinc/55/71/73/1068557173.db2.gz OIBPSVXBLDYFRD-ZDUSSCGKSA-N 0 0 477.547 0.047 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)Nc1c(C#N)cnc3c(C#N)cnn31)CCS2(=O)=O ZINC001179357750 1068557556 /nfs/dbraw/zinc/55/75/56/1068557556.db2.gz WIVIPHNURBDTED-AWEZNQCLSA-N 0 0 471.499 0.835 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)Nc1c(C#N)cnc3c(C#N)cnn31)CCS2(=O)=O ZINC001179357752 1068558074 /nfs/dbraw/zinc/55/80/74/1068558074.db2.gz WIVIPHNURBDTED-CQSZACIVSA-N 0 0 471.499 0.835 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001179358442 1068558742 /nfs/dbraw/zinc/55/87/42/1068558742.db2.gz DNRCLZBYDNAJJF-AWEZNQCLSA-N 0 0 455.533 0.716 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001179358443 1068558549 /nfs/dbraw/zinc/55/85/49/1068558549.db2.gz DNRCLZBYDNAJJF-CQSZACIVSA-N 0 0 455.533 0.716 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N1CCN(c3nccnc3C#N)CC1)CCS2(=O)=O ZINC001179361027 1068562365 /nfs/dbraw/zinc/56/23/65/1068562365.db2.gz YOSRSWOYMSNCGO-HNNXBMFYSA-N 0 0 476.559 0.421 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N1CCN(c3nccnc3C#N)CC1)CCS2(=O)=O ZINC001179361031 1068562491 /nfs/dbraw/zinc/56/24/91/1068562491.db2.gz YOSRSWOYMSNCGO-OAHLLOKOSA-N 0 0 476.559 0.421 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2 ZINC001179362091 1068562475 /nfs/dbraw/zinc/56/24/75/1068562475.db2.gz DJSKKBHDVWQHHI-GFCCVEGCSA-N 0 0 453.477 0.732 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2 ZINC001179362094 1068562404 /nfs/dbraw/zinc/56/24/04/1068562404.db2.gz DJSKKBHDVWQHHI-LBPRGKRZSA-N 0 0 453.477 0.732 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)C(=C([O-])NC(=[NH2+])c1ccc(C(N)=O)cc1)CCS2(=O)=O ZINC001179363781 1068564757 /nfs/dbraw/zinc/56/47/57/1068564757.db2.gz QAQAAMFKMPGWHM-AWEZNQCLSA-N 0 0 450.517 0.442 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)C(=C([O-])NC(=[NH2+])c1ccc(C(N)=O)cc1)CCS2(=O)=O ZINC001179363782 1068564889 /nfs/dbraw/zinc/56/48/89/1068564889.db2.gz QAQAAMFKMPGWHM-CQSZACIVSA-N 0 0 450.517 0.442 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)NO)nc1 ZINC001179364203 1068565478 /nfs/dbraw/zinc/56/54/78/1068565478.db2.gz VXRLQMRBQWPMSZ-CYBMUJFWSA-N 0 0 454.505 0.766 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)NO)nc1 ZINC001179364204 1068565337 /nfs/dbraw/zinc/56/53/37/1068565337.db2.gz VXRLQMRBQWPMSZ-ZDUSSCGKSA-N 0 0 454.505 0.766 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N(O)C(=N)c2nonc2N)[C@@]2(C1)c1ccccc1NC2=O ZINC001179434536 1068568688 /nfs/dbraw/zinc/56/86/88/1068568688.db2.gz JYMDAYXBGQQIQD-BIBXISHDSA-N 0 0 457.447 0.952 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N(O)C(=N)c2nonc2N)[C@]2(C1)c1ccccc1NC2=O ZINC001179434537 1068568613 /nfs/dbraw/zinc/56/86/13/1068568613.db2.gz JYMDAYXBGQQIQD-GIPWTMENSA-N 0 0 457.447 0.952 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N(O)C(=N)c2nonc2N)[C@@]2(C1)c1ccccc1NC2=O ZINC001179434538 1068568573 /nfs/dbraw/zinc/56/85/73/1068568573.db2.gz JYMDAYXBGQQIQD-PRWKNARSSA-N 0 0 457.447 0.952 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N(O)C(=N)c2nonc2N)[C@]2(C1)c1ccccc1NC2=O ZINC001179434539 1068568544 /nfs/dbraw/zinc/56/85/44/1068568544.db2.gz JYMDAYXBGQQIQD-YBTHPKLGSA-N 0 0 457.447 0.952 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)CCO)cn2n1 ZINC001179574041 1068575174 /nfs/dbraw/zinc/57/51/74/1068575174.db2.gz HDUNPGDTZQIFSO-KRWDZBQOSA-N 0 0 455.519 0.272 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001179583074 1068578288 /nfs/dbraw/zinc/57/82/88/1068578288.db2.gz DSNPGSYIMHRQRT-CADBVGFASA-N 0 0 459.547 0.930 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001179583506 1068578534 /nfs/dbraw/zinc/57/85/34/1068578534.db2.gz JQUXZOOPEPYESA-ULQDDVLXSA-N 0 0 479.578 0.026 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001179583665 1068578505 /nfs/dbraw/zinc/57/85/05/1068578505.db2.gz LYNJYSVZJZQPLQ-KRWDZBQOSA-N 0 0 469.546 0.848 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001179583772 1068578415 /nfs/dbraw/zinc/57/84/15/1068578415.db2.gz PVAGSDDKTGZEEV-GAJHUEQPSA-N 0 0 496.630 0.636 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001179583773 1068578551 /nfs/dbraw/zinc/57/85/51/1068578551.db2.gz PVAGSDDKTGZEEV-SBUREZEXSA-N 0 0 496.630 0.636 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001179584131 1068578564 /nfs/dbraw/zinc/57/85/64/1068578564.db2.gz WBISESPUWZWNON-KRWDZBQOSA-N 0 0 458.563 0.609 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001179584169 1068578360 /nfs/dbraw/zinc/57/83/60/1068578360.db2.gz WWCXZWNEVPMNBB-XQQXVUDOSA-N 0 0 490.582 0.882 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001179584206 1068578388 /nfs/dbraw/zinc/57/83/88/1068578388.db2.gz XGKZHGFSYHZDKW-AEFFLSMTSA-N 0 0 467.530 0.978 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001179584211 1068578434 /nfs/dbraw/zinc/57/84/34/1068578434.db2.gz XGKZHGFSYHZDKW-WMZOPIPTSA-N 0 0 467.530 0.978 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001179584315 1068578401 /nfs/dbraw/zinc/57/84/01/1068578401.db2.gz ZPFXRESOVPGMNE-XWTMOSNGSA-N 0 0 483.587 0.024 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001179584319 1068578371 /nfs/dbraw/zinc/57/83/71/1068578371.db2.gz ZPFXRESOVPGMNE-ZJPYXAASSA-N 0 0 483.587 0.024 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001179586346 1068577308 /nfs/dbraw/zinc/57/73/08/1068577308.db2.gz WRPKZCVLAGUXMG-JTQLQIEISA-N 0 0 480.952 0.490 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001179587382 1068577292 /nfs/dbraw/zinc/57/72/92/1068577292.db2.gz WZMXEOJMNHWFFJ-INIZCTEOSA-N 0 0 488.607 0.902 20 30 JCEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001179591495 1068577215 /nfs/dbraw/zinc/57/72/15/1068577215.db2.gz WVGSSJSVZONFSQ-OTWHNJEPSA-N 0 0 474.558 0.962 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@@H](O)C(C)C)cn2n1 ZINC001179604315 1068577717 /nfs/dbraw/zinc/57/77/17/1068577717.db2.gz SPELTLPBVBCUSO-RXVVDRJESA-N 0 0 483.573 0.906 20 30 JCEDRN CC(C)[C@H](O)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001179606935 1068577815 /nfs/dbraw/zinc/57/78/15/1068577815.db2.gz GTOMSWUXOFOMSE-NQIIRXRSSA-N 0 0 457.506 0.708 20 30 JCEDRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2=O ZINC001179649820 1068578474 /nfs/dbraw/zinc/57/84/74/1068578474.db2.gz AWJHMIZUSMGOMY-FAALFERTSA-N 0 0 450.561 0.910 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179649934 1068578600 /nfs/dbraw/zinc/57/86/00/1068578600.db2.gz CVOVRZMZBQZSSA-DKICVRJWSA-N 0 0 464.569 0.537 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179649935 1068578313 /nfs/dbraw/zinc/57/83/13/1068578313.db2.gz CVOVRZMZBQZSSA-YYFZDKIDSA-N 0 0 464.569 0.537 20 30 JCEDRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179650338 1068578518 /nfs/dbraw/zinc/57/85/18/1068578518.db2.gz FLROULUUMDTBMD-FHWWIPJOSA-N 0 0 459.446 0.369 20 30 JCEDRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179650339 1068578345 /nfs/dbraw/zinc/57/83/45/1068578345.db2.gz FLROULUUMDTBMD-NWABDCGUSA-N 0 0 459.446 0.369 20 30 JCEDRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179650340 1068579217 /nfs/dbraw/zinc/57/92/17/1068579217.db2.gz FLROULUUMDTBMD-RYNUQHCNSA-N 0 0 459.446 0.369 20 30 JCEDRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179650341 1068578977 /nfs/dbraw/zinc/57/89/77/1068578977.db2.gz FLROULUUMDTBMD-UGFROVDNSA-N 0 0 459.446 0.369 20 30 JCEDRN CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179650603 1068579195 /nfs/dbraw/zinc/57/91/95/1068579195.db2.gz GYSGFGIYEAHERY-DXEZIKHYSA-N 0 0 454.593 0.609 20 30 JCEDRN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179650607 1068578930 /nfs/dbraw/zinc/57/89/30/1068578930.db2.gz GYSGFGIYEAHERY-FAPUVCABSA-N 0 0 454.593 0.609 20 30 JCEDRN CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179650608 1068579057 /nfs/dbraw/zinc/57/90/57/1068579057.db2.gz GYSGFGIYEAHERY-GXYOHSSGSA-N 0 0 454.593 0.609 20 30 JCEDRN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179650609 1068578972 /nfs/dbraw/zinc/57/89/72/1068578972.db2.gz GYSGFGIYEAHERY-VCAMNPENSA-N 0 0 454.593 0.609 20 30 JCEDRN CNS(=O)(=O)c1ccc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 ZINC001179651230 1068579112 /nfs/dbraw/zinc/57/91/12/1068579112.db2.gz KNBISZHCESJXIO-ZUZCIYMTSA-N 0 0 462.347 0.368 20 30 JCEDRN N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001179651738 1068578888 /nfs/dbraw/zinc/57/88/88/1068578888.db2.gz OCNQNVJQEMKRIW-FRQCXROJSA-N 0 0 453.542 0.154 20 30 JCEDRN N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001179651743 1068579157 /nfs/dbraw/zinc/57/91/57/1068579157.db2.gz OCNQNVJQEMKRIW-TXPKVOOTSA-N 0 0 453.542 0.154 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)OCC ZINC001179697855 1068580376 /nfs/dbraw/zinc/58/03/76/1068580376.db2.gz PGXVFAVPTBZXDM-KBPBESRZSA-N 0 0 487.619 0.591 20 30 JCEDRN CCC1=NC2(CCC(C(=O)n3c(N)c(C#N)c(N)nc3=NC3CC3)CC2)C(=O)N1CCOC ZINC001179709676 1068582056 /nfs/dbraw/zinc/58/20/56/1068582056.db2.gz KLSDJHVJNGXYLO-UHFFFAOYSA-N 0 0 454.535 0.849 20 30 JCEDRN CC#CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1O ZINC001179748343 1068585379 /nfs/dbraw/zinc/58/53/79/1068585379.db2.gz LCVXBRZDRYZJJB-HAXDFEGKSA-N 0 0 487.494 0.121 20 30 JCEDRN C[C@@H](C#N)C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001179888709 1068586384 /nfs/dbraw/zinc/58/63/84/1068586384.db2.gz AUMGRMJGGKLROU-CDEVMZEPSA-N 0 0 457.228 0.775 20 30 JCEDRN C[C@H](C#N)C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001179888711 1068586478 /nfs/dbraw/zinc/58/64/78/1068586478.db2.gz AUMGRMJGGKLROU-CZULRBLNSA-N 0 0 457.228 0.775 20 30 JCEDRN C[C@@H](C#N)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001179900748 1068586306 /nfs/dbraw/zinc/58/63/06/1068586306.db2.gz CHDZMSMTOVJALP-BWJWTDLKSA-N 0 0 452.581 0.128 20 30 JCEDRN C[C@H](C#N)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001179900752 1068586402 /nfs/dbraw/zinc/58/64/02/1068586402.db2.gz CHDZMSMTOVJALP-MDLJMBGESA-N 0 0 452.581 0.128 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@H](C)C#N)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001179902307 1068587354 /nfs/dbraw/zinc/58/73/54/1068587354.db2.gz YRBYJXPDMDSGGH-JLSDUUJJSA-N 0 0 460.535 0.115 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H](C)C#N)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001179902308 1068587386 /nfs/dbraw/zinc/58/73/86/1068587386.db2.gz YRBYJXPDMDSGGH-WBAXXEDZSA-N 0 0 460.535 0.115 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)/C=C/C(F)(F)F)C(=O)OCC ZINC001179932947 1068586929 /nfs/dbraw/zinc/58/69/29/1068586929.db2.gz SEIQZQGUAIHMIU-BRQSLIGTSA-N 0 0 485.481 0.027 20 30 JCEDRN CN1CCN(S(=O)(=O)N2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)CC1 ZINC001180010944 1068591028 /nfs/dbraw/zinc/59/10/28/1068591028.db2.gz BRPNWBJFBZDZFS-UHFFFAOYSA-N 0 0 458.592 0.469 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CN4c5ccccc5C(=O)C4=O)C3)OCC2=O)cc1 ZINC001180049432 1068590048 /nfs/dbraw/zinc/59/00/48/1068590048.db2.gz ZNOYAPJIUVCVRX-RUZDIDTESA-N 0 0 474.473 0.749 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CN4c5ccccc5C(=O)C4=O)C3)OCC2=O)cc1 ZINC001180049433 1068589877 /nfs/dbraw/zinc/58/98/77/1068589877.db2.gz ZNOYAPJIUVCVRX-VWLOTQADSA-N 0 0 474.473 0.749 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H](F)c1ccccc1)C(=O)OCC ZINC001180153577 1068596091 /nfs/dbraw/zinc/59/60/91/1068596091.db2.gz QBINVIZHNCQIHE-BXWFABGCSA-N 0 0 499.561 0.619 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H](F)c1ccccc1)C(=O)OCC ZINC001180153582 1068596166 /nfs/dbraw/zinc/59/61/66/1068596166.db2.gz QBINVIZHNCQIHE-TXPKVOOTSA-N 0 0 499.561 0.619 20 30 JCEDRN CC(=O)N(C)CCC(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001180224998 1068596710 /nfs/dbraw/zinc/59/67/10/1068596710.db2.gz JHYACUVIKWYATB-ROUUACIJSA-N 0 0 451.543 0.937 20 30 JCEDRN CC(=O)N(C)CCC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001180229372 1068596665 /nfs/dbraw/zinc/59/66/65/1068596665.db2.gz KJXMGHINKFPISC-HXUWFJFHSA-N 0 0 484.532 0.559 20 30 JCEDRN Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N(O)C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180263474 1068598882 /nfs/dbraw/zinc/59/88/82/1068598882.db2.gz LZLSFPVVXDHYQV-UHFFFAOYSA-N 0 0 467.845 0.869 20 30 JCEDRN CS(=O)(=O)c1ccc(-n2ncc(C#N)c2NC(=O)CCC(=O)N2CCNC(=O)CC2)cc1 ZINC001180263694 1068599050 /nfs/dbraw/zinc/59/90/50/1068599050.db2.gz RCLHYENNYLUWFY-UHFFFAOYSA-N 0 0 458.500 0.215 20 30 JCEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)CCC(=O)N4CCNC(=O)CC4)C3)C2)n1 ZINC001180264087 1068599401 /nfs/dbraw/zinc/59/94/01/1068599401.db2.gz PAECKSDUWIIMKC-DEOSSOPVSA-N 0 0 468.558 0.527 20 30 JCEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)CCC(=O)N4CCNC(=O)CC4)C3)C2)n1 ZINC001180264092 1068599543 /nfs/dbraw/zinc/59/95/43/1068599543.db2.gz PAECKSDUWIIMKC-XMMPIXPASA-N 0 0 468.558 0.527 20 30 JCEDRN COCCOc1cc(C#N)c(NC(=O)CCC(=O)N2CCNC(=O)CC2)cc1OCCOC ZINC001180268940 1068602185 /nfs/dbraw/zinc/60/21/85/1068602185.db2.gz PSIWLXVDCGRAFL-UHFFFAOYSA-N 0 0 462.503 0.676 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)c2ccccc2I)C1=O ZINC001180270797 1068602834 /nfs/dbraw/zinc/60/28/34/1068602834.db2.gz HGFYASHWYRGUJK-GFCCVEGCSA-N 0 0 457.224 0.418 20 30 JCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)c2ccccc2I)C1=O ZINC001180270798 1068602932 /nfs/dbraw/zinc/60/29/32/1068602932.db2.gz HGFYASHWYRGUJK-LBPRGKRZSA-N 0 0 457.224 0.418 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)CCC(F)=C(F)F)C(=O)OCC ZINC001180283866 1068604979 /nfs/dbraw/zinc/60/49/79/1068604979.db2.gz QDOKARRCXIHNMH-STQMWFEESA-N 0 0 499.508 0.766 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CCc4ccc(S(N)(=O)=O)cc4)C3)OCC2=O)cc1 ZINC001180377327 1068608551 /nfs/dbraw/zinc/60/85/51/1068608551.db2.gz HARNDWMZPWRMEE-DEOSSOPVSA-N 0 0 498.561 0.799 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CCc4ccc(S(N)(=O)=O)cc4)C3)OCC2=O)cc1 ZINC001180377341 1068608634 /nfs/dbraw/zinc/60/86/34/1068608634.db2.gz HARNDWMZPWRMEE-XMMPIXPASA-N 0 0 498.561 0.799 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)CN2C(=O)CNC2=O)c1N1CCCC1 ZINC001180383301 1068610911 /nfs/dbraw/zinc/61/09/11/1068610911.db2.gz VSYGJJZVIAQUHX-UHFFFAOYSA-N 0 0 463.502 0.362 20 30 JCEDRN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001180409171 1068616900 /nfs/dbraw/zinc/61/69/00/1068616900.db2.gz BWRUREPUAZLTQE-BBWFWOEESA-N 0 0 475.504 0.450 20 30 JCEDRN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001180409180 1068616841 /nfs/dbraw/zinc/61/68/41/1068616841.db2.gz BWRUREPUAZLTQE-GVDBMIGSSA-N 0 0 475.504 0.450 20 30 JCEDRN CN1N=C(C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)CCC1=O ZINC001180443168 1068615459 /nfs/dbraw/zinc/61/54/59/1068615459.db2.gz JURCGBPVUGUAEV-HOTGVXAUSA-N 0 0 462.526 0.677 20 30 JCEDRN CN1N=C(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)CCC1=O ZINC001180444799 1068615401 /nfs/dbraw/zinc/61/54/01/1068615401.db2.gz BSEHKGQWENYQAH-GOSISDBHSA-N 0 0 495.515 0.299 20 30 JCEDRN COc1cc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1C#N ZINC001180453389 1068618957 /nfs/dbraw/zinc/61/89/57/1068618957.db2.gz ZEPARWROISMNFL-UHFFFAOYSA-N 0 0 450.542 0.721 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)CCC(=O)N1CCOCC1 ZINC001180494425 1068620079 /nfs/dbraw/zinc/62/00/79/1068620079.db2.gz MSHMXGSQRAQRPT-OALUTQOASA-N 0 0 493.580 0.708 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CCC(=O)N4CCOCC4)C3)OCC2=O)cc1 ZINC001180494991 1068620181 /nfs/dbraw/zinc/62/01/81/1068620181.db2.gz UHQNYSFPBDODTP-HSZRJFAPSA-N 0 0 456.499 0.158 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CCC(=O)N4CCOCC4)C3)OCC2=O)cc1 ZINC001180495003 1068620258 /nfs/dbraw/zinc/62/02/58/1068620258.db2.gz UHQNYSFPBDODTP-QHCPKHFHSA-N 0 0 456.499 0.158 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCN(c2ccccc2C#N)CC1)C(=O)NCC(N)=O ZINC001180507770 1068620818 /nfs/dbraw/zinc/62/08/18/1068620818.db2.gz LYKJZXKUDCDQDH-UNMCSNQZSA-N 0 0 496.612 0.898 20 30 JCEDRN Cc1cn([C@H]2C[C@H](NC(=O)C3CCN(c4ccccc4C#N)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001180509623 1068620738 /nfs/dbraw/zinc/62/07/38/1068620738.db2.gz OHKYCZBIECIWOB-DFQSSKMNSA-N 0 0 453.499 0.810 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)[C@H]1CSCC(=O)N1 ZINC001180550533 1068621582 /nfs/dbraw/zinc/62/15/82/1068621582.db2.gz GYEJXFNRWYYCMD-HRCADAONSA-N 0 0 467.567 0.300 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)[C@@H]1CSCC(=O)N1 ZINC001180550536 1068621529 /nfs/dbraw/zinc/62/15/29/1068621529.db2.gz GYEJXFNRWYYCMD-JYJNAYRXSA-N 0 0 467.567 0.300 20 30 JCEDRN C=CCSCC(=O)N[C@H](C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C ZINC001180561471 1068622957 /nfs/dbraw/zinc/62/29/57/1068622957.db2.gz LUWJFCZUUHZNKE-ICSRJNTNSA-N 0 0 493.630 0.874 20 30 JCEDRN C=CCSCC(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001180561630 1068622746 /nfs/dbraw/zinc/62/27/46/1068622746.db2.gz RTMBXMRMMFAKAC-HUYLIWGRSA-N 0 0 475.523 0.777 20 30 JCEDRN C=CCSCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001180561804 1068622984 /nfs/dbraw/zinc/62/29/84/1068622984.db2.gz ZDCRZJVJNIDBCE-FPXQBCRKSA-N 0 0 485.676 0.888 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)CN2CCS(=O)(=O)CC2)c1N1CCCC1 ZINC001180591690 1068624859 /nfs/dbraw/zinc/62/48/59/1068624859.db2.gz SEVIAFJEZRATDF-UHFFFAOYSA-N 0 0 498.613 0.541 20 30 JCEDRN Cn1c(Br)c(C#N)c2c1nc(Cl)nc2NC(=O)CN1CCS(=O)(=O)CC1 ZINC001180595073 1068625840 /nfs/dbraw/zinc/62/58/40/1068625840.db2.gz ZFDQXAUOAFRDSB-UHFFFAOYSA-N 0 0 461.729 0.925 20 30 JCEDRN CN1CC[C@H](C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)CC1=O ZINC001180638352 1068629704 /nfs/dbraw/zinc/62/97/04/1068629704.db2.gz HFBWBRPMMYNGPC-BZSNNMDCSA-N 0 0 463.554 0.937 20 30 JCEDRN CN1CC[C@@H](C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)CC1=O ZINC001180638353 1068629754 /nfs/dbraw/zinc/62/97/54/1068629754.db2.gz HFBWBRPMMYNGPC-SQNIBIBYSA-N 0 0 463.554 0.937 20 30 JCEDRN C[C@@H]1O[C@@H](OCCNC(=O)C[C@H](Cc2ccccc2C#N)NC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001180719444 1068633985 /nfs/dbraw/zinc/63/39/85/1068633985.db2.gz FNMWQOJOYIQSAY-SKSBSBCQSA-N 0 0 493.557 0.344 20 30 JCEDRN CN1CCO[C@H](C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001180758557 1068633464 /nfs/dbraw/zinc/63/34/64/1068633464.db2.gz IBMCXRADSOLSIA-BZSNNMDCSA-N 0 0 451.543 0.399 20 30 JCEDRN CN1CCO[C@@H](C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001180758571 1068633339 /nfs/dbraw/zinc/63/33/39/1068633339.db2.gz IBMCXRADSOLSIA-OKZBNKHCSA-N 0 0 451.543 0.399 20 30 JCEDRN CN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)C1 ZINC001180763801 1068638861 /nfs/dbraw/zinc/63/88/61/1068638861.db2.gz MMIAMZXOXOUOKF-UXHICEINSA-N 0 0 484.532 0.022 20 30 JCEDRN CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)C1 ZINC001180763802 1068638892 /nfs/dbraw/zinc/63/88/92/1068638892.db2.gz MMIAMZXOXOUOKF-WOJBJXKFSA-N 0 0 484.532 0.022 20 30 JCEDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC2 ZINC001180782021 1068639700 /nfs/dbraw/zinc/63/97/00/1068639700.db2.gz BDNBBEVQFSSYDE-INIZCTEOSA-N 0 0 459.551 0.499 20 30 JCEDRN CCOC(=O)[C@H](NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001180782235 1068639782 /nfs/dbraw/zinc/63/97/82/1068639782.db2.gz CGLYXVRBCPUWKR-BBWFWOEESA-N 0 0 483.543 0.978 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001180782391 1068639579 /nfs/dbraw/zinc/63/95/79/1068639579.db2.gz FXRHYVQERMWMDQ-JLHGSKIFSA-N 0 0 450.536 0.907 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001180782502 1068639724 /nfs/dbraw/zinc/63/97/24/1068639724.db2.gz GXKKIIOMXZUZIN-BDXSIMOUSA-N 0 0 450.536 0.763 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001180782558 1068639732 /nfs/dbraw/zinc/63/97/32/1068639732.db2.gz HCDRPADQLIIPRQ-MSQSPTIYSA-N 0 0 491.570 0.772 20 30 JCEDRN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC2 ZINC001180782583 1068639769 /nfs/dbraw/zinc/63/97/69/1068639769.db2.gz HJYHIXFXUTYGCH-INIZCTEOSA-N 0 0 470.534 0.738 20 30 JCEDRN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC[C@@H]32)cn1 ZINC001180783289 1068639806 /nfs/dbraw/zinc/63/98/06/1068639806.db2.gz NPJRJHGZXYEEPG-XLAORIBOSA-N 0 0 460.535 0.820 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001180783303 1068639542 /nfs/dbraw/zinc/63/95/42/1068639542.db2.gz NVZBXSSFRXAWOY-INIZCTEOSA-N 0 0 475.550 0.956 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)NCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001180783590 1068640470 /nfs/dbraw/zinc/64/04/70/1068640470.db2.gz VHSNFAZKPHBFKP-HNNXBMFYSA-N 0 0 489.595 0.792 20 30 JCEDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC3)C1=O ZINC001180783591 1068640304 /nfs/dbraw/zinc/64/03/04/1068640304.db2.gz RWBLWNAZVVOFKP-AOMKIAJQSA-N 0 0 497.618 0.526 20 30 JCEDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC3)C1=O ZINC001180783594 1068640432 /nfs/dbraw/zinc/64/04/32/1068640432.db2.gz RWBLWNAZVVOFKP-KSFYIVLOSA-N 0 0 497.618 0.526 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001180783721 1068640294 /nfs/dbraw/zinc/64/02/94/1068640294.db2.gz YJLNMVDMKTWYEH-VIFPVBQESA-N 0 0 481.940 0.380 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001180784028 1068633971 /nfs/dbraw/zinc/63/39/71/1068633971.db2.gz ZJLUYWKHCZOECM-RDJZCZTQSA-N 0 0 468.518 0.868 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001180784029 1068634155 /nfs/dbraw/zinc/63/41/55/1068634155.db2.gz ZJLUYWKHCZOECM-WBVHZDCISA-N 0 0 468.518 0.868 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)C(N)=O ZINC001180784233 1068634168 /nfs/dbraw/zinc/63/41/68/1068634168.db2.gz LOWWGSIZFORBHN-KSZLIROESA-N 0 0 475.546 0.853 20 30 JCEDRN COc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cc1 ZINC001180807391 1068643155 /nfs/dbraw/zinc/64/31/55/1068643155.db2.gz GBVZPLPJDQIFML-RUZDIDTESA-N 0 0 478.505 0.958 20 30 JCEDRN COc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cc1 ZINC001180807392 1068643175 /nfs/dbraw/zinc/64/31/75/1068643175.db2.gz GBVZPLPJDQIFML-VWLOTQADSA-N 0 0 478.505 0.958 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)CCNC(=O)C1CC1 ZINC001180849772 1068647280 /nfs/dbraw/zinc/64/72/80/1068647280.db2.gz KKSOZJHSTDJEKR-ROUUACIJSA-N 0 0 463.554 0.985 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)CCNC(=O)C3CC3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001180854707 1068647288 /nfs/dbraw/zinc/64/72/88/1068647288.db2.gz NSBKJTCSPWCHDU-HXUWFJFHSA-N 0 0 496.543 0.607 20 30 JCEDRN COCCN1C[C@@H](C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)CC1=O ZINC001180893858 1068650623 /nfs/dbraw/zinc/65/06/23/1068650623.db2.gz VNKWSNJONYPYSR-FHWLQOOXSA-N 0 0 493.580 0.564 20 30 JCEDRN COCCN1C[C@H](C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)CC1=O ZINC001180893859 1068650650 /nfs/dbraw/zinc/65/06/50/1068650650.db2.gz VNKWSNJONYPYSR-QYZOEREBSA-N 0 0 493.580 0.564 20 30 JCEDRN COCCN1C[C@@H](C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1=O ZINC001180894335 1068653462 /nfs/dbraw/zinc/65/34/62/1068653462.db2.gz VDWMFMXWEDHCCV-FDDCHVKYSA-N 0 0 456.499 0.014 20 30 JCEDRN COCCN1C[C@H](C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1=O ZINC001180894336 1068653360 /nfs/dbraw/zinc/65/33/60/1068653360.db2.gz VDWMFMXWEDHCCV-JPYJTQIMSA-N 0 0 456.499 0.014 20 30 JCEDRN COCCN1C[C@@H](C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1=O ZINC001180894337 1068653455 /nfs/dbraw/zinc/65/34/55/1068653455.db2.gz VDWMFMXWEDHCCV-MBSDFSHPSA-N 0 0 456.499 0.014 20 30 JCEDRN COCCN1C[C@H](C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1=O ZINC001180894338 1068653412 /nfs/dbraw/zinc/65/34/12/1068653412.db2.gz VDWMFMXWEDHCCV-WZONZLPQSA-N 0 0 456.499 0.014 20 30 JCEDRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001180980183 1068655487 /nfs/dbraw/zinc/65/54/87/1068655487.db2.gz GRZFKXIJJXUPAJ-AWEZNQCLSA-N 0 0 460.539 0.678 20 30 JCEDRN CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001180980645 1068655511 /nfs/dbraw/zinc/65/55/11/1068655511.db2.gz PSCFISPVIZTMJD-NHCUHLMSSA-N 0 0 498.559 0.996 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@H]3COCCO3)cn2n1 ZINC001181000721 1068656315 /nfs/dbraw/zinc/65/63/15/1068656315.db2.gz UJEGGUQMYFENSD-RBUKOAKNSA-N 0 0 497.556 0.305 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)C3COC3)cn2n1 ZINC001181003554 1068656247 /nfs/dbraw/zinc/65/62/47/1068656247.db2.gz HDPSETYVWDUDAW-SFHVURJKSA-N 0 0 467.530 0.536 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@@H]3COCCO3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181004606 1068656747 /nfs/dbraw/zinc/65/67/47/1068656747.db2.gz IFXUCTZITOWSGM-MOPGFXCFSA-N 0 0 471.489 0.106 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@H]3COCCO3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181004610 1068656704 /nfs/dbraw/zinc/65/67/04/1068656704.db2.gz IFXUCTZITOWSGM-RTBURBONSA-N 0 0 471.489 0.106 20 30 JCEDRN CN1C(=O)C[C@@H](C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)NC1=O ZINC001181129540 1068669810 /nfs/dbraw/zinc/66/98/10/1068669810.db2.gz JYRPZQJGAPJXCZ-JYJNAYRXSA-N 0 0 478.525 0.009 20 30 JCEDRN CN1C(=O)C[C@@H](C(=O)n2c(=N)c3c(N)nc(N4CCCC4)cc3c(C#N)c2N2CCCC2)NC1=O ZINC001181129812 1068670049 /nfs/dbraw/zinc/67/00/49/1068670049.db2.gz XLYZEYVMQBYKEX-HNNXBMFYSA-N 0 0 477.529 0.751 20 30 JCEDRN N#Cc1cc(CC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)ccc1F ZINC001181182670 1068674961 /nfs/dbraw/zinc/67/49/61/1068674961.db2.gz PMSGRZBSXHYZAM-PKOBYXMFSA-N 0 0 471.514 0.789 20 30 JCEDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC3)C1=O ZINC001181182971 1068675542 /nfs/dbraw/zinc/67/55/42/1068675542.db2.gz TYSVQEVOISBSCM-JOCHJYFZSA-N 0 0 462.547 0.972 20 30 JCEDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC3)C1=O ZINC001181182972 1068675525 /nfs/dbraw/zinc/67/55/25/1068675525.db2.gz TYSVQEVOISBSCM-QFIPXVFZSA-N 0 0 462.547 0.972 20 30 JCEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001181199909 1068675396 /nfs/dbraw/zinc/67/53/96/1068675396.db2.gz BMJHBQIZXUEDEK-VAMGGRTRSA-N 0 0 475.567 0.836 20 30 JCEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001181199912 1068675590 /nfs/dbraw/zinc/67/55/90/1068675590.db2.gz BMJHBQIZXUEDEK-XUVXKRRUSA-N 0 0 475.567 0.836 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)NCC(N)=O ZINC001181202381 1068675344 /nfs/dbraw/zinc/67/53/44/1068675344.db2.gz XHTHUGJWIXQTIA-OALUTQOASA-N 0 0 471.558 0.839 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cc1ccc(F)c(C#N)c1)C(N)=O ZINC001181206079 1068675580 /nfs/dbraw/zinc/67/55/80/1068675580.db2.gz ZEKVCHFQNVFRDD-ROUUACIJSA-N 0 0 479.578 0.610 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)Cc3ccnc(N)c3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181280410 1068678318 /nfs/dbraw/zinc/67/83/18/1068678318.db2.gz ZLUFZQBFKBZONW-HXUWFJFHSA-N 0 0 491.527 0.911 20 30 JCEDRN CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001181290005 1068678236 /nfs/dbraw/zinc/67/82/36/1068678236.db2.gz VUZWPUMSQRUDDK-UHFFFAOYSA-N 0 0 450.517 0.921 20 30 JCEDRN C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1)N1CCCC1=O ZINC001181312862 1068681471 /nfs/dbraw/zinc/68/14/71/1068681471.db2.gz VZAYKDGKLJYUQI-OXJNMPFZSA-N 0 0 496.543 0.702 20 30 JCEDRN CC(=O)N[C@@H](CC(F)(F)F)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001181332613 1068679183 /nfs/dbraw/zinc/67/91/83/1068679183.db2.gz SXGBVTYKVMVAMK-FXAWDEMLSA-N 0 0 468.432 0.976 20 30 JCEDRN CC(=O)N[C@@H](CC(F)(F)F)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001181332614 1068679306 /nfs/dbraw/zinc/67/93/06/1068679306.db2.gz SXGBVTYKVMVAMK-PXNSSMCTSA-N 0 0 468.432 0.976 20 30 JCEDRN CC(=O)N[C@H](CC(F)(F)F)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001181332615 1068679318 /nfs/dbraw/zinc/67/93/18/1068679318.db2.gz SXGBVTYKVMVAMK-XLIONFOSSA-N 0 0 468.432 0.976 20 30 JCEDRN CC(=O)N[C@H](CC(F)(F)F)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001181332616 1068679245 /nfs/dbraw/zinc/67/92/45/1068679245.db2.gz SXGBVTYKVMVAMK-YLJYHZDGSA-N 0 0 468.432 0.976 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)C[C@@H](C)O)cn2n1 ZINC001181352149 1068682823 /nfs/dbraw/zinc/68/28/23/1068682823.db2.gz ZVSZCVXIJMFKQD-AEFFLSMTSA-N 0 0 469.546 0.660 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)C[C@H](C)O)cn2n1 ZINC001181352150 1068682763 /nfs/dbraw/zinc/68/27/63/1068682763.db2.gz ZVSZCVXIJMFKQD-WMZOPIPTSA-N 0 0 469.546 0.660 20 30 JCEDRN COC(=O)CC(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001181387627 1068684579 /nfs/dbraw/zinc/68/45/79/1068684579.db2.gz GUEMWGXEXBBPSG-KRWDZBQOSA-N 0 0 483.529 0.452 20 30 JCEDRN COC(=O)CC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001181389403 1068687359 /nfs/dbraw/zinc/68/73/59/1068687359.db2.gz YZECLTQWPUKWSX-QGZVFWFLSA-N 0 0 457.462 0.254 20 30 JCEDRN CC(=O)OCC(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001181402741 1068689389 /nfs/dbraw/zinc/68/93/89/1068689389.db2.gz WQQGZTMQEUJNCG-SFHVURJKSA-N 0 0 483.529 0.452 20 30 JCEDRN CC(=O)OCC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001181406071 1068690559 /nfs/dbraw/zinc/69/05/59/1068690559.db2.gz GPAYZKRPVSBGDU-GOSISDBHSA-N 0 0 457.462 0.254 20 30 JCEDRN CCCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001181418051 1068685212 /nfs/dbraw/zinc/68/52/12/1068685212.db2.gz GLZNCZQYFIKQOZ-KRWDZBQOSA-N 0 0 473.559 0.659 20 30 JCEDRN CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C#N)C(N)=O ZINC001181428882 1068687340 /nfs/dbraw/zinc/68/73/40/1068687340.db2.gz HSZJUWIMSKHLKK-IAGOWNOFSA-N 0 0 470.530 0.992 20 30 JCEDRN CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C#N)C(N)=O ZINC001181428883 1068687320 /nfs/dbraw/zinc/68/73/20/1068687320.db2.gz HSZJUWIMSKHLKK-SJORKVTESA-N 0 0 470.530 0.992 20 30 JCEDRN CO[C@H](C)C(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001181459381 1068692183 /nfs/dbraw/zinc/69/21/83/1068692183.db2.gz MJPIOSRULVINCC-AEFFLSMTSA-N 0 0 469.546 0.924 20 30 JCEDRN COC(=O)[C@H]1C[C@H](C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)CCN1C(=O)OC(C)(C)C ZINC001181476143 1068696444 /nfs/dbraw/zinc/69/64/44/1068696444.db2.gz WUKOUIWWFKDTRH-BXUZGUMPSA-N 0 0 459.507 0.811 20 30 JCEDRN COC(=O)[C@@H]1C[C@@H](C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)CCN1C(=O)OC(C)(C)C ZINC001181476148 1068696256 /nfs/dbraw/zinc/69/62/56/1068696256.db2.gz WUKOUIWWFKDTRH-FZMZJTMJSA-N 0 0 459.507 0.811 20 30 JCEDRN COC(=O)[C@@H]1C[C@H](C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)CCN1C(=O)OC(C)(C)C ZINC001181476151 1068696352 /nfs/dbraw/zinc/69/63/52/1068696352.db2.gz WUKOUIWWFKDTRH-RISCZKNCSA-N 0 0 459.507 0.811 20 30 JCEDRN COC(=O)[C@H]1C[C@@H](C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)CCN1C(=O)OC(C)(C)C ZINC001181476154 1068696285 /nfs/dbraw/zinc/69/62/85/1068696285.db2.gz WUKOUIWWFKDTRH-SMDDNHRTSA-N 0 0 459.507 0.811 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H](C)C(C)C)C(=O)OCC ZINC001181512120 1068696437 /nfs/dbraw/zinc/69/64/37/1068696437.db2.gz MQHYYKVFUJWRAN-ILXRZTDVSA-N 0 0 461.581 0.201 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H](C)C(C)C)C(=O)OCC ZINC001181512121 1068696400 /nfs/dbraw/zinc/69/64/00/1068696400.db2.gz MQHYYKVFUJWRAN-KKUMJFAQSA-N 0 0 461.581 0.201 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)C3CC4(C3)OCCO4)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181512300 1068696426 /nfs/dbraw/zinc/69/64/26/1068696426.db2.gz MHKRHYDURPWWGA-HXUWFJFHSA-N 0 0 497.527 0.844 20 30 JCEDRN CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)COC1 ZINC001181518790 1068702119 /nfs/dbraw/zinc/70/21/19/1068702119.db2.gz PAPHLRYNSCEFPW-HSZRJFAPSA-N 0 0 486.525 0.813 20 30 JCEDRN CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)COC1 ZINC001181518791 1068702269 /nfs/dbraw/zinc/70/22/69/1068702269.db2.gz PAPHLRYNSCEFPW-QHCPKHFHSA-N 0 0 486.525 0.813 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)C3(O)CC3)cn2n1 ZINC001181530054 1068700102 /nfs/dbraw/zinc/70/01/02/1068700102.db2.gz RZNYLPWOPFIGTH-KRWDZBQOSA-N 0 0 467.530 0.414 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CC4CCS(=O)(=O)CC4)C3)OCC2=O)cc1 ZINC001181540110 1068700399 /nfs/dbraw/zinc/70/03/99/1068700399.db2.gz QWGNKMGCSWOOBM-JOCHJYFZSA-N 0 0 461.540 0.734 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CC4CCS(=O)(=O)CC4)C3)OCC2=O)cc1 ZINC001181540111 1068700359 /nfs/dbraw/zinc/70/03/59/1068700359.db2.gz QWGNKMGCSWOOBM-QFIPXVFZSA-N 0 0 461.540 0.734 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@@H]3CCO3)cn2n1 ZINC001181586968 1068705914 /nfs/dbraw/zinc/70/59/14/1068705914.db2.gz KCIYDYUARLTXEY-ROUUACIJSA-N 0 0 467.530 0.678 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@H]3CCO3)cn2n1 ZINC001181586974 1068705981 /nfs/dbraw/zinc/70/59/81/1068705981.db2.gz KCIYDYUARLTXEY-ZWKOTPCHSA-N 0 0 467.530 0.678 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181703151 1068710216 /nfs/dbraw/zinc/71/02/16/1068710216.db2.gz QCIPPCNCZGGPBW-MSOLQXFVSA-N 0 0 479.472 0.608 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181703155 1068710046 /nfs/dbraw/zinc/71/00/46/1068710046.db2.gz QCIPPCNCZGGPBW-QZTJIDSGSA-N 0 0 479.472 0.608 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@@H]3COC(C)(C)O3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181746724 1068711041 /nfs/dbraw/zinc/71/10/41/1068711041.db2.gz LYKGYKJUKYGSQM-MOPGFXCFSA-N 0 0 485.516 0.843 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@H]3COC(C)(C)O3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181746725 1068711144 /nfs/dbraw/zinc/71/11/44/1068711144.db2.gz LYKGYKJUKYGSQM-RTBURBONSA-N 0 0 485.516 0.843 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001181752219 1068711786 /nfs/dbraw/zinc/71/17/86/1068711786.db2.gz KFKKVRGNMIBDMF-QGZVFWFLSA-N 0 0 479.472 0.957 20 30 JCEDRN CCOC(=O)CC(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001181785710 1068712423 /nfs/dbraw/zinc/71/24/23/1068712423.db2.gz HAQRTHYHOGFNAE-SFHVURJKSA-N 0 0 497.556 0.843 20 30 JCEDRN CCOC(=O)CC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001181789771 1068712257 /nfs/dbraw/zinc/71/22/57/1068712257.db2.gz WFANDSTZIYXIKS-GOSISDBHSA-N 0 0 471.489 0.644 20 30 JCEDRN N#Cc1ccccc1CC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001181798328 1068712858 /nfs/dbraw/zinc/71/28/58/1068712858.db2.gz GEBZOMOPQDHVIY-RBUKOAKNSA-N 0 0 453.524 0.650 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cc1ccccc1C#N)C(N)=O ZINC001181806394 1068713359 /nfs/dbraw/zinc/71/33/59/1068713359.db2.gz ZBIPXSHGXQIYRG-ROUUACIJSA-N 0 0 461.588 0.471 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H](CC)CC(C)C)C(=O)OCC ZINC001181854096 1068715436 /nfs/dbraw/zinc/71/54/36/1068715436.db2.gz IPIVDURHBOYFBG-IKGGRYGDSA-N 0 0 489.635 0.981 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H](CC)CC(C)C)C(=O)OCC ZINC001181854097 1068715398 /nfs/dbraw/zinc/71/53/98/1068715398.db2.gz IPIVDURHBOYFBG-ULQDDVLXSA-N 0 0 489.635 0.981 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H]1CC1(CC)CC)C(=O)OCC ZINC001181886766 1068716458 /nfs/dbraw/zinc/71/64/58/1068716458.db2.gz AGFRYUFVLYETBM-JYJNAYRXSA-N 0 0 487.619 0.735 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1CC1(CC)CC)C(=O)OCC ZINC001181886768 1068716512 /nfs/dbraw/zinc/71/65/12/1068716512.db2.gz AGFRYUFVLYETBM-PMPSAXMXSA-N 0 0 487.619 0.735 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cn4nc(Cl)ccc4=O)C3)OCC2=O)cc1 ZINC001181891096 1068717074 /nfs/dbraw/zinc/71/70/74/1068717074.db2.gz KTTDLTQRWPXSPZ-NRFANRHFSA-N 0 0 457.874 0.429 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cn4nc(Cl)ccc4=O)C3)OCC2=O)cc1 ZINC001181891098 1068717056 /nfs/dbraw/zinc/71/70/56/1068717056.db2.gz KTTDLTQRWPXSPZ-OAQYLSRUSA-N 0 0 457.874 0.429 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)Cn1nc(Cl)ccc1=O ZINC001181892120 1068717065 /nfs/dbraw/zinc/71/70/65/1068717065.db2.gz HMVDDAHIJLACFL-HOTGVXAUSA-N 0 0 494.955 0.979 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1CC12CCCCC2)C(=O)OCC ZINC001181911474 1068718097 /nfs/dbraw/zinc/71/80/97/1068718097.db2.gz OCLRXZDAOBXCFE-IKGGRYGDSA-N 0 0 499.630 0.879 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H]1CC12CCCCC2)C(=O)OCC ZINC001181911475 1068717818 /nfs/dbraw/zinc/71/78/18/1068717818.db2.gz OCLRXZDAOBXCFE-ULQDDVLXSA-N 0 0 499.630 0.879 20 30 JCEDRN COc1ccc(C#CC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001182046480 1068722324 /nfs/dbraw/zinc/72/23/24/1068722324.db2.gz LMMXQRVEHRRSAC-VQTJNVASSA-N 0 0 468.535 0.596 20 30 JCEDRN COc1ccc(C#CC(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)cc1 ZINC001182046691 1068722606 /nfs/dbraw/zinc/72/26/06/1068722606.db2.gz SOUKLWLAYBCLND-HSZRJFAPSA-N 0 0 459.568 0.779 20 30 JCEDRN COc1ccc(C#CC(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)cc1 ZINC001182046693 1068723251 /nfs/dbraw/zinc/72/32/51/1068723251.db2.gz SOUKLWLAYBCLND-QHCPKHFHSA-N 0 0 459.568 0.779 20 30 JCEDRN COc1ccc(C#CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)cc1 ZINC001182050486 1068723118 /nfs/dbraw/zinc/72/31/18/1068723118.db2.gz GAOHYFMFLRANHW-OALUTQOASA-N 0 0 476.599 0.417 20 30 JCEDRN C[C@H]1C(=O)OC[C@H]1C(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001182079454 1068724752 /nfs/dbraw/zinc/72/47/52/1068724752.db2.gz KKDNDIUFWCZIOB-LTIDMASMSA-N 0 0 450.511 0.878 20 30 JCEDRN C[C@@H]1C(=O)OC[C@H]1C(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001182079462 1068724676 /nfs/dbraw/zinc/72/46/76/1068724676.db2.gz KKDNDIUFWCZIOB-LUKYLMHMSA-N 0 0 450.511 0.878 20 30 JCEDRN C[C@@H]1C(=O)OC[C@@H]1C(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001182079464 1068724797 /nfs/dbraw/zinc/72/47/97/1068724797.db2.gz KKDNDIUFWCZIOB-QAETUUGQSA-N 0 0 450.511 0.878 20 30 JCEDRN C[C@H]1C(=O)OC[C@@H]1C(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001182079465 1068724827 /nfs/dbraw/zinc/72/48/27/1068724827.db2.gz KKDNDIUFWCZIOB-QZWWFDLISA-N 0 0 450.511 0.878 20 30 JCEDRN C[C@@H]1C(=O)OC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001182087090 1068723244 /nfs/dbraw/zinc/72/32/44/1068723244.db2.gz GUVBFNBJJPIXLV-GDIGMMSISA-N 0 0 483.500 0.500 20 30 JCEDRN C[C@@H]1C(=O)OC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001182087092 1068723001 /nfs/dbraw/zinc/72/30/01/1068723001.db2.gz GUVBFNBJJPIXLV-KYNGSXCRSA-N 0 0 483.500 0.500 20 30 JCEDRN C[C@H]1C(=O)OC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001182087095 1068723263 /nfs/dbraw/zinc/72/32/63/1068723263.db2.gz GUVBFNBJJPIXLV-NIKGAXFTSA-N 0 0 483.500 0.500 20 30 JCEDRN C[C@H]1C(=O)OC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001182087098 1068723208 /nfs/dbraw/zinc/72/32/08/1068723208.db2.gz GUVBFNBJJPIXLV-ZMYBRWDISA-N 0 0 483.500 0.500 20 30 JCEDRN CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001182104339 1068730152 /nfs/dbraw/zinc/73/01/52/1068730152.db2.gz WIJXYWQOUUKMRA-ZDUSSCGKSA-N 0 0 464.552 0.343 20 30 JCEDRN CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001182105176 1068730668 /nfs/dbraw/zinc/73/06/68/1068730668.db2.gz OZIJDOKFHWNWFE-INIZCTEOSA-N 0 0 463.564 0.717 20 30 JCEDRN CC(=O)N[C@@H](CCO)C(=O)n1c(=N)c2c(N)nc(N3CCCC3)cc2c(C#N)c1N1CCCC1 ZINC001182108978 1068725517 /nfs/dbraw/zinc/72/55/17/1068725517.db2.gz QPPVJMHRZYBHOV-KRWDZBQOSA-N 0 0 466.546 0.697 20 30 JCEDRN CC(=O)N[C@H](CCO)C(=O)n1c(=N)c2c(N)nc(N3CCCC3)cc2c(C#N)c1N1CCCC1 ZINC001182108979 1068725490 /nfs/dbraw/zinc/72/54/90/1068725490.db2.gz QPPVJMHRZYBHOV-QGZVFWFLSA-N 0 0 466.546 0.697 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1nccnc1N1CCOCC1 ZINC001182145569 1068732012 /nfs/dbraw/zinc/73/20/12/1068732012.db2.gz JRQHKRNEHJYKAJ-KGLIPLIRSA-N 0 0 471.536 0.606 20 30 JCEDRN CN1CCN(c2cc(NC(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)ncn2)CC1 ZINC001182145895 1068732656 /nfs/dbraw/zinc/73/26/56/1068732656.db2.gz NBYDECXOZWXTDE-CABCVRRESA-N 0 0 484.579 0.521 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001182146271 1068732496 /nfs/dbraw/zinc/73/24/96/1068732496.db2.gz UYWGNTHLQQVYDL-CVEARBPZSA-N 0 0 498.558 0.847 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001182146396 1068732466 /nfs/dbraw/zinc/73/24/66/1068732466.db2.gz WDKIKNKVLXSMRJ-MNOVXSKESA-N 0 0 483.469 0.993 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001182146520 1068732524 /nfs/dbraw/zinc/73/25/24/1068732524.db2.gz ZORDAWVAMSEDJB-OWCLPIDISA-N 0 0 475.564 0.190 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001182146521 1068732545 /nfs/dbraw/zinc/73/25/45/1068732545.db2.gz ZORDAWVAMSEDJB-PMPSAXMXSA-N 0 0 475.564 0.190 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001182149484 1068732627 /nfs/dbraw/zinc/73/26/27/1068732627.db2.gz AFUNZORVFAHHFF-SKDRFNHKSA-N 0 0 451.465 0.095 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001182149496 1068732642 /nfs/dbraw/zinc/73/26/42/1068732642.db2.gz ALBSCTORZGJGDZ-IKGGRYGDSA-N 0 0 489.591 0.581 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001182149497 1068732681 /nfs/dbraw/zinc/73/26/81/1068732681.db2.gz ALBSCTORZGJGDZ-ZACQAIPSSA-N 0 0 489.591 0.581 20 30 JCEDRN CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)CCC2 ZINC001182149502 1068732694 /nfs/dbraw/zinc/73/26/94/1068732694.db2.gz AOAYRVLMQNYSBY-WBVHZDCISA-N 0 0 499.590 0.606 20 30 JCEDRN CN1CCN(c2ncc(NC(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)cn2)CC1 ZINC001182149529 1068732577 /nfs/dbraw/zinc/73/25/77/1068732577.db2.gz AVZFZPJUSWZHJH-CVEARBPZSA-N 0 0 484.579 0.521 20 30 JCEDRN COC[C@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)Cc2cn(C)nc21 ZINC001182149642 1068732709 /nfs/dbraw/zinc/73/27/09/1068732709.db2.gz DDWWEMRHEJKLHG-OAGGEKHMSA-N 0 0 472.564 0.847 20 30 JCEDRN COC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)Cc2cn(C)nc21 ZINC001182149644 1068732536 /nfs/dbraw/zinc/73/25/36/1068732536.db2.gz DDWWEMRHEJKLHG-XHSDSOJGSA-N 0 0 472.564 0.847 20 30 JCEDRN CCc1c(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)c(C(N)=O)nn1C ZINC001182149802 1068732516 /nfs/dbraw/zinc/73/25/16/1068732516.db2.gz FAAZLYYOKHKMNP-PWSUYJOCSA-N 0 0 459.525 0.374 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001182149869 1068732477 /nfs/dbraw/zinc/73/24/77/1068732477.db2.gz GETVAMYCLXQMLK-NDBYEHHHSA-N 0 0 460.471 0.970 20 30 JCEDRN CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)cn1 ZINC001182149893 1068733176 /nfs/dbraw/zinc/73/31/76/1068733176.db2.gz GQEGJHZALWUSRG-OLZOCXBDSA-N 0 0 458.493 0.946 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001182149917 1068733190 /nfs/dbraw/zinc/73/31/90/1068733190.db2.gz HEBWDPKTZOZWIF-YPMHNXCESA-N 0 0 464.522 0.022 20 30 JCEDRN CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)n(C)n1 ZINC001182150010 1068733203 /nfs/dbraw/zinc/73/32/03/1068733203.db2.gz INOSRBHJTVBSTR-YPMHNXCESA-N 0 0 460.509 0.890 20 30 JCEDRN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C[C@H]21 ZINC001182150139 1068733150 /nfs/dbraw/zinc/73/31/50/1068733150.db2.gz JCWUWMQNVCHFAI-OWYFMNJBSA-N 0 0 459.565 0.570 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001182150190 1068733136 /nfs/dbraw/zinc/73/31/36/1068733136.db2.gz KCSXXLOQBDUDKA-WCVJEAGWSA-N 0 0 495.620 0.223 20 30 JCEDRN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)CCO2 ZINC001182150211 1068732985 /nfs/dbraw/zinc/73/29/85/1068732985.db2.gz KRNKBLXICDFDLA-LLGFUMIMSA-N 0 0 489.591 0.581 20 30 JCEDRN CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)CCO2 ZINC001182150213 1068732997 /nfs/dbraw/zinc/73/29/97/1068732997.db2.gz KRNKBLXICDFDLA-WWMYMODYSA-N 0 0 489.591 0.581 20 30 JCEDRN Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H](OS(C)(=O)=O)CN4C(=O)OC(C)(C)C)C[C@@H]3C2=O)cn1 ZINC001182150245 1068733113 /nfs/dbraw/zinc/73/31/13/1068733113.db2.gz LAKKCVCCVZYROV-ORQFMDKSSA-N 0 0 497.574 0.196 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001182150282 1068733007 /nfs/dbraw/zinc/73/30/07/1068733007.db2.gz LMBDHKLGZSKYFT-SJORKVTESA-N 0 0 487.579 0.508 20 30 JCEDRN Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)C3)n1 ZINC001182150289 1068733027 /nfs/dbraw/zinc/73/30/27/1068733027.db2.gz LMLAPYBRSGJFEF-GXNBUGAJSA-N 0 0 486.547 0.459 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001182150510 1068733067 /nfs/dbraw/zinc/73/30/67/1068733067.db2.gz NPGXJLQXDCNKKU-TWMKSMIVSA-N 0 0 497.574 0.247 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001182150578 1068733161 /nfs/dbraw/zinc/73/31/61/1068733161.db2.gz OEYJJVIBLWGFIW-DISONHOPSA-N 0 0 474.576 0.993 20 30 JCEDRN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C[C@H]21 ZINC001182150580 1068733243 /nfs/dbraw/zinc/73/32/43/1068733243.db2.gz OGNTYHHPZBHKRT-UHDSXZAQSA-N 0 0 489.591 0.340 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001182150619 1068733252 /nfs/dbraw/zinc/73/32/52/1068733252.db2.gz OXKAMEXQWSHTMJ-SJORKVTESA-N 0 0 488.607 0.107 20 30 JCEDRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)cn1 ZINC001182150654 1068733278 /nfs/dbraw/zinc/73/32/78/1068733278.db2.gz PIZXFMMXNZEXGF-TWMKSMIVSA-N 0 0 497.574 0.481 20 30 JCEDRN CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C2 ZINC001182150665 1068733733 /nfs/dbraw/zinc/73/37/33/1068733733.db2.gz PNRIVFUCZQUOBK-OLZOCXBDSA-N 0 0 487.535 0.151 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001182150693 1068733716 /nfs/dbraw/zinc/73/37/16/1068733716.db2.gz PUHWZFLVRZFIFD-KGLIPLIRSA-N 0 0 475.487 0.765 20 30 JCEDRN CCOC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCC1=O ZINC001182150719 1068733692 /nfs/dbraw/zinc/73/36/92/1068733692.db2.gz PYGDIWKGGUBISG-ILXRZTDVSA-N 0 0 476.548 0.711 20 30 JCEDRN CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCC1=O ZINC001182150720 1068733680 /nfs/dbraw/zinc/73/36/80/1068733680.db2.gz PYGDIWKGGUBISG-KFWWJZLASA-N 0 0 476.548 0.711 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001182150744 1068733666 /nfs/dbraw/zinc/73/36/66/1068733666.db2.gz QJVYRLLOYSMAEA-TWMKSMIVSA-N 0 0 497.574 0.247 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001182150747 1068733644 /nfs/dbraw/zinc/73/36/44/1068733644.db2.gz QKNPRYOVHUOUQW-WZHMAMEKSA-N 0 0 471.576 0.954 20 30 JCEDRN CCOC(=O)c1ncncc1NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182150786 1068733614 /nfs/dbraw/zinc/73/36/14/1068733614.db2.gz QXUSBFNUHKXHKW-YPMHNXCESA-N 0 0 458.493 0.946 20 30 JCEDRN CSc1[nH]nc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)c1C(N)=O ZINC001182150797 1068733592 /nfs/dbraw/zinc/73/35/92/1068733592.db2.gz RNWWGHJYTLTVSK-BDAKNGLRSA-N 0 0 463.538 0.523 20 30 JCEDRN CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001182150802 1068733655 /nfs/dbraw/zinc/73/36/55/1068733655.db2.gz RTPKOFPJFKNIAX-CVEARBPZSA-N 0 0 476.596 0.009 20 30 JCEDRN COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182150813 1068733571 /nfs/dbraw/zinc/73/35/71/1068733571.db2.gz SAYLAKLTTMHZLA-PWSUYJOCSA-N 0 0 489.503 0.881 20 30 JCEDRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C2 ZINC001182150824 1068733633 /nfs/dbraw/zinc/73/36/33/1068733633.db2.gz SHNAFTZBXFTMNE-DXEZIKHYSA-N 0 0 490.575 0.911 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001182150828 1068733640 /nfs/dbraw/zinc/73/36/40/1068733640.db2.gz SJLLHUGSVDIWRY-NEPJUHHUSA-N 0 0 473.470 0.574 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001182150829 1068733674 /nfs/dbraw/zinc/73/36/74/1068733674.db2.gz SKGMJBCNNFZPKJ-KGLIPLIRSA-N 0 0 471.536 0.606 20 30 JCEDRN CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C2 ZINC001182150838 1068733748 /nfs/dbraw/zinc/73/37/48/1068733748.db2.gz SUIQWBLPFFFCFX-FMKPAKJESA-N 0 0 487.579 0.724 20 30 JCEDRN CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C2 ZINC001182150839 1068733621 /nfs/dbraw/zinc/73/36/21/1068733621.db2.gz SUIQWBLPFFFCFX-LZWOXQAQSA-N 0 0 487.579 0.724 20 30 JCEDRN CN(C)c1nc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)c(N=O)c(=O)[nH]1 ZINC001182150858 1068733702 /nfs/dbraw/zinc/73/37/02/1068733702.db2.gz UMHBOLWZEJWOPG-ZJUUUORDSA-N 0 0 474.496 0.939 20 30 JCEDRN Cc1nc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)cc(N2CCOCC2)n1 ZINC001182150973 1068733740 /nfs/dbraw/zinc/73/37/40/1068733740.db2.gz XKKOPAGTRLFFIW-CABCVRRESA-N 0 0 485.563 0.914 20 30 JCEDRN CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)cn1C ZINC001182150978 1068733726 /nfs/dbraw/zinc/73/37/26/1068733726.db2.gz XMULLNJDJSORAF-NEPJUHHUSA-N 0 0 460.509 0.890 20 30 JCEDRN COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)CC2 ZINC001182151111 1068734012 /nfs/dbraw/zinc/73/40/12/1068734012.db2.gz AIZUOTBRKJHROZ-OCCSQVGLSA-N 0 0 472.520 0.366 20 30 JCEDRN C[C@H]1CN(C2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001182151114 1068734215 /nfs/dbraw/zinc/73/42/15/1068734215.db2.gz AKTFMCXEOMRXAD-DIECFANBSA-N 0 0 461.581 0.661 20 30 JCEDRN C[C@@H]1CN(C2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001182151115 1068734103 /nfs/dbraw/zinc/73/41/03/1068734103.db2.gz AKTFMCXEOMRXAD-SRABZTEZSA-N 0 0 461.581 0.661 20 30 JCEDRN C[C@@H]1CN(C2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001182151116 1068734117 /nfs/dbraw/zinc/73/41/17/1068734117.db2.gz AKTFMCXEOMRXAD-WTTBNOFXSA-N 0 0 461.581 0.661 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001182151117 1068734092 /nfs/dbraw/zinc/73/40/92/1068734092.db2.gz ALFRHQZERLIVAO-OAGGEKHMSA-N 0 0 458.537 0.331 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001182151118 1068734234 /nfs/dbraw/zinc/73/42/34/1068734234.db2.gz ALFRHQZERLIVAO-XHSDSOJGSA-N 0 0 458.537 0.331 20 30 JCEDRN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCO1 ZINC001182151128 1068734191 /nfs/dbraw/zinc/73/41/91/1068734191.db2.gz ATLZFXFQMJTDRY-HZSPNIEDSA-N 0 0 450.510 0.131 20 30 JCEDRN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCO1 ZINC001182151129 1068734068 /nfs/dbraw/zinc/73/40/68/1068734068.db2.gz ATLZFXFQMJTDRY-RDBSUJKOSA-N 0 0 450.510 0.131 20 30 JCEDRN CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C2 ZINC001182151131 1068734152 /nfs/dbraw/zinc/73/41/52/1068734152.db2.gz AVKALAFFTVKISU-DOMZBBRYSA-N 0 0 486.547 0.793 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC001182151132 1068734202 /nfs/dbraw/zinc/73/42/02/1068734202.db2.gz AYLYSCZGBNYLHG-CABCVRRESA-N 0 0 455.537 0.479 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001182151198 1068734129 /nfs/dbraw/zinc/73/41/29/1068734129.db2.gz DRCZOADDKALFSM-CVEARBPZSA-N 0 0 463.597 0.646 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001182151219 1068734056 /nfs/dbraw/zinc/73/40/56/1068734056.db2.gz FNUJXOBHIARYIG-CVEARBPZSA-N 0 0 475.564 0.190 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N(c1cccc(N)c1)S(C)(=O)=O ZINC001182151223 1068733973 /nfs/dbraw/zinc/73/39/73/1068733973.db2.gz FQGMJYXABMZUAO-CABCVRRESA-N 0 0 477.561 0.916 20 30 JCEDRN CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151248 1068734182 /nfs/dbraw/zinc/73/41/82/1068734182.db2.gz HCVFZXUEKAXHAM-HZSPNIEDSA-N 0 0 450.510 0.131 20 30 JCEDRN CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151249 1068734225 /nfs/dbraw/zinc/73/42/25/1068734225.db2.gz HCVFZXUEKAXHAM-RDBSUJKOSA-N 0 0 450.510 0.131 20 30 JCEDRN CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001182151257 1068734045 /nfs/dbraw/zinc/73/40/45/1068734045.db2.gz HKORHGXZTIHWNY-CABCVRRESA-N 0 0 483.609 0.271 20 30 JCEDRN CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151265 1068733989 /nfs/dbraw/zinc/73/39/89/1068733989.db2.gz HUMCWVRAWIVMMT-INWMFGNUSA-N 0 0 486.547 0.753 20 30 JCEDRN CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151266 1068734163 /nfs/dbraw/zinc/73/41/63/1068734163.db2.gz HUMCWVRAWIVMMT-IVMMDQJWSA-N 0 0 486.547 0.753 20 30 JCEDRN COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C2)nc1 ZINC001182151302 1068734027 /nfs/dbraw/zinc/73/40/27/1068734027.db2.gz IXNZGOLZJJYYQA-FMKPAKJESA-N 0 0 486.547 0.819 20 30 JCEDRN COc1cnc(O[C@H]2CCN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C2)nc1 ZINC001182151303 1068734560 /nfs/dbraw/zinc/73/45/60/1068734560.db2.gz IXNZGOLZJJYYQA-LZWOXQAQSA-N 0 0 486.547 0.819 20 30 JCEDRN CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)CC[C@H]21 ZINC001182151333 1068734677 /nfs/dbraw/zinc/73/46/77/1068734677.db2.gz KGEGSEKLDXXRQV-FPCVCCKLSA-N 0 0 459.565 0.810 20 30 JCEDRN CN1C(=O)CC[C@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001182151334 1068734605 /nfs/dbraw/zinc/73/46/05/1068734605.db2.gz KGEGSEKLDXXRQV-FZKCQIBNSA-N 0 0 459.565 0.810 20 30 JCEDRN CN1C(=O)CC[C@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)CC[C@H]21 ZINC001182151335 1068734688 /nfs/dbraw/zinc/73/46/88/1068734688.db2.gz KGEGSEKLDXXRQV-JJXSEGSLSA-N 0 0 459.565 0.810 20 30 JCEDRN CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001182151336 1068734547 /nfs/dbraw/zinc/73/45/47/1068734547.db2.gz KGEGSEKLDXXRQV-WCVJEAGWSA-N 0 0 459.565 0.810 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(c2ncccc2N)CC1 ZINC001182151368 1068734698 /nfs/dbraw/zinc/73/46/98/1068734698.db2.gz LJXRNSAJXXFYHB-ZBFHGGJFSA-N 0 0 469.564 0.667 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1cc(N)ccc1OCCO ZINC001182151376 1068734772 /nfs/dbraw/zinc/73/47/72/1068734772.db2.gz LVWUHNRWJMHNDU-HIFRSBDPSA-N 0 0 459.521 0.933 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC(N2CCOC(C)(C)C2)C1 ZINC001182151382 1068734615 /nfs/dbraw/zinc/73/46/15/1068734615.db2.gz MGAHGIKORUGZMP-CVEARBPZSA-N 0 0 461.581 0.662 20 30 JCEDRN COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151388 1068734535 /nfs/dbraw/zinc/73/45/35/1068734535.db2.gz MODMYDIQAUICJZ-FHSNZYRGSA-N 0 0 450.510 0.131 20 30 JCEDRN COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151389 1068734622 /nfs/dbraw/zinc/73/46/22/1068734622.db2.gz MODMYDIQAUICJZ-VBHSOAQHSA-N 0 0 450.510 0.131 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001182151439 1068734716 /nfs/dbraw/zinc/73/47/16/1068734716.db2.gz OGJXJNQSNKWNMP-ZBFHGGJFSA-N 0 0 480.547 0.351 20 30 JCEDRN COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151442 1068734658 /nfs/dbraw/zinc/73/46/58/1068734658.db2.gz OKYWMRIEVLLCOF-KFWWJZLASA-N 0 0 464.537 0.521 20 30 JCEDRN COC(=O)CC[C@H]1COCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151443 1068734576 /nfs/dbraw/zinc/73/45/76/1068734576.db2.gz OKYWMRIEVLLCOF-ZNMIVQPWSA-N 0 0 464.537 0.521 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001182151448 1068734647 /nfs/dbraw/zinc/73/46/47/1068734647.db2.gz OVUWDCOWZKOSGX-TWMKSMIVSA-N 0 0 479.571 0.612 20 30 JCEDRN CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)c1 ZINC001182151449 1068734751 /nfs/dbraw/zinc/73/47/51/1068734751.db2.gz OVYXHXJUSAXKJK-RISCZKNCSA-N 0 0 493.560 0.593 20 30 JCEDRN CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151463 1068734745 /nfs/dbraw/zinc/73/47/45/1068734745.db2.gz PJTNXTVXKLNVGA-IJEWVQPXSA-N 0 0 486.547 0.753 20 30 JCEDRN CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151464 1068734568 /nfs/dbraw/zinc/73/45/68/1068734568.db2.gz PJTNXTVXKLNVGA-YCPHGPKFSA-N 0 0 486.547 0.753 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001182151469 1068734633 /nfs/dbraw/zinc/73/46/33/1068734633.db2.gz PPKWPKFQHWIQDX-YGRLFVJLSA-N 0 0 478.549 0.209 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001182151496 1068735095 /nfs/dbraw/zinc/73/50/95/1068735095.db2.gz QXAKIBNQMNVJKW-KGLIPLIRSA-N 0 0 473.548 0.386 20 30 JCEDRN CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)C1 ZINC001182151512 1068735152 /nfs/dbraw/zinc/73/51/52/1068735152.db2.gz RLLVBUCLDQAAJG-OAGGEKHMSA-N 0 0 477.580 0.484 20 30 JCEDRN CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)C1 ZINC001182151513 1068735102 /nfs/dbraw/zinc/73/51/02/1068735102.db2.gz RLLVBUCLDQAAJG-XHSDSOJGSA-N 0 0 477.580 0.484 20 30 JCEDRN CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC001182151530 1068735142 /nfs/dbraw/zinc/73/51/42/1068735142.db2.gz SDYRDBXDKBIENK-KGLIPLIRSA-N 0 0 454.567 0.376 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001182151555 1068735118 /nfs/dbraw/zinc/73/51/18/1068735118.db2.gz UMICGQOOFULJNV-SJORKVTESA-N 0 0 489.591 0.627 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001182151565 1068735133 /nfs/dbraw/zinc/73/51/33/1068735133.db2.gz USFZSKAQKDYOCL-SJORKVTESA-N 0 0 482.559 0.916 20 30 JCEDRN COC(=O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCO1 ZINC001182151584 1068735108 /nfs/dbraw/zinc/73/51/08/1068735108.db2.gz UZHCNYAVDVUNOK-MCIONIFRSA-N 0 0 450.510 0.131 20 30 JCEDRN COC(=O)C[C@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCO1 ZINC001182151585 1068735158 /nfs/dbraw/zinc/73/51/58/1068735158.db2.gz UZHCNYAVDVUNOK-MJBXVCDLSA-N 0 0 450.510 0.131 20 30 JCEDRN CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)C1 ZINC001182151618 1068735050 /nfs/dbraw/zinc/73/50/50/1068735050.db2.gz VTDAEUIQUBLAIB-KFWWJZLASA-N 0 0 462.569 0.603 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001182151625 1068735166 /nfs/dbraw/zinc/73/51/66/1068735166.db2.gz VWOZSPZJLUSBIC-KGLIPLIRSA-N 0 0 459.521 0.646 20 30 JCEDRN Cn1cnnc1C1CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001182151711 1068735081 /nfs/dbraw/zinc/73/50/81/1068735081.db2.gz WLFGVJXCKXHRSJ-CABCVRRESA-N 0 0 457.553 0.875 20 30 JCEDRN Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)CC2)n1 ZINC001182151712 1068735092 /nfs/dbraw/zinc/73/50/92/1068735092.db2.gz WMMOOEBSZPQLOL-CVEARBPZSA-N 0 0 469.564 0.788 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001182151727 1068735062 /nfs/dbraw/zinc/73/50/62/1068735062.db2.gz WWWCQKMCZOGKTF-SJORKVTESA-N 0 0 482.559 0.720 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001182151737 1068735066 /nfs/dbraw/zinc/73/50/66/1068735066.db2.gz XFOJENGQGFCQLS-CABCVRRESA-N 0 0 471.536 0.185 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001182151745 1068735088 /nfs/dbraw/zinc/73/50/88/1068735088.db2.gz XTHUFKPHBVPIED-KGLIPLIRSA-N 0 0 461.537 0.832 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001182151769 1068735042 /nfs/dbraw/zinc/73/50/42/1068735042.db2.gz YYIWGACAHJOCHH-MFKMUULPSA-N 0 0 458.493 0.127 20 30 JCEDRN COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)CC2)ncn1 ZINC001182151789 1068735057 /nfs/dbraw/zinc/73/50/57/1068735057.db2.gz ZSYXTSDIYQRAKE-CABCVRRESA-N 0 0 485.563 0.488 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001182158463 1068735669 /nfs/dbraw/zinc/73/56/69/1068735669.db2.gz AHXCFLNYDVKOBP-CVEARBPZSA-N 0 0 473.523 0.912 20 30 JCEDRN CC(=O)OCN1CCC(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001182158525 1068735655 /nfs/dbraw/zinc/73/56/55/1068735655.db2.gz BJFISGBMZKCHDB-CVEARBPZSA-N 0 0 463.553 0.442 20 30 JCEDRN CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182158531 1068735565 /nfs/dbraw/zinc/73/55/65/1068735565.db2.gz BUEPNTFEFCKOEA-AGIUHOORSA-N 0 0 452.526 0.159 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001182158541 1068735592 /nfs/dbraw/zinc/73/55/92/1068735592.db2.gz CBBBCPZGQHIPDW-OLZOCXBDSA-N 0 0 458.489 0.751 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001182158572 1068736156 /nfs/dbraw/zinc/73/61/56/1068736156.db2.gz CUUBMIIKCFEJFJ-ZACQAIPSSA-N 0 0 482.559 0.767 20 30 JCEDRN COCCC1(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 ZINC001182158573 1068736149 /nfs/dbraw/zinc/73/61/49/1068736149.db2.gz CVVOKEDIDLSUBC-CABCVRRESA-N 0 0 498.620 0.441 20 30 JCEDRN CSc1nc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)cc(=O)n1C ZINC001182158575 1068736055 /nfs/dbraw/zinc/73/60/55/1068736055.db2.gz DBUPPOPDBDOMKS-MNOVXSKESA-N 0 0 462.550 0.795 20 30 JCEDRN CCOC(=O)/C=C(/NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)OCC ZINC001182158690 1068736080 /nfs/dbraw/zinc/73/60/80/1068736080.db2.gz FBPDVPRIZLQSLW-IJEMZBSNSA-N 0 0 450.510 0.898 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCCOc1ccccc1C(N)=O ZINC001182158729 1068736107 /nfs/dbraw/zinc/73/61/07/1068736107.db2.gz GHMCDQYYSFSLBM-HIFRSBDPSA-N 0 0 471.532 0.635 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182158802 1068736016 /nfs/dbraw/zinc/73/60/16/1068736016.db2.gz HURLNTRJXWHMLH-NEPJUHHUSA-N 0 0 457.465 0.662 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C(=O)N1CCOCC1 ZINC001182158808 1068736141 /nfs/dbraw/zinc/73/61/41/1068736141.db2.gz HZTKRAYUAXZOHX-PMPSAXMXSA-N 0 0 477.580 0.340 20 30 JCEDRN COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001182158810 1068736002 /nfs/dbraw/zinc/73/60/02/1068736002.db2.gz ICIUMMSYFOXJAB-FPCVCCKLSA-N 0 0 477.580 0.531 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1ncc(Br)[nH]c1=O ZINC001182158882 1068736091 /nfs/dbraw/zinc/73/60/91/1068736091.db2.gz ISDDYLVDAXNLCX-BDAKNGLRSA-N 0 0 481.325 0.825 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001182158886 1068736174 /nfs/dbraw/zinc/73/61/74/1068736174.db2.gz IYENFQSYPLNUEK-KBMXLJTQSA-N 0 0 453.517 0.828 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001182158887 1068736116 /nfs/dbraw/zinc/73/61/16/1068736116.db2.gz IYENFQSYPLNUEK-VNQPRFMTSA-N 0 0 453.517 0.828 20 30 JCEDRN COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182158897 1068736123 /nfs/dbraw/zinc/73/61/23/1068736123.db2.gz JOWLMIRPPJNXMU-OAGGEKHMSA-N 0 0 471.532 0.636 20 30 JCEDRN CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182158901 1068736134 /nfs/dbraw/zinc/73/61/34/1068736134.db2.gz JQVJCVCCKZNYLL-KBXIAJHMSA-N 0 0 464.537 0.425 20 30 JCEDRN Cn1ncc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)c(Br)c1=O ZINC001182158911 1068736028 /nfs/dbraw/zinc/73/60/28/1068736028.db2.gz KESLMWXTWHWUIZ-KOLCDFICSA-N 0 0 495.352 0.836 20 30 JCEDRN COCCOc1nccc(CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)n1 ZINC001182158929 1068736064 /nfs/dbraw/zinc/73/60/64/1068736064.db2.gz KSOLPDJRJZFGNI-CABCVRRESA-N 0 0 474.536 0.472 20 30 JCEDRN COCCOCCOCCOCCNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182158974 1068735978 /nfs/dbraw/zinc/73/59/78/1068735978.db2.gz MGKPKSQHCVZMKU-SJORKVTESA-N 0 0 498.595 0.153 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCCNC(=O)c1cccs1 ZINC001182158989 1068736166 /nfs/dbraw/zinc/73/61/66/1068736166.db2.gz MVHVQAHHLSVRKT-OLZOCXBDSA-N 0 0 461.562 0.948 20 30 JCEDRN COC(=O)CC1(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCOCC1 ZINC001182159001 1068735993 /nfs/dbraw/zinc/73/59/93/1068735993.db2.gz NGQOURYKFZCALK-KGLIPLIRSA-N 0 0 464.537 0.569 20 30 JCEDRN COC(=O)c1cncc(CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)c1 ZINC001182159077 1068736040 /nfs/dbraw/zinc/73/60/40/1068736040.db2.gz OQQCSMGABYDGDA-CABCVRRESA-N 0 0 457.505 0.839 20 30 JCEDRN COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182159103 1068736523 /nfs/dbraw/zinc/73/65/23/1068736523.db2.gz PDKUYVQHWVUBEG-PMPSAXMXSA-N 0 0 488.563 0.365 20 30 JCEDRN COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)cc1 ZINC001182159130 1068736581 /nfs/dbraw/zinc/73/65/81/1068736581.db2.gz PUWCHCAWCLZLIN-IKGGRYGDSA-N 0 0 486.543 0.977 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001182159208 1068736641 /nfs/dbraw/zinc/73/66/41/1068736641.db2.gz RWLMEPFURUNQPT-SFYZADRCSA-N 0 0 458.453 0.008 20 30 JCEDRN COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182159242 1068736673 /nfs/dbraw/zinc/73/66/73/1068736673.db2.gz TWLOATLHTAAAMK-ZJUUUORDSA-N 0 0 460.465 0.262 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001182159259 1068736494 /nfs/dbraw/zinc/73/64/94/1068736494.db2.gz UJCQPPOOIKHGCR-CABCVRRESA-N 0 0 483.609 0.128 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001182159270 1068736624 /nfs/dbraw/zinc/73/66/24/1068736624.db2.gz UUNMZPQKUKEJDB-CVEARBPZSA-N 0 0 497.574 0.972 20 30 JCEDRN CCOC(=O)c1c[nH]nc1CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182159272 1068736655 /nfs/dbraw/zinc/73/66/55/1068736655.db2.gz UXUIWCJSNNRJFS-RISCZKNCSA-N 0 0 460.509 0.557 20 30 JCEDRN COCC1(CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCOCC1 ZINC001182159294 1068736733 /nfs/dbraw/zinc/73/67/33/1068736733.db2.gz VILQCTNCRHBYPX-CABCVRRESA-N 0 0 450.554 0.900 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)CC1=C([O-])NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001182159316 1068736691 /nfs/dbraw/zinc/73/66/91/1068736691.db2.gz VRKZVHJHVJYQIM-KGLIPLIRSA-N 0 0 454.505 0.372 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NC(=N)n1nnc2ccccc21 ZINC001182159384 1068736568 /nfs/dbraw/zinc/73/65/68/1068736568.db2.gz XFXJKUHKVUNWCZ-RISCZKNCSA-N 0 0 452.493 0.685 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCc1ccccc1-n1cnnn1 ZINC001182159404 1068736632 /nfs/dbraw/zinc/73/66/32/1068736632.db2.gz XRHLFQNGZLVTCX-ZBFHGGJFSA-N 0 0 466.520 0.633 20 30 JCEDRN COC(=O)[C@](C)(NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C(F)(F)F ZINC001182159418 1068736481 /nfs/dbraw/zinc/73/64/81/1068736481.db2.gz YCHHGPBSBMPEAA-FTGAXOIBSA-N 0 0 462.443 0.951 20 30 JCEDRN COC(=O)[C@@](C)(NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C)C(F)(F)F ZINC001182159420 1068736741 /nfs/dbraw/zinc/73/67/41/1068736741.db2.gz YCHHGPBSBMPEAA-HFBDOXOYSA-N 0 0 462.443 0.951 20 30 JCEDRN COc1cccc(CNC(=O)CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)c1 ZINC001182159473 1068736753 /nfs/dbraw/zinc/73/67/53/1068736753.db2.gz ZABCZTHWQGGVHH-SJORKVTESA-N 0 0 485.559 0.782 20 30 JCEDRN CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182159475 1068736591 /nfs/dbraw/zinc/73/65/91/1068736591.db2.gz ZIRMDILNDOQWRX-ILXRZTDVSA-N 0 0 474.536 0.354 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)CC1CC(=O)NC(=O)C1 ZINC001182169069 1068737265 /nfs/dbraw/zinc/73/72/65/1068737265.db2.gz VQHMJXNIBHQKGE-IRXDYDNUSA-N 0 0 477.537 0.512 20 30 JCEDRN C#CCCCCCCCCC(=O)n1c(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3OC)c2nc1=N ZINC001182185631 1068737754 /nfs/dbraw/zinc/73/77/54/1068737754.db2.gz KRCXBXOSQFRCTL-HAXDFEGKSA-N 0 0 460.535 0.954 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1C[C@@H]1C(F)(F)F)C(=O)OCC ZINC001182326878 1068746597 /nfs/dbraw/zinc/74/65/97/1068746597.db2.gz PHHVDVMNPIQGKQ-CYDGBPFRSA-N 0 0 499.508 0.107 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)C(=O)OCC ZINC001182326879 1068746466 /nfs/dbraw/zinc/74/64/66/1068746466.db2.gz PHHVDVMNPIQGKQ-NDBYEHHHSA-N 0 0 499.508 0.107 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1C[C@H]1C(F)(F)F)C(=O)OCC ZINC001182326880 1068746556 /nfs/dbraw/zinc/74/65/56/1068746556.db2.gz PHHVDVMNPIQGKQ-RNJOBUHISA-N 0 0 499.508 0.107 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H]1C[C@@H]1C(F)(F)F)C(=O)OCC ZINC001182326881 1068746526 /nfs/dbraw/zinc/74/65/26/1068746526.db2.gz PHHVDVMNPIQGKQ-VOAKCMCISA-N 0 0 499.508 0.107 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)CCc2cccc(C#N)c2)[C@H]1O ZINC001182344088 1068746504 /nfs/dbraw/zinc/74/65/04/1068746504.db2.gz YCMSPQWGBYDWNN-YDVTWLGESA-N 0 0 451.487 0.132 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCc1cccc(C#N)c1)C(N)=O ZINC001182344111 1068746563 /nfs/dbraw/zinc/74/65/63/1068746563.db2.gz YPTJUKGABURZSQ-OALUTQOASA-N 0 0 475.615 0.861 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@H]3C[C@@H]3C(N)=O)cn2n1 ZINC001182373790 1068748176 /nfs/dbraw/zinc/74/81/76/1068748176.db2.gz FDPBIQPXGNTWSX-BZSNNMDCSA-N 0 0 494.556 0.011 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@H]3C[C@H]3C(N)=O)cn2n1 ZINC001182373791 1068748945 /nfs/dbraw/zinc/74/89/45/1068748945.db2.gz FDPBIQPXGNTWSX-KSZLIROESA-N 0 0 494.556 0.011 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@@H]3C[C@@H]3C(N)=O)cn2n1 ZINC001182373792 1068748756 /nfs/dbraw/zinc/74/87/56/1068748756.db2.gz FDPBIQPXGNTWSX-OKZBNKHCSA-N 0 0 494.556 0.011 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@@H]3C[C@H]3C(N)=O)cn2n1 ZINC001182373793 1068748901 /nfs/dbraw/zinc/74/89/01/1068748901.db2.gz FDPBIQPXGNTWSX-RCCFBDPRSA-N 0 0 494.556 0.011 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@H]4CC(=O)N(CC5CC5)C4)C3)OCC2=O)cc1 ZINC001182454713 1068752688 /nfs/dbraw/zinc/75/26/88/1068752688.db2.gz JQTKKXIIVIRULX-CYFREDJKSA-N 0 0 452.511 0.778 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@@H]4CC(=O)N(CC5CC5)C4)C3)OCC2=O)cc1 ZINC001182454717 1068752642 /nfs/dbraw/zinc/75/26/42/1068752642.db2.gz JQTKKXIIVIRULX-DVECYGJZSA-N 0 0 452.511 0.778 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@@H]4CC(=O)N(CC5CC5)C4)C3)OCC2=O)cc1 ZINC001182454719 1068752764 /nfs/dbraw/zinc/75/27/64/1068752764.db2.gz JQTKKXIIVIRULX-NTKDMRAZSA-N 0 0 452.511 0.778 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@H]4CC(=O)N(CC5CC5)C4)C3)OCC2=O)cc1 ZINC001182454722 1068752774 /nfs/dbraw/zinc/75/27/74/1068752774.db2.gz JQTKKXIIVIRULX-YADARESESA-N 0 0 452.511 0.778 20 30 JCEDRN N#Cc1ccc(N2CCC(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)CC2)c(F)c1 ZINC001182501699 1068753909 /nfs/dbraw/zinc/75/39/09/1068753909.db2.gz FMPDWALZRDPANR-PMACEKPBSA-N 0 0 450.536 0.216 20 30 JCEDRN N#Cc1ccc(N2CCC(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)CC2)c(F)c1 ZINC001182501705 1068753973 /nfs/dbraw/zinc/75/39/73/1068753973.db2.gz FMPDWALZRDPANR-UXHICEINSA-N 0 0 450.536 0.216 20 30 JCEDRN N#Cc1ccc(N2CCC(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)CC2)c(F)c1 ZINC001182501708 1068753898 /nfs/dbraw/zinc/75/38/98/1068753898.db2.gz FMPDWALZRDPANR-VQTJNVASSA-N 0 0 450.536 0.216 20 30 JCEDRN N#Cc1ccc(N2CCC(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)CC2)c(F)c1 ZINC001182501712 1068753788 /nfs/dbraw/zinc/75/37/88/1068753788.db2.gz FMPDWALZRDPANR-WOJBJXKFSA-N 0 0 450.536 0.216 20 30 JCEDRN CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)CC(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001182574346 1068763113 /nfs/dbraw/zinc/76/31/13/1068763113.db2.gz PTLRZFICTHKDKJ-UHFFFAOYSA-N 0 0 475.550 0.608 20 30 JCEDRN CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001182577483 1068763636 /nfs/dbraw/zinc/76/36/36/1068763636.db2.gz MQPUMGDGKVLXQM-UHFFFAOYSA-N 0 0 474.562 0.982 20 30 JCEDRN N#Cc1cccc2[nH]cc(CC(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)c21 ZINC001182581169 1068764236 /nfs/dbraw/zinc/76/42/36/1068764236.db2.gz JUMUDYKFAHAMAX-NLWGTHIKSA-N 0 0 470.551 0.703 20 30 JCEDRN N#Cc1cccc2[nH]cc(CC(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)c21 ZINC001182581170 1068764889 /nfs/dbraw/zinc/76/48/89/1068764889.db2.gz JUMUDYKFAHAMAX-QWFCFKBJSA-N 0 0 470.551 0.703 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1c[nH]c2cccc(C#N)c12)C(=O)NCC(N)=O ZINC001182581911 1068764828 /nfs/dbraw/zinc/76/48/28/1068764828.db2.gz VRNIDWIYYQBXEV-OALUTQOASA-N 0 0 466.542 0.705 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)C3(N(C)C)CC3)cn2n1 ZINC001182597814 1068760973 /nfs/dbraw/zinc/76/09/73/1068760973.db2.gz PERIGKCDVJGCOM-IBGZPJMESA-N 0 0 494.600 0.984 20 30 JCEDRN CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182628935 1068765777 /nfs/dbraw/zinc/76/57/77/1068765777.db2.gz UQENXEVXIXCCMW-FDDCHVKYSA-N 0 0 474.514 0.405 20 30 JCEDRN CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182628936 1068765835 /nfs/dbraw/zinc/76/58/35/1068765835.db2.gz UQENXEVXIXCCMW-MBSDFSHPSA-N 0 0 474.514 0.405 20 30 JCEDRN C#CC(C)(C)C(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001182638249 1068766850 /nfs/dbraw/zinc/76/68/50/1068766850.db2.gz MFXJHHVTBURKAM-WGQQHEPDSA-N 0 0 480.525 0.255 20 30 JCEDRN C#CC(C)(C)C(=O)N[C@H](C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C ZINC001182639041 1068766873 /nfs/dbraw/zinc/76/68/73/1068766873.db2.gz VFTZDWUPJPLEOS-OALUTQOASA-N 0 0 473.574 0.615 20 30 JCEDRN C#CC(C)(C)C(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001182641537 1068768874 /nfs/dbraw/zinc/76/88/74/1068768874.db2.gz MAPJKUKXNJMRBP-NXWXRZEISA-N 0 0 455.467 0.517 20 30 JCEDRN C#CC(C)(C)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001182641882 1068768750 /nfs/dbraw/zinc/76/87/50/1068768750.db2.gz VUGOYDWQPPHIBD-OVWQWFNUSA-N 0 0 465.620 0.628 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@H]3C[C@H](O)C3)cn2n1 ZINC001182642355 1068768987 /nfs/dbraw/zinc/76/89/87/1068768987.db2.gz BVYYPQLVPXUGJJ-WDSOQIARSA-N 0 0 481.557 0.660 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@H]3C[C@H](O)C3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001182647799 1068769576 /nfs/dbraw/zinc/76/95/76/1068769576.db2.gz LAWTWPZVPFXCKY-ATZDWAIDSA-N 0 0 455.490 0.462 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)C(=O)C3CC3)cn2n1 ZINC001182668488 1068768821 /nfs/dbraw/zinc/76/88/21/1068768821.db2.gz DFAOFENBLJFOKY-SFHVURJKSA-N 0 0 479.541 0.868 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)C(=O)C3CC3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001182672130 1068768972 /nfs/dbraw/zinc/76/89/72/1068768972.db2.gz XOTROSVWTNYBJP-GOSISDBHSA-N 0 0 453.474 0.670 20 30 JCEDRN CC(C)(C)OC(=O)N[C@H](CO)CC(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182690927 1068771196 /nfs/dbraw/zinc/77/11/96/1068771196.db2.gz PFGZGURJFDUTRL-MHECFPHRSA-N 0 0 488.541 0.795 20 30 JCEDRN CC(C)(C)OC(=O)N[C@H](CO)CC(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182690928 1068771331 /nfs/dbraw/zinc/77/13/31/1068771331.db2.gz PFGZGURJFDUTRL-UUOWRZLLSA-N 0 0 488.541 0.795 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)CCC3OCCO3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001182732923 1068773623 /nfs/dbraw/zinc/77/36/23/1068773623.db2.gz VDICUUZXOOQUAT-LJQANCHMSA-N 0 0 485.516 0.844 20 30 JCEDRN CC#CCCCCCCCC(=O)n1c(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3OC)c2nc1=N ZINC001182767505 1068774417 /nfs/dbraw/zinc/77/44/17/1068774417.db2.gz WYPYSUAOERNHSS-HAXDFEGKSA-N 0 0 460.535 0.954 20 30 JCEDRN C[C@@H](C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO)c1ccc(C#N)cc1 ZINC001182801103 1068774025 /nfs/dbraw/zinc/77/40/25/1068774025.db2.gz YHHMGBUFBRQEDF-HPVRDNGYSA-N 0 0 451.487 0.303 20 30 JCEDRN C[C@H](C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO)c1ccc(C#N)cc1 ZINC001182801105 1068773944 /nfs/dbraw/zinc/77/39/44/1068773944.db2.gz YHHMGBUFBRQEDF-WYNYLTBHSA-N 0 0 451.487 0.303 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)C2CS(=O)(=O)C2)c1N1CCCC1 ZINC001182811049 1068775635 /nfs/dbraw/zinc/77/56/35/1068775635.db2.gz RQCCLWIXEVUESA-UHFFFAOYSA-N 0 0 455.544 0.855 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)C1CS(=O)(=O)C1 ZINC001182813760 1068776469 /nfs/dbraw/zinc/77/64/69/1068776469.db2.gz ULTOQPCTHNYTSR-HOTGVXAUSA-N 0 0 456.540 0.113 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCCN(CC#N)C1 ZINC001182822121 1068776970 /nfs/dbraw/zinc/77/69/70/1068776970.db2.gz FSWMWIWUYGUKDJ-AEFFLSMTSA-N 0 0 456.590 0.120 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC001182822123 1068776940 /nfs/dbraw/zinc/77/69/40/1068776940.db2.gz FSWMWIWUYGUKDJ-FUHWJXTLSA-N 0 0 456.590 0.120 20 30 JCEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCCN(CC#N)C1 ZINC001182822125 1068776979 /nfs/dbraw/zinc/77/69/79/1068776979.db2.gz FSWMWIWUYGUKDJ-SJLPKXTDSA-N 0 0 456.590 0.120 20 30 JCEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC001182822127 1068776892 /nfs/dbraw/zinc/77/68/92/1068776892.db2.gz FSWMWIWUYGUKDJ-WMZOPIPTSA-N 0 0 456.590 0.120 20 30 JCEDRN CN(CC(=O)n1c(=N)c2c(N)nc(N3CCCC3)cc2c(C#N)c1N1CCCC1)S(C)(=O)=O ZINC001182876294 1068783938 /nfs/dbraw/zinc/78/39/38/1068783938.db2.gz UGWTTYIGLQOCBT-UHFFFAOYSA-N 0 0 472.575 0.702 20 30 JCEDRN CN1CCN(C(=O)Cc2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)CC1 ZINC001182903126 1068785996 /nfs/dbraw/zinc/78/59/96/1068785996.db2.gz UKPRRHQTSQMULL-UHFFFAOYSA-N 0 0 455.540 0.792 20 30 JCEDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)COc2ccc(C#N)cc2)CC3)C1=O ZINC001182912609 1068786151 /nfs/dbraw/zinc/78/61/51/1068786151.db2.gz BADDUMSHYUHSOY-JOCHJYFZSA-N 0 0 460.556 0.670 20 30 JCEDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)COc2ccc(C#N)cc2)CC3)C1=O ZINC001182912610 1068786190 /nfs/dbraw/zinc/78/61/90/1068786190.db2.gz BADDUMSHYUHSOY-QFIPXVFZSA-N 0 0 460.556 0.670 20 30 JCEDRN N#Cc1ccc(OCC(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)cc1 ZINC001182914079 1068786759 /nfs/dbraw/zinc/78/67/59/1068786759.db2.gz ZKFAAADVHRBQDV-URVUXULASA-N 0 0 454.508 0.916 20 30 JCEDRN N#Cc1ccc(OCC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001182914443 1068786732 /nfs/dbraw/zinc/78/67/32/1068786732.db2.gz YOURQUKMEIPMLG-RBUKOAKNSA-N 0 0 469.523 0.487 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC(=O)COc2ccc(C#N)cc2)CC1 ZINC001182914665 1068786658 /nfs/dbraw/zinc/78/66/58/1068786658.db2.gz CCLFBPYDGAYIGW-UHFFFAOYSA-N 0 0 452.533 0.936 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)COc1ccc(C#N)cc1)C(N)=O ZINC001182920512 1068785639 /nfs/dbraw/zinc/78/56/39/1068785639.db2.gz QGDZWPRAFWTMBC-ROUUACIJSA-N 0 0 477.587 0.307 20 30 JCEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC001182930427 1068794445 /nfs/dbraw/zinc/79/44/45/1068794445.db2.gz AJBPUSXRPDBGKR-UHFFFAOYSA-N 0 0 454.452 0.267 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cn4c(=O)cnc5ccccc54)C3)OCC2=O)cc1 ZINC001182944546 1068787255 /nfs/dbraw/zinc/78/72/55/1068787255.db2.gz XFZDUKNODSIXCZ-RUZDIDTESA-N 0 0 473.489 0.929 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cn4c(=O)cnc5ccccc54)C3)OCC2=O)cc1 ZINC001182944547 1068787205 /nfs/dbraw/zinc/78/72/05/1068787205.db2.gz XFZDUKNODSIXCZ-VWLOTQADSA-N 0 0 473.489 0.929 20 30 JCEDRN CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182947729 1068787717 /nfs/dbraw/zinc/78/77/17/1068787717.db2.gz ODVCQLSILJMFJZ-CYFREDJKSA-N 0 0 488.541 0.747 20 30 JCEDRN CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182947730 1068788372 /nfs/dbraw/zinc/78/83/72/1068788372.db2.gz ODVCQLSILJMFJZ-YADARESESA-N 0 0 488.541 0.747 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CNC(=O)c4ccc(O)cc4)C3)OCC2=O)cc1 ZINC001182970899 1068794132 /nfs/dbraw/zinc/79/41/32/1068794132.db2.gz CWVHDKGJIZKOGY-DEOSSOPVSA-N 0 0 464.478 0.655 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CNC(=O)c4ccc(O)cc4)C3)OCC2=O)cc1 ZINC001182970903 1068794097 /nfs/dbraw/zinc/79/40/97/1068794097.db2.gz CWVHDKGJIZKOGY-XMMPIXPASA-N 0 0 464.478 0.655 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cc(N2CCN(C)CC2)ncn1 ZINC001182975871 1068796488 /nfs/dbraw/zinc/79/64/88/1068796488.db2.gz BWYXEIJTCMKEEG-QMMLZNLJSA-N 0 0 489.621 0.628 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cc(N2CCN(C)CC2)ncn1 ZINC001182975872 1068796132 /nfs/dbraw/zinc/79/61/32/1068796132.db2.gz BWYXEIJTCMKEEG-YYWHXJBOSA-N 0 0 489.621 0.628 20 30 JCEDRN CCOC(=O)c1[nH]cnc1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182976568 1068797051 /nfs/dbraw/zinc/79/70/51/1068797051.db2.gz KRCITGBYDDQIFR-BPUTZDHNSA-N 0 0 451.524 0.986 20 30 JCEDRN CCOC(=O)c1[nH]cnc1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182976569 1068796930 /nfs/dbraw/zinc/79/69/30/1068796930.db2.gz KRCITGBYDDQIFR-KBMXLJTQSA-N 0 0 451.524 0.986 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001182976873 1068797206 /nfs/dbraw/zinc/79/72/06/1068797206.db2.gz OAYVXRNSSQVQNX-FYQPLNBISA-N 0 0 480.606 0.297 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001182976874 1068797198 /nfs/dbraw/zinc/79/71/98/1068797198.db2.gz OAYVXRNSSQVQNX-MUGJNUQGSA-N 0 0 480.606 0.297 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001182976876 1068797034 /nfs/dbraw/zinc/79/70/34/1068797034.db2.gz OAYVXRNSSQVQNX-YRPNKDGESA-N 0 0 480.606 0.297 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001182976878 1068797132 /nfs/dbraw/zinc/79/71/32/1068797132.db2.gz OAYVXRNSSQVQNX-ZRNYENFQSA-N 0 0 480.606 0.297 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001182977392 1068797170 /nfs/dbraw/zinc/79/71/70/1068797170.db2.gz SHEGSYCUNIRDNG-UXPWSPDFSA-N 0 0 476.578 0.712 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001182977393 1068796919 /nfs/dbraw/zinc/79/69/19/1068796919.db2.gz SHEGSYCUNIRDNG-VDGAXYAQSA-N 0 0 476.578 0.712 20 30 JCEDRN CCOC(=O)c1cc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)[nH]n1 ZINC001182977700 1068796983 /nfs/dbraw/zinc/79/69/83/1068796983.db2.gz VWXNZJNVOOARBI-COXVUDFISA-N 0 0 451.524 0.986 20 30 JCEDRN CCOC(=O)c1cc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)[nH]n1 ZINC001182977702 1068796863 /nfs/dbraw/zinc/79/68/63/1068796863.db2.gz VWXNZJNVOOARBI-JQFCIGGWSA-N 0 0 451.524 0.986 20 30 JCEDRN CCOC(=O)c1n[nH]cc1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182977884 1068797219 /nfs/dbraw/zinc/79/72/19/1068797219.db2.gz YYQLDEJMBZRDHE-COXVUDFISA-N 0 0 451.524 0.986 20 30 JCEDRN CCOC(=O)c1n[nH]cc1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182977885 1068797740 /nfs/dbraw/zinc/79/77/40/1068797740.db2.gz YYQLDEJMBZRDHE-JQFCIGGWSA-N 0 0 451.524 0.986 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1nccnc1N1CCOCC1 ZINC001182977995 1068797514 /nfs/dbraw/zinc/79/75/14/1068797514.db2.gz ZWBNHJNKPMIMMS-BZSNNMDCSA-N 0 0 476.578 0.712 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1nccnc1N1CCOCC1 ZINC001182977996 1068797589 /nfs/dbraw/zinc/79/75/89/1068797589.db2.gz ZWBNHJNKPMIMMS-SQNIBIBYSA-N 0 0 476.578 0.712 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001182979723 1068797559 /nfs/dbraw/zinc/79/75/59/1068797559.db2.gz ASWJPVFUXNREMC-NEWSRXKRSA-N 0 0 450.580 0.718 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001182979724 1068797702 /nfs/dbraw/zinc/79/77/02/1068797702.db2.gz ASWJPVFUXNREMC-WDSOQIARSA-N 0 0 450.580 0.718 20 30 JCEDRN COc1cnc(O[C@@H]2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C2)nc1 ZINC001182979745 1068797481 /nfs/dbraw/zinc/79/74/81/1068797481.db2.gz BCAUWAVRSNVZBP-GTAWCEEGSA-N 0 0 491.589 0.926 20 30 JCEDRN COc1cnc(O[C@H]2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C2)nc1 ZINC001182979746 1068797718 /nfs/dbraw/zinc/79/77/18/1068797718.db2.gz BCAUWAVRSNVZBP-LEAZDLGRSA-N 0 0 491.589 0.926 20 30 JCEDRN COc1cnc(O[C@@H]2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C2)nc1 ZINC001182979747 1068797757 /nfs/dbraw/zinc/79/77/57/1068797757.db2.gz BCAUWAVRSNVZBP-LMCOJAPRSA-N 0 0 491.589 0.926 20 30 JCEDRN COc1cnc(O[C@H]2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C2)nc1 ZINC001182979748 1068797621 /nfs/dbraw/zinc/79/76/21/1068797621.db2.gz BCAUWAVRSNVZBP-RNQOJCNYSA-N 0 0 491.589 0.926 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001182979797 1068797663 /nfs/dbraw/zinc/79/76/63/1068797663.db2.gz CDPJPRDNFFLUIZ-BVSLBCMMSA-N 0 0 494.633 0.733 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001182979798 1068797693 /nfs/dbraw/zinc/79/76/93/1068797693.db2.gz CDPJPRDNFFLUIZ-HJNYFJLDSA-N 0 0 494.633 0.733 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001182979801 1068797499 /nfs/dbraw/zinc/79/74/99/1068797499.db2.gz CEGYSHDPQNCXSX-JOTVOLILSA-N 0 0 464.607 0.916 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001182979802 1068797529 /nfs/dbraw/zinc/79/75/29/1068797529.db2.gz CEGYSHDPQNCXSX-OEUJLIAZSA-N 0 0 464.607 0.916 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001182979803 1068797748 /nfs/dbraw/zinc/79/77/48/1068797748.db2.gz CEGYSHDPQNCXSX-SQAAOVBZSA-N 0 0 464.607 0.916 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001182979804 1068797545 /nfs/dbraw/zinc/79/75/45/1068797545.db2.gz CEGYSHDPQNCXSX-XJEPWFOTSA-N 0 0 464.607 0.916 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001182979815 1068797729 /nfs/dbraw/zinc/79/77/29/1068797729.db2.gz CHRIAXQMOFCOEF-XWSJACJDSA-N 0 0 467.611 0.709 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001182979816 1068798119 /nfs/dbraw/zinc/79/81/19/1068798119.db2.gz CHRIAXQMOFCOEF-YRXWBPOGSA-N 0 0 467.611 0.709 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001182979887 1068798100 /nfs/dbraw/zinc/79/81/00/1068798100.db2.gz DRRSANUDEVYGHL-NEWSRXKRSA-N 0 0 450.580 0.718 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001182979888 1068798209 /nfs/dbraw/zinc/79/82/09/1068798209.db2.gz DRRSANUDEVYGHL-WDSOQIARSA-N 0 0 450.580 0.718 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001182979988 1068798023 /nfs/dbraw/zinc/79/80/23/1068798023.db2.gz FPAFFTMOOFSSBE-FHWLQOOXSA-N 0 0 476.578 0.291 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001182979989 1068798179 /nfs/dbraw/zinc/79/81/79/1068798179.db2.gz FPAFFTMOOFSSBE-QYZOEREBSA-N 0 0 476.578 0.291 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(c2ncccc2N)CC1 ZINC001182979994 1068798034 /nfs/dbraw/zinc/79/80/34/1068798034.db2.gz FSCQEXPUQINZPD-AABGKKOBSA-N 0 0 474.606 0.773 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(c2ncccc2N)CC1 ZINC001182979995 1068798270 /nfs/dbraw/zinc/79/82/70/1068798270.db2.gz FSCQEXPUQINZPD-UFYCRDLUSA-N 0 0 474.606 0.773 20 30 JCEDRN CCOC(=O)c1nc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c[nH]1 ZINC001182980018 1068798129 /nfs/dbraw/zinc/79/81/29/1068798129.db2.gz CAEZBNNTKUXGPM-BPUTZDHNSA-N 0 0 451.524 0.986 20 30 JCEDRN CCOC(=O)c1nc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c[nH]1 ZINC001182980019 1068798233 /nfs/dbraw/zinc/79/82/33/1068798233.db2.gz CAEZBNNTKUXGPM-KBMXLJTQSA-N 0 0 451.524 0.986 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001182980037 1068798194 /nfs/dbraw/zinc/79/81/94/1068798194.db2.gz GGCRKWVCSPNXFD-BZSNNMDCSA-N 0 0 466.579 0.938 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001182980042 1068798004 /nfs/dbraw/zinc/79/80/04/1068798004.db2.gz GGCRKWVCSPNXFD-SQNIBIBYSA-N 0 0 466.579 0.938 20 30 JCEDRN CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C[C@@H]21 ZINC001182980054 1068798169 /nfs/dbraw/zinc/79/81/69/1068798169.db2.gz GMBJCEMFWJBSFY-SGYMCOKNSA-N 0 0 451.564 0.715 20 30 JCEDRN CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C[C@@H]21 ZINC001182980056 1068797987 /nfs/dbraw/zinc/79/79/87/1068797987.db2.gz GMBJCEMFWJBSFY-WXJALIKYSA-N 0 0 451.564 0.715 20 30 JCEDRN CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001182980063 1068798084 /nfs/dbraw/zinc/79/80/84/1068798084.db2.gz GPNMGSACCNHUQH-QCFAMHMHSA-N 0 0 482.622 0.591 20 30 JCEDRN CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001182980064 1068798222 /nfs/dbraw/zinc/79/82/22/1068798222.db2.gz GPNMGSACCNHUQH-QIJZPMMNSA-N 0 0 482.622 0.591 20 30 JCEDRN CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001182980065 1068798070 /nfs/dbraw/zinc/79/80/70/1068798070.db2.gz GPNMGSACCNHUQH-YHELAOLJSA-N 0 0 482.622 0.591 20 30 JCEDRN CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001182980066 1068797970 /nfs/dbraw/zinc/79/79/70/1068797970.db2.gz GPNMGSACCNHUQH-ZFMNYDKASA-N 0 0 482.622 0.591 20 30 JCEDRN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCO2 ZINC001182980148 1068798552 /nfs/dbraw/zinc/79/85/52/1068798552.db2.gz CXZKDXILVGVUOH-AIFLQVKLSA-N 0 0 494.633 0.687 20 30 JCEDRN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCO2 ZINC001182980149 1068798590 /nfs/dbraw/zinc/79/85/90/1068798590.db2.gz CXZKDXILVGVUOH-IZZGNVEXSA-N 0 0 494.633 0.687 20 30 JCEDRN CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCO2 ZINC001182980150 1068798761 /nfs/dbraw/zinc/79/87/61/1068798761.db2.gz CXZKDXILVGVUOH-UKDJSQQHSA-N 0 0 494.633 0.687 20 30 JCEDRN CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCO2 ZINC001182980151 1068798602 /nfs/dbraw/zinc/79/86/02/1068798602.db2.gz CXZKDXILVGVUOH-VWEIPLKFSA-N 0 0 494.633 0.687 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001182980162 1068798768 /nfs/dbraw/zinc/79/87/68/1068798768.db2.gz HUJPYDBDLMWIKL-BZSNNMDCSA-N 0 0 483.591 0.315 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001182980163 1068798541 /nfs/dbraw/zinc/79/85/41/1068798541.db2.gz HUJPYDBDLMWIKL-SQNIBIBYSA-N 0 0 483.591 0.315 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001182980340 1068798614 /nfs/dbraw/zinc/79/86/14/1068798614.db2.gz FPTQVAGQVDCINE-GIVPXCGWSA-N 0 0 480.606 0.297 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001182980342 1068798487 /nfs/dbraw/zinc/79/84/87/1068798487.db2.gz FPTQVAGQVDCINE-JBACZVJFSA-N 0 0 480.606 0.297 20 30 JCEDRN COc1cc(N2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CC2)ncn1 ZINC001182980431 1068798704 /nfs/dbraw/zinc/79/87/04/1068798704.db2.gz KTEYFEMJVJYZNZ-QMMLZNLJSA-N 0 0 490.605 0.594 20 30 JCEDRN COc1cc(N2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC2)ncn1 ZINC001182980433 1068798566 /nfs/dbraw/zinc/79/85/66/1068798566.db2.gz KTEYFEMJVJYZNZ-YYWHXJBOSA-N 0 0 490.605 0.594 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001182980445 1068798665 /nfs/dbraw/zinc/79/86/65/1068798665.db2.gz GTBMFEPROZMYFI-ROMHJBHXSA-N 0 0 464.607 0.676 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001182980446 1068798729 /nfs/dbraw/zinc/79/87/29/1068798729.db2.gz GTBMFEPROZMYFI-XUFBONQXSA-N 0 0 464.607 0.676 20 30 JCEDRN CCOC(=O)c1nc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)cn1C ZINC001182980485 1068798578 /nfs/dbraw/zinc/79/85/78/1068798578.db2.gz HPXKELRGFDOZHF-PVAVHDDUSA-N 0 0 465.551 0.996 20 30 JCEDRN CCOC(=O)c1nc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)cn1C ZINC001182980486 1068798779 /nfs/dbraw/zinc/79/87/79/1068798779.db2.gz HPXKELRGFDOZHF-XIRDDKMYSA-N 0 0 465.551 0.996 20 30 JCEDRN COC(=O)CC[C@H]1COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182980543 1068798713 /nfs/dbraw/zinc/79/87/13/1068798713.db2.gz MOVIIIUMSMJKOH-HNJRGHQBSA-N 0 0 469.579 0.628 20 30 JCEDRN COC(=O)CC[C@@H]1COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182980544 1068799196 /nfs/dbraw/zinc/79/91/96/1068799196.db2.gz MOVIIIUMSMJKOH-JYBIWHBTSA-N 0 0 469.579 0.628 20 30 JCEDRN COC(=O)CC[C@@H]1COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182980545 1068799218 /nfs/dbraw/zinc/79/92/18/1068799218.db2.gz MOVIIIUMSMJKOH-UMGGQSCQSA-N 0 0 469.579 0.628 20 30 JCEDRN COC(=O)CC[C@H]1COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182980546 1068799238 /nfs/dbraw/zinc/79/92/38/1068799238.db2.gz MOVIIIUMSMJKOH-ZULIPRJHSA-N 0 0 469.579 0.628 20 30 JCEDRN CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c1 ZINC001182980582 1068799152 /nfs/dbraw/zinc/79/91/52/1068799152.db2.gz MYEWAGVKDZPDNK-NEWSRXKRSA-N 0 0 498.602 0.699 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001182980584 1068799132 /nfs/dbraw/zinc/79/91/32/1068799132.db2.gz HWRJYFHERMOTFY-HOJAQTOUSA-N 0 0 485.589 0.457 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001182980585 1068799276 /nfs/dbraw/zinc/79/92/76/1068799276.db2.gz HWRJYFHERMOTFY-IHPCNDPISA-N 0 0 485.589 0.457 20 30 JCEDRN CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c1 ZINC001182980588 1068799289 /nfs/dbraw/zinc/79/92/89/1068799289.db2.gz MYEWAGVKDZPDNK-WDSOQIARSA-N 0 0 498.602 0.699 20 30 JCEDRN CCOC(=O)[C@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCO1 ZINC001182980639 1068799174 /nfs/dbraw/zinc/79/91/74/1068799174.db2.gz INGHGTDWZMLVPT-BDXSIMOUSA-N 0 0 455.552 0.238 20 30 JCEDRN CCOC(=O)[C@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCO1 ZINC001182980640 1068799186 /nfs/dbraw/zinc/79/91/86/1068799186.db2.gz INGHGTDWZMLVPT-MHORFTMASA-N 0 0 455.552 0.238 20 30 JCEDRN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCO1 ZINC001182980641 1068799312 /nfs/dbraw/zinc/79/93/12/1068799312.db2.gz INGHGTDWZMLVPT-OWSLCNJRSA-N 0 0 455.552 0.238 20 30 JCEDRN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCO1 ZINC001182980642 1068799263 /nfs/dbraw/zinc/79/92/63/1068799263.db2.gz INGHGTDWZMLVPT-XSLAGTTESA-N 0 0 455.552 0.238 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC001182980643 1068799139 /nfs/dbraw/zinc/79/91/39/1068799139.db2.gz INRJUJNOTNRGGN-HOJAQTOUSA-N 0 0 460.579 0.586 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC001182980644 1068799205 /nfs/dbraw/zinc/79/92/05/1068799205.db2.gz INRJUJNOTNRGGN-IHPCNDPISA-N 0 0 460.579 0.586 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001182980677 1068799074 /nfs/dbraw/zinc/79/90/74/1068799074.db2.gz JUWHMAPCKQHZBB-KCXAZCMYSA-N 0 0 456.507 0.201 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001182980678 1068799102 /nfs/dbraw/zinc/79/91/02/1068799102.db2.gz JUWHMAPCKQHZBB-RCBQFDQVSA-N 0 0 456.507 0.201 20 30 JCEDRN Cc1ccnc(N2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CC2)n1 ZINC001182980699 1068799229 /nfs/dbraw/zinc/79/92/29/1068799229.db2.gz NTAWICHLURKRRD-AABGKKOBSA-N 0 0 474.606 0.894 20 30 JCEDRN Cc1ccnc(N2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC2)n1 ZINC001182980700 1068799251 /nfs/dbraw/zinc/79/92/51/1068799251.db2.gz NTAWICHLURKRRD-UFYCRDLUSA-N 0 0 474.606 0.894 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182980723 1068799323 /nfs/dbraw/zinc/79/93/23/1068799323.db2.gz OHIBPNAJVQHLLH-BZSNNMDCSA-N 0 0 464.563 0.752 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182980724 1068799802 /nfs/dbraw/zinc/79/98/02/1068799802.db2.gz OHIBPNAJVQHLLH-SQNIBIBYSA-N 0 0 464.563 0.752 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001182980817 1068799760 /nfs/dbraw/zinc/79/97/60/1068799760.db2.gz QTDCKURAVMEGHN-FYQPLNBISA-N 0 0 463.579 0.437 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001182980818 1068799664 /nfs/dbraw/zinc/79/96/64/1068799664.db2.gz QTDCKURAVMEGHN-MUGJNUQGSA-N 0 0 463.579 0.437 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001182980819 1068799671 /nfs/dbraw/zinc/79/96/71/1068799671.db2.gz QTDCKURAVMEGHN-YRPNKDGESA-N 0 0 463.579 0.437 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001182980820 1068799634 /nfs/dbraw/zinc/79/96/34/1068799634.db2.gz QTDCKURAVMEGHN-ZRNYENFQSA-N 0 0 463.579 0.437 20 30 JCEDRN COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182980847 1068799783 /nfs/dbraw/zinc/79/97/83/1068799783.db2.gz KTFNPMGVZSLSSG-IUUWJXCHSA-N 0 0 467.563 0.095 20 30 JCEDRN COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182980848 1068799646 /nfs/dbraw/zinc/79/96/46/1068799646.db2.gz KTFNPMGVZSLSSG-UDMSYCLOSA-N 0 0 467.563 0.095 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001182980851 1068799693 /nfs/dbraw/zinc/79/96/93/1068799693.db2.gz KVDWPWVJAILEFW-IKGGRYGDSA-N 0 0 463.535 0.233 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001182980870 1068799712 /nfs/dbraw/zinc/79/97/12/1068799712.db2.gz KVDWPWVJAILEFW-ULQDDVLXSA-N 0 0 463.535 0.233 20 30 JCEDRN CCOC(=O)c1cc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)n(C)n1 ZINC001182980909 1068799726 /nfs/dbraw/zinc/79/97/26/1068799726.db2.gz LOMXQOZFWPWFOJ-JLSDUUJJSA-N 0 0 465.551 0.996 20 30 JCEDRN CCOC(=O)c1cc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)n(C)n1 ZINC001182980911 1068799618 /nfs/dbraw/zinc/79/96/18/1068799618.db2.gz LOMXQOZFWPWFOJ-WBAXXEDZSA-N 0 0 465.551 0.996 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N(C)C1CCS(=O)(=O)CC1 ZINC001182980934 1068799793 /nfs/dbraw/zinc/79/97/93/1068799793.db2.gz RFIONOGQDXEPDP-BZSNNMDCSA-N 0 0 459.609 0.483 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N(C)C1CCS(=O)(=O)CC1 ZINC001182980936 1068799624 /nfs/dbraw/zinc/79/96/24/1068799624.db2.gz RFIONOGQDXEPDP-SQNIBIBYSA-N 0 0 459.609 0.483 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC(c2nncn2C)CC1 ZINC001182980985 1068799737 /nfs/dbraw/zinc/79/97/37/1068799737.db2.gz RXDKWRDACLVZRV-FHWLQOOXSA-N 0 0 462.595 0.982 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC(c2nncn2C)CC1 ZINC001182980986 1068799771 /nfs/dbraw/zinc/79/97/71/1068799771.db2.gz RXDKWRDACLVZRV-QYZOEREBSA-N 0 0 462.595 0.982 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001182981009 1068799682 /nfs/dbraw/zinc/79/96/82/1068799682.db2.gz RZCIFMJFAGYWLJ-RKNHFHLDSA-N 0 0 466.623 0.767 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001182981012 1068799630 /nfs/dbraw/zinc/79/96/30/1068799630.db2.gz RZCIFMJFAGYWLJ-XPSJOHQASA-N 0 0 466.623 0.767 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001182981014 1068799748 /nfs/dbraw/zinc/79/97/48/1068799748.db2.gz RZCIFMJFAGYWLJ-XYYCENQHSA-N 0 0 466.623 0.767 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001182981016 1068799655 /nfs/dbraw/zinc/79/96/55/1068799655.db2.gz RZCIFMJFAGYWLJ-ZZEDZQHJSA-N 0 0 466.623 0.767 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001182981038 1068799701 /nfs/dbraw/zinc/79/97/01/1068799701.db2.gz SDQGRLLHHRQTBW-UXPWSPDFSA-N 0 0 478.590 0.492 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001182981041 1068800362 /nfs/dbraw/zinc/80/03/62/1068800362.db2.gz SDQGRLLHHRQTBW-VDGAXYAQSA-N 0 0 478.590 0.492 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(N2CCOC(C)(C)C2)C1 ZINC001182981071 1068800162 /nfs/dbraw/zinc/80/01/62/1068800162.db2.gz SKSKZOGLDRKEHX-AABGKKOBSA-N 0 0 466.623 0.769 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(N2CCOC(C)(C)C2)C1 ZINC001182981072 1068800382 /nfs/dbraw/zinc/80/03/82/1068800382.db2.gz SKSKZOGLDRKEHX-UFYCRDLUSA-N 0 0 466.623 0.769 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001182981095 1068800024 /nfs/dbraw/zinc/80/00/24/1068800024.db2.gz METNTWLRIQXEGB-ANULTFPQSA-N 0 0 494.633 0.687 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001182981096 1068800337 /nfs/dbraw/zinc/80/03/37/1068800337.db2.gz METNTWLRIQXEGB-CGXNFDGLSA-N 0 0 494.633 0.687 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001182981097 1068800100 /nfs/dbraw/zinc/80/01/00/1068800100.db2.gz METNTWLRIQXEGB-TUFLPTIASA-N 0 0 494.633 0.687 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001182981098 1068800197 /nfs/dbraw/zinc/80/01/97/1068800197.db2.gz METNTWLRIQXEGB-WOZUAGRISA-N 0 0 494.633 0.687 20 30 JCEDRN COC(=O)Cn1cc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)cn1 ZINC001182981103 1068800178 /nfs/dbraw/zinc/80/01/78/1068800178.db2.gz MLFBSBQTXDFSTK-NJAFHUGGSA-N 0 0 451.524 0.455 20 30 JCEDRN COC(=O)Cn1cc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)cn1 ZINC001182981104 1068800233 /nfs/dbraw/zinc/80/02/33/1068800233.db2.gz MLFBSBQTXDFSTK-SZMVWBNQSA-N 0 0 451.524 0.455 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001182981147 1068800214 /nfs/dbraw/zinc/80/02/14/1068800214.db2.gz NHXOIXDFRAICLE-JYJNAYRXSA-N 0 0 478.512 0.680 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001182981148 1068800124 /nfs/dbraw/zinc/80/01/24/1068800124.db2.gz NHXOIXDFRAICLE-PMPSAXMXSA-N 0 0 478.512 0.680 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001182981157 1068800146 /nfs/dbraw/zinc/80/01/46/1068800146.db2.gz NLOBERCSJYVOIP-IKGGRYGDSA-N 0 0 469.564 0.128 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001182981158 1068800075 /nfs/dbraw/zinc/80/00/75/1068800075.db2.gz NLOBERCSJYVOIP-ULQDDVLXSA-N 0 0 469.564 0.128 20 30 JCEDRN COC(=O)c1n[nH]c(C)c1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981186 1068800283 /nfs/dbraw/zinc/80/02/83/1068800283.db2.gz NXHFFNFGPQWEPC-COXVUDFISA-N 0 0 451.524 0.904 20 30 JCEDRN COC(=O)c1n[nH]c(C)c1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981187 1068800248 /nfs/dbraw/zinc/80/02/48/1068800248.db2.gz NXHFFNFGPQWEPC-JQFCIGGWSA-N 0 0 451.524 0.904 20 30 JCEDRN CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001182981267 1068800661 /nfs/dbraw/zinc/80/06/61/1068800661.db2.gz UOCQKWFFQLJEDY-FYQPLNBISA-N 0 0 452.596 0.916 20 30 JCEDRN CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001182981268 1068800638 /nfs/dbraw/zinc/80/06/38/1068800638.db2.gz UOCQKWFFQLJEDY-MUGJNUQGSA-N 0 0 452.596 0.916 20 30 JCEDRN CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001182981269 1068800936 /nfs/dbraw/zinc/80/09/36/1068800936.db2.gz UOCQKWFFQLJEDY-YRPNKDGESA-N 0 0 452.596 0.916 20 30 JCEDRN CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001182981270 1068800916 /nfs/dbraw/zinc/80/09/16/1068800916.db2.gz UOCQKWFFQLJEDY-ZRNYENFQSA-N 0 0 452.596 0.916 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001182981277 1068800563 /nfs/dbraw/zinc/80/05/63/1068800563.db2.gz UUCBJAGWTKJPGE-AABGKKOBSA-N 0 0 468.639 0.752 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001182981278 1068800695 /nfs/dbraw/zinc/80/06/95/1068800695.db2.gz UUCBJAGWTKJPGE-UFYCRDLUSA-N 0 0 468.639 0.752 20 30 JCEDRN CN=c1c(N)cc(Cl)nn1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981388 1068800297 /nfs/dbraw/zinc/80/02/97/1068800297.db2.gz OLKWLACVCZOIQW-BPUTZDHNSA-N 0 0 454.959 0.750 20 30 JCEDRN CN=c1c(N)cc(Cl)nn1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981389 1068800051 /nfs/dbraw/zinc/80/00/51/1068800051.db2.gz OLKWLACVCZOIQW-KBMXLJTQSA-N 0 0 454.959 0.750 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001182981454 1068800603 /nfs/dbraw/zinc/80/06/03/1068800603.db2.gz POVCBYXHKHNFRS-ACRUOGEOSA-N 0 0 492.621 0.614 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001182981455 1068800876 /nfs/dbraw/zinc/80/08/76/1068800876.db2.gz POVCBYXHKHNFRS-HKBOAZHASA-N 0 0 492.621 0.614 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001182981477 1068800757 /nfs/dbraw/zinc/80/07/57/1068800757.db2.gz VQAQYQBNENWYND-ACRUOGEOSA-N 0 0 487.601 0.827 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001182981478 1068800728 /nfs/dbraw/zinc/80/07/28/1068800728.db2.gz VQAQYQBNENWYND-HKBOAZHASA-N 0 0 487.601 0.827 20 30 JCEDRN CCS(=O)(=O)NC1CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182981480 1068800681 /nfs/dbraw/zinc/80/06/81/1068800681.db2.gz VRKHQGANKVROBT-FHWLQOOXSA-N 0 0 488.651 0.377 20 30 JCEDRN CCS(=O)(=O)NC1CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182981484 1068800767 /nfs/dbraw/zinc/80/07/67/1068800767.db2.gz VRKHQGANKVROBT-QYZOEREBSA-N 0 0 488.651 0.377 20 30 JCEDRN CCc1c(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c(C(N)=O)nn1C ZINC001182981492 1068800801 /nfs/dbraw/zinc/80/08/01/1068800801.db2.gz PWZBMKBWRYTECT-BVGQSLNGSA-N 0 0 464.567 0.481 20 30 JCEDRN CCc1c(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c(C(N)=O)nn1C ZINC001182981493 1068800857 /nfs/dbraw/zinc/80/08/57/1068800857.db2.gz PWZBMKBWRYTECT-KKXDTOCCSA-N 0 0 464.567 0.481 20 30 JCEDRN CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981583 1068800819 /nfs/dbraw/zinc/80/08/19/1068800819.db2.gz XDMOLXILPHZODI-BDXSIMOUSA-N 0 0 455.552 0.238 20 30 JCEDRN CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981584 1068801343 /nfs/dbraw/zinc/80/13/43/1068801343.db2.gz XDMOLXILPHZODI-MHORFTMASA-N 0 0 455.552 0.238 20 30 JCEDRN CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981585 1068801401 /nfs/dbraw/zinc/80/14/01/1068801401.db2.gz XDMOLXILPHZODI-OWSLCNJRSA-N 0 0 455.552 0.238 20 30 JCEDRN CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981586 1068801268 /nfs/dbraw/zinc/80/12/68/1068801268.db2.gz XDMOLXILPHZODI-XSLAGTTESA-N 0 0 455.552 0.238 20 30 JCEDRN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C[C@H]21 ZINC001182981637 1068801217 /nfs/dbraw/zinc/80/12/17/1068801217.db2.gz REDRSHSYNIPPPA-SSFAQJFESA-N 0 0 494.633 0.447 20 30 JCEDRN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3O[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C[C@H]21 ZINC001182981638 1068801253 /nfs/dbraw/zinc/80/12/53/1068801253.db2.gz REDRSHSYNIPPPA-ZPLOVTKXSA-N 0 0 494.633 0.447 20 30 JCEDRN Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C3)n1 ZINC001182981685 1068801171 /nfs/dbraw/zinc/80/11/71/1068801171.db2.gz SAYDCKCBFZGGPI-BBYNXYBVSA-N 0 0 491.589 0.565 20 30 JCEDRN Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C3)n1 ZINC001182981686 1068801325 /nfs/dbraw/zinc/80/13/25/1068801325.db2.gz SAYDCKCBFZGGPI-DQIRUUEWSA-N 0 0 491.589 0.565 20 30 JCEDRN COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981799 1068801113 /nfs/dbraw/zinc/80/11/13/1068801113.db2.gz XJEZLBWOZRMROJ-ACTFIFLWSA-N 0 0 455.552 0.238 20 30 JCEDRN COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981800 1068801387 /nfs/dbraw/zinc/80/13/87/1068801387.db2.gz XJEZLBWOZRMROJ-DOWNOZBLSA-N 0 0 455.552 0.238 20 30 JCEDRN COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981801 1068801235 /nfs/dbraw/zinc/80/12/35/1068801235.db2.gz XJEZLBWOZRMROJ-TXXWUTRGSA-N 0 0 455.552 0.238 20 30 JCEDRN COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981802 1068801365 /nfs/dbraw/zinc/80/13/65/1068801365.db2.gz XJEZLBWOZRMROJ-VLMPBXDWSA-N 0 0 455.552 0.238 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001182981803 1068801196 /nfs/dbraw/zinc/80/11/96/1068801196.db2.gz XLXXXSOVRYEVLI-IKGGRYGDSA-N 0 0 451.568 0.121 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001182981804 1068801421 /nfs/dbraw/zinc/80/14/21/1068801421.db2.gz XLXXXSOVRYEVLI-ULQDDVLXSA-N 0 0 451.568 0.121 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001182981811 1068801286 /nfs/dbraw/zinc/80/12/86/1068801286.db2.gz XPHCOGSOMFIASN-WHZJULEDSA-N 0 0 484.613 0.718 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001182981812 1068801186 /nfs/dbraw/zinc/80/11/86/1068801186.db2.gz XPHCOGSOMFIASN-ZPAWYTMASA-N 0 0 484.613 0.718 20 30 JCEDRN CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981841 1068801146 /nfs/dbraw/zinc/80/11/46/1068801146.db2.gz YCFWVBHOXSQOSU-GTAWCEEGSA-N 0 0 491.589 0.859 20 30 JCEDRN CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981842 1068801305 /nfs/dbraw/zinc/80/13/05/1068801305.db2.gz YCFWVBHOXSQOSU-LEAZDLGRSA-N 0 0 491.589 0.859 20 30 JCEDRN CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981843 1068801128 /nfs/dbraw/zinc/80/11/28/1068801128.db2.gz YCFWVBHOXSQOSU-LMCOJAPRSA-N 0 0 491.589 0.859 20 30 JCEDRN CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981844 1068801206 /nfs/dbraw/zinc/80/12/06/1068801206.db2.gz YCFWVBHOXSQOSU-RNQOJCNYSA-N 0 0 491.589 0.859 20 30 JCEDRN COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CC2 ZINC001182981851 1068801162 /nfs/dbraw/zinc/80/11/62/1068801162.db2.gz YILOKYPXDARHIB-MNEFBYGVSA-N 0 0 477.562 0.473 20 30 JCEDRN COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC2 ZINC001182981852 1068801690 /nfs/dbraw/zinc/80/16/90/1068801690.db2.gz YILOKYPXDARHIB-SNRMKQJTSA-N 0 0 477.562 0.473 20 30 JCEDRN CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981865 1068801860 /nfs/dbraw/zinc/80/18/60/1068801860.db2.gz YMLFYVZDNKRFOS-GTAWCEEGSA-N 0 0 491.589 0.859 20 30 JCEDRN CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981866 1068801797 /nfs/dbraw/zinc/80/17/97/1068801797.db2.gz YMLFYVZDNKRFOS-LEAZDLGRSA-N 0 0 491.589 0.859 20 30 JCEDRN CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981867 1068801998 /nfs/dbraw/zinc/80/19/98/1068801998.db2.gz YMLFYVZDNKRFOS-LMCOJAPRSA-N 0 0 491.589 0.859 20 30 JCEDRN CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182981868 1068802106 /nfs/dbraw/zinc/80/21/06/1068802106.db2.gz YMLFYVZDNKRFOS-RNQOJCNYSA-N 0 0 491.589 0.859 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001182981925 1068801651 /nfs/dbraw/zinc/80/16/51/1068801651.db2.gz SUAUVMVOAWYWCZ-BVSLBCMMSA-N 0 0 493.649 0.214 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001182981926 1068802134 /nfs/dbraw/zinc/80/21/34/1068802134.db2.gz SUAUVMVOAWYWCZ-HJNYFJLDSA-N 0 0 493.649 0.214 20 30 JCEDRN CCOC(=O)[C@H]1CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCC1=O ZINC001182981937 1068801762 /nfs/dbraw/zinc/80/17/62/1068801762.db2.gz TUHHLOKTNZFFDU-HNJRGHQBSA-N 0 0 481.590 0.818 20 30 JCEDRN CCOC(=O)[C@@H]1CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCC1=O ZINC001182981938 1068802028 /nfs/dbraw/zinc/80/20/28/1068802028.db2.gz TUHHLOKTNZFFDU-JYBIWHBTSA-N 0 0 481.590 0.818 20 30 JCEDRN CCOC(=O)[C@@H]1CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCC1=O ZINC001182981939 1068802063 /nfs/dbraw/zinc/80/20/63/1068802063.db2.gz TUHHLOKTNZFFDU-UMGGQSCQSA-N 0 0 481.590 0.818 20 30 JCEDRN CCOC(=O)[C@H]1CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCC1=O ZINC001182981940 1068801963 /nfs/dbraw/zinc/80/19/63/1068801963.db2.gz TUHHLOKTNZFFDU-ZULIPRJHSA-N 0 0 481.590 0.818 20 30 JCEDRN CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182981980 1068801640 /nfs/dbraw/zinc/80/16/40/1068801640.db2.gz ZJAUZWYYTSNQOT-UXPWSPDFSA-N 0 0 491.589 0.900 20 30 JCEDRN CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182981981 1068801837 /nfs/dbraw/zinc/80/18/37/1068801837.db2.gz ZJAUZWYYTSNQOT-VDGAXYAQSA-N 0 0 491.589 0.900 20 30 JCEDRN CNC(=O)NC1CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182981982 1068801677 /nfs/dbraw/zinc/80/16/77/1068801677.db2.gz ZJQZIVNIZAVNMU-BZSNNMDCSA-N 0 0 453.584 0.367 20 30 JCEDRN CNC(=O)NC1CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182981983 1068801661 /nfs/dbraw/zinc/80/16/61/1068801661.db2.gz ZJQZIVNIZAVNMU-SQNIBIBYSA-N 0 0 453.584 0.367 20 30 JCEDRN CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182981999 1068801946 /nfs/dbraw/zinc/80/19/46/1068801946.db2.gz UUJJBWWWUROSEN-NJAFHUGGSA-N 0 0 492.577 0.258 20 30 JCEDRN CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182982005 1068801624 /nfs/dbraw/zinc/80/16/24/1068801624.db2.gz UUJJBWWWUROSEN-SZMVWBNQSA-N 0 0 492.577 0.258 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001182982012 1068801605 /nfs/dbraw/zinc/80/16/05/1068801605.db2.gz UYATUKAYFQFYEZ-GIVPXCGWSA-N 0 0 481.638 0.116 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001182982017 1068802494 /nfs/dbraw/zinc/80/24/94/1068802494.db2.gz UYATUKAYFQFYEZ-JBACZVJFSA-N 0 0 481.638 0.116 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001182982039 1068802720 /nfs/dbraw/zinc/80/27/20/1068802720.db2.gz VAWGOSSPAAYCBL-BZSNNMDCSA-N 0 0 480.529 0.872 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001182982040 1068802418 /nfs/dbraw/zinc/80/24/18/1068802418.db2.gz VAWGOSSPAAYCBL-SQNIBIBYSA-N 0 0 480.529 0.872 20 30 JCEDRN CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182982045 1068802668 /nfs/dbraw/zinc/80/26/68/1068802668.db2.gz VCCZLEBNIZEMNN-JWWGGVBKSA-N 0 0 492.621 0.831 20 30 JCEDRN CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182982046 1068802771 /nfs/dbraw/zinc/80/27/71/1068802771.db2.gz VCCZLEBNIZEMNN-JYWFKMLOSA-N 0 0 492.621 0.831 20 30 JCEDRN CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182982047 1068802824 /nfs/dbraw/zinc/80/28/24/1068802824.db2.gz VCCZLEBNIZEMNN-SEONNTABSA-N 0 0 492.621 0.831 20 30 JCEDRN CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C2 ZINC001182982048 1068802681 /nfs/dbraw/zinc/80/26/81/1068802681.db2.gz VCCZLEBNIZEMNN-USNOLKROSA-N 0 0 492.621 0.831 20 30 JCEDRN COC[C@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)Cc2cn(C)nc21 ZINC001182982136 1068802475 /nfs/dbraw/zinc/80/24/75/1068802475.db2.gz VPJAQVXIXGWHND-QCFAMHMHSA-N 0 0 477.606 0.953 20 30 JCEDRN COC[C@@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)Cc2cn(C)nc21 ZINC001182982139 1068802801 /nfs/dbraw/zinc/80/28/01/1068802801.db2.gz VPJAQVXIXGWHND-QIJZPMMNSA-N 0 0 477.606 0.953 20 30 JCEDRN COC[C@@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)Cc2cn(C)nc21 ZINC001182982141 1068802580 /nfs/dbraw/zinc/80/25/80/1068802580.db2.gz VPJAQVXIXGWHND-YHELAOLJSA-N 0 0 477.606 0.953 20 30 JCEDRN COC[C@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)Cc2cn(C)nc21 ZINC001182982144 1068802757 /nfs/dbraw/zinc/80/27/57/1068802757.db2.gz VPJAQVXIXGWHND-ZFMNYDKASA-N 0 0 477.606 0.953 20 30 JCEDRN CSc1[nH]nc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c1C(N)=O ZINC001182982223 1068802309 /nfs/dbraw/zinc/80/23/09/1068802309.db2.gz WKJSOBRBJRMXMR-UBHSHLNASA-N 0 0 468.580 0.630 20 30 JCEDRN CSc1[nH]nc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c1C(N)=O ZINC001182982224 1068802513 /nfs/dbraw/zinc/80/25/13/1068802513.db2.gz WKJSOBRBJRMXMR-XBFCOCLRSA-N 0 0 468.580 0.630 20 30 JCEDRN COc1ncnc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c1OC ZINC001182982247 1068802738 /nfs/dbraw/zinc/80/27/38/1068802738.db2.gz WZCJPAYEPVEDQV-ILXRZTDVSA-N 0 0 451.524 0.893 20 30 JCEDRN COc1ncnc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c1OC ZINC001182982248 1068802847 /nfs/dbraw/zinc/80/28/47/1068802847.db2.gz WZCJPAYEPVEDQV-KKUMJFAQSA-N 0 0 451.524 0.893 20 30 JCEDRN COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982278 1068802691 /nfs/dbraw/zinc/80/26/91/1068802691.db2.gz ACQOONSBJYVYKD-MUGJNUQGSA-N 0 0 493.605 0.471 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001182982302 1068802600 /nfs/dbraw/zinc/80/26/00/1068802600.db2.gz YAUOWKZPINIBSI-IKGGRYGDSA-N 0 0 486.577 0.083 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001182982303 1068803114 /nfs/dbraw/zinc/80/31/14/1068803114.db2.gz YAUOWKZPINIBSI-ULQDDVLXSA-N 0 0 486.577 0.083 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001182982310 1068803344 /nfs/dbraw/zinc/80/33/44/1068803344.db2.gz YIQRLKUOQXURHB-DRZSPHRISA-N 0 0 452.468 0.685 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001182982311 1068802973 /nfs/dbraw/zinc/80/29/73/1068802973.db2.gz YIQRLKUOQXURHB-WXHSDQCUSA-N 0 0 452.468 0.685 20 30 JCEDRN COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982320 1068803441 /nfs/dbraw/zinc/80/34/41/1068803441.db2.gz YPTKCQPRXCCDKI-JLSDUUJJSA-N 0 0 494.545 0.987 20 30 JCEDRN COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982321 1068803391 /nfs/dbraw/zinc/80/33/91/1068803391.db2.gz YPTKCQPRXCCDKI-WBAXXEDZSA-N 0 0 494.545 0.987 20 30 JCEDRN CCOc1cc(N)n(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c(=N)n1 ZINC001182982340 1068803140 /nfs/dbraw/zinc/80/31/40/1068803140.db2.gz ZLWVCGXTNAHQQS-COXVUDFISA-N 0 0 450.540 0.444 20 30 JCEDRN CCOc1cc(N)n(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c(=N)n1 ZINC001182982348 1068803260 /nfs/dbraw/zinc/80/32/60/1068803260.db2.gz ZLWVCGXTNAHQQS-JQFCIGGWSA-N 0 0 450.540 0.444 20 30 JCEDRN COC(=O)C[C@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCO1 ZINC001182982349 1068803292 /nfs/dbraw/zinc/80/32/92/1068803292.db2.gz ZLXMGZPOTDXEFA-CAMMJAKZSA-N 0 0 455.552 0.238 20 30 JCEDRN COC(=O)C[C@@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCO1 ZINC001182982350 1068802955 /nfs/dbraw/zinc/80/29/55/1068802955.db2.gz ZLXMGZPOTDXEFA-FPAYPSAMSA-N 0 0 455.552 0.238 20 30 JCEDRN COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982351 1068802435 /nfs/dbraw/zinc/80/24/35/1068802435.db2.gz ACQOONSBJYVYKD-YRPNKDGESA-N 0 0 493.605 0.471 20 30 JCEDRN COC(=O)C[C@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCO1 ZINC001182982467 1068803215 /nfs/dbraw/zinc/80/32/15/1068803215.db2.gz ZLXMGZPOTDXEFA-NBMJBFSESA-N 0 0 455.552 0.238 20 30 JCEDRN COC(=O)C[C@@H]1CN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCO1 ZINC001182982472 1068803089 /nfs/dbraw/zinc/80/30/89/1068803089.db2.gz ZLXMGZPOTDXEFA-NEPXVJNWSA-N 0 0 455.552 0.238 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCNC(=O)c1ccncc1 ZINC001182982630 1068803169 /nfs/dbraw/zinc/80/31/69/1068803169.db2.gz AYHMTKKXMBHOSF-FHWLQOOXSA-N 0 0 461.563 0.388 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCNC(=O)c1ccncc1 ZINC001182982631 1068803015 /nfs/dbraw/zinc/80/30/15/1068803015.db2.gz AYHMTKKXMBHOSF-QYZOEREBSA-N 0 0 461.563 0.388 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1ncc(Br)[nH]c1=O ZINC001182982654 1068803230 /nfs/dbraw/zinc/80/32/30/1068803230.db2.gz BDEDVACSFPXLEA-UBHSHLNASA-N 0 0 486.367 0.932 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1ncc(Br)[nH]c1=O ZINC001182982655 1068803786 /nfs/dbraw/zinc/80/37/86/1068803786.db2.gz BDEDVACSFPXLEA-XBFCOCLRSA-N 0 0 486.367 0.932 20 30 JCEDRN COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982672 1068803895 /nfs/dbraw/zinc/80/38/95/1068803895.db2.gz CRSNFENOLHOPCT-RDGPPVDQSA-N 0 0 479.578 0.081 20 30 JCEDRN COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982677 1068803984 /nfs/dbraw/zinc/80/39/84/1068803984.db2.gz CRSNFENOLHOPCT-VJANTYMQSA-N 0 0 479.578 0.081 20 30 JCEDRN COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982679 1068804023 /nfs/dbraw/zinc/80/40/23/1068804023.db2.gz CRSNFENOLHOPCT-XWSJACJDSA-N 0 0 479.578 0.081 20 30 JCEDRN COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982681 1068803807 /nfs/dbraw/zinc/80/38/07/1068803807.db2.gz CRSNFENOLHOPCT-YRXWBPOGSA-N 0 0 479.578 0.081 20 30 JCEDRN CCOC(=O)CC1(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)COC1 ZINC001182982700 1068804079 /nfs/dbraw/zinc/80/40/79/1068804079.db2.gz BQKZEWHJUDBCAZ-NJAFHUGGSA-N 0 0 455.552 0.285 20 30 JCEDRN CCOC(=O)CC1(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)COC1 ZINC001182982701 1068803834 /nfs/dbraw/zinc/80/38/34/1068803834.db2.gz BQKZEWHJUDBCAZ-SZMVWBNQSA-N 0 0 455.552 0.285 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001182982889 1068803654 /nfs/dbraw/zinc/80/36/54/1068803654.db2.gz CDFVWMXWTUPKDB-XPGWFJOJSA-N 0 0 463.531 0.857 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001182982890 1068803862 /nfs/dbraw/zinc/80/38/62/1068803862.db2.gz CDFVWMXWTUPKDB-YSSFQJQWSA-N 0 0 463.531 0.857 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C ZINC001182982919 1068804062 /nfs/dbraw/zinc/80/40/62/1068804062.db2.gz CPZIFVRINQFICU-GFEQUFNTSA-N 0 0 498.621 0.855 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C ZINC001182982920 1068803753 /nfs/dbraw/zinc/80/37/53/1068803753.db2.gz CPZIFVRINQFICU-PJVZLEMVSA-N 0 0 498.621 0.855 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001182982945 1068803851 /nfs/dbraw/zinc/80/38/51/1068803851.db2.gz DODUHTDKZWKRNP-JKEDJMADSA-N 0 0 498.621 0.543 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001182982946 1068803735 /nfs/dbraw/zinc/80/37/35/1068803735.db2.gz DODUHTDKZWKRNP-QQXKLLMISA-N 0 0 498.621 0.543 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1cc(OC2COC2)ccn1 ZINC001182982959 1068803699 /nfs/dbraw/zinc/80/36/99/1068803699.db2.gz DUXPNBNYXFTYAB-ACRUOGEOSA-N 0 0 476.574 0.936 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1cc(OC2COC2)ccn1 ZINC001182982960 1068803631 /nfs/dbraw/zinc/80/36/31/1068803631.db2.gz DUXPNBNYXFTYAB-HKBOAZHASA-N 0 0 476.574 0.936 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)OC(C)(C)C ZINC001182982965 1068803956 /nfs/dbraw/zinc/80/39/56/1068803956.db2.gz DVZSLNKEKLAHFU-QAETUUGQSA-N 0 0 457.568 0.266 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)OC(C)(C)C ZINC001182982966 1068804301 /nfs/dbraw/zinc/80/43/01/1068804301.db2.gz DVZSLNKEKLAHFU-QZWWFDLISA-N 0 0 457.568 0.266 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982967 1068804279 /nfs/dbraw/zinc/80/42/79/1068804279.db2.gz DYGRMBZWSHAKJY-JYJNAYRXSA-N 0 0 462.507 0.768 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182982968 1068804561 /nfs/dbraw/zinc/80/45/61/1068804561.db2.gz DYGRMBZWSHAKJY-PMPSAXMXSA-N 0 0 462.507 0.768 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001182983005 1068804515 /nfs/dbraw/zinc/80/45/15/1068804515.db2.gz FWAQERREMGAQCJ-FHWLQOOXSA-N 0 0 488.651 0.235 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001182983006 1068804208 /nfs/dbraw/zinc/80/42/08/1068804208.db2.gz FWAQERREMGAQCJ-QYZOEREBSA-N 0 0 488.651 0.235 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCOc1ccccc1C(N)=O ZINC001182983045 1068804336 /nfs/dbraw/zinc/80/43/36/1068804336.db2.gz GLULBFVQYUYNBM-HOJAQTOUSA-N 0 0 476.574 0.741 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCOc1ccccc1C(N)=O ZINC001182983046 1068804405 /nfs/dbraw/zinc/80/44/05/1068804405.db2.gz GLULBFVQYUYNBM-IHPCNDPISA-N 0 0 476.574 0.741 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1c2cccc(N)c2CS1(=O)=O ZINC001182983139 1068804370 /nfs/dbraw/zinc/80/43/70/1068804370.db2.gz GOYQZDXBKLRCOY-NEWSRXKRSA-N 0 0 480.587 0.906 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1c2cccc(N)c2CS1(=O)=O ZINC001182983140 1068804321 /nfs/dbraw/zinc/80/43/21/1068804321.db2.gz GOYQZDXBKLRCOY-WDSOQIARSA-N 0 0 480.587 0.906 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001182983141 1068804258 /nfs/dbraw/zinc/80/42/58/1068804258.db2.gz GOZXIBMNJQUQJV-FYQPLNBISA-N 0 0 482.622 0.447 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001182983142 1068804233 /nfs/dbraw/zinc/80/42/33/1068804233.db2.gz GOZXIBMNJQUQJV-MUGJNUQGSA-N 0 0 482.622 0.447 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001182983143 1068804468 /nfs/dbraw/zinc/80/44/68/1068804468.db2.gz GPQIHPLKKBTNAJ-GIVPXCGWSA-N 0 0 490.605 0.390 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001182983144 1068804502 /nfs/dbraw/zinc/80/45/02/1068804502.db2.gz GPQIHPLKKBTNAJ-JBACZVJFSA-N 0 0 490.605 0.390 20 30 JCEDRN CCOC(=O)CC[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OCC ZINC001182983173 1068804484 /nfs/dbraw/zinc/80/44/84/1068804484.db2.gz HCRWTPSAGSNCDT-HNJRGHQBSA-N 0 0 499.605 0.838 20 30 JCEDRN CCOC(=O)CC[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OCC ZINC001182983174 1068804538 /nfs/dbraw/zinc/80/45/38/1068804538.db2.gz HCRWTPSAGSNCDT-ZULIPRJHSA-N 0 0 499.605 0.838 20 30 JCEDRN CCn1c(N)c(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c(=O)n(CC)c1=O ZINC001182983175 1068804356 /nfs/dbraw/zinc/80/43/56/1068804356.db2.gz HDPBJPOLWNDXAW-PVAVHDDUSA-N 0 0 494.593 0.031 20 30 JCEDRN CCn1c(N)c(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c(=O)n(CC)c1=O ZINC001182983176 1068804419 /nfs/dbraw/zinc/80/44/19/1068804419.db2.gz HDPBJPOLWNDXAW-XIRDDKMYSA-N 0 0 494.593 0.031 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)NO)nc1 ZINC001182983286 1068804449 /nfs/dbraw/zinc/80/44/49/1068804449.db2.gz IHUFZHYPXBGTJX-BZSNNMDCSA-N 0 0 463.535 0.803 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)NO)nc1 ZINC001182983287 1068804388 /nfs/dbraw/zinc/80/43/88/1068804388.db2.gz IHUFZHYPXBGTJX-SQNIBIBYSA-N 0 0 463.535 0.803 20 30 JCEDRN CCOC(=O)c1nnc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)o1 ZINC001182983314 1068804433 /nfs/dbraw/zinc/80/44/33/1068804433.db2.gz IRGARDLUQOZVQF-BPUTZDHNSA-N 0 0 467.523 0.323 20 30 JCEDRN CCOC(=O)c1nnc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)o1 ZINC001182983317 1068804800 /nfs/dbraw/zinc/80/48/00/1068804800.db2.gz IRGARDLUQOZVQF-KBMXLJTQSA-N 0 0 467.523 0.323 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001182983365 1068805078 /nfs/dbraw/zinc/80/50/78/1068805078.db2.gz IUDARRISMFFSHJ-IKGGRYGDSA-N 0 0 457.593 0.140 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001182983367 1068804739 /nfs/dbraw/zinc/80/47/39/1068804739.db2.gz IUDARRISMFFSHJ-ULQDDVLXSA-N 0 0 457.593 0.140 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccc(S(C)(=O)=O)cn1 ZINC001182983369 1068804938 /nfs/dbraw/zinc/80/49/38/1068804938.db2.gz IUYZRQZQEKLJON-FHWLQOOXSA-N 0 0 482.603 0.562 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccc(S(C)(=O)=O)cn1 ZINC001182983370 1068804823 /nfs/dbraw/zinc/80/48/23/1068804823.db2.gz IUYZRQZQEKLJON-QYZOEREBSA-N 0 0 482.603 0.562 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1COCCC12OCCO2 ZINC001182983404 1068804919 /nfs/dbraw/zinc/80/49/19/1068804919.db2.gz JKCDZTYZSYMXRC-BDXSIMOUSA-N 0 0 455.552 0.095 20 30 JCEDRN CCOC(=O)c1c[nH]nc1CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182983422 1068804701 /nfs/dbraw/zinc/80/47/01/1068804701.db2.gz IXYHWLOWCIQKDU-NJAFHUGGSA-N 0 0 465.551 0.663 20 30 JCEDRN CCOC(=O)c1c[nH]nc1CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182983424 1068805034 /nfs/dbraw/zinc/80/50/34/1068805034.db2.gz IXYHWLOWCIQKDU-SZMVWBNQSA-N 0 0 465.551 0.663 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1COCCC12OCCO2 ZINC001182983429 1068804842 /nfs/dbraw/zinc/80/48/42/1068804842.db2.gz JKCDZTYZSYMXRC-MHORFTMASA-N 0 0 455.552 0.095 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H]1COCCC12OCCO2 ZINC001182983431 1068804974 /nfs/dbraw/zinc/80/49/74/1068804974.db2.gz JKCDZTYZSYMXRC-OWSLCNJRSA-N 0 0 455.552 0.095 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H]1COCCC12OCCO2 ZINC001182983434 1068805121 /nfs/dbraw/zinc/80/51/21/1068805121.db2.gz JKCDZTYZSYMXRC-XSLAGTTESA-N 0 0 455.552 0.095 20 30 JCEDRN CCOC(=O)c1nc[nH]c1CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182983594 1068804903 /nfs/dbraw/zinc/80/49/03/1068804903.db2.gz KCEHAOXZHXCAOZ-JLSDUUJJSA-N 0 0 465.551 0.663 20 30 JCEDRN CCOC(=O)c1nc[nH]c1CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182983596 1068804760 /nfs/dbraw/zinc/80/47/60/1068804760.db2.gz KCEHAOXZHXCAOZ-WBAXXEDZSA-N 0 0 465.551 0.663 20 30 JCEDRN CC(=O)OCN1CCC(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182983726 1068804861 /nfs/dbraw/zinc/80/48/61/1068804861.db2.gz KQIKNJWHAGJZIH-AABGKKOBSA-N 0 0 468.595 0.548 20 30 JCEDRN CC(=O)OCN1CCC(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182983727 1068804885 /nfs/dbraw/zinc/80/48/85/1068804885.db2.gz KQIKNJWHAGJZIH-UFYCRDLUSA-N 0 0 468.595 0.548 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001182983778 1068805014 /nfs/dbraw/zinc/80/50/14/1068805014.db2.gz LWMTXKYPVQRAOH-FYQPLNBISA-N 0 0 458.559 0.934 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001182983779 1068805396 /nfs/dbraw/zinc/80/53/96/1068805396.db2.gz LWMTXKYPVQRAOH-MUGJNUQGSA-N 0 0 458.559 0.934 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001182983780 1068805602 /nfs/dbraw/zinc/80/56/02/1068805602.db2.gz LWMTXKYPVQRAOH-YRPNKDGESA-N 0 0 458.559 0.934 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001182983781 1068805305 /nfs/dbraw/zinc/80/53/05/1068805305.db2.gz LWMTXKYPVQRAOH-ZRNYENFQSA-N 0 0 458.559 0.934 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001182983822 1068805281 /nfs/dbraw/zinc/80/52/81/1068805281.db2.gz MSGTXMVUJUORSU-HZEGPAAWSA-N 0 0 463.575 0.872 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001182983823 1068805352 /nfs/dbraw/zinc/80/53/52/1068805352.db2.gz MSGTXMVUJUORSU-PBASOCQRSA-N 0 0 463.575 0.872 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N=C(N)c1ccc(C(N)=O)cc1 ZINC001182983898 1068805555 /nfs/dbraw/zinc/80/55/55/1068805555.db2.gz LWLFOACOZWZXFL-BZSNNMDCSA-N 0 0 459.547 0.478 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N=C(N)c1ccc(C(N)=O)cc1 ZINC001182983899 1068805520 /nfs/dbraw/zinc/80/55/20/1068805520.db2.gz LWLFOACOZWZXFL-SQNIBIBYSA-N 0 0 459.547 0.478 20 30 JCEDRN COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182983922 1068805664 /nfs/dbraw/zinc/80/56/64/1068805664.db2.gz MIMHDQBYFQKZMS-OEUJLIAZSA-N 0 0 482.622 0.637 20 30 JCEDRN COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CC1 ZINC001182983923 1068805439 /nfs/dbraw/zinc/80/54/39/1068805439.db2.gz MIMHDQBYFQKZMS-QEUPLWARSA-N 0 0 482.622 0.637 20 30 JCEDRN COC(=O)[C@H](CCSC)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182983953 1068805253 /nfs/dbraw/zinc/80/52/53/1068805253.db2.gz OERNRBUGIQZOLZ-QAETUUGQSA-N 0 0 459.609 0.858 20 30 JCEDRN COC(=O)[C@H](CCSC)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182983955 1068805624 /nfs/dbraw/zinc/80/56/24/1068805624.db2.gz OERNRBUGIQZOLZ-YVSFHVDLSA-N 0 0 459.609 0.858 20 30 JCEDRN Cc1ncc(CO)c(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c1O ZINC001182983977 1068805686 /nfs/dbraw/zinc/80/56/86/1068805686.db2.gz OHJFEQDHXNEYFB-HOJAQTOUSA-N 0 0 464.563 0.665 20 30 JCEDRN Cc1ncc(CO)c(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c1O ZINC001182983982 1068805332 /nfs/dbraw/zinc/80/53/32/1068805332.db2.gz OHJFEQDHXNEYFB-IHPCNDPISA-N 0 0 464.563 0.665 20 30 JCEDRN COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984111 1068805414 /nfs/dbraw/zinc/80/54/14/1068805414.db2.gz PMPHHDYWOJSMED-KCXAZCMYSA-N 0 0 465.507 0.368 20 30 JCEDRN COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984112 1068805642 /nfs/dbraw/zinc/80/56/42/1068805642.db2.gz PMPHHDYWOJSMED-RCBQFDQVSA-N 0 0 465.507 0.368 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@H]1OCCc2cn(C)nc21 ZINC001182984176 1068805374 /nfs/dbraw/zinc/80/53/74/1068805374.db2.gz PXTYFXJBIHVNLK-HNJRGHQBSA-N 0 0 463.579 0.611 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@H]1OCCc2cn(C)nc21 ZINC001182984177 1068805460 /nfs/dbraw/zinc/80/54/60/1068805460.db2.gz PXTYFXJBIHVNLK-JYBIWHBTSA-N 0 0 463.579 0.611 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@@H]1OCCc2cn(C)nc21 ZINC001182984178 1068805506 /nfs/dbraw/zinc/80/55/06/1068805506.db2.gz PXTYFXJBIHVNLK-UMGGQSCQSA-N 0 0 463.579 0.611 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@@H]1OCCc2cn(C)nc21 ZINC001182984179 1068806052 /nfs/dbraw/zinc/80/60/52/1068806052.db2.gz PXTYFXJBIHVNLK-ZULIPRJHSA-N 0 0 463.579 0.611 20 30 JCEDRN COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984248 1068806104 /nfs/dbraw/zinc/80/61/04/1068806104.db2.gz RBICDCIEEATPAL-OWSLCNJRSA-N 0 0 471.595 0.920 20 30 JCEDRN COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984249 1068806069 /nfs/dbraw/zinc/80/60/69/1068806069.db2.gz RBICDCIEEATPAL-XSLAGTTESA-N 0 0 471.595 0.920 20 30 JCEDRN COC(=O)c1cncc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c1 ZINC001182984271 1068806386 /nfs/dbraw/zinc/80/63/86/1068806386.db2.gz NQVDWNYVRUPQCO-FHWLQOOXSA-N 0 0 462.547 0.945 20 30 JCEDRN COC(=O)c1cncc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c1 ZINC001182984273 1068805912 /nfs/dbraw/zinc/80/59/12/1068805912.db2.gz NQVDWNYVRUPQCO-QYZOEREBSA-N 0 0 462.547 0.945 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC(=N)n1nnc2ccccc21 ZINC001182984350 1068806086 /nfs/dbraw/zinc/80/60/86/1068806086.db2.gz PQASIHOKOGEQGB-NJAFHUGGSA-N 0 0 457.535 0.791 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC(=N)n1nnc2ccccc21 ZINC001182984351 1068806404 /nfs/dbraw/zinc/80/64/04/1068806404.db2.gz PQASIHOKOGEQGB-SZMVWBNQSA-N 0 0 457.535 0.791 20 30 JCEDRN CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984356 1068806366 /nfs/dbraw/zinc/80/63/66/1068806366.db2.gz PUALCYYPLFPJCT-BCYZHJNNSA-N 0 0 469.579 0.531 20 30 JCEDRN CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984357 1068806271 /nfs/dbraw/zinc/80/62/71/1068806271.db2.gz PUALCYYPLFPJCT-GFEQUFNTSA-N 0 0 469.579 0.531 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCC1(N2CCCC2)COC1 ZINC001182984384 1068806296 /nfs/dbraw/zinc/80/62/96/1068806296.db2.gz RUABEFIVASZFOB-FHWLQOOXSA-N 0 0 452.596 0.428 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCC1(N2CCCC2)COC1 ZINC001182984385 1068806157 /nfs/dbraw/zinc/80/61/57/1068806157.db2.gz RUABEFIVASZFOB-QYZOEREBSA-N 0 0 452.596 0.428 20 30 JCEDRN COCCOc1nccc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)n1 ZINC001182984580 1068805842 /nfs/dbraw/zinc/80/58/42/1068805842.db2.gz QOZXXACDBSYSPD-FHWLQOOXSA-N 0 0 479.578 0.579 20 30 JCEDRN COCCOc1nccc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)n1 ZINC001182984581 1068805870 /nfs/dbraw/zinc/80/58/70/1068805870.db2.gz QOZXXACDBSYSPD-QYZOEREBSA-N 0 0 479.578 0.579 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001182984628 1068805896 /nfs/dbraw/zinc/80/58/96/1068805896.db2.gz UNXNPTOLJOCZLI-JLSDUUJJSA-N 0 0 463.535 0.683 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001182984630 1068806348 /nfs/dbraw/zinc/80/63/48/1068806348.db2.gz UNXNPTOLJOCZLI-WBAXXEDZSA-N 0 0 463.535 0.683 20 30 JCEDRN CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984639 1068806190 /nfs/dbraw/zinc/80/61/90/1068806190.db2.gz RPZDNAIDGOYZFH-VJANTYMQSA-N 0 0 479.578 0.461 20 30 JCEDRN CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984641 1068806863 /nfs/dbraw/zinc/80/68/63/1068806863.db2.gz RPZDNAIDGOYZFH-XWSJACJDSA-N 0 0 479.578 0.461 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1c(N=O)c(=O)[nH]c(=O)n1C ZINC001182984650 1068806845 /nfs/dbraw/zinc/80/68/45/1068806845.db2.gz UTPTUMIMNZHJSR-UBHSHLNASA-N 0 0 466.495 0.283 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1c(N=O)c(=O)[nH]c(=O)n1C ZINC001182984652 1068806808 /nfs/dbraw/zinc/80/68/08/1068806808.db2.gz UTPTUMIMNZHJSR-XBFCOCLRSA-N 0 0 466.495 0.283 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)[nH]1 ZINC001182984669 1068806537 /nfs/dbraw/zinc/80/65/37/1068806537.db2.gz RWEIEFFTGBSQRG-BZSNNMDCSA-N 0 0 450.536 0.878 20 30 JCEDRN COC(=O)c1ccc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)[nH]1 ZINC001182984672 1068806652 /nfs/dbraw/zinc/80/66/52/1068806652.db2.gz RWEIEFFTGBSQRG-SQNIBIBYSA-N 0 0 450.536 0.878 20 30 JCEDRN CCOC(=O)C1=C(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)[C@H](C)OC1 ZINC001182984708 1068806796 /nfs/dbraw/zinc/80/67/96/1068806796.db2.gz VFDPVHXJYBXFSX-CBVHJVASSA-N 0 0 467.563 0.799 20 30 JCEDRN CCOC(=O)C1=C(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)[C@H](C)OC1 ZINC001182984709 1068806772 /nfs/dbraw/zinc/80/67/72/1068806772.db2.gz VFDPVHXJYBXFSX-FXECBMLZSA-N 0 0 467.563 0.799 20 30 JCEDRN CCOC(=O)C1=C(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)[C@@H](C)OC1 ZINC001182984710 1068806944 /nfs/dbraw/zinc/80/69/44/1068806944.db2.gz VFDPVHXJYBXFSX-JZGRTCEGSA-N 0 0 467.563 0.799 20 30 JCEDRN CCOC(=O)C1=C(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)[C@@H](C)OC1 ZINC001182984711 1068806929 /nfs/dbraw/zinc/80/69/29/1068806929.db2.gz VFDPVHXJYBXFSX-XIVBQZFQSA-N 0 0 467.563 0.799 20 30 JCEDRN CCOC(=O)C(=CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OCC ZINC001182984768 1068806673 /nfs/dbraw/zinc/80/66/73/1068806673.db2.gz WNHLGNAAYBXCHB-BZSNNMDCSA-N 0 0 483.562 0.573 20 30 JCEDRN CCOC(=O)C(=CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OCC ZINC001182984769 1068806827 /nfs/dbraw/zinc/80/68/27/1068806827.db2.gz WNHLGNAAYBXCHB-SQNIBIBYSA-N 0 0 483.562 0.573 20 30 JCEDRN COC(=O)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C1CCOCC1 ZINC001182984792 1068806744 /nfs/dbraw/zinc/80/67/44/1068806744.db2.gz XDZFVDAVHJFJIJ-VJANTYMQSA-N 0 0 469.579 0.531 20 30 JCEDRN COC(=O)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C1CCOCC1 ZINC001182984793 1068806627 /nfs/dbraw/zinc/80/66/27/1068806627.db2.gz XDZFVDAVHJFJIJ-XWSJACJDSA-N 0 0 469.579 0.531 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001182984843 1068806690 /nfs/dbraw/zinc/80/66/90/1068806690.db2.gz XNFLTXXFZKEWEK-FHWLQOOXSA-N 0 0 471.562 0.944 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001182984848 1068806959 /nfs/dbraw/zinc/80/69/59/1068806959.db2.gz XNFLTXXFZKEWEK-QYZOEREBSA-N 0 0 471.562 0.944 20 30 JCEDRN COc1cccc(CNC(=O)CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c1 ZINC001182984959 1068806606 /nfs/dbraw/zinc/80/66/06/1068806606.db2.gz TXXBPRWTSJEIBB-BVSLBCMMSA-N 0 0 490.601 0.888 20 30 JCEDRN COc1cccc(CNC(=O)CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c1 ZINC001182984960 1068807380 /nfs/dbraw/zinc/80/73/80/1068807380.db2.gz TXXBPRWTSJEIBB-HJNYFJLDSA-N 0 0 490.601 0.888 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001182985068 1068807337 /nfs/dbraw/zinc/80/73/37/1068807337.db2.gz YHWGAASBFACKAY-FHWLQOOXSA-N 0 0 473.636 0.778 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001182985069 1068807368 /nfs/dbraw/zinc/80/73/68/1068807368.db2.gz YHWGAASBFACKAY-QYZOEREBSA-N 0 0 473.636 0.778 20 30 JCEDRN COC(=O)c1ccnc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)c1 ZINC001182985072 1068807357 /nfs/dbraw/zinc/80/73/57/1068807357.db2.gz YKVAEOPVCSGEBO-FHWLQOOXSA-N 0 0 462.547 0.945 20 30 JCEDRN COC(=O)c1ccnc(CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)c1 ZINC001182985073 1068807192 /nfs/dbraw/zinc/80/71/92/1068807192.db2.gz YKVAEOPVCSGEBO-QYZOEREBSA-N 0 0 462.547 0.945 20 30 JCEDRN COC(=O)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C(F)(F)F ZINC001182985080 1068807263 /nfs/dbraw/zinc/80/72/63/1068807263.db2.gz YSPDJVXCACZAKF-RFGFWPKPSA-N 0 0 453.458 0.667 20 30 JCEDRN COC(=O)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C(F)(F)F ZINC001182985081 1068807282 /nfs/dbraw/zinc/80/72/82/1068807282.db2.gz YSPDJVXCACZAKF-XDQVBPFNSA-N 0 0 453.458 0.667 20 30 JCEDRN COC(=O)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C(F)(F)F ZINC001182985082 1068807238 /nfs/dbraw/zinc/80/72/38/1068807238.db2.gz YSPDJVXCACZAKF-XUXIUFHCSA-N 0 0 453.458 0.667 20 30 JCEDRN COC(=O)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C(F)(F)F ZINC001182985083 1068807393 /nfs/dbraw/zinc/80/73/93/1068807393.db2.gz YSPDJVXCACZAKF-ZOBORPQBSA-N 0 0 453.458 0.667 20 30 JCEDRN CSc1nc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)cc(=O)n1C ZINC001182985090 1068807324 /nfs/dbraw/zinc/80/73/24/1068807324.db2.gz ZASNECRGRCUHKR-COXVUDFISA-N 0 0 467.592 0.901 20 30 JCEDRN CSc1nc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)cc(=O)n1C ZINC001182985091 1068807120 /nfs/dbraw/zinc/80/71/20/1068807120.db2.gz ZASNECRGRCUHKR-JQFCIGGWSA-N 0 0 467.592 0.901 20 30 JCEDRN COC(=O)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OC(C)(C)C ZINC001182985100 1068807423 /nfs/dbraw/zinc/80/74/23/1068807423.db2.gz ZKVBZTPHAKHMKJ-CAMMJAKZSA-N 0 0 499.605 0.837 20 30 JCEDRN COC(=O)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OC(C)(C)C ZINC001182985101 1068807213 /nfs/dbraw/zinc/80/72/13/1068807213.db2.gz ZKVBZTPHAKHMKJ-NEPXVJNWSA-N 0 0 499.605 0.837 20 30 JCEDRN COc1ncnc(OC)c1CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182985102 1068807143 /nfs/dbraw/zinc/80/71/43/1068807143.db2.gz ZLAZHWIUECQWIZ-IKGGRYGDSA-N 0 0 465.551 0.571 20 30 JCEDRN COc1ncnc(OC)c1CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182985103 1068807313 /nfs/dbraw/zinc/80/73/13/1068807313.db2.gz ZLAZHWIUECQWIZ-ULQDDVLXSA-N 0 0 465.551 0.571 20 30 JCEDRN COCCn1cncc1CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182985104 1068807434 /nfs/dbraw/zinc/80/74/34/1068807434.db2.gz ZLVAEFZIMBSABN-FHWLQOOXSA-N 0 0 451.568 0.606 20 30 JCEDRN COCCn1cncc1CNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182985105 1068807403 /nfs/dbraw/zinc/80/74/03/1068807403.db2.gz ZLVAEFZIMBSABN-QYZOEREBSA-N 0 0 451.568 0.606 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001182985142 1068807297 /nfs/dbraw/zinc/80/72/97/1068807297.db2.gz VDSDIFRJOZSLGD-ANULTFPQSA-N 0 0 487.601 0.873 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001182985143 1068807869 /nfs/dbraw/zinc/80/78/69/1068807869.db2.gz VDSDIFRJOZSLGD-CGXNFDGLSA-N 0 0 487.601 0.873 20 30 JCEDRN COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182985186 1068807769 /nfs/dbraw/zinc/80/77/69/1068807769.db2.gz WBZIITSKVYIWCY-YRPNKDGESA-N 0 0 476.574 0.743 20 30 JCEDRN COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182985187 1068807603 /nfs/dbraw/zinc/80/76/03/1068807603.db2.gz WBZIITSKVYIWCY-ZRNYENFQSA-N 0 0 476.574 0.743 20 30 JCEDRN COC(=O)CC1(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CCOCC1 ZINC001182985347 1068807978 /nfs/dbraw/zinc/80/79/78/1068807978.db2.gz YGHQZDXVCJAECK-NEWSRXKRSA-N 0 0 469.579 0.676 20 30 JCEDRN COC(=O)CC1(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CCOCC1 ZINC001182985348 1068807657 /nfs/dbraw/zinc/80/76/57/1068807657.db2.gz YGHQZDXVCJAECK-WDSOQIARSA-N 0 0 469.579 0.676 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC001182985353 1068807578 /nfs/dbraw/zinc/80/75/78/1068807578.db2.gz YGTSUQREFOLXEO-QEJZJMRPSA-N 0 0 452.474 0.242 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC001182985361 1068807804 /nfs/dbraw/zinc/80/78/04/1068807804.db2.gz YGTSUQREFOLXEO-SNPRPXQTSA-N 0 0 452.474 0.242 20 30 JCEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1-n1cnnn1 ZINC001182985392 1068807956 /nfs/dbraw/zinc/80/79/56/1068807956.db2.gz YTNOASGBZLNULU-HOJAQTOUSA-N 0 0 471.562 0.739 20 30 JCEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1-n1cnnn1 ZINC001182985393 1068807841 /nfs/dbraw/zinc/80/78/41/1068807841.db2.gz YTNOASGBZLNULU-IHPCNDPISA-N 0 0 471.562 0.739 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@H]3CCNC3=O)cn2n1 ZINC001183003600 1068795229 /nfs/dbraw/zinc/79/52/29/1068795229.db2.gz WBFPQOPURUDUDF-ROUUACIJSA-N 0 0 494.556 0.025 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)[C@@H]3CCNC3=O)cn2n1 ZINC001183003603 1068795188 /nfs/dbraw/zinc/79/51/88/1068795188.db2.gz WBFPQOPURUDUDF-ZWKOTPCHSA-N 0 0 494.556 0.025 20 30 JCEDRN CS(=O)(=O)N1CC(C(=O)n2c(=N)c3c(N)nc(N4CCCC4)cc3c(C#N)c2N2CCCC2)C1 ZINC001183017427 1068809782 /nfs/dbraw/zinc/80/97/82/1068809782.db2.gz DYDNTTRZMVYZCY-UHFFFAOYSA-N 0 0 484.586 0.702 20 30 JCEDRN C=C(C[NH+]1CCCC1)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001183039666 1068808490 /nfs/dbraw/zinc/80/84/90/1068808490.db2.gz XBADTSQDYIUMOC-BFPDHSSHSA-N 0 0 466.391 0.191 20 30 JCEDRN C=C(C[NH+]1CCCC1)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001183039667 1068808259 /nfs/dbraw/zinc/80/82/59/1068808259.db2.gz XBADTSQDYIUMOC-ZLJVHPLZSA-N 0 0 466.391 0.191 20 30 JCEDRN C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001183068892 1068812249 /nfs/dbraw/zinc/81/22/49/1068812249.db2.gz IEXGPOYUGLZINS-INIZCTEOSA-N 0 0 457.574 0.538 20 30 JCEDRN C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001183068894 1068812187 /nfs/dbraw/zinc/81/21/87/1068812187.db2.gz IEXGPOYUGLZINS-MRXNPFEDSA-N 0 0 457.574 0.538 20 30 JCEDRN CN1C[C@@H](C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)NC1=O ZINC001183073523 1068810969 /nfs/dbraw/zinc/81/09/69/1068810969.db2.gz VXGGRBJELYQVIH-JYJNAYRXSA-N 0 0 450.515 0.092 20 30 JCEDRN CCc1c(C(=O)C(N)=O)c2c(cccc2OCC(=O)N[C@@H](C#N)C(N)=O)n1Cc1ccccc1 ZINC001183102905 1068813677 /nfs/dbraw/zinc/81/36/77/1068813677.db2.gz IMQFDTBRARYRKL-HNNXBMFYSA-N 0 0 461.478 0.792 20 30 JCEDRN CCc1c(C(=O)C(N)=O)c2c(cccc2OCC(=O)N[C@H](C#N)C(N)=O)n1Cc1ccccc1 ZINC001183102906 1068813444 /nfs/dbraw/zinc/81/34/44/1068813444.db2.gz IMQFDTBRARYRKL-OAHLLOKOSA-N 0 0 461.478 0.792 20 30 JCEDRN N#C[C@H](CC(=O)N[C@H]1[C@H](n2ccc(N)nc2=O)O[C@H](CO)[C@H]1O)c1c(Cl)cccc1Cl ZINC001183128937 1068812651 /nfs/dbraw/zinc/81/26/51/1068812651.db2.gz ZXWQJZUKVUKGQG-BLPOBKGRSA-N 0 0 468.297 0.808 20 30 JCEDRN N#C[C@@H](CC(=O)N[C@H]1[C@H](n2ccc(N)nc2=O)O[C@H](CO)[C@H]1O)c1c(Cl)cccc1Cl ZINC001183128938 1068813061 /nfs/dbraw/zinc/81/30/61/1068813061.db2.gz ZXWQJZUKVUKGQG-IXKRULLUSA-N 0 0 468.297 0.808 20 30 JCEDRN CC(=O)N1CSC[C@H]1C(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001183139369 1068814717 /nfs/dbraw/zinc/81/47/17/1068814717.db2.gz DBTDZDQVXDCXPX-BZSNNMDCSA-N 0 0 481.594 0.990 20 30 JCEDRN CCN1CCN(C(=O)N[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)c2ccccc2)C(=O)C1=O ZINC001183152335 1068818210 /nfs/dbraw/zinc/81/82/10/1068818210.db2.gz VQLNNIVKKKZRTG-LJQANCHMSA-N 0 0 490.524 0.138 20 30 JCEDRN CCN1CCN(C(=O)N[C@@H](C(=O)Nc2c(C#N)cnc3c(C#N)cnn32)c2ccccc2)C(=O)C1=O ZINC001183153525 1068819131 /nfs/dbraw/zinc/81/91/31/1068819131.db2.gz JOGKXBZEJCYTSO-QGZVFWFLSA-N 0 0 485.464 0.553 20 30 JCEDRN CCN1CCN(C(=O)N[C@@H](C(=O)N2CCC(C#N)(C(=O)OC)CC2)c2ccccc2)C(=O)C1=O ZINC001183154833 1068821220 /nfs/dbraw/zinc/82/12/20/1068821220.db2.gz JEUSDSHJEWNATJ-QGZVFWFLSA-N 0 0 469.498 0.433 20 30 JCEDRN CCN1CCN(C(=O)N[C@@H](C(=O)N(O)C(=N)c2ccccc2N)c2ccccc2)C(=O)C1=O ZINC001183154914 1068821510 /nfs/dbraw/zinc/82/15/10/1068821510.db2.gz MEYZGIMTCOQFBM-QGZVFWFLSA-N 0 0 452.471 0.954 20 30 JCEDRN C=C[C@H]1C[C@@]1(NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1)C(=O)OCC ZINC001183155036 1068821654 /nfs/dbraw/zinc/82/16/54/1068821654.db2.gz BSWCVACLMBAFJH-MFEFFIJZSA-N 0 0 456.499 0.752 20 30 JCEDRN C=C[C@@H]1C[C@@]1(NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1)C(=O)OCC ZINC001183155038 1068821597 /nfs/dbraw/zinc/82/15/97/1068821597.db2.gz BSWCVACLMBAFJH-QZMQVMSPSA-N 0 0 456.499 0.752 20 30 JCEDRN C=C[C@@H]1C[C@]1(NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1)C(=O)OCC ZINC001183155040 1068821634 /nfs/dbraw/zinc/82/16/34/1068821634.db2.gz BSWCVACLMBAFJH-SEPYTNNBSA-N 0 0 456.499 0.752 20 30 JCEDRN C=C[C@H]1C[C@]1(NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1)C(=O)OCC ZINC001183155042 1068821621 /nfs/dbraw/zinc/82/16/21/1068821621.db2.gz BSWCVACLMBAFJH-YGKZAACZSA-N 0 0 456.499 0.752 20 30 JCEDRN CCN1CCN(C(=O)N[C@@H](C(=O)N=C(NO)c2ccc(OC)cn2)c2ccccc2)C(=O)C1=O ZINC001183156350 1068825308 /nfs/dbraw/zinc/82/53/08/1068825308.db2.gz UCXJCFRVYUUDFN-QGZVFWFLSA-N 0 0 468.470 0.484 20 30 JCEDRN CCN1CCN(C(=O)N[C@@H](C(=O)Nc2c(C#N)cnn2C(=O)OC)c2ccccc2)C(=O)C1=O ZINC001183156360 1068825366 /nfs/dbraw/zinc/82/53/66/1068825366.db2.gz UHMGAXNBIRNAOI-OAHLLOKOSA-N 0 0 467.442 0.449 20 30 JCEDRN CCN1CCN(C(=O)N[C@@H](C(=O)N=C(N)c2ccc(C(N)=O)cc2)c2ccccc2)C(=O)C1=O ZINC001183156925 1068826144 /nfs/dbraw/zinc/82/61/44/1068826144.db2.gz XJUQGIBQHUESIQ-QGZVFWFLSA-N 0 0 464.482 0.159 20 30 JCEDRN CCN1CCN(C(=O)N[C@@H](C(=O)N=C(NO)c2ccc(C)cn2)c2ccccc2)C(=O)C1=O ZINC001183156936 1068826043 /nfs/dbraw/zinc/82/60/43/1068826043.db2.gz XSNXNVIRPDAFQY-QGZVFWFLSA-N 0 0 452.471 0.784 20 30 JCEDRN CC[C@@H](CO)C(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001183167682 1068827484 /nfs/dbraw/zinc/82/74/84/1068827484.db2.gz SKKRDMKBKCRTKT-HKUYNNGSSA-N 0 0 483.573 0.908 20 30 JCEDRN CC[C@H](CO)C(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001183167683 1068828366 /nfs/dbraw/zinc/82/83/66/1068828366.db2.gz SKKRDMKBKCRTKT-MJGOQNOKSA-N 0 0 483.573 0.908 20 30 JCEDRN CC[C@H](CO)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001183174699 1068822313 /nfs/dbraw/zinc/82/23/13/1068822313.db2.gz XJUDHXPWFVUUTH-DNVCBOLYSA-N 0 0 457.506 0.710 20 30 JCEDRN CC[C@@H](CO)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001183174700 1068822045 /nfs/dbraw/zinc/82/20/45/1068822045.db2.gz XJUDHXPWFVUUTH-HNAYVOBHSA-N 0 0 457.506 0.710 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)C(O)C(F)(F)F ZINC001183199032 1068831895 /nfs/dbraw/zinc/83/18/95/1068831895.db2.gz QNNOEOUHUIFFGQ-XEZPLFJOSA-N 0 0 450.433 0.992 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@H](O)C(F)(F)F)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001183200599 1068831800 /nfs/dbraw/zinc/83/18/00/1068831800.db2.gz GMQAJSBJQUXFKK-QAPCUYQASA-N 0 0 483.422 0.614 20 30 JCEDRN C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C#N)C(N)=O)c(O)c2C(=O)O1 ZINC001183220313 1068827913 /nfs/dbraw/zinc/82/79/13/1068827913.db2.gz LLHCQYXOTXJCKP-NVGVWMPQSA-N 0 0 484.896 0.982 20 30 JCEDRN C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C#N)C(N)=O)c(O)c2C(=O)O1 ZINC001183220314 1068828286 /nfs/dbraw/zinc/82/82/86/1068828286.db2.gz LLHCQYXOTXJCKP-ZTFRIQLXSA-N 0 0 484.896 0.982 20 30 JCEDRN CCOC(=O)C(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001183250154 1068833098 /nfs/dbraw/zinc/83/30/98/1068833098.db2.gz MKQOKZQKHRUJAL-KRWDZBQOSA-N 0 0 483.529 0.452 20 30 JCEDRN CCOC(=O)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001183253773 1068833980 /nfs/dbraw/zinc/83/39/80/1068833980.db2.gz LDMNWRBUSMYVAN-QGZVFWFLSA-N 0 0 457.462 0.254 20 30 JCEDRN C#CCNC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)CC1 ZINC001183268397 1068834343 /nfs/dbraw/zinc/83/43/43/1068834343.db2.gz PJWYFYNGWLWBFV-UHFFFAOYSA-N 0 0 454.531 0.945 20 30 JCEDRN CCCCC(=O)NCC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001183270722 1068834201 /nfs/dbraw/zinc/83/42/01/1068834201.db2.gz CDGCURVMOUVPCC-HXUWFJFHSA-N 0 0 498.559 0.997 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@@H](CO)C(F)(F)F)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001183288352 1068837733 /nfs/dbraw/zinc/83/77/33/1068837733.db2.gz TXUDPADGLZGRDO-IAGOWNOFSA-N 0 0 497.449 0.862 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@H](CO)C(F)(F)F)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001183288355 1068834251 /nfs/dbraw/zinc/83/42/51/1068834251.db2.gz TXUDPADGLZGRDO-SJORKVTESA-N 0 0 497.449 0.862 20 30 JCEDRN N#Cc1ccccc1C1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001183292991 1068834226 /nfs/dbraw/zinc/83/42/26/1068834226.db2.gz XEYKTWRTDBOBRL-NLWGTHIKSA-N 0 0 457.552 0.710 20 30 JCEDRN N#Cc1ccccc1C1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001183292997 1068834430 /nfs/dbraw/zinc/83/44/30/1068834430.db2.gz XEYKTWRTDBOBRL-QWFCFKBJSA-N 0 0 457.552 0.710 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2C#N)CC1)C(=O)NCC(N)=O ZINC001183293851 1068834510 /nfs/dbraw/zinc/83/45/10/1068834510.db2.gz UWJPCPKMDPUMMB-OALUTQOASA-N 0 0 453.543 0.713 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)C2(c3ccccc3C#N)CC2)[C@H]1O ZINC001183295260 1068834408 /nfs/dbraw/zinc/83/44/08/1068834408.db2.gz YMJMVNCGBGFXND-BZSOYRFXSA-N 0 0 463.498 0.231 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C1(c2ccccc2C#N)CC1)C(N)=O ZINC001183296263 1068834540 /nfs/dbraw/zinc/83/45/40/1068834540.db2.gz AHNFBMVHQHTFRI-OALUTQOASA-N 0 0 487.626 0.960 20 30 JCEDRN CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001183414204 1068841041 /nfs/dbraw/zinc/84/10/41/1068841041.db2.gz MSNWAOYPNAVDDG-VWKPWSFCSA-N 0 0 476.522 0.530 20 30 JCEDRN COC(=O)[C@H](CS)NC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C ZINC001183415113 1068841938 /nfs/dbraw/zinc/84/19/38/1068841938.db2.gz AHRYJUZHQMOQMI-WLLUSJSYSA-N 0 0 451.570 0.364 20 30 JCEDRN C=C(C)C(=O)NCCCNC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C ZINC001183415277 1068841698 /nfs/dbraw/zinc/84/16/98/1068841698.db2.gz CTFYLAXMAGYHKT-KGVIQGDOSA-N 0 0 458.584 0.975 20 30 JCEDRN CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)N1CCN(CCC#N)CC1 ZINC001183415442 1068842508 /nfs/dbraw/zinc/84/25/08/1068842508.db2.gz HPMYEZUYCOZXAJ-XQBPLPMBSA-N 0 0 455.584 0.834 20 30 JCEDRN CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)N=C(N)c1ccc(C(N)=O)cc1 ZINC001183415539 1068842471 /nfs/dbraw/zinc/84/24/71/1068842471.db2.gz GHDNIKQXBVOVQM-IEGUWTFLSA-N 0 0 479.562 0.807 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C)C(=O)NO ZINC001183418110 1068845876 /nfs/dbraw/zinc/84/58/76/1068845876.db2.gz WULUBOGJNQPKIG-YHXHNGJMSA-N 0 0 462.572 0.813 20 30 JCEDRN CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)N[C@@H](C#N)C(N)=O ZINC001183428454 1068847593 /nfs/dbraw/zinc/84/75/93/1068847593.db2.gz UNTIDUNHOANULQ-TWFFJXMTSA-N 0 0 495.561 0.893 20 30 JCEDRN CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)N[C@H](C#N)C(N)=O ZINC001183428455 1068847674 /nfs/dbraw/zinc/84/76/74/1068847674.db2.gz UNTIDUNHOANULQ-ZLAJIECUSA-N 0 0 495.561 0.893 20 30 JCEDRN C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001183431678 1068847697 /nfs/dbraw/zinc/84/76/97/1068847697.db2.gz WFXDYBLTUWGTAN-AZGAXMCYSA-N 0 0 462.430 0.173 20 30 JCEDRN C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001183431679 1068847619 /nfs/dbraw/zinc/84/76/19/1068847619.db2.gz WFXDYBLTUWGTAN-RXRZBYEWSA-N 0 0 462.430 0.173 20 30 JCEDRN NOCCNC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21 ZINC001183453839 1068850129 /nfs/dbraw/zinc/85/01/29/1068850129.db2.gz BEDRPZWBJBMQEN-XSLAGTTESA-N 0 0 466.629 0.863 20 30 JCEDRN O=C(N[C@H]1CCS[C@H]2CCC[C@@H](C(=O)NC[C@@H](O)CO)N2C1=O)[C@@H](S)Cc1ccccc1 ZINC001183453934 1068850073 /nfs/dbraw/zinc/85/00/73/1068850073.db2.gz BWZBUPSSARXIJM-BCYZHJNNSA-N 0 0 481.640 0.326 20 30 JCEDRN CN(C[C@@H](O)CO)C(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21 ZINC001183453949 1068850059 /nfs/dbraw/zinc/85/00/59/1068850059.db2.gz CHSILXOOJUVITR-DEPCRRQNSA-N 0 0 495.667 0.668 20 30 JCEDRN CN(C[C@H](O)CO)C(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21 ZINC001183453951 1068850018 /nfs/dbraw/zinc/85/00/18/1068850018.db2.gz CHSILXOOJUVITR-HVTWWXFQSA-N 0 0 495.667 0.668 20 30 JCEDRN NC(=O)CCNC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21 ZINC001183454053 1068849944 /nfs/dbraw/zinc/84/99/44/1068849944.db2.gz FENWPOZQPNSILB-DWRORGKVSA-N 0 0 478.640 0.848 20 30 JCEDRN NC(=O)C1(NC(=O)[C@@H]2CCC[C@@H]3SCC[C@H](NC(=O)[C@@H](S)Cc4ccccc4)C(=O)N32)CC1 ZINC001183454256 1068850182 /nfs/dbraw/zinc/85/01/82/1068850182.db2.gz HJSPYKDDJAPEJH-XSLAGTTESA-N 0 0 490.651 0.991 20 30 JCEDRN NC(=O)CNC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21 ZINC001183454397 1068850049 /nfs/dbraw/zinc/85/00/49/1068850049.db2.gz JUUNMPSGRCUJRK-OVWQWFNUSA-N 0 0 464.613 0.458 20 30 JCEDRN O=C(CCO)CNC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21 ZINC001183454684 1068850101 /nfs/dbraw/zinc/85/01/01/1068850101.db2.gz MDGILTVPOQJKEP-MUGJNUQGSA-N 0 0 493.651 0.924 20 30 JCEDRN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21 ZINC001183454837 1068850163 /nfs/dbraw/zinc/85/01/63/1068850163.db2.gz OECWWZNSDQHEPJ-IHMBJBNHSA-N 0 0 495.667 0.714 20 30 JCEDRN O=C(N[C@H]1CCS[C@H]2CCC[C@@H](C(=O)NCCO)N2C1=O)[C@@H](S)Cc1ccccc1 ZINC001183455220 1068850501 /nfs/dbraw/zinc/85/05/01/1068850501.db2.gz SAROBHZXEKLSGR-XSLAGTTESA-N 0 0 451.614 0.965 20 30 JCEDRN N#C[C@@H](NC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21)C(N)=O ZINC001183455320 1068850518 /nfs/dbraw/zinc/85/05/18/1068850518.db2.gz SZWRRXXJBGLGNT-ADHGMGHFSA-N 0 0 489.623 0.350 20 30 JCEDRN N#C[C@H](NC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N21)C(N)=O ZINC001183455323 1068850744 /nfs/dbraw/zinc/85/07/44/1068850744.db2.gz SZWRRXXJBGLGNT-ATIWLJMLSA-N 0 0 489.623 0.350 20 30 JCEDRN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)Nc3c(C#N)cnc4c(C#N)cnn43)=C([C@H]3CCCO3)S[C@H]12 ZINC001183457654 1068850716 /nfs/dbraw/zinc/85/07/16/1068850716.db2.gz CSGSVUBFKAGQIT-LBUAVTOOSA-N 0 0 451.468 0.714 20 30 JCEDRN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N3CCN(c4nccnc4C#N)CC3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183460722 1068853473 /nfs/dbraw/zinc/85/34/73/1068853473.db2.gz VWMHRKNVGUPFND-FVFKCLOFSA-N 0 0 456.528 0.300 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)C1=C[C@@](C)(O)C=C[C@@H]1O ZINC001183540537 1068858379 /nfs/dbraw/zinc/85/83/79/1068858379.db2.gz VSJHBQRJKBMGTM-ANEIOGAWSA-N 0 0 476.549 0.677 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)C1=C[C@](C)(O)C=C[C@H]1O ZINC001183540539 1068858204 /nfs/dbraw/zinc/85/82/04/1068858204.db2.gz VSJHBQRJKBMGTM-MDWCYVBFSA-N 0 0 476.549 0.677 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)C1=C[C@](C)(O)C=C[C@@H]1O ZINC001183540541 1068858418 /nfs/dbraw/zinc/85/84/18/1068858418.db2.gz VSJHBQRJKBMGTM-QPBWXXGLSA-N 0 0 476.549 0.677 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)C1=C[C@@](C)(O)C=C[C@H]1O ZINC001183540543 1068858249 /nfs/dbraw/zinc/85/82/49/1068858249.db2.gz VSJHBQRJKBMGTM-RVQUTYLMSA-N 0 0 476.549 0.677 20 30 JCEDRN N#C[C@H](Cc1ccc(O)cc1)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001183608421 1068859559 /nfs/dbraw/zinc/85/95/59/1068859559.db2.gz KXWHJMJDSTZYOQ-JTQLQIEISA-N 0 0 458.905 0.661 20 30 JCEDRN N#C[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001183608422 1068859329 /nfs/dbraw/zinc/85/93/29/1068859329.db2.gz KXWHJMJDSTZYOQ-SNVBAGLBSA-N 0 0 458.905 0.661 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C#N)Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001183608461 1068860020 /nfs/dbraw/zinc/86/00/20/1068860020.db2.gz IHVJYXPCLSJNRK-NEWSRXKRSA-N 0 0 457.531 0.198 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C#N)Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001183608462 1068859784 /nfs/dbraw/zinc/85/97/84/1068859784.db2.gz IHVJYXPCLSJNRK-WDSOQIARSA-N 0 0 457.531 0.198 20 30 JCEDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](C#N)Cc2ccc(O)cc2)CC3)C1=O ZINC001183611209 1068860000 /nfs/dbraw/zinc/86/00/00/1068860000.db2.gz DHHSWAGZFAZDEE-FDDCHVKYSA-N 0 0 474.583 0.807 20 30 JCEDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](C#N)Cc2ccc(O)cc2)CC3)C1=O ZINC001183611210 1068860085 /nfs/dbraw/zinc/86/00/85/1068860085.db2.gz DHHSWAGZFAZDEE-JPYJTQIMSA-N 0 0 474.583 0.807 20 30 JCEDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](C#N)Cc2ccc(O)cc2)CC3)C1=O ZINC001183611211 1068860070 /nfs/dbraw/zinc/86/00/70/1068860070.db2.gz DHHSWAGZFAZDEE-MBSDFSHPSA-N 0 0 474.583 0.807 20 30 JCEDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](C#N)Cc2ccc(O)cc2)CC3)C1=O ZINC001183611212 1068860033 /nfs/dbraw/zinc/86/00/33/1068860033.db2.gz DHHSWAGZFAZDEE-WZONZLPQSA-N 0 0 474.583 0.807 20 30 JCEDRN N#C[C@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001183612500 1068860177 /nfs/dbraw/zinc/86/01/77/1068860177.db2.gz NOCKKPQAJMFEKX-FFZOFVMBSA-N 0 0 483.550 0.624 20 30 JCEDRN N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001183612501 1068859919 /nfs/dbraw/zinc/85/99/19/1068859919.db2.gz NOCKKPQAJMFEKX-LSTHTHJFSA-N 0 0 483.550 0.624 20 30 JCEDRN N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001183613260 1068862443 /nfs/dbraw/zinc/86/24/43/1068862443.db2.gz SDZYTGAHGYURAQ-GSEOLPGOSA-N 0 0 461.540 0.195 20 30 JCEDRN N#C[C@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001183613264 1068862621 /nfs/dbraw/zinc/86/26/21/1068862621.db2.gz SDZYTGAHGYURAQ-IJXRJRJASA-N 0 0 461.540 0.195 20 30 JCEDRN N#C[C@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001183613265 1068862733 /nfs/dbraw/zinc/86/27/33/1068862733.db2.gz SDZYTGAHGYURAQ-MTFMMBMASA-N 0 0 461.540 0.195 20 30 JCEDRN N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001183613266 1068862809 /nfs/dbraw/zinc/86/28/09/1068862809.db2.gz SDZYTGAHGYURAQ-VBSBHUPXSA-N 0 0 461.540 0.195 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C#N)Cc1ccc(O)cc1)C(N)=O ZINC001183615512 1068862766 /nfs/dbraw/zinc/86/27/66/1068862766.db2.gz DHTCAQJGKZJOPU-NEWSRXKRSA-N 0 0 491.614 0.445 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C#N)Cc1ccc(O)cc1)C(N)=O ZINC001183615513 1068862786 /nfs/dbraw/zinc/86/27/86/1068862786.db2.gz DHTCAQJGKZJOPU-WDSOQIARSA-N 0 0 491.614 0.445 20 30 JCEDRN C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)C1 ZINC001183626377 1068862576 /nfs/dbraw/zinc/86/25/76/1068862576.db2.gz ZQDMEZWDQXYSGC-YNZWCRRESA-N 0 0 464.519 0.978 20 30 JCEDRN C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001183627765 1068862510 /nfs/dbraw/zinc/86/25/10/1068862510.db2.gz ZDHXKXOONPOSOV-QQMNAOGKSA-N 0 0 474.562 0.869 20 30 JCEDRN CC1(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CCS(=O)(=O)CC1 ZINC001183631862 1068864529 /nfs/dbraw/zinc/86/45/29/1068864529.db2.gz ZUJOZVAQIIRGJE-JOCHJYFZSA-N 0 0 461.540 0.734 20 30 JCEDRN CC1(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CCS(=O)(=O)CC1 ZINC001183631866 1068864748 /nfs/dbraw/zinc/86/47/48/1068864748.db2.gz ZUJOZVAQIIRGJE-QFIPXVFZSA-N 0 0 461.540 0.734 20 30 JCEDRN C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CC(=O)N(CC[N@@H+](C)CCOC)C3)cc2[n-]c1=S ZINC001183647932 1068861761 /nfs/dbraw/zinc/86/17/61/1068861761.db2.gz PCPNNPAGWCNBAC-INIZCTEOSA-N 0 0 459.572 0.780 20 30 JCEDRN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[N@@H+](C)CCOC)C3)cc2[n-]c1=S ZINC001183647933 1068862031 /nfs/dbraw/zinc/86/20/31/1068862031.db2.gz PCPNNPAGWCNBAC-MRXNPFEDSA-N 0 0 459.572 0.780 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c1N1CCCC1 ZINC001183653560 1068862686 /nfs/dbraw/zinc/86/26/86/1068862686.db2.gz GHKRMVDODKOCQC-UHFFFAOYSA-N 0 0 493.503 0.912 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183659879 1068866874 /nfs/dbraw/zinc/86/68/74/1068866874.db2.gz HVPXVFAKGQCNOD-GJZGRUSLSA-N 0 0 494.499 0.170 20 30 JCEDRN CC(=O)N[C@H](C(=O)n1c(=N)c2c(N)nc(N3CCCC3)cc2c(C#N)c1N1CCCC1)[C@@H](C)O ZINC001183695025 1068865850 /nfs/dbraw/zinc/86/58/50/1068865850.db2.gz LMGMBXYJFKYYLF-YJYMSZOUSA-N 0 0 466.546 0.696 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(N)=O)cc1)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001183705725 1068868571 /nfs/dbraw/zinc/86/85/71/1068868571.db2.gz MOLFSIYWIFEOGY-INIZCTEOSA-N 0 0 480.529 0.857 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(N)=O)cc1)C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001183706073 1068868478 /nfs/dbraw/zinc/86/84/78/1068868478.db2.gz SEVXCCWIJJHJGY-ZDUSSCGKSA-N 0 0 450.459 0.976 20 30 JCEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001183709596 1068869229 /nfs/dbraw/zinc/86/92/29/1068869229.db2.gz ILGFZHGEKQUZPI-FZMZJTMJSA-N 0 0 458.523 0.527 20 30 JCEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001183710045 1068869300 /nfs/dbraw/zinc/86/93/00/1068869300.db2.gz CLVVXZGTHNZKBH-RDJZCZTQSA-N 0 0 457.535 0.901 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)C[C@@H]4NC(=O)CNC4=O)cc3)CC2)cc1 ZINC001183727227 1068872220 /nfs/dbraw/zinc/87/22/20/1068872220.db2.gz QMEMVTLTDZEVBW-FQEVSTJZSA-N 0 0 460.494 0.464 20 30 JCEDRN CCCCCCCCCCCC(=O)N[C@@H](CNC(=O)C[C@@H]1NC(=O)CNC1=O)C(=O)NCC ZINC001183729303 1068872327 /nfs/dbraw/zinc/87/23/27/1068872327.db2.gz NNAIRVGUYRRSCU-ROUUACIJSA-N 0 0 467.611 0.649 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCN(c3nccnc3C#N)CC2)cc1 ZINC001183772164 1068875254 /nfs/dbraw/zinc/87/52/54/1068875254.db2.gz QDSGDCRKUVYUPT-FQEVSTJZSA-N 0 0 497.581 0.275 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)Nc2c(C#N)cnc3c(C#N)cnn32)cc1 ZINC001183772761 1068875608 /nfs/dbraw/zinc/87/56/08/1068875608.db2.gz GOVHETQTCVTDSB-SFHVURJKSA-N 0 0 492.521 0.689 20 30 JCEDRN C#Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)c(C#C)n1 ZINC001183773028 1068876179 /nfs/dbraw/zinc/87/61/79/1068876179.db2.gz JUALEVYKKZVMPW-IBGZPJMESA-N 0 0 451.508 0.656 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001183773265 1068876342 /nfs/dbraw/zinc/87/63/42/1068876342.db2.gz YBRYFNCIYFUPGO-SFHVURJKSA-N 0 0 476.555 0.570 20 30 JCEDRN C=C(C)C(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183775469 1068877747 /nfs/dbraw/zinc/87/77/47/1068877747.db2.gz ABTQIFZKZRHAPI-SFHVURJKSA-N 0 0 450.561 0.463 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NO)cc1 ZINC001183776105 1068878774 /nfs/dbraw/zinc/87/87/74/1068878774.db2.gz GXZAPDWBOKLFKF-IRXDYDNUSA-N 0 0 454.549 0.301 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)NO)nc1 ZINC001183776192 1068878840 /nfs/dbraw/zinc/87/88/40/1068878840.db2.gz JVUSZPOIABEULN-SFHVURJKSA-N 0 0 475.527 0.620 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183776776 1068880042 /nfs/dbraw/zinc/88/00/42/1068880042.db2.gz QTYSRJWEJAKLOZ-INIZCTEOSA-N 0 0 474.499 0.586 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N=C(N)c2ccc(C(N)=O)cc2)cc1 ZINC001183776777 1068879985 /nfs/dbraw/zinc/87/99/85/1068879985.db2.gz QUEHVYADQLFAGY-SFHVURJKSA-N 0 0 471.539 0.295 20 30 JCEDRN C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)OCC ZINC001183777058 1068880569 /nfs/dbraw/zinc/88/05/69/1068880569.db2.gz UNRGRVGRQDNNFQ-NRJQMVOHSA-N 0 0 463.556 0.888 20 30 JCEDRN C=C[C@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)OCC ZINC001183777059 1068880600 /nfs/dbraw/zinc/88/06/00/1068880600.db2.gz UNRGRVGRQDNNFQ-SGXKBVARSA-N 0 0 463.556 0.888 20 30 JCEDRN C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)OCC ZINC001183777060 1068880589 /nfs/dbraw/zinc/88/05/89/1068880589.db2.gz UNRGRVGRQDNNFQ-TVTNDZMWSA-N 0 0 463.556 0.888 20 30 JCEDRN C=C[C@H]1C[C@@]1(NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)OCC ZINC001183777061 1068880563 /nfs/dbraw/zinc/88/05/63/1068880563.db2.gz UNRGRVGRQDNNFQ-ZJBJCVSYSA-N 0 0 463.556 0.888 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N=C(NO)c2ccc(C)cn2)cc1 ZINC001183777063 1068880620 /nfs/dbraw/zinc/88/06/20/1068880620.db2.gz UOZWFHLRPWENJB-SFHVURJKSA-N 0 0 459.528 0.920 20 30 JCEDRN C=CC[C@@](C)(NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)OC ZINC001183777079 1068880450 /nfs/dbraw/zinc/88/04/50/1068880450.db2.gz SADVQDZQKUORKJ-LAUBAEHRSA-N 0 0 451.545 0.888 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C1(C2CC2)CC1)C(=O)OCC ZINC001183805679 1068885433 /nfs/dbraw/zinc/88/54/33/1068885433.db2.gz RUTDONDSTUXRCN-GJZGRUSLSA-N 0 0 471.576 0.099 20 30 JCEDRN N#Cc1ccccc1CN1CCCC[C@H]1C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001183828539 1068885648 /nfs/dbraw/zinc/88/56/48/1068885648.db2.gz JEMBYCWHKNJTOE-KRWDZBQOSA-N 0 0 450.503 0.827 20 30 JCEDRN N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001183828540 1068885552 /nfs/dbraw/zinc/88/55/52/1068885552.db2.gz JEMBYCWHKNJTOE-QGZVFWFLSA-N 0 0 450.503 0.827 20 30 JCEDRN N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183839028 1068885497 /nfs/dbraw/zinc/88/54/97/1068885497.db2.gz GACSVNRIJCRFNV-FDFHNCONSA-N 0 0 477.569 0.840 20 30 JCEDRN N#Cc1ccccc1CN1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183839029 1068885522 /nfs/dbraw/zinc/88/55/22/1068885522.db2.gz GACSVNRIJCRFNV-FKBYEOEOSA-N 0 0 477.569 0.840 20 30 JCEDRN Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3CCCCN3Cc3ccccc3C#N)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001183841651 1068885706 /nfs/dbraw/zinc/88/57/06/1068885706.db2.gz OCDBFUXUZUWWFF-DOIPELPJSA-N 0 0 467.526 0.948 20 30 JCEDRN Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3Cc3ccccc3C#N)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001183841653 1068885358 /nfs/dbraw/zinc/88/53/58/1068885358.db2.gz OCDBFUXUZUWWFF-UWHLTILDSA-N 0 0 467.526 0.948 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C1CCC2(CC2)CC1)C(=O)OCC ZINC001183883464 1068890361 /nfs/dbraw/zinc/89/03/61/1068890361.db2.gz IQQCMBJOTAWFLR-IRXDYDNUSA-N 0 0 499.630 0.879 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@H](O)Cc4ccc(O)cc4)C3)OCC2=O)cc1 ZINC001183895398 1068890386 /nfs/dbraw/zinc/89/03/86/1068890386.db2.gz JXEAWZHMEWETFL-QPPBQGQZSA-N 0 0 451.479 0.828 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@@H](O)Cc4ccc(O)cc4)C3)OCC2=O)cc1 ZINC001183895405 1068890450 /nfs/dbraw/zinc/89/04/50/1068890450.db2.gz JXEAWZHMEWETFL-URXFXBBRSA-N 0 0 451.479 0.828 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@@H](O)Cc4ccc(O)cc4)C3)OCC2=O)cc1 ZINC001183895407 1068890420 /nfs/dbraw/zinc/89/04/20/1068890420.db2.gz JXEAWZHMEWETFL-XUZZJYLKSA-N 0 0 451.479 0.828 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@H](O)Cc4ccc(O)cc4)C3)OCC2=O)cc1 ZINC001183895409 1068890202 /nfs/dbraw/zinc/89/02/02/1068890202.db2.gz JXEAWZHMEWETFL-ZJSXRUAMSA-N 0 0 451.479 0.828 20 30 JCEDRN C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)NC1=O ZINC001184063242 1068899182 /nfs/dbraw/zinc/89/91/82/1068899182.db2.gz IDBMPENMIGNAAB-CEXJFXJFSA-N 0 0 454.531 0.182 20 30 JCEDRN C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)NC1=O ZINC001184063243 1068899137 /nfs/dbraw/zinc/89/91/37/1068899137.db2.gz IDBMPENMIGNAAB-TXBYWVTISA-N 0 0 454.531 0.182 20 30 JCEDRN C[C@@H]1NC(=O)[C@H](CCC(=O)Nc2nc(Cl)nc3c2c(C#N)c(Br)n3C)NC1=O ZINC001184063915 1068899775 /nfs/dbraw/zinc/89/97/75/1068899775.db2.gz PZKMWRFWVYLXNG-XPUUQOCRSA-N 0 0 468.699 0.978 20 30 JCEDRN C[C@@H]1NC(=O)[C@H](CCC(=O)N(O)C(=Nc2ccc(F)c(Cl)c2)c2nonc2N)NC1=O ZINC001184065129 1068899882 /nfs/dbraw/zinc/89/98/82/1068899882.db2.gz XHWDBFOMRWXZPH-CPCISQLKSA-N 0 0 453.818 0.524 20 30 JCEDRN C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)NC1=O ZINC001184075342 1068901244 /nfs/dbraw/zinc/90/12/44/1068901244.db2.gz XVLHKAGGMULGBH-GERBCZOESA-N 0 0 453.543 0.787 20 30 JCEDRN C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)NC1=O ZINC001184075343 1068901067 /nfs/dbraw/zinc/90/10/67/1068901067.db2.gz XVLHKAGGMULGBH-REIDKSKDSA-N 0 0 453.543 0.787 20 30 JCEDRN C[C@@H]1O[C@@H](OCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccc(C#N)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001184088226 1068903304 /nfs/dbraw/zinc/90/33/04/1068903304.db2.gz NLQTVUCDURHPPE-OJMCNWIISA-N 0 0 479.530 0.474 20 30 JCEDRN C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(NC(=O)CC[C@@H]2NC(=O)[C@H](C)NC2=O)c1 ZINC001184091290 1068903387 /nfs/dbraw/zinc/90/33/87/1068903387.db2.gz VHQLFDYNLRGYPZ-BNXYOADYSA-N 0 0 452.511 0.857 20 30 JCEDRN C#CC[C@]1(C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)CCCN1C(=O)OC(C)(C)C ZINC001184103548 1068904420 /nfs/dbraw/zinc/90/44/20/1068904420.db2.gz VPFKUACZHQLVID-OAQYLSRUSA-N 0 0 459.507 0.694 20 30 JCEDRN C#CC[C@]1(C(=O)N2CC3(C2)[C@@H](C(=O)OC)CCS3(=O)=O)CCCN1C(=O)OC(C)(C)C ZINC001184103746 1068904432 /nfs/dbraw/zinc/90/44/32/1068904432.db2.gz HOLWJSRPBGOBLY-FOIQADDNSA-N 0 0 454.545 0.968 20 30 JCEDRN C#CC[C@]1(C(=O)N2CC3(C2)[C@H](C(=O)OC)CCS3(=O)=O)CCCN1C(=O)OC(C)(C)C ZINC001184103748 1068904446 /nfs/dbraw/zinc/90/44/46/1068904446.db2.gz HOLWJSRPBGOBLY-MGPUTAFESA-N 0 0 454.545 0.968 20 30 JCEDRN C#CC[C@]1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C ZINC001184104749 1068904529 /nfs/dbraw/zinc/90/45/29/1068904529.db2.gz KPUFRVPHFOLCOX-LLJLJFOGSA-N 0 0 486.573 0.706 20 30 JCEDRN C#CC[C@]1(C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CCCN1C(=O)OC(C)(C)C ZINC001184104868 1068904369 /nfs/dbraw/zinc/90/43/69/1068904369.db2.gz QHZNGPDLGIXLMU-MTNXABLMSA-N 0 0 476.530 0.815 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2C#N)C[C@H]1C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001184106279 1068904507 /nfs/dbraw/zinc/90/45/07/1068904507.db2.gz OOIAHDZBJNHVLZ-RJGLBQMWSA-N 0 0 459.543 0.945 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2C#N)C[C@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001184109380 1068904553 /nfs/dbraw/zinc/90/45/53/1068904553.db2.gz RYIAOFKVRNXTBN-CKMGUBGDSA-N 0 0 455.563 0.245 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2C#N)C[C@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001184109381 1068904497 /nfs/dbraw/zinc/90/44/97/1068904497.db2.gz RYIAOFKVRNXTBN-GIOXJEDJSA-N 0 0 455.563 0.245 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2C#N)C[C@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001184109382 1068904461 /nfs/dbraw/zinc/90/44/61/1068904461.db2.gz RYIAOFKVRNXTBN-KATXQCMRSA-N 0 0 455.563 0.245 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2C#N)C[C@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001184109383 1068904478 /nfs/dbraw/zinc/90/44/78/1068904478.db2.gz RYIAOFKVRNXTBN-SSRYDLFMSA-N 0 0 455.563 0.245 20 30 JCEDRN CCOC(=O)[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001184227497 1068910319 /nfs/dbraw/zinc/91/03/19/1068910319.db2.gz GPQJWZMHRNUYKB-DNVCBOLYSA-N 0 0 485.516 0.890 20 30 JCEDRN CCOC(=O)[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001184227498 1068910607 /nfs/dbraw/zinc/91/06/07/1068910607.db2.gz GPQJWZMHRNUYKB-HNAYVOBHSA-N 0 0 485.516 0.890 20 30 JCEDRN CN(C)c1cccc2c1cccc2S(=O)(=O)NCC(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001184233195 1068910328 /nfs/dbraw/zinc/91/03/28/1068910328.db2.gz HGUMJHWPXDJOLQ-UHFFFAOYSA-N 0 0 480.554 0.820 20 30 JCEDRN CN(C)c1cccc2c1cccc2S(=O)(=O)NCC(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001184234031 1068911084 /nfs/dbraw/zinc/91/10/84/1068911084.db2.gz WOIJRNOQIGKUND-UHFFFAOYSA-N 0 0 450.484 0.938 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CCC(=O)C1=CC=C[CH]1)C(N)=O ZINC001184247164 1068913183 /nfs/dbraw/zinc/91/31/83/1068913183.db2.gz IBTJWJXRKSHOIW-IPJJNNNSSA-N 0 0 488.609 0.267 20 30 JCEDRN COCCn1cc(N2C[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cn1 ZINC001184272936 1068910396 /nfs/dbraw/zinc/91/03/96/1068910396.db2.gz MLNOKPXKMOPHBK-HNNXBMFYSA-N 0 0 455.471 0.787 20 30 JCEDRN COCCn1cc(N2C[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cn1 ZINC001184272937 1068910431 /nfs/dbraw/zinc/91/04/31/1068910431.db2.gz MLNOKPXKMOPHBK-OAHLLOKOSA-N 0 0 455.471 0.787 20 30 JCEDRN CCCC#CC(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001184273738 1068910628 /nfs/dbraw/zinc/91/06/28/1068910628.db2.gz XZHZVNRTRYHKFP-FGSUIDRYSA-N 0 0 480.525 0.399 20 30 JCEDRN CCCC#CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001184274198 1068912439 /nfs/dbraw/zinc/91/24/39/1068912439.db2.gz JTJZIINPNAUESC-BOSXTWCSSA-N 0 0 465.620 0.772 20 30 JCEDRN CCCC#CC(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001184274237 1068913104 /nfs/dbraw/zinc/91/31/04/1068913104.db2.gz LBJDVUWCQLMTCI-QYRPDUKASA-N 0 0 455.467 0.661 20 30 JCEDRN CCCC#CC(=O)N[C@H](C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C ZINC001184275443 1068915707 /nfs/dbraw/zinc/91/57/07/1068915707.db2.gz CEBLXCMHENVUMB-FPOVZHCZSA-N 0 0 473.574 0.759 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001184308162 1068914840 /nfs/dbraw/zinc/91/48/40/1068914840.db2.gz FVZBDILFYILCKL-KZNAEPCWSA-N 0 0 456.561 0.397 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001184308163 1068915019 /nfs/dbraw/zinc/91/50/19/1068915019.db2.gz FVZBDILFYILCKL-RCCFBDPRSA-N 0 0 456.561 0.397 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001184308309 1068914978 /nfs/dbraw/zinc/91/49/78/1068914978.db2.gz HSOKQDMBBGDOMZ-ZWKOTPCHSA-N 0 0 478.571 0.826 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001184308752 1068915110 /nfs/dbraw/zinc/91/51/10/1068915110.db2.gz WKUQFVCHQGMGPG-IRXDYDNUSA-N 0 0 452.552 0.399 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001184310571 1068914954 /nfs/dbraw/zinc/91/49/54/1068914954.db2.gz PUCFQZDEXVRMJG-UHFFFAOYSA-N 0 0 453.926 0.863 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001184311651 1068915136 /nfs/dbraw/zinc/91/51/36/1068915136.db2.gz CLYMSKHVHXWDEZ-FSZSSBBTSA-N 0 0 455.529 0.807 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001184311652 1068914997 /nfs/dbraw/zinc/91/49/97/1068914997.db2.gz CLYMSKHVHXWDEZ-IEGBIBBISA-N 0 0 455.529 0.807 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001184311653 1068915478 /nfs/dbraw/zinc/91/54/78/1068915478.db2.gz CLYMSKHVHXWDEZ-KQGMHSTHSA-N 0 0 455.529 0.807 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001184311654 1068915504 /nfs/dbraw/zinc/91/55/04/1068915504.db2.gz CLYMSKHVHXWDEZ-UJVKHXRXSA-N 0 0 455.529 0.807 20 30 JCEDRN C=C(CC(=O)OCCCC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001184316295 1068915541 /nfs/dbraw/zinc/91/55/41/1068915541.db2.gz RHQAJCHBHKROME-IRXDYDNUSA-N 0 0 486.635 0.646 20 30 JCEDRN CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001184333444 1068918323 /nfs/dbraw/zinc/91/83/23/1068918323.db2.gz ZHOYSOQSBCBKAZ-MOPGFXCFSA-N 0 0 482.516 0.312 20 30 JCEDRN N#Cc1cccc(N2C[C@@H](C(=O)Nc3ccnc4c(N(CCO)CCO)cnn43)OC2=O)c1 ZINC001184374487 1068918923 /nfs/dbraw/zinc/91/89/23/1068918923.db2.gz RXNDUZCJLQPCFR-KRWDZBQOSA-N 0 0 451.443 0.356 20 30 JCEDRN N#Cc1cccc(N2C[C@H](C(=O)Nc3ccnc4c(N(CCO)CCO)cnn43)OC2=O)c1 ZINC001184374502 1068918825 /nfs/dbraw/zinc/91/88/25/1068918825.db2.gz RXNDUZCJLQPCFR-QGZVFWFLSA-N 0 0 451.443 0.356 20 30 JCEDRN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CN(c3cccc(C#N)c3)C(=O)O1)C2 ZINC001184375683 1068918737 /nfs/dbraw/zinc/91/87/37/1068918737.db2.gz BYCVYLXAUNVARU-INIZCTEOSA-N 0 0 453.459 0.122 20 30 JCEDRN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1CN(c3cccc(C#N)c3)C(=O)O1)C2 ZINC001184375688 1068918686 /nfs/dbraw/zinc/91/86/86/1068918686.db2.gz BYCVYLXAUNVARU-MRXNPFEDSA-N 0 0 453.459 0.122 20 30 JCEDRN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4CN(c5cccc(C#N)c5)C(=O)O4)CC[C@@H]32)cn1 ZINC001184375800 1068918946 /nfs/dbraw/zinc/91/89/46/1068918946.db2.gz DORNTCWHTPYIEC-MJUUVYJYSA-N 0 0 478.509 0.910 20 30 JCEDRN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4CN(c5cccc(C#N)c5)C(=O)O4)CC[C@@H]32)cn1 ZINC001184375803 1068918675 /nfs/dbraw/zinc/91/86/75/1068918675.db2.gz DORNTCWHTPYIEC-WJMWBRGCSA-N 0 0 478.509 0.910 20 30 JCEDRN Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001184376174 1068918937 /nfs/dbraw/zinc/91/89/37/1068918937.db2.gz GOJXYAJUYWSIHS-MTQWCTHYSA-N 0 0 464.482 0.805 20 30 JCEDRN Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001184376177 1068918728 /nfs/dbraw/zinc/91/87/28/1068918728.db2.gz GOJXYAJUYWSIHS-ZGXWSNOMSA-N 0 0 464.482 0.805 20 30 JCEDRN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184376179 1068918812 /nfs/dbraw/zinc/91/88/12/1068918812.db2.gz GPAVWXLXLRHJED-HKUYNNGSSA-N 0 0 462.470 0.933 20 30 JCEDRN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184376181 1068918887 /nfs/dbraw/zinc/91/88/87/1068918887.db2.gz GPAVWXLXLRHJED-IEBWSBKVSA-N 0 0 462.470 0.933 20 30 JCEDRN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184376183 1068918875 /nfs/dbraw/zinc/91/88/75/1068918875.db2.gz GPAVWXLXLRHJED-MJGOQNOKSA-N 0 0 462.470 0.933 20 30 JCEDRN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184376186 1068918656 /nfs/dbraw/zinc/91/86/56/1068918656.db2.gz GPAVWXLXLRHJED-PKOBYXMFSA-N 0 0 462.470 0.933 20 30 JCEDRN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)C2)C1=O ZINC001184376268 1068918898 /nfs/dbraw/zinc/91/88/98/1068918898.db2.gz HJWPWYJOYLPJFI-FDDCHVKYSA-N 0 0 453.499 0.813 20 30 JCEDRN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)C2)C1=O ZINC001184376271 1068919431 /nfs/dbraw/zinc/91/94/31/1068919431.db2.gz HJWPWYJOYLPJFI-JPYJTQIMSA-N 0 0 453.499 0.813 20 30 JCEDRN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)C2)C1=O ZINC001184376273 1068919455 /nfs/dbraw/zinc/91/94/55/1068919455.db2.gz HJWPWYJOYLPJFI-MBSDFSHPSA-N 0 0 453.499 0.813 20 30 JCEDRN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)C2)C1=O ZINC001184376275 1068919409 /nfs/dbraw/zinc/91/94/09/1068919409.db2.gz HJWPWYJOYLPJFI-WZONZLPQSA-N 0 0 453.499 0.813 20 30 JCEDRN N#Cc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4COC[C@@H](CC(=O)N5CCOCC5)[C@@H]4C3)OC2=O)c1 ZINC001184376721 1068919501 /nfs/dbraw/zinc/91/95/01/1068919501.db2.gz LPFQLPQYZPMPDP-QCFAMHMHSA-N 0 0 468.510 0.853 20 30 JCEDRN N#Cc1cccc(N2C[C@H](C(=O)N3C[C@@H]4COC[C@@H](CC(=O)N5CCOCC5)[C@@H]4C3)OC2=O)c1 ZINC001184376726 1068919308 /nfs/dbraw/zinc/91/93/08/1068919308.db2.gz LPFQLPQYZPMPDP-RMVXJAJNSA-N 0 0 468.510 0.853 20 30 JCEDRN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CN(c3cccc(C#N)c3)C(=O)O1)CC2 ZINC001184376819 1068919443 /nfs/dbraw/zinc/91/94/43/1068919443.db2.gz MGZIEVRMJPVHGN-IBGZPJMESA-N 0 0 488.508 0.828 20 30 JCEDRN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1CN(c3cccc(C#N)c3)C(=O)O1)CC2 ZINC001184376824 1068919368 /nfs/dbraw/zinc/91/93/68/1068919368.db2.gz MGZIEVRMJPVHGN-LJQANCHMSA-N 0 0 488.508 0.828 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1)C(=O)NCC(N)=O ZINC001184376983 1068919256 /nfs/dbraw/zinc/91/92/56/1068919256.db2.gz ARXPCBQWRLPKBM-FHWLQOOXSA-N 0 0 498.540 0.007 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1)C(=O)NCC(N)=O ZINC001184376984 1068919484 /nfs/dbraw/zinc/91/94/84/1068919484.db2.gz ARXPCBQWRLPKBM-GBESFXJTSA-N 0 0 498.540 0.007 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1CN(c3cccc(C#N)c3)C(=O)O1)CC2 ZINC001184377501 1068919352 /nfs/dbraw/zinc/91/93/52/1068919352.db2.gz PXKAGASVMXOXLZ-FQEVSTJZSA-N 0 0 463.494 0.761 20 30 JCEDRN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1CN(c3cccc(C#N)c3)C(=O)O1)CC2 ZINC001184377502 1068919420 /nfs/dbraw/zinc/91/94/20/1068919420.db2.gz PXKAGASVMXOXLZ-HXUWFJFHSA-N 0 0 463.494 0.761 20 30 JCEDRN Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)[C@@H]2CCCO[C@@H]21 ZINC001184377523 1068919396 /nfs/dbraw/zinc/91/93/96/1068919396.db2.gz QDPDZVUHEIQNBU-WJFTUGDTSA-N 0 0 464.482 0.805 20 30 JCEDRN Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)[C@@H]2CCCO[C@@H]21 ZINC001184377525 1068919290 /nfs/dbraw/zinc/91/92/90/1068919290.db2.gz QDPDZVUHEIQNBU-ZSYWTGECSA-N 0 0 464.482 0.805 20 30 JCEDRN N#Cc1cccc(N2C[C@H](C(=O)N3Cc4nccn4C[C@H](CNC(=O)c4ccnnc4)C3)OC2=O)c1 ZINC001184378067 1068919274 /nfs/dbraw/zinc/91/92/74/1068919274.db2.gz SIRRBDBWOVOKNQ-FXAWDEMLSA-N 0 0 486.492 0.959 20 30 JCEDRN N#Cc1cccc(N2C[C@@H](C(=O)N3Cc4nccn4C[C@H](CNC(=O)c4ccnnc4)C3)OC2=O)c1 ZINC001184378075 1068919336 /nfs/dbraw/zinc/91/93/36/1068919336.db2.gz SIRRBDBWOVOKNQ-PXNSSMCTSA-N 0 0 486.492 0.959 20 30 JCEDRN N#Cc1cccc(N2C[C@@H](C(=O)N3Cc4nccn4C[C@@H](CNC(=O)c4ccnnc4)C3)OC2=O)c1 ZINC001184378077 1068919508 /nfs/dbraw/zinc/91/95/08/1068919508.db2.gz SIRRBDBWOVOKNQ-XLIONFOSSA-N 0 0 486.492 0.959 20 30 JCEDRN N#Cc1cccc(N2C[C@H](C(=O)N3Cc4nccn4C[C@@H](CNC(=O)c4ccnnc4)C3)OC2=O)c1 ZINC001184378079 1068919383 /nfs/dbraw/zinc/91/93/83/1068919383.db2.gz SIRRBDBWOVOKNQ-YLJYHZDGSA-N 0 0 486.492 0.959 20 30 JCEDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CN(c3cccc(C#N)c3)C(=O)O1)CC2 ZINC001184378196 1068919466 /nfs/dbraw/zinc/91/94/66/1068919466.db2.gz SVRQVIAKMACLEN-FQEVSTJZSA-N 0 0 477.525 0.589 20 30 JCEDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1CN(c3cccc(C#N)c3)C(=O)O1)CC2 ZINC001184378197 1068919810 /nfs/dbraw/zinc/91/98/10/1068919810.db2.gz SVRQVIAKMACLEN-HXUWFJFHSA-N 0 0 477.525 0.589 20 30 JCEDRN N#Cc1cccc(N2C[C@H](C(=O)N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)OC2=O)c1 ZINC001184378464 1068920000 /nfs/dbraw/zinc/92/00/00/1068920000.db2.gz VKLRHHBADADCTM-FPGHNAPASA-N 0 0 468.510 0.997 20 30 JCEDRN N#Cc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)OC2=O)c1 ZINC001184378472 1068920027 /nfs/dbraw/zinc/92/00/27/1068920027.db2.gz VKLRHHBADADCTM-WWEVIYMKSA-N 0 0 468.510 0.997 20 30 JCEDRN N#Cc1cccc(N2C[C@H](C(=O)N3CCO[C@@]4(C3)COCCN(c3ncccn3)C4)OC2=O)c1 ZINC001184378517 1068919877 /nfs/dbraw/zinc/91/98/77/1068919877.db2.gz VRDJXPYIRLWNNM-AUSIDOKSSA-N 0 0 464.482 0.808 20 30 JCEDRN N#Cc1cccc(N2C[C@@H](C(=O)N3CCO[C@]4(C3)COCCN(c3ncccn3)C4)OC2=O)c1 ZINC001184378523 1068920057 /nfs/dbraw/zinc/92/00/57/1068920057.db2.gz VRDJXPYIRLWNNM-CVDCTZTESA-N 0 0 464.482 0.808 20 30 JCEDRN N#Cc1cccc(N2C[C@@H](C(=O)N3CCO[C@@]4(C3)COCCN(c3ncccn3)C4)OC2=O)c1 ZINC001184378532 1068920064 /nfs/dbraw/zinc/92/00/64/1068920064.db2.gz VRDJXPYIRLWNNM-WMZHIEFXSA-N 0 0 464.482 0.808 20 30 JCEDRN N#Cc1cccc(N2C[C@H](C(=O)N3CCO[C@]4(C3)COCCN(c3ncccn3)C4)OC2=O)c1 ZINC001184378538 1068919980 /nfs/dbraw/zinc/91/99/80/1068919980.db2.gz VRDJXPYIRLWNNM-XXBNENTESA-N 0 0 464.482 0.808 20 30 JCEDRN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)C2)C1 ZINC001184378761 1068919843 /nfs/dbraw/zinc/91/98/43/1068919843.db2.gz WAHUKZLSLYMKRG-AUSIDOKSSA-N 0 0 455.515 0.570 20 30 JCEDRN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)C2)C1 ZINC001184378763 1068920067 /nfs/dbraw/zinc/92/00/67/1068920067.db2.gz WAHUKZLSLYMKRG-CVDCTZTESA-N 0 0 455.515 0.570 20 30 JCEDRN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)C2)C1 ZINC001184378765 1068919909 /nfs/dbraw/zinc/91/99/09/1068919909.db2.gz WAHUKZLSLYMKRG-WMZHIEFXSA-N 0 0 455.515 0.570 20 30 JCEDRN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)C2)C1 ZINC001184378767 1068920035 /nfs/dbraw/zinc/92/00/35/1068920035.db2.gz WAHUKZLSLYMKRG-XXBNENTESA-N 0 0 455.515 0.570 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1)C(N)=O ZINC001184378797 1068920010 /nfs/dbraw/zinc/92/00/10/1068920010.db2.gz DVELSRXPXLJXAC-HKBOAZHASA-N 0 0 493.520 0.943 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1)C(N)=O ZINC001184378803 1068919969 /nfs/dbraw/zinc/91/99/69/1068919969.db2.gz DVELSRXPXLJXAC-NJYVYQBISA-N 0 0 493.520 0.943 20 30 JCEDRN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]1CN(c3cccc(C#N)c3)C(=O)O1)C2 ZINC001184378950 1068919758 /nfs/dbraw/zinc/91/97/58/1068919758.db2.gz WXPDKPVUTWREIQ-AUSIDOKSSA-N 0 0 456.499 0.996 20 30 JCEDRN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1CN(c3cccc(C#N)c3)C(=O)O1)C2 ZINC001184378958 1068919897 /nfs/dbraw/zinc/91/98/97/1068919897.db2.gz WXPDKPVUTWREIQ-CVDCTZTESA-N 0 0 456.499 0.996 20 30 JCEDRN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1CN(c3cccc(C#N)c3)C(=O)O1)C2 ZINC001184378960 1068919772 /nfs/dbraw/zinc/91/97/72/1068919772.db2.gz WXPDKPVUTWREIQ-WMZHIEFXSA-N 0 0 456.499 0.996 20 30 JCEDRN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]1CN(c3cccc(C#N)c3)C(=O)O1)C2 ZINC001184378962 1068919737 /nfs/dbraw/zinc/91/97/37/1068919737.db2.gz WXPDKPVUTWREIQ-XXBNENTESA-N 0 0 456.499 0.996 20 30 JCEDRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1 ZINC001184379543 1068919956 /nfs/dbraw/zinc/91/99/56/1068919956.db2.gz YTPHQGYIXUQMHJ-APWZRJJASA-N 0 0 452.471 0.501 20 30 JCEDRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1 ZINC001184379544 1068919789 /nfs/dbraw/zinc/91/97/89/1068919789.db2.gz YTPHQGYIXUQMHJ-LPHOPBHVSA-N 0 0 452.471 0.501 20 30 JCEDRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1 ZINC001184379545 1068919941 /nfs/dbraw/zinc/91/99/41/1068919941.db2.gz YTPHQGYIXUQMHJ-QFBILLFUSA-N 0 0 452.471 0.501 20 30 JCEDRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)C1 ZINC001184379546 1068920632 /nfs/dbraw/zinc/92/06/32/1068920632.db2.gz YTPHQGYIXUQMHJ-VQIMIIECSA-N 0 0 452.471 0.501 20 30 JCEDRN N#Cc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)c(S(N)(=O)=O)cc3S(N)(=O)=O)OC2=O)c1 ZINC001184381510 1068920477 /nfs/dbraw/zinc/92/04/77/1068920477.db2.gz NKTJHTARESHPKT-CYBMUJFWSA-N 0 0 499.914 0.470 20 30 JCEDRN N#Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(S(N)(=O)=O)cc3S(N)(=O)=O)OC2=O)c1 ZINC001184381518 1068920621 /nfs/dbraw/zinc/92/06/21/1068920621.db2.gz NKTJHTARESHPKT-ZDUSSCGKSA-N 0 0 499.914 0.470 20 30 JCEDRN CN(CC(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1)S(=O)(=O)c1ccccc1 ZINC001184406218 1068920368 /nfs/dbraw/zinc/92/03/68/1068920368.db2.gz BGJNTPLEVXJTPE-DEOSSOPVSA-N 0 0 498.561 0.840 20 30 JCEDRN CN(CC(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1)S(=O)(=O)c1ccccc1 ZINC001184406223 1068920333 /nfs/dbraw/zinc/92/03/33/1068920333.db2.gz BGJNTPLEVXJTPE-XMMPIXPASA-N 0 0 498.561 0.840 20 30 JCEDRN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)Nc1c(C#N)cnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001184417474 1068927633 /nfs/dbraw/zinc/92/76/33/1068927633.db2.gz OTQSTBPIBLVLBM-CTNGQTDRSA-N 0 0 495.517 0.834 20 30 JCEDRN COc1nc(C(=NC(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c2ccccc2)NO)ccc1-n1cnc(C)c1 ZINC001184423245 1068931539 /nfs/dbraw/zinc/93/15/39/1068931539.db2.gz WVVVGVCMRSZXDI-QUCCMNQESA-N 0 0 480.481 0.585 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)OCC ZINC001184518303 1068935257 /nfs/dbraw/zinc/93/52/57/1068935257.db2.gz KGWIZNPGAZCFGH-NCOADZHNSA-N 0 0 487.619 0.735 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)C(=O)OCC ZINC001184518305 1068935242 /nfs/dbraw/zinc/93/52/42/1068935242.db2.gz KGWIZNPGAZCFGH-QAETUUGQSA-N 0 0 487.619 0.735 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)C(=O)OCC ZINC001184518306 1068935190 /nfs/dbraw/zinc/93/51/90/1068935190.db2.gz KGWIZNPGAZCFGH-QZWWFDLISA-N 0 0 487.619 0.735 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)C(=O)OCC ZINC001184518307 1068935138 /nfs/dbraw/zinc/93/51/38/1068935138.db2.gz KGWIZNPGAZCFGH-YVSFHVDLSA-N 0 0 487.619 0.735 20 30 JCEDRN CCCC[C@H](NC=O)C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001184595920 1068938193 /nfs/dbraw/zinc/93/81/93/1068938193.db2.gz PCMWFSFNTAPTSF-RTWAWAEBSA-N 0 0 498.559 0.996 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c2ccc(C#N)cc2)CC1 ZINC001184610772 1068938660 /nfs/dbraw/zinc/93/86/60/1068938660.db2.gz DSHWUSWFOMFYKW-ONUIULTDSA-N 0 0 474.558 0.371 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)NC[C@@H]2CNC(=O)CO2)c2ccc(C#N)cc2)CC1 ZINC001184610824 1068938732 /nfs/dbraw/zinc/93/87/32/1068938732.db2.gz FKCOIZOAEFLNMK-AZUAARDMSA-N 0 0 457.531 0.783 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)NC[C@@H]2CNC(=O)CO2)c2ccc(C#N)cc2)CC1 ZINC001184610827 1068938722 /nfs/dbraw/zinc/93/87/22/1068938722.db2.gz FKCOIZOAEFLNMK-ICSRJNTNSA-N 0 0 457.531 0.783 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)NC[C@H]2CNC(=O)CO2)c2ccc(C#N)cc2)CC1 ZINC001184610828 1068938648 /nfs/dbraw/zinc/93/86/48/1068938648.db2.gz FKCOIZOAEFLNMK-QUCCMNQESA-N 0 0 457.531 0.783 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)NC[C@H]2CNC(=O)CO2)c2ccc(C#N)cc2)CC1 ZINC001184610829 1068938736 /nfs/dbraw/zinc/93/87/36/1068938736.db2.gz FKCOIZOAEFLNMK-UYAOXDASSA-N 0 0 457.531 0.783 20 30 JCEDRN COC(=O)CNC(=O)CNC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001184610984 1068938694 /nfs/dbraw/zinc/93/86/94/1068938694.db2.gz GOFPTHRPVYQQQZ-FQEVSTJZSA-N 0 0 473.530 0.557 20 30 JCEDRN COC(=O)CNC(=O)CNC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001184610985 1068938762 /nfs/dbraw/zinc/93/87/62/1068938762.db2.gz GOFPTHRPVYQQQZ-HXUWFJFHSA-N 0 0 473.530 0.557 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)N2CC(N3CCNC(=O)C3)C2)c2ccc(C#N)cc2)CC1 ZINC001184611831 1068938566 /nfs/dbraw/zinc/93/85/66/1068938566.db2.gz OUDWUQRKFWVIRZ-JOCHJYFZSA-N 0 0 482.585 0.795 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N2CC(N3CCNC(=O)C3)C2)c2ccc(C#N)cc2)CC1 ZINC001184611832 1068938668 /nfs/dbraw/zinc/93/86/68/1068938668.db2.gz OUDWUQRKFWVIRZ-QFIPXVFZSA-N 0 0 482.585 0.795 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N2CCO[C@@H](C(N)=O)C2)c2ccc(C#N)cc2)CC1 ZINC001184612365 1068938522 /nfs/dbraw/zinc/93/85/22/1068938522.db2.gz TWLLWUXXAOKPCL-MOPGFXCFSA-N 0 0 457.531 0.865 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N2CCO[C@H](C(N)=O)C2)c2ccc(C#N)cc2)CC1 ZINC001184612366 1068938704 /nfs/dbraw/zinc/93/87/04/1068938704.db2.gz TWLLWUXXAOKPCL-OALUTQOASA-N 0 0 457.531 0.865 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)N2CCO[C@H](C(N)=O)C2)c2ccc(C#N)cc2)CC1 ZINC001184612367 1068938550 /nfs/dbraw/zinc/93/85/50/1068938550.db2.gz TWLLWUXXAOKPCL-RBUKOAKNSA-N 0 0 457.531 0.865 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)N2CCO[C@@H](C(N)=O)C2)c2ccc(C#N)cc2)CC1 ZINC001184612368 1068938714 /nfs/dbraw/zinc/93/87/14/1068938714.db2.gz TWLLWUXXAOKPCL-RTBURBONSA-N 0 0 457.531 0.865 20 30 JCEDRN CNS(=O)(=O)CCNC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001184613194 1068938681 /nfs/dbraw/zinc/93/86/81/1068938681.db2.gz XPUAHQWULFOGON-GOSISDBHSA-N 0 0 465.576 0.817 20 30 JCEDRN CNS(=O)(=O)CCNC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001184613199 1068938605 /nfs/dbraw/zinc/93/86/05/1068938605.db2.gz XPUAHQWULFOGON-SFHVURJKSA-N 0 0 465.576 0.817 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1nc(C)ccc1C)C(=O)OCC ZINC001184621524 1068939237 /nfs/dbraw/zinc/93/92/37/1068939237.db2.gz WESGRWDUJVFDQF-HOTGVXAUSA-N 0 0 496.586 0.234 20 30 JCEDRN N#Cc1ccc(NC(=O)Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001184717158 1068942605 /nfs/dbraw/zinc/94/26/05/1068942605.db2.gz KBZDRLZMBFSPPG-XNIJJKJLSA-N 0 0 490.274 0.716 20 30 JCEDRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=O)Nc2ccc(C#N)cc2)[C@H](O)[C@@H]1O ZINC001184721387 1068942694 /nfs/dbraw/zinc/94/26/94/1068942694.db2.gz QYVGZHTXBOMKSP-QCUYGVNKSA-N 0 0 452.431 0.097 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001184772467 1068944425 /nfs/dbraw/zinc/94/44/25/1068944425.db2.gz ZIDQXQXJOQHKJX-PFAUGDHASA-N 0 0 491.453 0.763 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC001184782345 1068945046 /nfs/dbraw/zinc/94/50/46/1068945046.db2.gz UVQSYQFJIRTGLW-IRXDYDNUSA-N 0 0 462.576 0.934 20 30 JCEDRN C=C1CC(C)(C(=O)N(CCc2ccc(N)cc2)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001184791461 1068945356 /nfs/dbraw/zinc/94/53/56/1068945356.db2.gz HGJNOCKCTYGQQJ-ZDXOVATRSA-N 0 0 494.552 0.952 20 30 JCEDRN C=C1CC(C)(C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC)C1 ZINC001184795177 1068945221 /nfs/dbraw/zinc/94/52/21/1068945221.db2.gz SHUQQTJSWOVESS-GJZGRUSLSA-N 0 0 471.576 0.265 20 30 JCEDRN N#Cc1c(Cl)cc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)nc1Cl ZINC001184799194 1068945934 /nfs/dbraw/zinc/94/59/34/1068945934.db2.gz XRXWUMGZUUPVEC-AXAPSJFSSA-N 0 0 487.365 0.994 20 30 JCEDRN N#Cc1c(Cl)cc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)nc1Cl ZINC001184799195 1068946039 /nfs/dbraw/zinc/94/60/39/1068946039.db2.gz XRXWUMGZUUPVEC-NORZTCDRSA-N 0 0 487.365 0.994 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c(C#N)c(Cl)n1)C(=O)NCC(N)=O ZINC001184801206 1068945873 /nfs/dbraw/zinc/94/58/73/1068945873.db2.gz RKTLTZBAOLXZAX-ZFWWWQNUSA-N 0 0 483.356 0.997 20 30 JCEDRN N#Cc1c(Cl)cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)nc1Cl ZINC001184818992 1068946388 /nfs/dbraw/zinc/94/63/88/1068946388.db2.gz LOVCLTWSQDGBIH-KBPBESRZSA-N 0 0 450.286 0.801 20 30 JCEDRN CC(C)(C)OC(=O)N(CCC#N)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001184853080 1068945981 /nfs/dbraw/zinc/94/59/81/1068945981.db2.gz BLDUIIPKYZTZTF-KZNAEPCWSA-N 0 0 498.602 0.258 20 30 JCEDRN CC(C)(C)OC(=O)N(CCC#N)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001184853086 1068945819 /nfs/dbraw/zinc/94/58/19/1068945819.db2.gz BLDUIIPKYZTZTF-RCCFBDPRSA-N 0 0 498.602 0.258 20 30 JCEDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)CC2 ZINC001184854689 1068945953 /nfs/dbraw/zinc/94/59/53/1068945953.db2.gz VIOVZEOSPNSUII-UHFFFAOYSA-N 0 0 473.578 0.843 20 30 JCEDRN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C2)C1 ZINC001184854941 1068947148 /nfs/dbraw/zinc/94/71/48/1068947148.db2.gz YIGDMQVNGUVALM-JOCHJYFZSA-N 0 0 451.568 0.824 20 30 JCEDRN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C2)C1 ZINC001184854942 1068947399 /nfs/dbraw/zinc/94/73/99/1068947399.db2.gz YIGDMQVNGUVALM-QFIPXVFZSA-N 0 0 451.568 0.824 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN(CCC#N)C(=O)OC(C)(C)C)C(=O)NCC(N)=O ZINC001184856654 1068948406 /nfs/dbraw/zinc/94/84/06/1068948406.db2.gz WFPSZBOPPYVFNI-IRXDYDNUSA-N 0 0 494.593 0.261 20 30 JCEDRN CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001184857441 1068948571 /nfs/dbraw/zinc/94/85/71/1068948571.db2.gz NFGOBRQEQVXUCT-HTDHLNIYSA-N 0 0 497.570 0.668 20 30 JCEDRN CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001184857442 1068948344 /nfs/dbraw/zinc/94/83/44/1068948344.db2.gz NFGOBRQEQVXUCT-JUSBFGHESA-N 0 0 497.570 0.668 20 30 JCEDRN CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001184857443 1068948552 /nfs/dbraw/zinc/94/85/52/1068948552.db2.gz NFGOBRQEQVXUCT-XZEJUNMKSA-N 0 0 497.570 0.668 20 30 JCEDRN CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001184857444 1068948451 /nfs/dbraw/zinc/94/84/51/1068948451.db2.gz NFGOBRQEQVXUCT-ZKIDJSGLSA-N 0 0 497.570 0.668 20 30 JCEDRN CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001184857527 1068948609 /nfs/dbraw/zinc/94/86/09/1068948609.db2.gz ROYTWQTWJYGRMP-UHFFFAOYSA-N 0 0 495.967 0.724 20 30 JCEDRN Cc1cn([C@H]2C[C@H](NC(=O)CN(CCC#N)C(=O)OC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001184860701 1068948498 /nfs/dbraw/zinc/94/84/98/1068948498.db2.gz JCBDRFIPBKSDKL-SQWLQELKSA-N 0 0 451.480 0.173 20 30 JCEDRN CC(C)(C)OC(=O)N(CCC#N)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001184862721 1068948460 /nfs/dbraw/zinc/94/84/60/1068948460.db2.gz VTHPUYLGMCICRL-HOTGVXAUSA-N 0 0 461.523 0.064 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c1 ZINC001184910587 1068951464 /nfs/dbraw/zinc/95/14/64/1068951464.db2.gz XIIWFAIRGVHIDR-GFCCVEGCSA-N 0 0 450.564 0.177 20 30 JCEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c1 ZINC001184910591 1068951348 /nfs/dbraw/zinc/95/13/48/1068951348.db2.gz XIIWFAIRGVHIDR-LBPRGKRZSA-N 0 0 450.564 0.177 20 30 JCEDRN N#C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)C(N)=O ZINC001184969912 1068953358 /nfs/dbraw/zinc/95/33/58/1068953358.db2.gz WXHXOTFLHIZKAD-INIZCTEOSA-N 0 0 458.887 0.947 20 30 JCEDRN N#C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)C(N)=O ZINC001184969914 1068953517 /nfs/dbraw/zinc/95/35/17/1068953517.db2.gz WXHXOTFLHIZKAD-MRXNPFEDSA-N 0 0 458.887 0.947 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(S(=O)(=O)c4cnc(Cl)nc4)C3)OCC2=O)cc1 ZINC001185021066 1068956464 /nfs/dbraw/zinc/95/64/64/1068956464.db2.gz PXIHLFPOVBBWSS-IBGZPJMESA-N 0 0 463.903 0.825 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(S(=O)(=O)c4cnc(Cl)nc4)C3)OCC2=O)cc1 ZINC001185021067 1068956345 /nfs/dbraw/zinc/95/63/45/1068956345.db2.gz PXIHLFPOVBBWSS-LJQANCHMSA-N 0 0 463.903 0.825 20 30 JCEDRN N#CCCCCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001185078095 1068959226 /nfs/dbraw/zinc/95/92/26/1068959226.db2.gz MHXYGIKKICFTSM-UHFFFAOYSA-N 0 0 457.578 0.248 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)CC1(C)CCC1)C(=O)OCC ZINC001185109862 1068960555 /nfs/dbraw/zinc/96/05/55/1068960555.db2.gz XRRFPZXAUXAELB-GJZGRUSLSA-N 0 0 473.592 0.489 20 30 JCEDRN CC(C)O[C@@]1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 ZINC001185154270 1068962304 /nfs/dbraw/zinc/96/23/04/1068962304.db2.gz GRCGISKXKNWKBC-IBGZPJMESA-N 0 0 457.574 0.778 20 30 JCEDRN CC(C)O[C@]1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 ZINC001185154272 1068962968 /nfs/dbraw/zinc/96/29/68/1068962968.db2.gz GRCGISKXKNWKBC-LJQANCHMSA-N 0 0 457.574 0.778 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2)cc1 ZINC001185155551 1068962977 /nfs/dbraw/zinc/96/29/77/1068962977.db2.gz WHCZLWJTIAGRID-INIZCTEOSA-N 0 0 451.530 0.411 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2)cc1 ZINC001185155552 1068962900 /nfs/dbraw/zinc/96/29/00/1068962900.db2.gz WHCZLWJTIAGRID-MRXNPFEDSA-N 0 0 451.530 0.411 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1CCC(C)(C)C1)C(=O)OCC ZINC001185179566 1068961742 /nfs/dbraw/zinc/96/17/42/1068961742.db2.gz NGXYLYPIMLXLMJ-JYJNAYRXSA-N 0 0 487.619 0.735 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)C(=O)OCC ZINC001185179567 1068961680 /nfs/dbraw/zinc/96/16/80/1068961680.db2.gz NGXYLYPIMLXLMJ-PMPSAXMXSA-N 0 0 487.619 0.735 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1cnc(C2CC2)o1)C(=O)OCC ZINC001185241837 1068966480 /nfs/dbraw/zinc/96/64/80/1068966480.db2.gz DKWBVHVNHPRIPT-KBPBESRZSA-N 0 0 498.558 0.088 20 30 JCEDRN C=CCCc1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c(=O)[nH]1 ZINC001185353099 1068974754 /nfs/dbraw/zinc/97/47/54/1068974754.db2.gz YFIDVRXSGQPWJR-BHIYHBOVSA-N 0 0 463.556 0.640 20 30 JCEDRN C=CCCc1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c(=O)[nH]1 ZINC001185353100 1068974526 /nfs/dbraw/zinc/97/45/26/1068974526.db2.gz YFIDVRXSGQPWJR-QXAKKESOSA-N 0 0 463.556 0.640 20 30 JCEDRN C=CCCc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)c(=O)[nH]1 ZINC001185359358 1068975300 /nfs/dbraw/zinc/97/53/00/1068975300.db2.gz UBTGFFIOKDTPDO-ROUUACIJSA-N 0 0 459.547 0.643 20 30 JCEDRN C=CCCc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)c(=O)[nH]1 ZINC001185372437 1068978344 /nfs/dbraw/zinc/97/83/44/1068978344.db2.gz WBKYBRUVFFAQAD-ROUUACIJSA-N 0 0 493.630 0.890 20 30 JCEDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC001185396386 1068977562 /nfs/dbraw/zinc/97/75/62/1068977562.db2.gz JFYRNQVHSJIIPH-GFCCVEGCSA-N 0 0 450.336 0.245 20 30 JCEDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC001185396388 1068977629 /nfs/dbraw/zinc/97/76/29/1068977629.db2.gz JFYRNQVHSJIIPH-LBPRGKRZSA-N 0 0 450.336 0.245 20 30 JCEDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001185397184 1068977709 /nfs/dbraw/zinc/97/77/09/1068977709.db2.gz PVUDDJFWNHAFBJ-LLVKDONJSA-N 0 0 450.336 0.245 20 30 JCEDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001185397185 1068977597 /nfs/dbraw/zinc/97/75/97/1068977597.db2.gz PVUDDJFWNHAFBJ-NSHDSACASA-N 0 0 450.336 0.245 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001185409749 1068979466 /nfs/dbraw/zinc/97/94/66/1068979466.db2.gz IQFOLMFNZHAXNO-KRWDZBQOSA-N 0 0 494.556 0.875 20 30 JCEDRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001185411031 1068980023 /nfs/dbraw/zinc/98/00/23/1068980023.db2.gz XHXNEHKSBMFJTN-AWEZNQCLSA-N 0 0 464.486 0.993 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1F ZINC001185422543 1068978669 /nfs/dbraw/zinc/97/86/69/1068978669.db2.gz MWCNHCQCQLXZAE-UHFFFAOYSA-N 0 0 453.521 0.523 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@H]3C[C@](C)(O)C3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001185477499 1068982146 /nfs/dbraw/zinc/98/21/46/1068982146.db2.gz JQSJFEJSINHDDZ-ROMRWMGNSA-N 0 0 469.517 0.852 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(S(=O)(=O)c4ccc(-c5nn[nH]n5)cc4)C3)OCC2=O)cc1 ZINC001185574639 1068993513 /nfs/dbraw/zinc/99/35/13/1068993513.db2.gz DIIQRDFASSWKMT-JOCHJYFZSA-N 0 0 495.521 0.561 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(S(=O)(=O)c4ccc(-c5nn[nH]n5)cc4)C3)OCC2=O)cc1 ZINC001185574667 1068993749 /nfs/dbraw/zinc/99/37/49/1068993749.db2.gz DIIQRDFASSWKMT-QFIPXVFZSA-N 0 0 495.521 0.561 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)CC[C@@H](C)CC)C(=O)OCC ZINC001185581540 1069015226 /nfs/dbraw/zinc/01/52/26/1069015226.db2.gz HWBRICLTZUCMQH-JYJNAYRXSA-N 0 0 475.608 0.735 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)CC[C@H](C)CC)C(=O)OCC ZINC001185581542 1069015478 /nfs/dbraw/zinc/01/54/78/1069015478.db2.gz HWBRICLTZUCMQH-PMPSAXMXSA-N 0 0 475.608 0.735 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC(C)(C)C3CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185589568 1069000608 /nfs/dbraw/zinc/00/06/08/1069000608.db2.gz ABKYIJSSILRDHG-SBGRAJFYSA-N 0 0 464.573 0.664 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cccc(C#N)n3)=CCS[C@H]12)c1csc(N)n1 ZINC001185589618 1069000579 /nfs/dbraw/zinc/00/05/79/1069000579.db2.gz AIVOTVWHAFWTEW-DWVKKRMSSA-N 0 0 484.523 0.265 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cc(C#N)ccn3)=CCS[C@H]12)c1csc(N)n1 ZINC001185589632 1069000515 /nfs/dbraw/zinc/00/05/15/1069000515.db2.gz AJVGGKLFQXHGNM-DWVKKRMSSA-N 0 0 484.523 0.265 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3n[nH]cc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185589634 1069000689 /nfs/dbraw/zinc/00/06/89/1069000689.db2.gz ALSJQPMQBOOJJW-RIOJOGQASA-N 0 0 462.517 0.030 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)c3ccccc3N)=CCS[C@H]12)c1csc(N)n1 ZINC001185589642 1069000678 /nfs/dbraw/zinc/00/06/78/1069000678.db2.gz APWYOMMZWSUXTI-SAKAIADUSA-N 0 0 487.567 0.605 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC3(C#N)CCC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185589728 1069000704 /nfs/dbraw/zinc/00/07/04/1069000704.db2.gz CCVCXUBKIUJKSU-BGZQYGJUSA-N 0 0 475.556 0.170 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccc(C#N)cc3O)=CCS[C@H]12)c1csc(N)n1 ZINC001185589756 1069000592 /nfs/dbraw/zinc/00/05/92/1069000592.db2.gz CMQVOCGFSDAEOC-ARLAXHMGSA-N 0 0 499.534 0.576 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3nc(C)ccc3O)=CCS[C@H]12)c1csc(N)n1 ZINC001185589761 1069000537 /nfs/dbraw/zinc/00/05/37/1069000537.db2.gz CTFGJXUEMTXKCO-FKUTWSMPSA-N 0 0 489.539 0.407 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cccn4nccc34)=CCS[C@H]12)c1csc(N)n1 ZINC001185589767 1069000616 /nfs/dbraw/zinc/00/06/16/1069000616.db2.gz CWHAFESFOBOICD-ARLAXHMGSA-N 0 0 498.550 0.646 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCc4[nH]ccc4C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185589773 1069000573 /nfs/dbraw/zinc/00/05/73/1069000573.db2.gz DCPQDRJLQRBNAB-SAKAIADUSA-N 0 0 487.567 0.273 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H](F)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185589775 1069000637 /nfs/dbraw/zinc/00/06/37/1069000637.db2.gz DHSIYDUVRVLQOA-XYIMVWMTSA-N 0 0 480.547 0.176 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCc3ncccc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185589781 1069000526 /nfs/dbraw/zinc/00/05/26/1069000526.db2.gz DNPWXHLNQYWMJB-ARLAXHMGSA-N 0 0 487.567 0.379 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cc(=O)[nH]cc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185589788 1069000493 /nfs/dbraw/zinc/00/04/93/1069000493.db2.gz DVQHPRUVGDCNFD-UENOFOJGSA-N 0 0 489.539 0.407 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cnc(F)cc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185589933 1069000502 /nfs/dbraw/zinc/00/05/02/1069000502.db2.gz FEXOBCXHXQRFQQ-DWVKKRMSSA-N 0 0 491.530 0.841 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3C[C@@H](C)CC34CC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185589936 1069000630 /nfs/dbraw/zinc/00/06/30/1069000630.db2.gz FMLYPOUPCYPCKH-IQHPYMONSA-N 0 0 476.584 0.761 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3C[C@H](C)CC34CC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185589938 1069000483 /nfs/dbraw/zinc/00/04/83/1069000483.db2.gz FMLYPOUPCYPCKH-XDCUJIKTSA-N 0 0 476.584 0.761 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccnc4c3CCC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185589980 1069000651 /nfs/dbraw/zinc/00/06/51/1069000651.db2.gz FYOKFWJEZHPLJL-VLMZJYNESA-N 0 0 499.578 0.304 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3nc(C)cnc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590034 1069000561 /nfs/dbraw/zinc/00/05/61/1069000561.db2.gz GQJHZFUUEDOPJI-VKKUPRKASA-N 0 0 488.555 0.405 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cnc(C)c(C)n3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590040 1069000464 /nfs/dbraw/zinc/00/04/64/1069000464.db2.gz GWLLFPUQSZFTIH-DWVKKRMSSA-N 0 0 488.555 0.405 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3occ(C)c3C#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185590042 1069000726 /nfs/dbraw/zinc/00/07/26/1069000726.db2.gz HDOSJUZXZDZJFR-FKUTWSMPSA-N 0 0 487.523 0.771 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCC(C)(OC)CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590044 1069001206 /nfs/dbraw/zinc/00/12/06/1069001206.db2.gz HIEAEPMBBJVKJD-GIXWELNESA-N 0 0 494.599 0.387 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CC[C@@H](OC)C[C@H]3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590046 1069001114 /nfs/dbraw/zinc/00/11/14/1069001114.db2.gz HLKKUTIFUMDIQM-PYDGZSQSSA-N 0 0 494.599 0.386 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3c(C)ncnc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590048 1069001194 /nfs/dbraw/zinc/00/11/94/1069001194.db2.gz HODSSNNSGOCASL-DWVKKRMSSA-N 0 0 488.555 0.405 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3C[C@@H]4C[C@H]3C[C@H]4F)=CCS[C@H]12)c1csc(N)n1 ZINC001185590049 1069001254 /nfs/dbraw/zinc/00/12/54/1069001254.db2.gz HOENHIPEVVHYCC-QHSJBTRASA-N 0 0 480.547 0.319 20 30 JCEDRN CCCCN(CC#N)C(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185590053 1069001233 /nfs/dbraw/zinc/00/12/33/1069001233.db2.gz HYWHCLWMWFFVRO-GIXWELNESA-N 0 0 477.572 0.512 20 30 JCEDRN CCc1nccnc1NC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185590057 1069001060 /nfs/dbraw/zinc/00/10/60/1069001060.db2.gz IBGXPLILTOWYKU-VKKUPRKASA-N 0 0 488.555 0.351 20 30 JCEDRN CCC(CC)CNC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185590064 1069001164 /nfs/dbraw/zinc/00/11/64/1069001164.db2.gz ILSXTTVMZGYQEE-GIXWELNESA-N 0 0 466.589 0.912 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ncn(C)c3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590069 1069001094 /nfs/dbraw/zinc/00/10/94/1069001094.db2.gz IPGKOBPCTYETFC-WHJQOFBOSA-N 0 0 476.544 0.040 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCC[C@@H](C#N)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590071 1069001155 /nfs/dbraw/zinc/00/11/55/1069001155.db2.gz IRHHOTVNQNXSQO-IQHPYMONSA-N 0 0 475.556 0.122 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCC[C@H](C#N)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590072 1069001103 /nfs/dbraw/zinc/00/11/03/1069001103.db2.gz IRHHOTVNQNXSQO-XDCUJIKTSA-N 0 0 475.556 0.122 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3c(C)ncn3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590077 1069001069 /nfs/dbraw/zinc/00/10/69/1069001069.db2.gz IWCRXDSYAGCLND-WHJQOFBOSA-N 0 0 476.544 0.040 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccccc3CO)=CCS[C@H]12)c1csc(N)n1 ZINC001185590082 1069001132 /nfs/dbraw/zinc/00/11/32/1069001132.db2.gz JJIPIKUPOXRECV-SAKAIADUSA-N 0 0 488.551 0.491 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C)C(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590089 1069001186 /nfs/dbraw/zinc/00/11/86/1069001186.db2.gz JPIJFLVSROXXKK-ISZSDOQDSA-N 0 0 452.562 0.520 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H](C)C(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590298 1069001223 /nfs/dbraw/zinc/00/12/23/1069001223.db2.gz JPIJFLVSROXXKK-VAXXVNEQSA-N 0 0 452.562 0.520 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)Cc3cncs3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590324 1069001144 /nfs/dbraw/zinc/00/11/44/1069001144.db2.gz JSXAEJDYUNJBKI-ZKDACBOMSA-N 0 0 493.596 0.475 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccccc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590335 1069001036 /nfs/dbraw/zinc/00/10/36/1069001036.db2.gz JVSXLJGRHAISBZ-GIXWELNESA-N 0 0 458.525 0.998 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3CCCC[C@H]3F)=CCS[C@H]12)c1csc(N)n1 ZINC001185590352 1069001123 /nfs/dbraw/zinc/00/11/23/1069001123.db2.gz JZRKTDZGMKXEJY-OEGYXOGNSA-N 0 0 482.563 0.757 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)(F)F)=CCS[C@H]12)c1csc(N)n1 ZINC001185590377 1069001175 /nfs/dbraw/zinc/00/11/75/1069001175.db2.gz KDZGYTQFPCKDQE-UPRLUYEASA-N 0 0 460.488 0.131 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccc(O)c(C#N)c3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590427 1069001646 /nfs/dbraw/zinc/00/16/46/1069001646.db2.gz KOVLBQJHEOMFLB-ARLAXHMGSA-N 0 0 499.534 0.576 20 30 JCEDRN COCCN(C(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12)C(C)C ZINC001185590438 1069001710 /nfs/dbraw/zinc/00/17/10/1069001710.db2.gz KQQINRGMBUGBKR-MUXSOKPTSA-N 0 0 482.588 0.243 20 30 JCEDRN CCN(C(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12)C1CCOCC1 ZINC001185590443 1069001753 /nfs/dbraw/zinc/00/17/53/1069001753.db2.gz KRUJNNIHYSVIFE-BXURMXEBSA-N 0 0 494.599 0.387 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3[nH]ccc3C#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185590465 1069001742 /nfs/dbraw/zinc/00/17/42/1069001742.db2.gz KWUUDZIBKQPEBS-ZTJYIHJESA-N 0 0 472.512 0.198 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cc(C#N)cnc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590469 1069001575 /nfs/dbraw/zinc/00/15/75/1069001575.db2.gz KXWABBSCBBCMBF-CDOVDWRASA-N 0 0 498.550 0.573 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCC4(CCC4)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590491 1069001635 /nfs/dbraw/zinc/00/16/35/1069001635.db2.gz LNKGYTIIAPOOKI-GIXWELNESA-N 0 0 476.584 0.762 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CC4(C3)CC(F)(F)C4)=CCS[C@H]12)c1csc(N)n1 ZINC001185590708 1069001588 /nfs/dbraw/zinc/00/15/88/1069001588.db2.gz MTTFLXKXCYXHAM-OOBLCDADSA-N 0 0 498.537 0.617 20 30 JCEDRN C#CC1CCN(C(=O)C2=CCS[C@@H]3[C@H](NC(=O)/C(=N\OC)c4csc(N)n4)C(=O)N23)CC1 ZINC001185590731 1069001548 /nfs/dbraw/zinc/00/15/48/1069001548.db2.gz MUKDAHMMANOIIX-BXURMXEBSA-N 0 0 474.568 0.231 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccc4n[nH]cc4c3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590732 1069001534 /nfs/dbraw/zinc/00/15/34/1069001534.db2.gz MVDAESBPPYCVQB-CDOVDWRASA-N 0 0 498.550 0.875 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)C3CC(F)(F)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590738 1069001765 /nfs/dbraw/zinc/00/17/65/1069001765.db2.gz MWLUXSNSCYMLBJ-XUKDPADISA-N 0 0 486.526 0.616 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3C[C@H]4[C@H](CC4(F)F)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590799 1069001520 /nfs/dbraw/zinc/00/15/20/1069001520.db2.gz NJTWGAOZSAZHJI-GIXYBSLPSA-N 0 0 498.537 0.473 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccc(F)c(O)c3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590865 1069001688 /nfs/dbraw/zinc/00/16/88/1069001688.db2.gz OFTHPYPGNAZRDY-UENOFOJGSA-N 0 0 492.514 0.843 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(CCC#N)CCC#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185590868 1069001481 /nfs/dbraw/zinc/00/14/81/1069001481.db2.gz OFUJWQFRVGEBBL-UENOFOJGSA-N 0 0 488.555 0.016 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCc4cnccc4C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590943 1069001676 /nfs/dbraw/zinc/00/16/76/1069001676.db2.gz PKNKGDYDKSDXIA-WHRDSVKCSA-N 0 0 499.578 0.340 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCOC[C@H]3C(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590945 1069001562 /nfs/dbraw/zinc/00/15/62/1069001562.db2.gz PLPJPDKQRRGCQO-AXVMZTPNSA-N 0 0 494.599 0.243 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCOC[C@@H]3C(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590947 1069001602 /nfs/dbraw/zinc/00/16/02/1069001602.db2.gz PLPJPDKQRRGCQO-HTQIBZFKSA-N 0 0 494.599 0.243 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ncc(O)cc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590949 1069001624 /nfs/dbraw/zinc/00/16/24/1069001624.db2.gz POCGONRBMJROLL-FKUTWSMPSA-N 0 0 489.539 0.407 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCn4cccc4C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590974 1069002211 /nfs/dbraw/zinc/00/22/11/1069002211.db2.gz QAANCVTXPSPTIR-BXURMXEBSA-N 0 0 487.567 0.204 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C#N)CC(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590992 1069001983 /nfs/dbraw/zinc/00/19/83/1069001983.db2.gz AWAZOOVYOMNFPD-OLEGMKQCSA-N 0 0 477.572 0.414 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3C[C@@H](C)C[C@H]3CF)=CCS[C@H]12)c1csc(N)n1 ZINC001185590993 1069002130 /nfs/dbraw/zinc/00/21/30/1069002130.db2.gz QGFNTRSCUSECCJ-AUNLXOIESA-N 0 0 482.563 0.566 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H](C#N)CC(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185590995 1069002195 /nfs/dbraw/zinc/00/21/95/1069002195.db2.gz AWAZOOVYOMNFPD-SRBHZJDHSA-N 0 0 477.572 0.414 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3CC[C@H](C#N)CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591003 1069002178 /nfs/dbraw/zinc/00/21/78/1069002178.db2.gz BFPBXKDVSBDPHM-TXGVKDNRSA-N 0 0 489.583 0.558 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3c(C)cccc3N)=CCS[C@H]12)c1csc(N)n1 ZINC001185591005 1069002263 /nfs/dbraw/zinc/00/22/63/1069002263.db2.gz QOZWBCKVUVCKDJ-ARLAXHMGSA-N 0 0 487.567 0.889 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CC(C(F)F)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591016 1069002162 /nfs/dbraw/zinc/00/21/62/1069002162.db2.gz QSACZYLIGFMPSO-XBIZQAMOSA-N 0 0 472.499 0.083 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCc3ccc[nH]3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591048 1069002056 /nfs/dbraw/zinc/00/20/56/1069002056.db2.gz DCLZMUGPTZXRIV-SBGRAJFYSA-N 0 0 461.529 0.004 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C)[C@@H]3CCCO3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591052 1069002113 /nfs/dbraw/zinc/00/21/13/1069002113.db2.gz DLOVTTLYCUZHNR-VDAHUFTDSA-N 0 0 480.572 0.043 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3CCO[C@H](C)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591055 1069002076 /nfs/dbraw/zinc/00/20/76/1069002076.db2.gz DMYSAHXPBZEZDP-AHRRGUBISA-N 0 0 480.572 0.043 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3CCO[C@@H](C)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591056 1069002145 /nfs/dbraw/zinc/00/21/45/1069002145.db2.gz DMYSAHXPBZEZDP-AUNLXOIESA-N 0 0 480.572 0.043 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3CCO[C@@H](C)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591057 1069002230 /nfs/dbraw/zinc/00/22/30/1069002230.db2.gz DMYSAHXPBZEZDP-GVIPDCAESA-N 0 0 480.572 0.043 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3CCO[C@H](C)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591058 1069001998 /nfs/dbraw/zinc/00/19/98/1069001998.db2.gz DMYSAHXPBZEZDP-IKJXTRMSSA-N 0 0 480.572 0.043 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCc3ccccc3O)=CCS[C@H]12)c1csc(N)n1 ZINC001185591059 1069002095 /nfs/dbraw/zinc/00/20/95/1069002095.db2.gz DNCGQCNRLWYKFB-SAKAIADUSA-N 0 0 488.551 0.382 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC[C@@H]3CCCCO3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591077 1069002248 /nfs/dbraw/zinc/00/22/48/1069002248.db2.gz FIDYWLGRBUYERW-IQHPYMONSA-N 0 0 480.572 0.045 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC[C@H]3CCCCO3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591078 1069001938 /nfs/dbraw/zinc/00/19/38/1069001938.db2.gz FIDYWLGRBUYERW-XDCUJIKTSA-N 0 0 480.572 0.045 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cc(C)oc(=O)c3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591196 1069002442 /nfs/dbraw/zinc/00/24/42/1069002442.db2.gz REGNSXKYGFQADF-GIXWELNESA-N 0 0 490.523 0.260 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccc[nH]c3=S)=CCS[C@H]12)c1csc(N)n1 ZINC001185591232 1069002716 /nfs/dbraw/zinc/00/27/16/1069002716.db2.gz ROGDRRWEYWXSHD-WHJQOFBOSA-N 0 0 491.580 0.682 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H](C#N)c3ccccc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591241 1069002735 /nfs/dbraw/zinc/00/27/35/1069002735.db2.gz RPLIPRWQCJPWRL-IFETYJEOSA-N 0 0 497.562 0.741 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCOc3ccccc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591242 1069002429 /nfs/dbraw/zinc/00/24/29/1069002429.db2.gz GUBSTFNISXVRHT-SAKAIADUSA-N 0 0 488.551 0.512 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C#N)c3ccccc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591245 1069002574 /nfs/dbraw/zinc/00/25/74/1069002574.db2.gz RPLIPRWQCJPWRL-UYEIEYGKSA-N 0 0 497.562 0.741 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ncccc3O)=CCS[C@H]12)c1csc(N)n1 ZINC001185591264 1069002507 /nfs/dbraw/zinc/00/25/07/1069002507.db2.gz RTQSZTLHBPVSQW-WHJQOFBOSA-N 0 0 475.512 0.099 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccc(Cl)nn3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591267 1069002406 /nfs/dbraw/zinc/00/24/06/1069002406.db2.gz RVBCFELUIDTZIE-OOBLCDADSA-N 0 0 494.946 0.442 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cncc(O)c3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591274 1069002539 /nfs/dbraw/zinc/00/25/39/1069002539.db2.gz RWABIGZLBIIJSJ-SBGRAJFYSA-N 0 0 475.512 0.099 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@]3(C)CCCOC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591284 1069002491 /nfs/dbraw/zinc/00/24/91/1069002491.db2.gz HNYGKDJYHLSZJW-NPTIOHAGSA-N 0 0 480.572 0.045 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@]3(C)CCCOC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591287 1069002684 /nfs/dbraw/zinc/00/26/84/1069002684.db2.gz HNYGKDJYHLSZJW-UUZFUJNOSA-N 0 0 480.572 0.045 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C)c3cncnc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591290 1069002787 /nfs/dbraw/zinc/00/27/87/1069002787.db2.gz HPELOHOWVWEBOH-HBEOZYLLSA-N 0 0 488.555 0.027 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H](C)c3cncnc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591293 1069002650 /nfs/dbraw/zinc/00/26/50/1069002650.db2.gz HPELOHOWVWEBOH-QYQNJFSOSA-N 0 0 488.555 0.027 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccn4ccnc4c3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591296 1069002590 /nfs/dbraw/zinc/00/25/90/1069002590.db2.gz SDMXFMAOJPTPIG-ARLAXHMGSA-N 0 0 498.550 0.646 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ncncc3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591326 1069002628 /nfs/dbraw/zinc/00/26/28/1069002628.db2.gz STZWEATTYFQCHQ-ZTJYIHJESA-N 0 0 474.528 0.097 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cc(OC)ccn3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591345 1069002668 /nfs/dbraw/zinc/00/26/68/1069002668.db2.gz SWDIMIFPMHHWOH-UENOFOJGSA-N 0 0 489.539 0.402 20 30 JCEDRN COCC1(NC(=O)C2=CCS[C@@H]3[C@H](NC(=O)/C(=N\OC)c4csc(N)n4)C(=O)N23)CCC1 ZINC001185591357 1069002755 /nfs/dbraw/zinc/00/27/55/1069002755.db2.gz IYGZFSRWPVEBTK-SBGRAJFYSA-N 0 0 480.572 0.045 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC3CCC(OC)CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591371 1069002455 /nfs/dbraw/zinc/00/24/55/1069002455.db2.gz JHFZZJPVBWCVEH-FIMGAMAFSA-N 0 0 494.599 0.433 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC[Si](C)(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591396 1069002473 /nfs/dbraw/zinc/00/24/73/1069002473.db2.gz JMEFYQAXDSRQAE-WGHMCSAXSA-N 0 0 468.637 0.353 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC3(CC4CC4)CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591403 1069002771 /nfs/dbraw/zinc/00/27/71/1069002771.db2.gz JMRZCRRYVBSBDA-UENOFOJGSA-N 0 0 476.584 0.809 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3CC34CCC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185591406 1069002995 /nfs/dbraw/zinc/00/29/95/1069002995.db2.gz JMSOZNIJRRJATP-JFVFXWKYSA-N 0 0 462.557 0.418 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3CC34CCC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185591408 1069003197 /nfs/dbraw/zinc/00/31/97/1069003197.db2.gz JMSOZNIJRRJATP-ZBRXOHPTSA-N 0 0 462.557 0.418 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccsc3C#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185591426 1069003231 /nfs/dbraw/zinc/00/32/31/1069003231.db2.gz USONBJZDLMSWFS-SBGRAJFYSA-N 0 0 489.564 0.931 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC[C@H]3C[C@H](F)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591428 1069002950 /nfs/dbraw/zinc/00/29/50/1069002950.db2.gz JWLBZPDYDCAJAE-KICOVJKUSA-N 0 0 468.536 0.224 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)Cc3ccon3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591429 1069002912 /nfs/dbraw/zinc/00/29/12/1069002912.db2.gz USZZIEBCNRPETL-ZKDACBOMSA-N 0 0 477.528 0.006 20 30 JCEDRN CC[C@H](CC#N)NC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185591437 1069002924 /nfs/dbraw/zinc/00/29/24/1069002924.db2.gz JXCADNHQEPGHTB-VFDHRJGPSA-N 0 0 463.545 0.168 20 30 JCEDRN CCCCC(=O)[C@H](C)NC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185591463 1069003048 /nfs/dbraw/zinc/00/30/48/1069003048.db2.gz KHPGHCQBUQERHZ-VCHCHMHXSA-N 0 0 494.599 0.624 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ncc(C)c(C)n3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591464 1069003252 /nfs/dbraw/zinc/00/32/52/1069003252.db2.gz VBNBQSFADNPSNZ-IDFZYYQRSA-N 0 0 488.555 0.405 20 30 JCEDRN COC[C@H]1CCCCN1C(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185591475 1069003212 /nfs/dbraw/zinc/00/32/12/1069003212.db2.gz VCNAYHFVKFBBMC-XFPNFBITSA-N 0 0 494.599 0.387 20 30 JCEDRN COC[C@@H]1CCCCN1C(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185591478 1069003163 /nfs/dbraw/zinc/00/31/63/1069003163.db2.gz VCNAYHFVKFBBMC-ZXSGFMOWSA-N 0 0 494.599 0.387 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3C[C@@H]3C3CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591507 1069003149 /nfs/dbraw/zinc/00/31/49/1069003149.db2.gz LLSZFVDAFGAXOY-AHRRGUBISA-N 0 0 462.557 0.274 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3C[C@H]3C3CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591510 1069003118 /nfs/dbraw/zinc/00/31/18/1069003118.db2.gz LLSZFVDAFGAXOY-AUNLXOIESA-N 0 0 462.557 0.274 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3C[C@H]3C3CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591513 1069003178 /nfs/dbraw/zinc/00/31/78/1069003178.db2.gz LLSZFVDAFGAXOY-GVIPDCAESA-N 0 0 462.557 0.274 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3C[C@@H]3C3CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591515 1069002965 /nfs/dbraw/zinc/00/29/65/1069002965.db2.gz LLSZFVDAFGAXOY-IKJXTRMSSA-N 0 0 462.557 0.274 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC3(c4cccnc4)CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591601 1069002937 /nfs/dbraw/zinc/00/29/37/1069002937.db2.gz LNQNOFIPROWQGP-CDOVDWRASA-N 0 0 499.578 0.560 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@](C)(C#N)CC(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591615 1069002982 /nfs/dbraw/zinc/00/29/82/1069002982.db2.gz MLWNUEWRCFRDCQ-NZYHIBDUSA-N 0 0 491.599 0.804 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@](C)(C#N)CC(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591616 1069003103 /nfs/dbraw/zinc/00/31/03/1069003103.db2.gz MLWNUEWRCFRDCQ-SBZQWAGESA-N 0 0 491.599 0.804 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cnc(C)nc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591619 1069003134 /nfs/dbraw/zinc/00/31/34/1069003134.db2.gz VGIZOFYSYMQYIE-BGZQYGJUSA-N 0 0 474.528 0.097 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C)C3CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591634 1069003560 /nfs/dbraw/zinc/00/35/60/1069003560.db2.gz NFRLZCVVWMZBFM-HHQXRUBJSA-N 0 0 450.546 0.274 20 30 JCEDRN CCC[C@@H](CCO)NC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185591639 1069003424 /nfs/dbraw/zinc/00/34/24/1069003424.db2.gz NKJIAUNXLNZUSF-IQHPYMONSA-N 0 0 482.588 0.027 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCc4ncccc4C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591641 1069003588 /nfs/dbraw/zinc/00/35/88/1069003588.db2.gz VMIIRAJAYKOLQP-WHRDSVKCSA-N 0 0 499.578 0.340 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cc4ccccn4n3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591648 1069003647 /nfs/dbraw/zinc/00/36/47/1069003647.db2.gz VYVGTOWRPOLWQV-ARLAXHMGSA-N 0 0 498.550 0.646 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCCC[C@H]3C#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185591656 1069003635 /nfs/dbraw/zinc/00/36/35/1069003635.db2.gz WOCYIQKHUJFGKD-IQHPYMONSA-N 0 0 475.556 0.264 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCCC[C@@H]3C#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185591658 1069003494 /nfs/dbraw/zinc/00/34/94/1069003494.db2.gz WOCYIQKHUJFGKD-XDCUJIKTSA-N 0 0 475.556 0.264 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)C3CC(C)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591660 1069003437 /nfs/dbraw/zinc/00/34/37/1069003437.db2.gz WOIGKQMVICGEMF-BXCOPCRQSA-N 0 0 464.573 0.617 20 30 JCEDRN CCn1cc(NC(=O)C2=CCS[C@@H]3[C@H](NC(=O)/C(=N\OC)c4csc(N)n4)C(=O)N23)cn1 ZINC001185591669 1069003681 /nfs/dbraw/zinc/00/36/81/1069003681.db2.gz WPYPDYNEUHRKLO-SBGRAJFYSA-N 0 0 476.544 0.215 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H](C)c3ccncc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591674 1069003477 /nfs/dbraw/zinc/00/34/77/1069003477.db2.gz WSOFFIMPJDRUGP-KKFQWFSLSA-N 0 0 487.567 0.632 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C)c3ccncc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591677 1069003506 /nfs/dbraw/zinc/00/35/06/1069003506.db2.gz WSOFFIMPJDRUGP-WFRWVWIGSA-N 0 0 487.567 0.632 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC[C@@H]3CC(C)(C)O3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591680 1069003546 /nfs/dbraw/zinc/00/35/46/1069003546.db2.gz OKXKXQOMEXUIJJ-CFLOZQMYSA-N 0 0 480.572 0.043 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC[C@H]3CC(C)(C)O3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591681 1069003531 /nfs/dbraw/zinc/00/35/31/1069003531.db2.gz OKXKXQOMEXUIJJ-VFDHRJGPSA-N 0 0 480.572 0.043 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cnn(C)c3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591684 1069003516 /nfs/dbraw/zinc/00/35/16/1069003516.db2.gz WVLGYEAVIUURDS-SBGRAJFYSA-N 0 0 476.544 0.040 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3ccccc3O)=CCS[C@H]12)c1csc(N)n1 ZINC001185591685 1069003463 /nfs/dbraw/zinc/00/34/63/1069003463.db2.gz WWUSVRDMHCJFMG-GIXWELNESA-N 0 0 474.524 0.704 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCc3cccc(F)n3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591704 1069003659 /nfs/dbraw/zinc/00/36/59/1069003659.db2.gz ORKYFNNOJGOBFN-DWVKKRMSSA-N 0 0 491.530 0.210 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCCCCC#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185591706 1069003449 /nfs/dbraw/zinc/00/34/49/1069003449.db2.gz OTUVNVZBHLDGJH-SBGRAJFYSA-N 0 0 463.545 0.170 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCc4cccc(N)c43)=CCS[C@H]12)c1csc(N)n1 ZINC001185591710 1069003409 /nfs/dbraw/zinc/00/34/09/1069003409.db2.gz XCBFCPQVMHVROT-RUEJZAJCSA-N 0 0 499.578 0.531 20 30 JCEDRN C=C(C)CN(CC)C(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185591715 1069003575 /nfs/dbraw/zinc/00/35/75/1069003575.db2.gz XFAQNYBUBMBEIJ-MUXSOKPTSA-N 0 0 464.573 0.784 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3CC34CCOCC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185591725 1069003973 /nfs/dbraw/zinc/00/39/73/1069003973.db2.gz PSGBPJJXDPNOQA-JVUZJIDOSA-N 0 0 492.583 0.045 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3CC34CCOCC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185591726 1069004060 /nfs/dbraw/zinc/00/40/60/1069004060.db2.gz PSGBPJJXDPNOQA-YKGQRKJKSA-N 0 0 492.583 0.045 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCC34CCCC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185591742 1069003895 /nfs/dbraw/zinc/00/38/95/1069003895.db2.gz XHTKKEXRTMXRQR-GIXWELNESA-N 0 0 476.584 0.905 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(=O)C(C)(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591770 1069003930 /nfs/dbraw/zinc/00/39/30/1069003930.db2.gz QIAIJHBIEAPVHN-SBGRAJFYSA-N 0 0 480.572 0.091 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)[C@H]3CC[C@H](O)CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591775 1069004020 /nfs/dbraw/zinc/00/40/20/1069004020.db2.gz XOZXYNPZHGXEFA-PYDGZSQSSA-N 0 0 494.599 0.122 20 30 JCEDRN CCc1ccc(NC(=O)C2=CCS[C@@H]3[C@H](NC(=O)/C(=N\OC)c4csc(N)n4)C(=O)N23)cn1 ZINC001185591783 1069004009 /nfs/dbraw/zinc/00/40/09/1069004009.db2.gz XQWQRDSGCPISFJ-ARLAXHMGSA-N 0 0 487.567 0.956 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cccc4nccn43)=CCS[C@H]12)c1csc(N)n1 ZINC001185591791 1069004049 /nfs/dbraw/zinc/00/40/49/1069004049.db2.gz XSKHGKZDWMISJY-ARLAXHMGSA-N 0 0 498.550 0.646 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCc3cnc(C)s3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591795 1069003985 /nfs/dbraw/zinc/00/39/85/1069003985.db2.gz XYVZEPGEYBCZKK-SBGRAJFYSA-N 0 0 493.596 0.441 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)(C)S)=CCS[C@H]12)c1csc(N)n1 ZINC001185591796 1069004073 /nfs/dbraw/zinc/00/40/73/1069004073.db2.gz RAVGKHBHVJLLFI-PCZSKDDWSA-N 0 0 470.602 0.184 20 30 JCEDRN C#CC1(NC(=O)C2=CCS[C@@H]3[C@H](NC(=O)/C(=N\OC)c4csc(N)n4)C(=O)N23)CCCCC1 ZINC001185591801 1069004064 /nfs/dbraw/zinc/00/40/64/1069004064.db2.gz RDEISNOYHUJSKM-ARLAXHMGSA-N 0 0 488.595 0.812 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3CCOC(C)(C)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591806 1069003883 /nfs/dbraw/zinc/00/38/83/1069003883.db2.gz RGEPYKWGXIIBSR-OLEGMKQCSA-N 0 0 494.599 0.433 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)C[C@@H]3CC3(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591807 1069004088 /nfs/dbraw/zinc/00/40/88/1069004088.db2.gz YDUSUWAIDIEBFL-IQHPYMONSA-N 0 0 478.600 0.864 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3CCOC(C)(C)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591808 1069004026 /nfs/dbraw/zinc/00/40/26/1069004026.db2.gz RGEPYKWGXIIBSR-SRBHZJDHSA-N 0 0 494.599 0.433 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)C[C@H]3CC3(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591809 1069003998 /nfs/dbraw/zinc/00/39/98/1069003998.db2.gz YDUSUWAIDIEBFL-XDCUJIKTSA-N 0 0 478.600 0.864 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cc(C4CC4)[nH]n3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591812 1069004042 /nfs/dbraw/zinc/00/40/42/1069004042.db2.gz YGCYHYRYBNYPCL-DWVKKRMSSA-N 0 0 488.555 0.599 20 30 JCEDRN C#Cc1ccc(CNC(=O)C2=CCS[C@@H]3[C@H](NC(=O)/C(=N\OC)c4csc(N)n4)C(=O)N23)cc1 ZINC001185591818 1069004034 /nfs/dbraw/zinc/00/40/34/1069004034.db2.gz RHPDJWDESZCUOI-PQFQYKRASA-N 0 0 496.574 0.657 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cccnc3F)=CCS[C@H]12)c1csc(N)n1 ZINC001185591821 1069003959 /nfs/dbraw/zinc/00/39/59/1069003959.db2.gz YNIQVBXYQLUOLS-ZTJYIHJESA-N 0 0 477.503 0.532 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)C(C)(C)C)=CCS[C@H]12)c1csc(N)n1 ZINC001185591865 1069004553 /nfs/dbraw/zinc/00/45/53/1069004553.db2.gz ZBQHSNAAIMQVCB-WGHMCSAXSA-N 0 0 452.562 0.617 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3c[nH]c4cccnc34)=CCS[C@H]12)c1csc(N)n1 ZINC001185591880 1069004236 /nfs/dbraw/zinc/00/42/36/1069004236.db2.gz ZMIQOMJLKMLIJX-CDOVDWRASA-N 0 0 498.550 0.875 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CC(F)(C4CC4)C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591913 1069004444 /nfs/dbraw/zinc/00/44/44/1069004444.db2.gz ZSZQXLZEQGEAQW-SBGRAJFYSA-N 0 0 480.547 0.320 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3C4CCC3CC4)=CCS[C@H]12)c1csc(N)n1 ZINC001185591915 1069004515 /nfs/dbraw/zinc/00/45/15/1069004515.db2.gz ZUQLKAPMUARGCA-BXCOPCRQSA-N 0 0 462.557 0.513 20 30 JCEDRN CCCN(CCOC)C(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185591920 1069004597 /nfs/dbraw/zinc/00/45/97/1069004597.db2.gz ZVRKOKBZBMOJSH-MUXSOKPTSA-N 0 0 482.588 0.245 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC3(c4ccccn4)CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592076 1069003944 /nfs/dbraw/zinc/00/39/44/1069003944.db2.gz RLQMIHRHJUNEMY-CDOVDWRASA-N 0 0 499.578 0.560 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCCCC(C)(C)O)=CCS[C@H]12)c1csc(N)n1 ZINC001185592077 1069003913 /nfs/dbraw/zinc/00/39/13/1069003913.db2.gz RLXGBFXLUKDZDR-SBGRAJFYSA-N 0 0 482.588 0.027 20 30 JCEDRN C=CCCCNC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185592089 1069004542 /nfs/dbraw/zinc/00/45/42/1069004542.db2.gz SEEKQHPSHFBFNI-ZKDACBOMSA-N 0 0 450.546 0.442 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCc3cc[nH]c3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592129 1069004574 /nfs/dbraw/zinc/00/45/74/1069004574.db2.gz SRYAKWIXBUXRAN-SBGRAJFYSA-N 0 0 461.529 0.004 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC3=CC(=O)CCC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592175 1069004294 /nfs/dbraw/zinc/00/42/94/1069004294.db2.gz ULMUSCHDUWDZDU-GIXWELNESA-N 0 0 476.540 0.113 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCc3ccncc3F)=CCS[C@H]12)c1csc(N)n1 ZINC001185592284 1069004564 /nfs/dbraw/zinc/00/45/64/1069004564.db2.gz WRIYTHSLTAXHNS-DWVKKRMSSA-N 0 0 491.530 0.210 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H]3CC=CCC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592304 1069004253 /nfs/dbraw/zinc/00/42/53/1069004253.db2.gz WYVDPOYIQBEQLP-IQHPYMONSA-N 0 0 462.557 0.585 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3CC=CCC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592306 1069004313 /nfs/dbraw/zinc/00/43/13/1069004313.db2.gz WYVDPOYIQBEQLP-XDCUJIKTSA-N 0 0 462.557 0.585 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCc3cccn3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185592314 1069004469 /nfs/dbraw/zinc/00/44/69/1069004469.db2.gz XKUPFTPPKYNGTA-GIXWELNESA-N 0 0 475.556 0.015 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C)c3ccno3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592349 1069004274 /nfs/dbraw/zinc/00/42/74/1069004274.db2.gz YJOBCIQWJXDCAZ-GQHISGRSSA-N 0 0 477.528 0.225 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H](C)c3ccno3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592350 1069004484 /nfs/dbraw/zinc/00/44/84/1069004484.db2.gz YJOBCIQWJXDCAZ-PDXASHTFSA-N 0 0 477.528 0.225 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NC(C)(C)CC(C)=O)=CCS[C@H]12)c1csc(N)n1 ZINC001185592356 1069004501 /nfs/dbraw/zinc/00/45/01/1069004501.db2.gz YTVUXEMIYIKLKU-SBGRAJFYSA-N 0 0 480.572 0.234 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H](C)c3cnccn3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592420 1069004528 /nfs/dbraw/zinc/00/45/28/1069004528.db2.gz ZVXMOVYFWLENBQ-HBEOZYLLSA-N 0 0 488.555 0.027 20 30 JCEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@H](C)c3cnccn3)=CCS[C@H]12)c1csc(N)n1 ZINC001185592422 1069004917 /nfs/dbraw/zinc/00/49/17/1069004917.db2.gz ZVXMOVYFWLENBQ-QYQNJFSOSA-N 0 0 488.555 0.027 20 30 JCEDRN COc1nc(C(=NO)NC(=O)c2cccc(N3CCCNC(=O)C3)n2)ccc1-n1cnc(C)c1 ZINC001185630723 1069017312 /nfs/dbraw/zinc/01/73/12/1069017312.db2.gz BHLGDTAJOFFKDQ-UHFFFAOYSA-N 0 0 464.486 0.871 20 30 JCEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 ZINC001185673620 1069026979 /nfs/dbraw/zinc/02/69/79/1069026979.db2.gz CIOJJJCFKJLYOK-CYBMUJFWSA-N 0 0 452.551 0.788 20 30 JCEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 ZINC001185673621 1069026777 /nfs/dbraw/zinc/02/67/77/1069026777.db2.gz CIOJJJCFKJLYOK-ZDUSSCGKSA-N 0 0 452.551 0.788 20 30 JCEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F ZINC001185673679 1069026925 /nfs/dbraw/zinc/02/69/25/1069026925.db2.gz DDPCWTZKWRPJDS-SECBINFHSA-N 0 0 453.311 0.498 20 30 JCEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F ZINC001185673681 1069026870 /nfs/dbraw/zinc/02/68/70/1069026870.db2.gz DDPCWTZKWRPJDS-VIFPVBQESA-N 0 0 453.311 0.498 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Nc1cccnc1)C(=O)OCC ZINC001185719288 1069028517 /nfs/dbraw/zinc/02/85/17/1069028517.db2.gz OQWZJAVSPCYKEG-GJZGRUSLSA-N 0 0 483.547 0.009 20 30 JCEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001185762941 1069031143 /nfs/dbraw/zinc/03/11/43/1069031143.db2.gz JMDHEAIXSVUBNG-OAUYIBNBSA-N 0 0 498.544 0.786 20 30 JCEDRN CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185763404 1069031183 /nfs/dbraw/zinc/03/11/83/1069031183.db2.gz KDFQEWTWKXFTFK-BSWAZPDLSA-N 0 0 466.535 0.603 20 30 JCEDRN CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185763407 1069031089 /nfs/dbraw/zinc/03/10/89/1069031089.db2.gz KDFQEWTWKXFTFK-MXASKKJJSA-N 0 0 466.535 0.603 20 30 JCEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N(O)C(=N)c1nonc1N ZINC001185764440 1069031712 /nfs/dbraw/zinc/03/17/12/1069031712.db2.gz XSKAKXWNMLYZTN-SCDSUCTJSA-N 0 0 481.510 0.240 20 30 JCEDRN COC(=O)[C@H](CS)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185764903 1069032499 /nfs/dbraw/zinc/03/24/99/1069032499.db2.gz ZRAGUBFKQQLXQL-SYAUCNOPSA-N 0 0 473.592 0.619 20 30 JCEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@H]1C#N ZINC001185765177 1069033557 /nfs/dbraw/zinc/03/35/57/1069033557.db2.gz QTYKYMUIEUOVSW-CIRFHOKZSA-N 0 0 450.536 0.783 20 30 JCEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@H]1C#N ZINC001185765178 1069033680 /nfs/dbraw/zinc/03/36/80/1069033680.db2.gz QTYKYMUIEUOVSW-XYVMCAHJSA-N 0 0 450.536 0.783 20 30 JCEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)n1nc(N)c(C#N)c1N ZINC001185765187 1069033478 /nfs/dbraw/zinc/03/34/78/1069033478.db2.gz RELJYYLXYIWZGM-BYCMXARLSA-N 0 0 461.523 0.605 20 30 JCEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC001185765392 1069034510 /nfs/dbraw/zinc/03/45/10/1069034510.db2.gz YXHPPPFQHAVWBC-LAVFITLUSA-N 0 0 450.536 0.783 20 30 JCEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC001185765393 1069034768 /nfs/dbraw/zinc/03/47/68/1069034768.db2.gz YXHPPPFQHAVWBC-NRSFXHEJSA-N 0 0 450.536 0.783 20 30 JCEDRN CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1cc(C#N)ccc1I)C2 ZINC001185789340 1069035166 /nfs/dbraw/zinc/03/51/66/1069035166.db2.gz RYOJSSCQSPYKIP-KRWDZBQOSA-N 0 0 452.252 0.726 20 30 JCEDRN CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1cc(C#N)ccc1I)C2 ZINC001185789341 1069035197 /nfs/dbraw/zinc/03/51/97/1069035197.db2.gz RYOJSSCQSPYKIP-QGZVFWFLSA-N 0 0 452.252 0.726 20 30 JCEDRN N#Cc1ccc(I)c(C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)c1 ZINC001185789811 1069035136 /nfs/dbraw/zinc/03/51/36/1069035136.db2.gz XTEYNWOBOUBPFE-UHFFFAOYSA-N 0 0 479.238 0.426 20 30 JCEDRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C#N)ccc1I)C2 ZINC001185795162 1069035786 /nfs/dbraw/zinc/03/57/86/1069035786.db2.gz KQQFOOGMROIWND-GFCCVEGCSA-N 0 0 474.276 0.965 20 30 JCEDRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C#N)ccc1I)C2 ZINC001185795163 1069035741 /nfs/dbraw/zinc/03/57/41/1069035741.db2.gz KQQFOOGMROIWND-LBPRGKRZSA-N 0 0 474.276 0.965 20 30 JCEDRN N#Cc1cnn2c1ncc(C#N)c2NC(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185808499 1069035649 /nfs/dbraw/zinc/03/56/49/1069035649.db2.gz BBOWPRDURJBYJG-UHFFFAOYSA-N 0 0 463.435 0.966 20 30 JCEDRN N#Cc1c(N)nc(=NC2CC2)n(C(=O)CNC(=O)OCC2=Cc3ccccc3S2(=O)=O)c1N ZINC001185809043 1069035782 /nfs/dbraw/zinc/03/57/82/1069035782.db2.gz JORZTJHIODTTJH-UHFFFAOYSA-N 0 0 469.483 0.177 20 30 JCEDRN N#Cc1nccnc1N1CCN(C(=O)CNC(=O)OCC2=Cc3ccccc3S2(=O)=O)CC1 ZINC001185809111 1069035654 /nfs/dbraw/zinc/03/56/54/1069035654.db2.gz BXYGLGBXBWTHSJ-UHFFFAOYSA-N 0 0 468.495 0.551 20 30 JCEDRN Cc1cn([C@H]2C[C@H](NC(=O)c3cc(C#N)ccc3I)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001185817479 1069045441 /nfs/dbraw/zinc/04/54/41/1069045441.db2.gz GSRXQIIYNHGBAL-RRFJBIMHSA-N 0 0 496.261 0.812 20 30 JCEDRN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001185867738 1069050755 /nfs/dbraw/zinc/05/07/55/1069050755.db2.gz NKKLBUXRGCZJSI-CVDCTZTESA-N 0 0 457.531 0.994 20 30 JCEDRN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001185867742 1069050745 /nfs/dbraw/zinc/05/07/45/1069050745.db2.gz NKKLBUXRGCZJSI-WMZHIEFXSA-N 0 0 457.531 0.994 20 30 JCEDRN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001185867853 1069050794 /nfs/dbraw/zinc/05/07/94/1069050794.db2.gz QHGDWPVSUGVFFM-HTAPYJJXSA-N 0 0 458.519 0.389 20 30 JCEDRN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001185867854 1069050764 /nfs/dbraw/zinc/05/07/64/1069050764.db2.gz QHGDWPVSUGVFFM-JTSKRJEESA-N 0 0 458.519 0.389 20 30 JCEDRN CCOC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(OCCOC)c(OCCOC)cc1C#N ZINC001185869168 1069051576 /nfs/dbraw/zinc/05/15/76/1069051576.db2.gz AVIMMEPKJRNGSB-HNNXBMFYSA-N 0 0 452.464 0.537 20 30 JCEDRN CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001185882095 1069058452 /nfs/dbraw/zinc/05/84/52/1069058452.db2.gz CDOOKBQGTOIFBL-AWEZNQCLSA-N 0 0 460.539 0.678 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cn4cnc5c4nc(N)nc5Cl)C3)OCC2=O)cc1 ZINC001185899015 1069056616 /nfs/dbraw/zinc/05/66/16/1069056616.db2.gz XFVSZHCUDJTYJR-JOCHJYFZSA-N 0 0 496.915 0.595 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cn4cnc5c4nc(N)nc5Cl)C3)OCC2=O)cc1 ZINC001185899018 1069056607 /nfs/dbraw/zinc/05/66/07/1069056607.db2.gz XFVSZHCUDJTYJR-QFIPXVFZSA-N 0 0 496.915 0.595 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC001185908883 1069057297 /nfs/dbraw/zinc/05/72/97/1069057297.db2.gz NWXIMOGGTMAVGE-UHFFFAOYSA-N 0 0 451.368 0.176 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)NC1CCCC1)C(=O)OCC ZINC001185923707 1069062672 /nfs/dbraw/zinc/06/26/72/1069062672.db2.gz RYDRPJGEQLJIDE-GJZGRUSLSA-N 0 0 474.580 0.034 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)CN2CC[C@H](O)C2)c1N1CCCC1 ZINC001186034738 1069065819 /nfs/dbraw/zinc/06/58/19/1069065819.db2.gz CMHWYMMMKVFBGM-HNNXBMFYSA-N 0 0 450.547 0.877 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)CN2CC[C@@H](O)C2)c1N1CCCC1 ZINC001186034739 1069065920 /nfs/dbraw/zinc/06/59/20/1069065920.db2.gz CMHWYMMMKVFBGM-OAHLLOKOSA-N 0 0 450.547 0.877 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)CN1CC[C@H](O)C1 ZINC001186044752 1069067705 /nfs/dbraw/zinc/06/77/05/1069067705.db2.gz JUYAYXFNQLKIPY-BZSNNMDCSA-N 0 0 451.543 0.135 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)CN1CC[C@@H](O)C1 ZINC001186044753 1069067611 /nfs/dbraw/zinc/06/76/11/1069067611.db2.gz JUYAYXFNQLKIPY-OKZBNKHCSA-N 0 0 451.543 0.135 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4ccc(OCC(N)=O)cc4)C3)OCC2=O)cc1 ZINC001186051407 1069068608 /nfs/dbraw/zinc/06/86/08/1069068608.db2.gz MJZJSKFMSLNLCA-DEOSSOPVSA-N 0 0 464.478 0.697 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4ccc(OCC(N)=O)cc4)C3)OCC2=O)cc1 ZINC001186051410 1069068547 /nfs/dbraw/zinc/06/85/47/1069068547.db2.gz MJZJSKFMSLNLCA-XMMPIXPASA-N 0 0 464.478 0.697 20 30 JCEDRN COC(=O)[C@H]1CCN(CC(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C1 ZINC001186100710 1069072737 /nfs/dbraw/zinc/07/27/37/1069072737.db2.gz CYTLIPQALTYOER-FDDCHVKYSA-N 0 0 456.499 0.014 20 30 JCEDRN COC(=O)[C@H]1CCN(CC(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C1 ZINC001186100711 1069072725 /nfs/dbraw/zinc/07/27/25/1069072725.db2.gz CYTLIPQALTYOER-MBSDFSHPSA-N 0 0 456.499 0.014 20 30 JCEDRN COC(=O)[C@H]1CCN(CC(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001186107347 1069073457 /nfs/dbraw/zinc/07/34/57/1069073457.db2.gz MOJQEGHXVQOILG-FHWLQOOXSA-N 0 0 493.580 0.564 20 30 JCEDRN N=C(c1nonc1N)N(O)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 ZINC001186118951 1069075296 /nfs/dbraw/zinc/07/52/96/1069075296.db2.gz LWEYEOCKOZAVON-HNNXBMFYSA-N 0 0 451.443 0.352 20 30 JCEDRN N#Cc1nc(N)c(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)c2ccccc2)nc1C#N ZINC001186119472 1069075314 /nfs/dbraw/zinc/07/53/14/1069075314.db2.gz QHIBMMNLVQJGKE-KRWDZBQOSA-N 0 0 468.477 0.898 20 30 JCEDRN N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)c2ccccc2)c1N ZINC001186119948 1069076264 /nfs/dbraw/zinc/07/62/64/1069076264.db2.gz YVNAIAFFTLDMNO-FQEVSTJZSA-N 0 0 498.547 0.780 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1ccc(O)cc1C)C(=O)OCC ZINC001186202317 1069082877 /nfs/dbraw/zinc/08/28/77/1069082877.db2.gz OEEXROPBVDSZIA-IRXDYDNUSA-N 0 0 497.570 0.236 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C(F)(F)F ZINC001186222941 1069084263 /nfs/dbraw/zinc/08/42/63/1069084263.db2.gz XBUTUMYJHULMGW-CABCVRRESA-N 0 0 453.464 0.353 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C(F)(F)F ZINC001186223042 1069084202 /nfs/dbraw/zinc/08/42/02/1069084202.db2.gz XBUTUMYJHULMGW-GJZGRUSLSA-N 0 0 453.464 0.353 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C(F)(F)F ZINC001186223043 1069084183 /nfs/dbraw/zinc/08/41/83/1069084183.db2.gz XBUTUMYJHULMGW-HUUCEWRRSA-N 0 0 453.464 0.353 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C(F)(F)F ZINC001186223044 1069084476 /nfs/dbraw/zinc/08/44/76/1069084476.db2.gz XBUTUMYJHULMGW-LSDHHAIUSA-N 0 0 453.464 0.353 20 30 JCEDRN COCCNC(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001186530112 1069098948 /nfs/dbraw/zinc/09/89/48/1069098948.db2.gz SRFVSNGJQGBORO-SFHVURJKSA-N 0 0 484.561 0.719 20 30 JCEDRN C=Cc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC)cc1 ZINC001186534336 1069099069 /nfs/dbraw/zinc/09/90/69/1069099069.db2.gz DYPOVODXCSGOON-ROUUACIJSA-N 0 0 493.582 0.865 20 30 JCEDRN C=CCN1CCN(C)C2(CCN(S(=O)(=O)c3cc(C(=O)OC)ccc3OC)CC2)C1=O ZINC001186553666 1069100126 /nfs/dbraw/zinc/10/01/26/1069100126.db2.gz DKBGRDMCUSDEGV-UHFFFAOYSA-N 0 0 451.545 0.965 20 30 JCEDRN COCCNC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001186560461 1069103405 /nfs/dbraw/zinc/10/34/05/1069103405.db2.gz USCNVKNVPMDTHN-GOSISDBHSA-N 0 0 458.494 0.520 20 30 JCEDRN CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCNC[C@@H]1C#N ZINC001186583425 1069108065 /nfs/dbraw/zinc/10/80/65/1069108065.db2.gz DMECABNSRRYOMR-PMVMPFDFSA-N 0 0 463.538 0.491 20 30 JCEDRN CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCNC[C@H]1C#N ZINC001186583428 1069108133 /nfs/dbraw/zinc/10/81/33/1069108133.db2.gz DMECABNSRRYOMR-PUHATCMVSA-N 0 0 463.538 0.491 20 30 JCEDRN CCOC(=O)[C@@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O ZINC001186586539 1069109831 /nfs/dbraw/zinc/10/98/31/1069109831.db2.gz ADZLGCPJUVBCTJ-FDFHNCONSA-N 0 0 480.521 0.738 20 30 JCEDRN CCOC(=O)[C@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O ZINC001186586540 1069109950 /nfs/dbraw/zinc/10/99/50/1069109950.db2.gz ADZLGCPJUVBCTJ-FKBYEOEOSA-N 0 0 480.521 0.738 20 30 JCEDRN CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OC(C)(C)C)C2 ZINC001186586738 1069110424 /nfs/dbraw/zinc/11/04/24/1069110424.db2.gz AABIGPGXRFXVLL-AWEZNQCLSA-N 0 0 465.532 0.465 20 30 JCEDRN CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@@H]1C#N ZINC001186586834 1069110330 /nfs/dbraw/zinc/11/03/30/1069110330.db2.gz GMAJTXONVCAKRO-PMVMPFDFSA-N 0 0 464.522 0.918 20 30 JCEDRN CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@H]1C#N ZINC001186586835 1069110346 /nfs/dbraw/zinc/11/03/46/1069110346.db2.gz GMAJTXONVCAKRO-PUHATCMVSA-N 0 0 464.522 0.918 20 30 JCEDRN COC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O ZINC001186587203 1069111083 /nfs/dbraw/zinc/11/10/83/1069111083.db2.gz KQHWDNSTVWWWBZ-ACRUOGEOSA-N 0 0 487.578 0.755 20 30 JCEDRN CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1ncc(Br)nc1C#C[Si](C)(C)C ZINC001186587818 1069111829 /nfs/dbraw/zinc/11/18/29/1069111829.db2.gz NZWBFUQSJLRADF-LBPRGKRZSA-N 0 0 456.373 0.020 20 30 JCEDRN CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C#N)C1 ZINC001186588435 1069099477 /nfs/dbraw/zinc/09/94/77/1069099477.db2.gz XLHNMOWDUDODPJ-VABKMULXSA-N 0 0 464.522 0.918 20 30 JCEDRN CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C#N)C1 ZINC001186588437 1069099640 /nfs/dbraw/zinc/09/96/40/1069099640.db2.gz XLHNMOWDUDODPJ-VJBWXMMDSA-N 0 0 464.522 0.918 20 30 JCEDRN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001186595193 1069127971 /nfs/dbraw/zinc/12/79/71/1069127971.db2.gz BUIXUKYQDCKFFO-INIZCTEOSA-N 0 0 451.321 0.446 20 30 JCEDRN CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1cc(C(F)(F)F)c(C#N)cc1I ZINC001186599653 1069129220 /nfs/dbraw/zinc/12/92/20/1069129220.db2.gz VEJPXJNEZIWQGD-LBPRGKRZSA-N 0 0 498.199 0.733 20 30 JCEDRN CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC001186599758 1069129342 /nfs/dbraw/zinc/12/93/42/1069129342.db2.gz XGQOILQWJIOBGJ-QFIPXVFZSA-N 0 0 492.536 0.072 20 30 JCEDRN CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001186603122 1069130377 /nfs/dbraw/zinc/13/03/77/1069130377.db2.gz NDINAQCTIHJHAY-NRFANRHFSA-N 0 0 462.506 0.053 20 30 JCEDRN CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(C)C ZINC001186612627 1069116885 /nfs/dbraw/zinc/11/68/85/1069116885.db2.gz WTMVEGKMVLOLDG-IKGGRYGDSA-N 0 0 469.608 0.966 20 30 JCEDRN C=CCOC(=O)N1CCC2(CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2)CC1 ZINC001186625034 1069120215 /nfs/dbraw/zinc/12/02/15/1069120215.db2.gz DPOLKIIZEWJZHZ-BZSNNMDCSA-N 0 0 493.605 0.548 20 30 JCEDRN Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)CCC(=O)N(C)CC#N)ccc12 ZINC001186625445 1069121693 /nfs/dbraw/zinc/12/16/93/1069121693.db2.gz NMBPFJXOXOVKME-SFHVURJKSA-N 0 0 481.509 0.909 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ncc(C#N)cc1Br ZINC001186625448 1069121747 /nfs/dbraw/zinc/12/17/47/1069121747.db2.gz NSPGDTZHMSVBGI-GUBZILKMSA-N 0 0 453.297 0.188 20 30 JCEDRN C#CCNC(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001186625568 1069121628 /nfs/dbraw/zinc/12/16/28/1069121628.db2.gz SMSYRKQDONTQEZ-SFHVURJKSA-N 0 0 466.494 0.677 20 30 JCEDRN C=C[C@@H](CO)NC(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001186625604 1069121715 /nfs/dbraw/zinc/12/17/15/1069121715.db2.gz URAKPUASDLVELL-LPHOPBHVSA-N 0 0 498.536 0.590 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1c(C#N)c(CC#N)nn1-c1ccccc1 ZINC001186626356 1069122975 /nfs/dbraw/zinc/12/29/75/1069122975.db2.gz BRZBURZWPOOVPP-KKUMJFAQSA-N 0 0 478.513 0.283 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1c(C#N)cnnc1-c1ccccc1 ZINC001186626654 1069123060 /nfs/dbraw/zinc/12/30/60/1069123060.db2.gz FLXRODOTRBZROI-IHRRRGAJSA-N 0 0 451.487 0.488 20 30 JCEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2 ZINC001186627868 1069124539 /nfs/dbraw/zinc/12/45/39/1069124539.db2.gz QLYQOVJYHNOMNX-CFLDLGCGSA-N 0 0 463.579 0.080 20 30 JCEDRN C=CCN1C(=O)CC[C@]12CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2 ZINC001186627872 1069124543 /nfs/dbraw/zinc/12/45/43/1069124543.db2.gz QLYQOVJYHNOMNX-DSFVOBFGSA-N 0 0 463.579 0.080 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001186629572 1069125733 /nfs/dbraw/zinc/12/57/33/1069125733.db2.gz AYMLKPIIUVPLFK-ULMVMLMRSA-N 0 0 457.531 0.462 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001186629573 1069125721 /nfs/dbraw/zinc/12/57/21/1069125721.db2.gz AYMLKPIIUVPLFK-ZKNHNOBHSA-N 0 0 457.531 0.462 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001186630508 1069126214 /nfs/dbraw/zinc/12/62/14/1069126214.db2.gz IHVPPXYIYWFJAL-ULQDDVLXSA-N 0 0 455.559 0.873 20 30 JCEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CCO2 ZINC001186631009 1069126962 /nfs/dbraw/zinc/12/69/62/1069126962.db2.gz LXWWRFMKYXAFIU-UGECPWBJSA-N 0 0 466.579 0.121 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(C#N)cc1OC(F)(F)F ZINC001186634504 1069145661 /nfs/dbraw/zinc/14/56/61/1069145661.db2.gz DPJNLBTZVYEGIV-DCAQKATOSA-N 0 0 457.409 0.929 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N=C(NO)c1ccc(OC(F)(F)F)cc1 ZINC001186634527 1069145407 /nfs/dbraw/zinc/14/54/07/1069145407.db2.gz AGGVBSPIXGYQII-DCAQKATOSA-N 0 0 475.424 0.371 20 30 JCEDRN CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)c(C)c1O ZINC001186636422 1069147523 /nfs/dbraw/zinc/14/75/23/1069147523.db2.gz PUYACXWYMZQGBE-AVGNSLFASA-N 0 0 475.502 0.222 20 30 JCEDRN CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186636494 1069147980 /nfs/dbraw/zinc/14/79/80/1069147980.db2.gz QJALYYZAJIDVJT-JYJNAYRXSA-N 0 0 487.557 0.917 20 30 JCEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001186636800 1069148583 /nfs/dbraw/zinc/14/85/83/1069148583.db2.gz VYENZIJDGRWXIJ-DCAQKATOSA-N 0 0 462.890 0.166 20 30 JCEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N(CCC#N)Cc1cccnc1)C(N)=O ZINC001186641153 1069152373 /nfs/dbraw/zinc/15/23/73/1069152373.db2.gz GIXZTLRFWWFONT-DOTOQJQBSA-N 0 0 460.535 0.987 20 30 JCEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)Nc1c(C#N)cnc2c(C#N)cnn21)C(N)=O ZINC001186641258 1069152450 /nfs/dbraw/zinc/15/24/50/1069152450.db2.gz IDOZVNPVTLQQLE-SMDDNHRTSA-N 0 0 483.489 0.075 20 30 JCEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCN(c2ccccc2C#N)CC1)C(N)=O ZINC001186641277 1069153340 /nfs/dbraw/zinc/15/33/40/1069153340.db2.gz KALYWVPRBVKUMS-FUHWJXTLSA-N 0 0 486.573 0.870 20 30 JCEDRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C#N)C(N)=O ZINC001186641869 1069153857 /nfs/dbraw/zinc/15/38/57/1069153857.db2.gz LVSFSTZKKNLJAZ-FDFHNCONSA-N 0 0 474.521 0.436 20 30 JCEDRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C#N)C(N)=O ZINC001186641870 1069154043 /nfs/dbraw/zinc/15/40/43/1069154043.db2.gz LVSFSTZKKNLJAZ-FKBYEOEOSA-N 0 0 474.521 0.436 20 30 JCEDRN C=CCOC(=O)N[C@@H]1CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)C1 ZINC001186645862 1069158169 /nfs/dbraw/zinc/15/81/69/1069158169.db2.gz GFAQKSLGRVRZSC-ARFHVFGLSA-N 0 0 483.566 0.553 20 30 JCEDRN C=CCOC(=O)N[C@H]1CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)C1 ZINC001186645863 1069158064 /nfs/dbraw/zinc/15/80/64/1069158064.db2.gz GFAQKSLGRVRZSC-HRCADAONSA-N 0 0 483.566 0.553 20 30 JCEDRN COC(=O)c1cc(C#N)cc(NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)c1 ZINC001186645962 1069158940 /nfs/dbraw/zinc/15/89/40/1069158940.db2.gz IWYYCEZBTKYZDG-BLLLJJGKSA-N 0 0 475.502 0.947 20 30 JCEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)Nc1cc(C#N)c(C#N)cc1N)C(N)=O ZINC001186646909 1069161405 /nfs/dbraw/zinc/16/14/05/1069161405.db2.gz ZELSEQHPXGUPSM-XHDPSFHLSA-N 0 0 457.491 0.614 20 30 JCEDRN CNC(=O)c1cc(C#N)cc(C)c1NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186646910 1069161501 /nfs/dbraw/zinc/16/15/01/1069161501.db2.gz ZFLGMRPWKDVEJL-XJKSGUPXSA-N 0 0 488.545 0.828 20 30 JCEDRN Cc1ccc(C(=NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)NO)nc1 ZINC001186648645 1069161385 /nfs/dbraw/zinc/16/13/85/1069161385.db2.gz BUBSLLPLEATBHZ-QWHCGFSZSA-N 0 0 450.496 0.306 20 30 JCEDRN COc1ccc(C(=NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)NO)nc1 ZINC001186649535 1069163860 /nfs/dbraw/zinc/16/38/60/1069163860.db2.gz PCIXJAJTKVDHAU-WCQYABFASA-N 0 0 466.495 0.006 20 30 JCEDRN C=C[C@H]1C[C@@]1(NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)C(=O)OCC ZINC001186650510 1069165218 /nfs/dbraw/zinc/16/52/18/1069165218.db2.gz XZJWSNQCVALPPI-DZDAQESYSA-N 0 0 454.524 0.274 20 30 JCEDRN C=C[C@@H]1C[C@@]1(NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)C(=O)OCC ZINC001186650511 1069165140 /nfs/dbraw/zinc/16/51/40/1069165140.db2.gz XZJWSNQCVALPPI-JLOINQRVSA-N 0 0 454.524 0.274 20 30 JCEDRN C=C[C@@H]1C[C@]1(NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)C(=O)OCC ZINC001186650512 1069165113 /nfs/dbraw/zinc/16/51/13/1069165113.db2.gz XZJWSNQCVALPPI-UKDCMPHDSA-N 0 0 454.524 0.274 20 30 JCEDRN C=C[C@H]1C[C@]1(NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)C(=O)OCC ZINC001186650513 1069165138 /nfs/dbraw/zinc/16/51/38/1069165138.db2.gz XZJWSNQCVALPPI-WCYJSBMESA-N 0 0 454.524 0.274 20 30 JCEDRN C=CCOC(=O)N1CCC(CNC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)CC1 ZINC001186650792 1069165893 /nfs/dbraw/zinc/16/58/93/1069165893.db2.gz IBACVXBPAVYGSZ-DOTOQJQBSA-N 0 0 497.593 0.801 20 30 JCEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NC1(C#N)Cc2ccccc2C1)C(N)=O ZINC001186651298 1069167281 /nfs/dbraw/zinc/16/72/81/1069167281.db2.gz QYNVLPSBOQJREY-WMLDXEAASA-N 0 0 457.531 0.827 20 30 JCEDRN N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186653422 1069168240 /nfs/dbraw/zinc/16/82/40/1069168240.db2.gz HTHRDKPNGDDTHA-OALUTQOASA-N 0 0 481.476 0.899 20 30 JCEDRN N#Cc1nc(N)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)nc1C#N ZINC001186654689 1069168963 /nfs/dbraw/zinc/16/89/63/1069168963.db2.gz XWRZSSKAYXDJBC-GJZGRUSLSA-N 0 0 457.454 0.228 20 30 JCEDRN COC(=O)C1(C#N)CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001186656946 1069170426 /nfs/dbraw/zinc/17/04/26/1069170426.db2.gz JRGIYWOJDOWHSZ-OALUTQOASA-N 0 0 465.510 0.779 20 30 JCEDRN N#Cc1nccnc1N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001186657848 1069171094 /nfs/dbraw/zinc/17/10/94/1069171094.db2.gz RXQJTOVLPYSDNF-PMACEKPBSA-N 0 0 486.536 0.484 20 30 JCEDRN COC(=O)n1ncc(C#N)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186659376 1069172511 /nfs/dbraw/zinc/17/25/11/1069172511.db2.gz IHJCBPPGJPWYBS-IRXDYDNUSA-N 0 0 463.454 0.795 20 30 JCEDRN COc1ccc(C(=NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)NO)nc1 ZINC001186660178 1069173117 /nfs/dbraw/zinc/17/31/17/1069173117.db2.gz TVRZFBBVLCBIMR-OALUTQOASA-N 0 0 464.482 0.830 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC001186661825 1069173693 /nfs/dbraw/zinc/17/36/93/1069173693.db2.gz AQBSVHGDNYWAQZ-VXKWHMMOSA-N 0 0 480.569 0.325 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001186663260 1069175591 /nfs/dbraw/zinc/17/55/91/1069175591.db2.gz FXLZOEXYJDZHOX-ROUUACIJSA-N 0 0 454.531 0.939 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(CCC#N)Cc1cccnc1 ZINC001186663266 1069175557 /nfs/dbraw/zinc/17/55/57/1069175557.db2.gz GBTJPVWPRHQYJA-PMACEKPBSA-N 0 0 454.531 0.442 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ncc(C#N)cc1Br ZINC001186663281 1069176437 /nfs/dbraw/zinc/17/64/37/1069176437.db2.gz GPROXARSWVPRTK-HOTGVXAUSA-N 0 0 491.346 0.772 20 30 JCEDRN COC(=O)c1scc(C#N)c1NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186663308 1069176353 /nfs/dbraw/zinc/17/63/53/1069176353.db2.gz HNEBPNOAHRWTHZ-GJZGRUSLSA-N 0 0 475.527 0.463 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCc2cc(C#N)ccc2C1 ZINC001186663602 1069177668 /nfs/dbraw/zinc/17/76/68/1069177668.db2.gz MRFDVDKYAQVYQC-SFTDATJTSA-N 0 0 451.527 0.561 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c2cccc(C#N)c21 ZINC001186663614 1069177703 /nfs/dbraw/zinc/17/77/03/1069177703.db2.gz NLDWDCQTYIQNLU-IRXDYDNUSA-N 0 0 451.487 0.491 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ncccc2cc1C#N ZINC001186664016 1069179734 /nfs/dbraw/zinc/17/97/34/1069179734.db2.gz XDAOXPREKDSVFU-ROUUACIJSA-N 0 0 463.498 0.558 20 30 JCEDRN C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001186666266 1069131770 /nfs/dbraw/zinc/13/17/70/1069131770.db2.gz AIJXKJSRSJJRFR-FHWLQOOXSA-N 0 0 477.562 0.008 20 30 JCEDRN C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001186666272 1069131616 /nfs/dbraw/zinc/13/16/16/1069131616.db2.gz AIJXKJSRSJJRFR-QYZOEREBSA-N 0 0 477.562 0.008 20 30 JCEDRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)cc1C#N ZINC001186666313 1069131845 /nfs/dbraw/zinc/13/18/45/1069131845.db2.gz AVPZALWLEDOTBR-PMACEKPBSA-N 0 0 468.514 0.573 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCCN(c2ccc(C#N)cn2)CC1 ZINC001186667275 1069135895 /nfs/dbraw/zinc/13/58/95/1069135895.db2.gz WHSPXRNCWPLKMJ-SFTDATJTSA-N 0 0 495.584 0.110 20 30 JCEDRN C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186668949 1069137143 /nfs/dbraw/zinc/13/71/43/1069137143.db2.gz BMSTVBGNUBTKFW-FKBYEOEOSA-N 0 0 498.580 0.561 20 30 JCEDRN COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)c1 ZINC001186669306 1069137763 /nfs/dbraw/zinc/13/77/63/1069137763.db2.gz FJGRIWHBXMLTFW-OALUTQOASA-N 0 0 469.498 0.401 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C#N)c(C#N)cc1N ZINC001186669351 1069137719 /nfs/dbraw/zinc/13/77/19/1069137719.db2.gz HKQSVJIYBRZCGQ-OALUTQOASA-N 0 0 451.487 0.069 20 30 JCEDRN CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186669634 1069138683 /nfs/dbraw/zinc/13/86/83/1069138683.db2.gz PMNJMEGNEXJBKM-OALUTQOASA-N 0 0 482.541 0.283 20 30 JCEDRN COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186669800 1069138753 /nfs/dbraw/zinc/13/87/53/1069138753.db2.gz UHCYFJSPFLHPAH-ROUUACIJSA-N 0 0 459.478 0.763 20 30 JCEDRN C=CCOC(=O)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC001186670317 1069140662 /nfs/dbraw/zinc/14/06/62/1069140662.db2.gz DFOUXZYAQYLMAT-PMACEKPBSA-N 0 0 491.589 0.255 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2C#N ZINC001186670364 1069141193 /nfs/dbraw/zinc/14/11/93/1069141193.db2.gz GDBGCOBZNOVLSB-HKBOAZHASA-N 0 0 451.527 0.780 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1(C#N)Cc2ccccc2C1 ZINC001186670471 1069141840 /nfs/dbraw/zinc/14/18/40/1069141840.db2.gz KHAMUDMFGXCPBO-PMACEKPBSA-N 0 0 451.527 0.282 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCOc1ccccc1C#N ZINC001186670482 1069141785 /nfs/dbraw/zinc/14/17/85/1069141785.db2.gz KRSKNJPGDFXFSO-PMACEKPBSA-N 0 0 469.542 0.561 20 30 JCEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N=C(N)c1ccc2cc(O)ccc2c1 ZINC001186670704 1069143555 /nfs/dbraw/zinc/14/35/55/1069143555.db2.gz SPXUPCYGSGYFNE-SFTDATJTSA-N 0 0 479.537 0.895 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)cc1Br ZINC001186674241 1069188253 /nfs/dbraw/zinc/18/82/53/1069188253.db2.gz DMRLSXDGTWTEOF-UHFFFAOYSA-N 0 0 454.393 0.978 20 30 JCEDRN N#Cc1c(Br)cccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 ZINC001186674767 1069188391 /nfs/dbraw/zinc/18/83/91/1069188391.db2.gz NHIMLRLVPIMZRR-UHFFFAOYSA-N 0 0 454.393 0.978 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nccnc1C(N)=O ZINC001186692885 1069181020 /nfs/dbraw/zinc/18/10/20/1069181020.db2.gz BSNCFDUFIVKLPT-PMACEKPBSA-N 0 0 499.531 0.883 20 30 JCEDRN CS(=O)(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186693220 1069181005 /nfs/dbraw/zinc/18/10/05/1069181005.db2.gz FZVKBIUZPKZFOO-SFTDATJTSA-N 0 0 484.578 0.516 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnn1 ZINC001186693382 1069180954 /nfs/dbraw/zinc/18/09/54/1069180954.db2.gz IIYKRSJBIXNYOX-VXKWHMMOSA-N 0 0 473.537 0.763 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1c[nH]nc1C(N)=O ZINC001186693383 1069180870 /nfs/dbraw/zinc/18/08/70/1069180870.db2.gz IKCKVYPOXUOKMC-OALUTQOASA-N 0 0 487.520 0.816 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)n1nc(N)c(C#N)c1N ZINC001186693400 1069180914 /nfs/dbraw/zinc/18/09/14/1069180914.db2.gz JNFOHIQSKRKTNA-PMACEKPBSA-N 0 0 484.520 0.928 20 30 JCEDRN CCNC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186693456 1069180959 /nfs/dbraw/zinc/18/09/59/1069180959.db2.gz KMOIGDLXVXSTMF-VXKWHMMOSA-N 0 0 477.565 0.950 20 30 JCEDRN C[C@@H](O)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186693567 1069180974 /nfs/dbraw/zinc/18/09/74/1069180974.db2.gz MRIYFWCBKGOLIU-KDXIVRHGSA-N 0 0 466.538 0.213 20 30 JCEDRN CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC#N)CC1=O ZINC001186693592 1069181630 /nfs/dbraw/zinc/18/16/30/1069181630.db2.gz NMGVDYACHBDBNQ-VXKWHMMOSA-N 0 0 475.549 0.656 20 30 JCEDRN Cn1nnnc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186693720 1069181505 /nfs/dbraw/zinc/18/15/05/1069181505.db2.gz OQKJNQYTYDXQFF-OALUTQOASA-N 0 0 460.498 0.517 20 30 JCEDRN Cn1[nH]cnc1=NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186693726 1069181548 /nfs/dbraw/zinc/18/15/48/1069181548.db2.gz PBSYDAGQRPVOMI-PMACEKPBSA-N 0 0 459.510 0.544 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nonc1N ZINC001186693941 1069181508 /nfs/dbraw/zinc/18/15/08/1069181508.db2.gz SVUCFUFHLZOHNX-ROUUACIJSA-N 0 0 461.482 0.959 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1c(N)c(=O)c1=O ZINC001186693960 1069181588 /nfs/dbraw/zinc/18/15/88/1069181588.db2.gz UHJDHAXBZAUMEH-ROUUACIJSA-N 0 0 473.489 0.172 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCn2cnnc2C1 ZINC001186693971 1069181493 /nfs/dbraw/zinc/18/14/93/1069181493.db2.gz UUNAPDDDZVHMHX-VXKWHMMOSA-N 0 0 485.548 0.989 20 30 JCEDRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C#N)C(N)=O ZINC001186693997 1069181451 /nfs/dbraw/zinc/18/14/51/1069181451.db2.gz WCUNUKSPEOGCGG-AVGNSLFASA-N 0 0 461.610 0.364 20 30 JCEDRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C#N)C(N)=O ZINC001186693998 1069181602 /nfs/dbraw/zinc/18/16/02/1069181602.db2.gz WCUNUKSPEOGCGG-RWMBFGLXSA-N 0 0 461.610 0.364 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CN(C2COC2)C1 ZINC001186695979 1069181618 /nfs/dbraw/zinc/18/16/18/1069181618.db2.gz ADYRTNZIAOMGMX-ZEQRLZLVSA-N 0 0 489.576 0.554 20 30 JCEDRN CN1CCO[C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC#N)C1 ZINC001186696037 1069181569 /nfs/dbraw/zinc/18/15/69/1069181569.db2.gz AVWZOSSFHHAVGR-HJOGWXRNSA-N 0 0 491.592 0.802 20 30 JCEDRN CN1CCO[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC#N)C1 ZINC001186696038 1069181531 /nfs/dbraw/zinc/18/15/31/1069181531.db2.gz AVWZOSSFHHAVGR-SGNDLWITSA-N 0 0 491.592 0.802 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)n1cc(N)c(=O)nc1N ZINC001186696043 1069181611 /nfs/dbraw/zinc/18/16/11/1069181611.db2.gz AYWGYKUMQGKUAX-PMACEKPBSA-N 0 0 487.520 0.659 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001186696053 1069181515 /nfs/dbraw/zinc/18/15/15/1069181515.db2.gz BFQNNQHVTZFEHW-FKBYEOEOSA-N 0 0 475.549 0.750 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001186696054 1069181591 /nfs/dbraw/zinc/18/15/91/1069181591.db2.gz BFQNNQHVTZFEHW-FSSWDIPSSA-N 0 0 475.549 0.750 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001186696057 1069182343 /nfs/dbraw/zinc/18/23/43/1069182343.db2.gz BLJUHMKNXIFMKQ-MLCQCVOFSA-N 0 0 478.549 0.621 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001186696062 1069182287 /nfs/dbraw/zinc/18/22/87/1069182287.db2.gz BRKBYZSUZFOKSR-FKBYEOEOSA-N 0 0 496.589 0.658 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001186696063 1069182269 /nfs/dbraw/zinc/18/22/69/1069182269.db2.gz BRKBYZSUZFOKSR-FSSWDIPSSA-N 0 0 496.589 0.658 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001186696065 1069182277 /nfs/dbraw/zinc/18/22/77/1069182277.db2.gz BVRGSGUUKKWXSP-FDFHNCONSA-N 0 0 491.548 0.068 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001186696066 1069182307 /nfs/dbraw/zinc/18/23/07/1069182307.db2.gz BVRGSGUUKKWXSP-FKBYEOEOSA-N 0 0 491.548 0.068 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(C(N)=O)CC1 ZINC001186696067 1069182261 /nfs/dbraw/zinc/18/22/61/1069182261.db2.gz BWXCFVARTMEOIW-PMACEKPBSA-N 0 0 461.522 0.489 20 30 JCEDRN CN1CCOC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696069 1069182298 /nfs/dbraw/zinc/18/22/98/1069182298.db2.gz BXTUYNLYWPDSFO-HJOGWXRNSA-N 0 0 491.592 0.802 20 30 JCEDRN CN1CCOC[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696070 1069182397 /nfs/dbraw/zinc/18/23/97/1069182397.db2.gz BXTUYNLYWPDSFO-SGNDLWITSA-N 0 0 491.592 0.802 20 30 JCEDRN COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696071 1069182340 /nfs/dbraw/zinc/18/23/40/1069182340.db2.gz BYDCESAIYVPLMU-PMACEKPBSA-N 0 0 450.495 0.644 20 30 JCEDRN COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N)[C@@H](C)O ZINC001186696084 1069182319 /nfs/dbraw/zinc/18/23/19/1069182319.db2.gz CNHSRTKJRDHKMF-NPWUYRIISA-N 0 0 494.548 0.394 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001186696113 1069182314 /nfs/dbraw/zinc/18/23/14/1069182314.db2.gz DUIDGLLOHPMONT-ACRUOGEOSA-N 0 0 489.532 0.276 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001186696195 1069182291 /nfs/dbraw/zinc/18/22/91/1069182291.db2.gz DUIDGLLOHPMONT-HKBOAZHASA-N 0 0 489.532 0.276 20 30 JCEDRN CCOC(=O)[C@@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696200 1069182390 /nfs/dbraw/zinc/18/23/90/1069182390.db2.gz DUTQNVAFSWPQLK-FDFHNCONSA-N 0 0 489.532 0.927 20 30 JCEDRN CCOC(=O)[C@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696203 1069182250 /nfs/dbraw/zinc/18/22/50/1069182250.db2.gz DUTQNVAFSWPQLK-FKBYEOEOSA-N 0 0 489.532 0.927 20 30 JCEDRN C=CC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696236 1069182407 /nfs/dbraw/zinc/18/24/07/1069182407.db2.gz FARZJMWXHNERRR-VXKWHMMOSA-N 0 0 475.549 0.773 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001186696244 1069182375 /nfs/dbraw/zinc/18/23/75/1069182375.db2.gz FCXXWVJYJVUWJS-NAVOZUGXSA-N 0 0 492.576 0.557 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001186696254 1069182351 /nfs/dbraw/zinc/18/23/51/1069182351.db2.gz FCXXWVJYJVUWJS-NEWJYFPISA-N 0 0 492.576 0.557 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001186696255 1069182329 /nfs/dbraw/zinc/18/23/29/1069182329.db2.gz FCXXWVJYJVUWJS-SBFWRKJZSA-N 0 0 492.576 0.557 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001186696256 1069182380 /nfs/dbraw/zinc/18/23/80/1069182380.db2.gz FCXXWVJYJVUWJS-ZJZGAYNASA-N 0 0 492.576 0.557 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001186696346 1069182841 /nfs/dbraw/zinc/18/28/41/1069182841.db2.gz FUTHVZPXSAZNNY-FKBYEOEOSA-N 0 0 475.549 0.607 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001186696349 1069182892 /nfs/dbraw/zinc/18/28/92/1069182892.db2.gz FUTHVZPXSAZNNY-FSSWDIPSSA-N 0 0 475.549 0.607 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001186696360 1069182879 /nfs/dbraw/zinc/18/28/79/1069182879.db2.gz GKBYUIKFCGQRHL-FSSWDIPSSA-N 0 0 475.549 0.689 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)C1 ZINC001186696385 1069182836 /nfs/dbraw/zinc/18/28/36/1069182836.db2.gz HEFXTYBJPQIAIS-HKBOAZHASA-N 0 0 462.506 0.787 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CCO ZINC001186696408 1069182863 /nfs/dbraw/zinc/18/28/63/1069182863.db2.gz IDPTZIOOQVOPAK-VXKWHMMOSA-N 0 0 464.522 0.423 20 30 JCEDRN CN1C[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC#N)CC1=O ZINC001186696426 1069182907 /nfs/dbraw/zinc/18/29/07/1069182907.db2.gz ITBXOGYMBKXYJV-VABKMULXSA-N 0 0 489.576 0.950 20 30 JCEDRN CN1C[C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC#N)CC1=O ZINC001186696427 1069182849 /nfs/dbraw/zinc/18/28/49/1069182849.db2.gz ITBXOGYMBKXYJV-VJBWXMMDSA-N 0 0 489.576 0.950 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC001186696432 1069182794 /nfs/dbraw/zinc/18/27/94/1069182794.db2.gz IWLPSWWOKKSANV-VXKWHMMOSA-N 0 0 496.589 0.612 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCNC[C@@H]1C#N ZINC001186696435 1069182931 /nfs/dbraw/zinc/18/29/31/1069182931.db2.gz IXMXPBKXSRVCLB-VABKMULXSA-N 0 0 472.549 0.679 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCNC[C@H]1C#N ZINC001186696436 1069182922 /nfs/dbraw/zinc/18/29/22/1069182922.db2.gz IXMXPBKXSRVCLB-VJBWXMMDSA-N 0 0 472.549 0.679 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCO)COC1 ZINC001186696446 1069182868 /nfs/dbraw/zinc/18/28/68/1069182868.db2.gz JLDVQQQSYAMDND-VXKWHMMOSA-N 0 0 478.549 0.623 20 30 JCEDRN CC(=O)N1CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC#N)C1 ZINC001186696455 1069182901 /nfs/dbraw/zinc/18/29/01/1069182901.db2.gz JUXFTCYGFKZMHX-GOTSBHOMSA-N 0 0 475.549 0.702 20 30 JCEDRN CN(C)C(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696467 1069182947 /nfs/dbraw/zinc/18/29/47/1069182947.db2.gz KGGLFSOIWYDXAS-VXKWHMMOSA-N 0 0 477.565 0.902 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001186696508 1069182812 /nfs/dbraw/zinc/18/28/12/1069182812.db2.gz LJICFCDYLZQDQC-CMOCDZPBSA-N 0 0 474.517 0.881 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCn2nncc2C1 ZINC001186696543 1069182830 /nfs/dbraw/zinc/18/28/30/1069182830.db2.gz MFTDQDQLDADPIO-GOTSBHOMSA-N 0 0 485.548 0.989 20 30 JCEDRN CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696725 1069182853 /nfs/dbraw/zinc/18/28/53/1069182853.db2.gz MSHQXQAFSFGASH-YYWHXJBOSA-N 0 0 463.538 0.606 20 30 JCEDRN C[C@@H]1C(=O)NCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696853 1069183661 /nfs/dbraw/zinc/18/36/61/1069183661.db2.gz OWYLWKDMEXGFLA-COPCDDAFSA-N 0 0 475.549 0.702 20 30 JCEDRN C[C@H]1C(=O)NCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696855 1069183670 /nfs/dbraw/zinc/18/36/70/1069183670.db2.gz OWYLWKDMEXGFLA-NYVOZVTQSA-N 0 0 475.549 0.702 20 30 JCEDRN CN(C[C@H](O)CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696858 1069183635 /nfs/dbraw/zinc/18/36/35/1069183635.db2.gz OXECGPXOCBNYMI-FKBYEOEOSA-N 0 0 466.538 0.167 20 30 JCEDRN CN(C[C@@H](O)CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696859 1069183626 /nfs/dbraw/zinc/18/36/26/1069183626.db2.gz OXECGPXOCBNYMI-FSSWDIPSSA-N 0 0 466.538 0.167 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(N)=O)CC1 ZINC001186696861 1069183649 /nfs/dbraw/zinc/18/36/49/1069183649.db2.gz OZDRVECEFXCAPO-VXKWHMMOSA-N 0 0 490.564 0.578 20 30 JCEDRN CNS(=O)(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696894 1069183630 /nfs/dbraw/zinc/18/36/30/1069183630.db2.gz PSRIHBSQAKKLLU-SFTDATJTSA-N 0 0 499.593 0.020 20 30 JCEDRN CNOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186696900 1069183580 /nfs/dbraw/zinc/18/35/80/1069183580.db2.gz PYCOMFYFMDUOBP-SFTDATJTSA-N 0 0 451.527 0.622 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCNC(=O)C1 ZINC001186696908 1069183589 /nfs/dbraw/zinc/18/35/89/1069183589.db2.gz QCWHFEURQLLWFR-VXKWHMMOSA-N 0 0 475.549 0.704 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1=CCOC1=O ZINC001186697154 1069183618 /nfs/dbraw/zinc/18/36/18/1069183618.db2.gz RBPCQAZPNLWFTK-SFTDATJTSA-N 0 0 460.490 0.912 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001186697183 1069183655 /nfs/dbraw/zinc/18/36/55/1069183655.db2.gz RMJHJHJFDXQJGQ-NAVOZUGXSA-N 0 0 492.576 0.557 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001186697185 1069183674 /nfs/dbraw/zinc/18/36/74/1069183674.db2.gz RMJHJHJFDXQJGQ-NEWJYFPISA-N 0 0 492.576 0.557 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001186697187 1069183658 /nfs/dbraw/zinc/18/36/58/1069183658.db2.gz RMJHJHJFDXQJGQ-SBFWRKJZSA-N 0 0 492.576 0.557 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001186697190 1069183609 /nfs/dbraw/zinc/18/36/09/1069183609.db2.gz RMJHJHJFDXQJGQ-ZJZGAYNASA-N 0 0 492.576 0.557 20 30 JCEDRN COC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186697273 1069183613 /nfs/dbraw/zinc/18/36/13/1069183613.db2.gz SGOWSKCXIRTGQV-ACRUOGEOSA-N 0 0 496.589 0.943 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001186697279 1069183666 /nfs/dbraw/zinc/18/36/66/1069183666.db2.gz SHCZTYFZYZDSMA-ACRUOGEOSA-N 0 0 477.521 0.580 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001186697280 1069183647 /nfs/dbraw/zinc/18/36/47/1069183647.db2.gz SHCZTYFZYZDSMA-HKBOAZHASA-N 0 0 477.521 0.580 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn[nH]n1 ZINC001186697307 1069183680 /nfs/dbraw/zinc/18/36/80/1069183680.db2.gz UKLVAKUJOVCHSL-SFTDATJTSA-N 0 0 459.510 0.790 20 30 JCEDRN CCC(CO)(CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186697308 1069184101 /nfs/dbraw/zinc/18/41/01/1069184101.db2.gz UKTIYCZLDUTLGF-VXKWHMMOSA-N 0 0 480.565 0.605 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001186697309 1069184178 /nfs/dbraw/zinc/18/41/78/1069184178.db2.gz UMEMJPIQXVJYNV-FKBYEOEOSA-N 0 0 494.573 0.782 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001186697310 1069184236 /nfs/dbraw/zinc/18/42/36/1069184236.db2.gz UMEMJPIQXVJYNV-FSSWDIPSSA-N 0 0 494.573 0.782 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)CF ZINC001186697334 1069184108 /nfs/dbraw/zinc/18/41/08/1069184108.db2.gz VMTGTCUFMOFJGT-ACRUOGEOSA-N 0 0 454.502 0.802 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)CF ZINC001186697335 1069184164 /nfs/dbraw/zinc/18/41/64/1069184164.db2.gz VMTGTCUFMOFJGT-HKBOAZHASA-N 0 0 454.502 0.802 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc[nH]n1 ZINC001186697336 1069184248 /nfs/dbraw/zinc/18/42/48/1069184248.db2.gz VMTPFBVXUVCIEE-PMACEKPBSA-N 0 0 459.510 0.790 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC(CO)(CO)C1 ZINC001186697369 1069184281 /nfs/dbraw/zinc/18/42/81/1069184281.db2.gz WOARHHUDCFDOSL-GOTSBHOMSA-N 0 0 492.576 0.605 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1OCCO1 ZINC001186697370 1069184211 /nfs/dbraw/zinc/18/42/11/1069184211.db2.gz WPXPINIRPKZMHK-SFTDATJTSA-N 0 0 464.522 0.844 20 30 JCEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001186697371 1069184046 /nfs/dbraw/zinc/18/40/46/1069184046.db2.gz WQINQNPFEADTHW-LUKWVAJMSA-N 0 0 478.549 0.309 20 30 JCEDRN CC(C)(CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N)C(N)=O ZINC001186697377 1069184224 /nfs/dbraw/zinc/18/42/24/1069184224.db2.gz XEOHDHGADLXHRA-SFTDATJTSA-N 0 0 477.565 0.983 20 30 JCEDRN CC1(C)C(=O)NC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186697673 1069184152 /nfs/dbraw/zinc/18/41/52/1069184152.db2.gz ZOHOVYBTRVWHCL-FDFHNCONSA-N 0 0 489.576 0.996 20 30 JCEDRN CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N ZINC001186697678 1069184193 /nfs/dbraw/zinc/18/41/93/1069184193.db2.gz ZOHOVYBTRVWHCL-FKBYEOEOSA-N 0 0 489.576 0.996 20 30 JCEDRN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001186698239 1069184917 /nfs/dbraw/zinc/18/49/17/1069184917.db2.gz MGEQXXJJBIGUCF-SFHVURJKSA-N 0 0 450.499 0.678 20 30 JCEDRN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001186698878 1069185549 /nfs/dbraw/zinc/18/55/49/1069185549.db2.gz HFRZZONZFQZYGT-INIZCTEOSA-N 0 0 451.487 0.303 20 30 JCEDRN CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001186718350 1069190487 /nfs/dbraw/zinc/19/04/87/1069190487.db2.gz XQADFXZVEHVAQZ-QZMQVMSPSA-N 0 0 457.531 0.855 20 30 JCEDRN CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001186718353 1069190607 /nfs/dbraw/zinc/19/06/07/1069190607.db2.gz XQADFXZVEHVAQZ-SEPYTNNBSA-N 0 0 457.531 0.855 20 30 JCEDRN C=CCc1c(F)c(F)c(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)c(F)c1F ZINC001186738241 1069189121 /nfs/dbraw/zinc/18/91/21/1069189121.db2.gz WRDYBHZQBFHVIQ-HZCQMJJPSA-N 0 0 458.368 0.402 20 30 JCEDRN CS(=O)(=O)c1cc(Br)ccc1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001186813556 1069202513 /nfs/dbraw/zinc/20/25/13/1069202513.db2.gz AFDMGDVUYMIDRQ-UHFFFAOYSA-N 0 0 451.306 0.837 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)C(=O)OCC ZINC001186891975 1069204118 /nfs/dbraw/zinc/20/41/18/1069204118.db2.gz OGZPIXPROVYXDN-RDBSUJKOSA-N 0 0 495.545 0.344 20 30 JCEDRN CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC001186901437 1069205890 /nfs/dbraw/zinc/20/58/90/1069205890.db2.gz ZICJTQDOVHXFLL-UHFFFAOYSA-N 0 0 456.546 0.593 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(S(=O)(=O)c4ccc5c(c4)CC(=O)N5)C3)OCC2=O)cc1 ZINC001186904511 1069206025 /nfs/dbraw/zinc/20/60/25/1069206025.db2.gz YUCDSBZQDOYQSW-HSZRJFAPSA-N 0 0 482.518 0.876 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(S(=O)(=O)c4ccc5c(c4)CC(=O)N5)C3)OCC2=O)cc1 ZINC001186904512 1069206427 /nfs/dbraw/zinc/20/64/27/1069206427.db2.gz YUCDSBZQDOYQSW-QHCPKHFHSA-N 0 0 482.518 0.876 20 30 JCEDRN COc1ccc(CN2C[C@H](C(=O)n3c(N)c(C#N)c(N)nc3=NC3CC3)CC2=O)c(OC)c1 ZINC001186946111 1069210811 /nfs/dbraw/zinc/21/08/11/1069210811.db2.gz HNBMKJPXHNZTGA-CYBMUJFWSA-N 0 0 451.487 0.688 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cccc(-n5cnnn5)c4)C3)OCC2=O)cc1 ZINC001186956870 1069211164 /nfs/dbraw/zinc/21/11/64/1069211164.db2.gz ARLGGLWFCZPPOC-HSZRJFAPSA-N 0 0 459.466 0.809 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cccc(-n5cnnn5)c4)C3)OCC2=O)cc1 ZINC001186956871 1069211236 /nfs/dbraw/zinc/21/12/36/1069211236.db2.gz ARLGGLWFCZPPOC-QHCPKHFHSA-N 0 0 459.466 0.809 20 30 JCEDRN N#C[C@H]1C[C@H]1C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001186969446 1069213225 /nfs/dbraw/zinc/21/32/25/1069213225.db2.gz GODNNOFLUOLEHP-OWRUSBMPSA-N 0 0 469.239 0.775 20 30 JCEDRN N#C[C@H]1C[C@H]1C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001186976986 1069213002 /nfs/dbraw/zinc/21/30/02/1069213002.db2.gz ICCUXBAPDIOUKP-XDNAFOTISA-N 0 0 459.501 0.595 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]1C#N)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001186984294 1069210916 /nfs/dbraw/zinc/21/09/16/1069210916.db2.gz BXTOBICXVUEJIY-YSHGAJCASA-N 0 0 472.546 0.115 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@@H]3C#N)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001186986236 1069210761 /nfs/dbraw/zinc/21/07/61/1069210761.db2.gz XHZUDTSWMCUKRM-ATZDWAIDSA-N 0 0 450.474 0.851 20 30 JCEDRN N#C[C@H]1C[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001186986520 1069210844 /nfs/dbraw/zinc/21/08/44/1069210844.db2.gz BSYHKIYCWHPPRC-NOTSUZNBSA-N 0 0 464.592 0.128 20 30 JCEDRN COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001187011680 1069213847 /nfs/dbraw/zinc/21/38/47/1069213847.db2.gz GLTDGRRQMRYOFT-UHFFFAOYSA-N 0 0 451.473 0.888 20 30 JCEDRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001187078159 1069218884 /nfs/dbraw/zinc/21/88/84/1069218884.db2.gz AMHDHIJNIBXGDY-ZIAGYGMSSA-N 0 0 459.507 0.669 20 30 JCEDRN COCC#CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001187123053 1069220383 /nfs/dbraw/zinc/22/03/83/1069220383.db2.gz JAUSQKFEAPJVAP-KBPBESRZSA-N 0 0 453.927 0.927 20 30 JCEDRN COCC#CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001187123054 1069220333 /nfs/dbraw/zinc/22/03/33/1069220333.db2.gz JAUSQKFEAPJVAP-KGLIPLIRSA-N 0 0 453.927 0.927 20 30 JCEDRN COCC#CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001187123055 1069220978 /nfs/dbraw/zinc/22/09/78/1069220978.db2.gz JAUSQKFEAPJVAP-UONOGXRCSA-N 0 0 453.927 0.927 20 30 JCEDRN COCC#CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001187123056 1069221110 /nfs/dbraw/zinc/22/11/10/1069221110.db2.gz JAUSQKFEAPJVAP-ZIAGYGMSSA-N 0 0 453.927 0.927 20 30 JCEDRN COCC#CC(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001187123368 1069220903 /nfs/dbraw/zinc/22/09/03/1069220903.db2.gz TVEUCWMJKTZPFC-NTZNESFSSA-N 0 0 472.239 0.265 20 30 JCEDRN COCC#CC(=O)N1CCC2(CC[C@@]3(C(=O)NCC(C)C)CN(S(C)(=O)=O)C[C@@H]23)CC1 ZINC001187125875 1069220990 /nfs/dbraw/zinc/22/09/90/1069220990.db2.gz WPUHSMFRILLMPM-PGRDOPGGSA-N 0 0 453.605 0.689 20 30 JCEDRN COCC#CC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001187128423 1069220843 /nfs/dbraw/zinc/22/08/43/1069220843.db2.gz OPJGFQMXMWZANG-ROUUACIJSA-N 0 0 462.501 0.086 20 30 JCEDRN COCC#CC(=O)Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001187131240 1069220885 /nfs/dbraw/zinc/22/08/85/1069220885.db2.gz DDZYLGWIHUWROQ-UHFFFAOYSA-N 0 0 476.747 0.912 20 30 JCEDRN COCC#CC(=O)N[C@H]1C[C@@H](N2Cc3cn(S(C)(=O)=O)nc3C2)CO[C@@H]1c1cc(F)ccc1F ZINC001187136130 1069221484 /nfs/dbraw/zinc/22/14/84/1069221484.db2.gz JJNHMMQAWSJBDQ-GTCCEBARSA-N 0 0 494.520 0.949 20 30 JCEDRN C[C@@H](C(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1)N1CCOCC1 ZINC001187165685 1069222799 /nfs/dbraw/zinc/22/27/99/1069222799.db2.gz DOYJTPHSABSCJM-FHWLQOOXSA-N 0 0 465.570 0.789 20 30 JCEDRN C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1)N1CCOCC1 ZINC001187178683 1069221466 /nfs/dbraw/zinc/22/14/66/1069221466.db2.gz LDUMAUFIAGUOEV-LAUBAEHRSA-N 0 0 498.559 0.412 20 30 JCEDRN CCOC(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001187235283 1069223801 /nfs/dbraw/zinc/22/38/01/1069223801.db2.gz RVMXSYJUEMEQIA-LJQANCHMSA-N 0 0 482.541 0.688 20 30 JCEDRN CCOCCS(=O)(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001187276113 1069224743 /nfs/dbraw/zinc/22/47/43/1069224743.db2.gz JXOBBYPBDAKOFS-IRXDYDNUSA-N 0 0 460.572 0.908 20 30 JCEDRN CCOCCS(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001187303234 1069229173 /nfs/dbraw/zinc/22/91/73/1069229173.db2.gz UJHFVBQMVABCQG-LJQANCHMSA-N 0 0 475.571 0.392 20 30 JCEDRN CCOCCS(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001187309290 1069230822 /nfs/dbraw/zinc/23/08/22/1069230822.db2.gz QJYXPFKCDAJCCC-LJQANCHMSA-N 0 0 493.561 0.531 20 30 JCEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)CC1 ZINC001187353525 1069232238 /nfs/dbraw/zinc/23/22/38/1069232238.db2.gz NACCGFGMDRTLQO-UHFFFAOYSA-N 0 0 450.536 0.508 20 30 JCEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC001187354585 1069232482 /nfs/dbraw/zinc/23/24/82/1069232482.db2.gz YEBYRRNVWWJBRQ-UHFFFAOYSA-N 0 0 459.322 0.803 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@@H]3CCC=N3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001187376529 1069231791 /nfs/dbraw/zinc/23/17/91/1069231791.db2.gz ARNHRNOCSMYGJY-MOPGFXCFSA-N 0 0 452.490 0.924 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)[C@H]3CCC=N3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001187376530 1069231760 /nfs/dbraw/zinc/23/17/60/1069231760.db2.gz ARNHRNOCSMYGJY-RTBURBONSA-N 0 0 452.490 0.924 20 30 JCEDRN Cc1oncc1S(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001187401129 1069232335 /nfs/dbraw/zinc/23/23/35/1069232335.db2.gz OJBLYRCIYSXJRU-GOSISDBHSA-N 0 0 484.538 0.711 20 30 JCEDRN C[C@@H]1O[C@@H](OCCNC(=O)CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O ZINC001187472340 1069235143 /nfs/dbraw/zinc/23/51/43/1069235143.db2.gz MJRUBNDZPVQMAJ-GBLAIEROSA-N 0 0 494.544 0.674 20 30 JCEDRN CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001187493459 1069238186 /nfs/dbraw/zinc/23/81/86/1069238186.db2.gz NBZUMNAHLBDFRF-HNNXBMFYSA-N 0 0 460.539 0.822 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)c1N1CCCC1 ZINC001187510509 1069235220 /nfs/dbraw/zinc/23/52/20/1069235220.db2.gz HNWIUZDCIVRDOJ-INIZCTEOSA-N 0 0 491.556 0.205 20 30 JCEDRN Cn1c(Br)c(C#N)c2c1nc(Cl)nc2NC(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187513722 1069236302 /nfs/dbraw/zinc/23/63/02/1069236302.db2.gz SJNXHTDTFJRBFL-ZETCQYMHSA-N 0 0 454.672 0.589 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)CNC(=O)[C@@H]4CCC(=O)N4)cc3)CC2)cc1 ZINC001187519388 1069239701 /nfs/dbraw/zinc/23/97/01/1069239701.db2.gz LPUIRENZDRIJBR-NRFANRHFSA-N 0 0 474.521 0.854 20 30 JCEDRN N#Cc1ccc(N2CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)N3)CC2)nc1 ZINC001187533662 1069243718 /nfs/dbraw/zinc/24/37/18/1069243718.db2.gz FNCNBUJUWIDNAV-SFTDATJTSA-N 0 0 460.538 0.998 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)C[C@H]1C#N ZINC001187534589 1069244243 /nfs/dbraw/zinc/24/42/43/1069244243.db2.gz PEMILUAFPODYKZ-QYZOEREBSA-N 0 0 469.542 0.964 20 30 JCEDRN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N[C@@H](C#N)C(N)=O)ccc1OCC)[nH]c2=O ZINC001187540395 1069245801 /nfs/dbraw/zinc/24/58/01/1069245801.db2.gz UCSRFXSNMDXWDA-AWEZNQCLSA-N 0 0 473.515 0.331 20 30 JCEDRN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N[C@H](C#N)C(N)=O)ccc1OCC)[nH]c2=O ZINC001187540401 1069245834 /nfs/dbraw/zinc/24/58/34/1069245834.db2.gz UCSRFXSNMDXWDA-CQSZACIVSA-N 0 0 473.515 0.331 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3ncc[nH]3)cn2n1 ZINC001187737859 1069254227 /nfs/dbraw/zinc/25/42/27/1069254227.db2.gz NVZWPKWOZKKTCJ-KRWDZBQOSA-N 0 0 477.529 0.926 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ncc[nH]3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001187742374 1069254892 /nfs/dbraw/zinc/25/48/92/1069254892.db2.gz IHCNVLBDCHUXFL-QGZVFWFLSA-N 0 0 451.462 0.728 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)c1c[nH]cn1 ZINC001187753761 1069254907 /nfs/dbraw/zinc/25/49/07/1069254907.db2.gz YIAMJDDUWAYCAE-GJZGRUSLSA-N 0 0 454.528 0.654 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)c3c[nH]cn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001187785824 1069255593 /nfs/dbraw/zinc/25/55/93/1069255593.db2.gz CFVQEZHJUSJYQI-QGZVFWFLSA-N 0 0 487.517 0.276 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)c3c[nH]cn3)C2)n(Cc2ccccc2C#N)c1=O ZINC001187786057 1069255558 /nfs/dbraw/zinc/25/55/58/1069255558.db2.gz NHVIRSGTAWQZOG-QGZVFWFLSA-N 0 0 469.527 0.137 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)c3nccs3)C2)n(Cc2ccccc2C#N)c1=O ZINC001187913524 1069257793 /nfs/dbraw/zinc/25/77/93/1069257793.db2.gz YVOQJSLCKDGRMO-QGZVFWFLSA-N 0 0 486.579 0.871 20 30 JCEDRN COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001187965733 1069261359 /nfs/dbraw/zinc/26/13/59/1069261359.db2.gz IHKKHPCQIVPSFJ-UHFFFAOYSA-N 0 0 455.436 0.937 20 30 JCEDRN CCCCCCCCS(=O)(=O)Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001188001470 1069262551 /nfs/dbraw/zinc/26/25/51/1069262551.db2.gz LQKQGQJAXVZOJQ-LSCFUAHRSA-N 0 0 475.593 0.829 20 30 JCEDRN CCCCCCCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001188027199 1069263113 /nfs/dbraw/zinc/26/31/13/1069263113.db2.gz DVEJLYIDGNMFDV-MNEFBYGVSA-N 0 0 457.593 0.934 20 30 JCEDRN CCCCCCCCS(=O)(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001188027837 1069263339 /nfs/dbraw/zinc/26/33/39/1069263339.db2.gz XOJYCBDKHCXLES-LPHOPBHVSA-N 0 0 484.619 0.689 20 30 JCEDRN CCCCCCCCS(=O)(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001188029341 1069263896 /nfs/dbraw/zinc/26/38/96/1069263896.db2.gz QBMBEXOMWPFSDO-MXHNKVEKSA-N 0 0 470.596 0.791 20 30 JCEDRN CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cc1 ZINC001188114153 1069265248 /nfs/dbraw/zinc/26/52/48/1069265248.db2.gz HOXDIJZBMJNCHC-HSZRJFAPSA-N 0 0 484.534 0.741 20 30 JCEDRN CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cc1 ZINC001188114154 1069265459 /nfs/dbraw/zinc/26/54/59/1069265459.db2.gz HOXDIJZBMJNCHC-QHCPKHFHSA-N 0 0 484.534 0.741 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1cc(C)cc(C)n1)C(=O)OCC ZINC001188149631 1069267664 /nfs/dbraw/zinc/26/76/64/1069267664.db2.gz OQTAZUVXEQDFJA-RDJZCZTQSA-N 0 0 496.586 0.234 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)C3CCC3)C2)n(Cc2ccccc2C#N)c1=O ZINC001188155505 1069267764 /nfs/dbraw/zinc/26/77/64/1069267764.db2.gz SCKAMCCGSXIMQM-GOSISDBHSA-N 0 0 457.556 0.908 20 30 JCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001188223030 1069269257 /nfs/dbraw/zinc/26/92/57/1069269257.db2.gz QLCOLCUXDPTNMP-HNNXBMFYSA-N 0 0 454.512 0.875 20 30 JCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001188223031 1069269229 /nfs/dbraw/zinc/26/92/29/1069269229.db2.gz QLCOLCUXDPTNMP-OAHLLOKOSA-N 0 0 454.512 0.875 20 30 JCEDRN COC(=O)CCS(=O)(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001188378647 1069273319 /nfs/dbraw/zinc/27/33/19/1069273319.db2.gz CHOHFBWIJDMUPA-HOTGVXAUSA-N 0 0 474.555 0.435 20 30 JCEDRN COC(=O)CCS(=O)(=O)N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC001188416973 1069273870 /nfs/dbraw/zinc/27/38/70/1069273870.db2.gz OLJYULJOILZAIV-ZRSPNQSSSA-N 0 0 465.572 0.682 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1=O ZINC001188424058 1069274918 /nfs/dbraw/zinc/27/49/18/1069274918.db2.gz ULGQNPBHNZYRSI-KRWDZBQOSA-N 0 0 459.547 0.041 20 30 JCEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1=O ZINC001188424059 1069274944 /nfs/dbraw/zinc/27/49/44/1069274944.db2.gz ULGQNPBHNZYRSI-QGZVFWFLSA-N 0 0 459.547 0.041 20 30 JCEDRN O=C[C@H](NS(=O)(=O)c1csc(C(F)(F)F)c1-c1ccccc1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001188477955 1069279048 /nfs/dbraw/zinc/27/90/48/1069279048.db2.gz HHUDKAKHOUDGHC-RBDSIQFVSA-N 0 0 469.459 0.355 20 30 JCEDRN C=CCN1CCN(C(C)C)C(=O)[C@]12CCN(S(=O)(=O)c1ccc(N3CCOCC3)nc1)C2 ZINC001188504378 1069281646 /nfs/dbraw/zinc/28/16/46/1069281646.db2.gz BCKIAQNCJYWDJF-JOCHJYFZSA-N 0 0 463.604 0.790 20 30 JCEDRN C=CCN1CCN(C(C)C)C(=O)[C@@]12CCN(S(=O)(=O)c1ccc(N3CCOCC3)nc1)C2 ZINC001188504381 1069281616 /nfs/dbraw/zinc/28/16/16/1069281616.db2.gz BCKIAQNCJYWDJF-QFIPXVFZSA-N 0 0 463.604 0.790 20 30 JCEDRN C=CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc(N2CCOCC2)nc1)C(=O)OCC=C ZINC001188548170 1069290143 /nfs/dbraw/zinc/29/01/43/1069290143.db2.gz SPAAPCUYGXSDBN-KRWDZBQOSA-N 0 0 453.517 0.804 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1c(C)cccc1O)C(=O)OCC ZINC001188658236 1069291385 /nfs/dbraw/zinc/29/13/85/1069291385.db2.gz CAAWJDBLKURBCP-GJZGRUSLSA-N 0 0 497.570 0.236 20 30 JCEDRN N#CCc1cccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001188667732 1069294300 /nfs/dbraw/zinc/29/43/00/1069294300.db2.gz MSCIMHWWZYXKQO-RBUKOAKNSA-N 0 0 453.524 0.916 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3cccnn3)cn2n1 ZINC001188670946 1069294105 /nfs/dbraw/zinc/29/41/05/1069294105.db2.gz BMDCZQVVMQLDGJ-SFHVURJKSA-N 0 0 489.540 0.993 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cccnn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001188678851 1069292275 /nfs/dbraw/zinc/29/22/75/1069292275.db2.gz HJINJDJGQWOINY-GOSISDBHSA-N 0 0 463.473 0.795 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cccc(CC#N)c1)C(N)=O ZINC001188689510 1069292911 /nfs/dbraw/zinc/29/29/11/1069292911.db2.gz UQLJRBZVGLWFQY-ROUUACIJSA-N 0 0 461.588 0.737 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3nc[nH]n3)cn2n1 ZINC001188691774 1069293613 /nfs/dbraw/zinc/29/36/13/1069293613.db2.gz WDDIXBXIZDYKCW-INIZCTEOSA-N 0 0 478.517 0.321 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3nnc[nH]3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001188698765 1069294181 /nfs/dbraw/zinc/29/41/81/1069294181.db2.gz AJIDUGLPAGWGCP-MRXNPFEDSA-N 0 0 452.450 0.123 20 30 JCEDRN N#Cc1ccc(-c2ccc(C(=O)N[C@H]3[C@H](n4ccc(N)nc4=O)O[C@H](CO)[C@H]3O)cc2)cc1F ZINC001188711135 1069293684 /nfs/dbraw/zinc/29/36/84/1069293684.db2.gz DSXOOEMDIGFHQV-JWUVWSEFSA-N 0 0 465.441 0.795 20 30 JCEDRN C#Cc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC)cc1 ZINC001188742574 1069295849 /nfs/dbraw/zinc/29/58/49/1069295849.db2.gz FOYJAOUEWZOQGZ-ROUUACIJSA-N 0 0 491.566 0.204 20 30 JCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccc(F)cc3C2=O)CC1 ZINC001188879065 1069299279 /nfs/dbraw/zinc/29/92/79/1069299279.db2.gz DXCPSXKYIOUNQO-UHFFFAOYSA-N 0 0 456.455 0.826 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)CC3CC3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001188994133 1069302305 /nfs/dbraw/zinc/30/23/05/1069302305.db2.gz DVUWBRHBSLDOJT-LJQANCHMSA-N 0 0 475.546 0.904 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)CC3CC3)C2)n(Cc2ccccc2C#N)c1=O ZINC001188994311 1069301918 /nfs/dbraw/zinc/30/19/18/1069301918.db2.gz JHMUPXSBFJBZLT-LJQANCHMSA-N 0 0 457.556 0.765 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1cc(C)[nH]c1C)C(=O)OCC ZINC001189005802 1069302728 /nfs/dbraw/zinc/30/27/28/1069302728.db2.gz AGYRFWUVVLMVLV-HOTGVXAUSA-N 0 0 484.575 0.167 20 30 JCEDRN COc1cc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c(OC)nn1 ZINC001189065158 1069303943 /nfs/dbraw/zinc/30/39/43/1069303943.db2.gz GFUJDZUKCMVMDC-JOCHJYFZSA-N 0 0 453.455 0.640 20 30 JCEDRN COc1cc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c(OC)nn1 ZINC001189065159 1069303721 /nfs/dbraw/zinc/30/37/21/1069303721.db2.gz GFUJDZUKCMVMDC-QFIPXVFZSA-N 0 0 453.455 0.640 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1c(C)cccc1C)C(=O)OCC ZINC001189066398 1069303758 /nfs/dbraw/zinc/30/37/58/1069303758.db2.gz VOSZRPPSVHJKRY-IRXDYDNUSA-N 0 0 495.598 0.839 20 30 JCEDRN COc1ccc(C#N)c(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001189073950 1069304782 /nfs/dbraw/zinc/30/47/82/1069304782.db2.gz GKCXYJUKOHWKCD-RBUKOAKNSA-N 0 0 469.523 0.730 20 30 JCEDRN COc1ccc(C#N)c(C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)c1 ZINC001189075860 1069304817 /nfs/dbraw/zinc/30/48/17/1069304817.db2.gz KUKRMNQZUUKXQK-JOCHJYFZSA-N 0 0 460.556 0.913 20 30 JCEDRN COc1ccc(C#N)c(C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)c1 ZINC001189075863 1069304608 /nfs/dbraw/zinc/30/46/08/1069304608.db2.gz KUKRMNQZUUKXQK-QFIPXVFZSA-N 0 0 460.556 0.913 20 30 JCEDRN COc1cc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc(OC)n1 ZINC001189087400 1069305535 /nfs/dbraw/zinc/30/55/35/1069305535.db2.gz CAZQQSNMPQJQOT-JOCHJYFZSA-N 0 0 453.455 0.640 20 30 JCEDRN COc1cc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc(OC)n1 ZINC001189087402 1069305361 /nfs/dbraw/zinc/30/53/61/1069305361.db2.gz CAZQQSNMPQJQOT-QFIPXVFZSA-N 0 0 453.455 0.640 20 30 JCEDRN COc1ccc(C#N)c(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)c1 ZINC001189096043 1069305974 /nfs/dbraw/zinc/30/59/74/1069305974.db2.gz QMNSYBMLYXBHHD-ROUUACIJSA-N 0 0 477.587 0.551 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cncnc3N)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001189120590 1069306176 /nfs/dbraw/zinc/30/61/76/1069306176.db2.gz CEPKYCIBLCWDEW-QGZVFWFLSA-N 0 0 478.488 0.377 20 30 JCEDRN CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(=N)n(C(=O)c1ccc(C#C[Si](C)(C)C)cc1)c2N ZINC001189162534 1069309092 /nfs/dbraw/zinc/30/90/92/1069309092.db2.gz FBNJXXHZOPYWLH-UVLLPENVSA-N 0 0 496.600 0.477 20 30 JCEDRN C[Si](C)(C)C#Cc1ccc(C(=O)Nc2ncnc3c2[nH]c(=O)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001189163951 1069306699 /nfs/dbraw/zinc/30/66/99/1069306699.db2.gz WXGSEIZVJYOABS-VGKBRBPRSA-N 0 0 483.557 0.625 20 30 JCEDRN COc1cc(OC)nc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)n1 ZINC001189222961 1069310162 /nfs/dbraw/zinc/31/01/62/1069310162.db2.gz DRWAFGABXWXHCX-JOCHJYFZSA-N 0 0 453.455 0.640 20 30 JCEDRN COc1cc(OC)nc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)n1 ZINC001189222962 1069310147 /nfs/dbraw/zinc/31/01/47/1069310147.db2.gz DRWAFGABXWXHCX-QFIPXVFZSA-N 0 0 453.455 0.640 20 30 JCEDRN Cc1nn(C)c(N2CCN(S(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)c1C#N ZINC001189272921 1069311767 /nfs/dbraw/zinc/31/17/67/1069311767.db2.gz OHYOUIFLKWMYSR-UHFFFAOYSA-N 0 0 456.528 0.738 20 30 JCEDRN Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)N(C)C)CC2)c1C#N ZINC001189273678 1069312267 /nfs/dbraw/zinc/31/22/67/1069312267.db2.gz XRKRWERPQLAMRE-UHFFFAOYSA-N 0 0 452.562 0.361 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3cn[nH]n3)cn2n1 ZINC001189343839 1069313300 /nfs/dbraw/zinc/31/33/00/1069313300.db2.gz RKRKGMKTCCTENX-INIZCTEOSA-N 0 0 478.517 0.321 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cn[nH]n3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001189352873 1069315342 /nfs/dbraw/zinc/31/53/42/1069315342.db2.gz WWSKQYVYCWXYHC-MRXNPFEDSA-N 0 0 452.450 0.123 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cnc(N5CCOCC5)nc4)C3)OCC2=O)cc1 ZINC001189384512 1069313912 /nfs/dbraw/zinc/31/39/12/1069313912.db2.gz KLHRCDARYBQFDO-DEOSSOPVSA-N 0 0 478.509 0.459 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cnc(N5CCOCC5)nc4)C3)OCC2=O)cc1 ZINC001189384513 1069313756 /nfs/dbraw/zinc/31/37/56/1069313756.db2.gz KLHRCDARYBQFDO-XMMPIXPASA-N 0 0 478.509 0.459 20 30 JCEDRN CCN(CC(=O)NCc1cccs1)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O ZINC001189391877 1069315395 /nfs/dbraw/zinc/31/53/95/1069315395.db2.gz OOMHGRLDPLBLFB-UHFFFAOYSA-N 0 0 457.556 0.779 20 30 JCEDRN CC(C)CCNC(=O)C1CCN(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CC1 ZINC001189391944 1069315431 /nfs/dbraw/zinc/31/54/31/1069315431.db2.gz RRWNAJAOCGRRJT-UHFFFAOYSA-N 0 0 457.575 0.953 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Nc1nccs1)C(=O)OCC ZINC001189413981 1069315781 /nfs/dbraw/zinc/31/57/81/1069315781.db2.gz GFPHWYDYUSRWBA-RYUDHWBXSA-N 0 0 489.576 0.070 20 30 JCEDRN Cn1c(C(=O)n2c(=N)c3c(N)nc(N4CCCC4)cc3c(C#N)c2N2CCCC2)cc(=O)n(C)c1=O ZINC001189421600 1069316510 /nfs/dbraw/zinc/31/65/10/1069316510.db2.gz CCJZIJWIKIITQZ-UHFFFAOYSA-N 0 0 489.540 0.256 20 30 JCEDRN Cn1c(Br)c(C#N)c2c1nc(Cl)nc2NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189422040 1069316473 /nfs/dbraw/zinc/31/64/73/1069316473.db2.gz ITUOLLKLPRRLHR-UHFFFAOYSA-N 0 0 452.656 0.906 20 30 JCEDRN Cn1nc(C(=O)n2c(=N)c3c(N)nc(N4CCCC4)cc3c(C#N)c2N2CCCC2)ccc1=O ZINC001189482968 1069319845 /nfs/dbraw/zinc/31/98/45/1069319845.db2.gz GIDDMSXVTLPFMH-UHFFFAOYSA-N 0 0 459.514 0.952 20 30 JCEDRN Cn1nc(C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)ccc1=O ZINC001189490328 1069318932 /nfs/dbraw/zinc/31/89/32/1069318932.db2.gz FPIUVYXRSQABHK-HOTGVXAUSA-N 0 0 460.510 0.476 20 30 JCEDRN Cn1nc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)ccc1=O ZINC001189498327 1069319016 /nfs/dbraw/zinc/31/90/16/1069319016.db2.gz NFHSLWGEMGCPKT-GOSISDBHSA-N 0 0 493.499 0.099 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3c[nH]c(=O)[nH]3)cn2n1 ZINC001189545556 1069320022 /nfs/dbraw/zinc/32/00/22/1069320022.db2.gz WBBUCXNUXMGIDS-INIZCTEOSA-N 0 0 493.528 0.632 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3c[nH]c(=O)[nH]3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001189550963 1069320543 /nfs/dbraw/zinc/32/05/43/1069320543.db2.gz CPHDPQTWODGWPP-MRXNPFEDSA-N 0 0 467.461 0.434 20 30 JCEDRN C=CCOCc1nn(C)c2c1CN(C(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC)CC2 ZINC001189556774 1069322390 /nfs/dbraw/zinc/32/23/90/1069322390.db2.gz QEOACRIGRLWWTR-UHFFFAOYSA-N 0 0 450.517 0.986 20 30 JCEDRN COc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1OC ZINC001189558995 1069323362 /nfs/dbraw/zinc/32/33/62/1069323362.db2.gz JCOWZAPTSCUACJ-GFCCVEGCSA-N 0 0 454.505 0.936 20 30 JCEDRN COC(=O)C1(NS(=O)(=O)c2cccc(Br)c2C#N)CCS(=O)(=O)CC1 ZINC001189623832 1069326958 /nfs/dbraw/zinc/32/69/58/1069326958.db2.gz NQKXBXDEBSPJGG-UHFFFAOYSA-N 0 0 451.320 0.719 20 30 JCEDRN COC(=O)C1(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCS(=O)(=O)CC1 ZINC001189630059 1069326918 /nfs/dbraw/zinc/32/69/18/1069326918.db2.gz RIPFVHKOIOSRFE-UHFFFAOYSA-N 0 0 451.320 0.719 20 30 JCEDRN Cn1ccc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)cc1=O ZINC001189650190 1069328600 /nfs/dbraw/zinc/32/86/00/1069328600.db2.gz SPCGCRBCWMUOSA-HXUWFJFHSA-N 0 0 492.511 0.704 20 30 JCEDRN N#Cc1c(Cl)c(F)cc(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)c1Cl ZINC001189855400 1069334984 /nfs/dbraw/zinc/33/49/84/1069334984.db2.gz LBEKWJAQTZSGAT-APGPQJPKSA-N 0 0 458.233 0.435 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3n[nH]c(C)n3)cn2n1 ZINC001189866604 1069333299 /nfs/dbraw/zinc/33/32/99/1069333299.db2.gz DPEIOBGIDPIFDK-KRWDZBQOSA-N 0 0 492.544 0.630 20 30 JCEDRN Cc1n[nH]c(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)n1 ZINC001189870375 1069333689 /nfs/dbraw/zinc/33/36/89/1069333689.db2.gz GTTNDVVRHONBCO-QGZVFWFLSA-N 0 0 466.477 0.431 20 30 JCEDRN CCOC(=O)CNC(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001189896598 1069338274 /nfs/dbraw/zinc/33/82/74/1069338274.db2.gz MQILFVQTTBSCDU-HOTGVXAUSA-N 0 0 453.515 0.815 20 30 JCEDRN Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(=O)n1C1CC1 ZINC001189922103 1069335400 /nfs/dbraw/zinc/33/54/00/1069335400.db2.gz OYXUVTWMHUIEFQ-UHFFFAOYSA-N 0 0 451.483 0.314 20 30 JCEDRN CCOC(=O)CNC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001189928423 1069337860 /nfs/dbraw/zinc/33/78/60/1069337860.db2.gz IFWIUYVCAUXVAI-GOSISDBHSA-N 0 0 486.504 0.437 20 30 JCEDRN CCOC(=O)CNC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001189928731 1069337993 /nfs/dbraw/zinc/33/79/93/1069337993.db2.gz NCOWMVMTXKVSLD-GOSISDBHSA-N 0 0 468.514 0.298 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)CCCF)C2)n(Cc2ccccc2C#N)c1=O ZINC001189932648 1069338830 /nfs/dbraw/zinc/33/88/30/1069338830.db2.gz BZIOYLVENPUWBZ-GOSISDBHSA-N 0 0 463.535 0.715 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)CCCF)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001189934043 1069339407 /nfs/dbraw/zinc/33/94/07/1069339407.db2.gz UGELQNJSAVTMGE-GOSISDBHSA-N 0 0 481.525 0.854 20 30 JCEDRN COc1nc(S(=O)(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccc1F ZINC001190078347 1069342622 /nfs/dbraw/zinc/34/26/22/1069342622.db2.gz SQYOTJJDSLSNMK-NRFANRHFSA-N 0 0 476.486 0.924 20 30 JCEDRN COc1nc(S(=O)(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccc1F ZINC001190078349 1069342574 /nfs/dbraw/zinc/34/25/74/1069342574.db2.gz SQYOTJJDSLSNMK-OAQYLSRUSA-N 0 0 476.486 0.924 20 30 JCEDRN N#Cc1cc2c(n(CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c1=O)CCC2 ZINC001190193401 1069346767 /nfs/dbraw/zinc/34/67/67/1069346767.db2.gz PCMHSCHBMIXYTN-UHFFFAOYSA-N 0 0 456.524 0.546 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cc(CN5CCOCC5)on4)C3)OCC2=O)cc1 ZINC001190200526 1069348767 /nfs/dbraw/zinc/34/87/67/1069348767.db2.gz WIMSHHWGZGRIKZ-DEOSSOPVSA-N 0 0 481.509 0.653 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cc(CN5CCOCC5)on4)C3)OCC2=O)cc1 ZINC001190200527 1069348750 /nfs/dbraw/zinc/34/87/50/1069348750.db2.gz WIMSHHWGZGRIKZ-XMMPIXPASA-N 0 0 481.509 0.653 20 30 JCEDRN C=C(C)Cc1ccc(C(=O)n2c(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4OC)c3nc2=N)cc1 ZINC001190217870 1069350284 /nfs/dbraw/zinc/35/02/84/1069350284.db2.gz YYRRXRVXKZZPDN-VGKBRBPRSA-N 0 0 454.487 0.367 20 30 JCEDRN N#C[C@@H]1CN(S(=O)(=O)NCC(=O)Nc2ccc(I)cc2)CCO1 ZINC001190245395 1069350827 /nfs/dbraw/zinc/35/08/27/1069350827.db2.gz CWUKUYSNHXNEFO-GFCCVEGCSA-N 0 0 450.258 0.288 20 30 JCEDRN N#C[C@H]1CN(S(=O)(=O)NCC(=O)Nc2ccc(I)cc2)CCO1 ZINC001190245396 1069350657 /nfs/dbraw/zinc/35/06/57/1069350657.db2.gz CWUKUYSNHXNEFO-LBPRGKRZSA-N 0 0 450.258 0.288 20 30 JCEDRN COC(=O)[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1)C(C)C ZINC001190262392 1069351282 /nfs/dbraw/zinc/35/12/82/1069351282.db2.gz UYBURIMBXMKXSS-KNQAVFIVSA-N 0 0 496.568 0.933 20 30 JCEDRN C=CCN1CCN(C)C2(CCN(C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)CC2)C1=O ZINC001190452150 1069360669 /nfs/dbraw/zinc/36/06/69/1069360669.db2.gz NHBPAKPOLOSHQF-KRWDZBQOSA-N 0 0 452.552 0.766 20 30 JCEDRN N#Cc1cccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1F ZINC001190535262 1069365345 /nfs/dbraw/zinc/36/53/45/1069365345.db2.gz BPGAZFICMRGENI-DLBZAZTESA-N 0 0 457.487 0.861 20 30 JCEDRN COC(=O)[C@H](C)NC(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001190538622 1069365017 /nfs/dbraw/zinc/36/50/17/1069365017.db2.gz PCPVQLGTNRAGAZ-JYJNAYRXSA-N 0 0 453.515 0.813 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cccc(C#N)c1F)C(N)=O ZINC001190554291 1069366390 /nfs/dbraw/zinc/36/63/90/1069366390.db2.gz CDJZYGBRQKANHV-HOTGVXAUSA-N 0 0 465.551 0.681 20 30 JCEDRN COC(=O)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001190567975 1069367419 /nfs/dbraw/zinc/36/74/19/1069367419.db2.gz MIBDRQHFIXTYCS-MAUKXSAKSA-N 0 0 468.514 0.296 20 30 JCEDRN CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC001190568443 1069367107 /nfs/dbraw/zinc/36/71/07/1069367107.db2.gz HSFWHNHBNAMBAM-UHFFFAOYSA-N 0 0 451.368 0.870 20 30 JCEDRN COC(=O)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001190568703 1069367097 /nfs/dbraw/zinc/36/70/97/1069367097.db2.gz WLGOGZNEVGAPSB-KBXCAEBGSA-N 0 0 486.504 0.436 20 30 JCEDRN CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC001190569889 1069367363 /nfs/dbraw/zinc/36/73/63/1069367363.db2.gz ZBRHHGZXFUJJEH-UHFFFAOYSA-N 0 0 451.368 0.870 20 30 JCEDRN N#Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)nc1 ZINC001190584344 1069368657 /nfs/dbraw/zinc/36/86/57/1069368657.db2.gz NBNFBKWHKMRVMS-CYFREDJKSA-N 0 0 461.526 0.961 20 30 JCEDRN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)c2ccc(C#N)cn2)cc1 ZINC001190601016 1069369180 /nfs/dbraw/zinc/36/91/80/1069369180.db2.gz ZCRBETOKLMIPNL-JWUVWSEFSA-N 0 0 491.460 0.438 20 30 JCEDRN CN(C)c1ncc2c(n1)[C@H]1CN(S(=O)(=O)c3cc(C#N)ccc3F)C[C@H]1S(=O)(=O)C2 ZINC001190624584 1069368809 /nfs/dbraw/zinc/36/88/09/1069368809.db2.gz HHSZMGLHNJOIAQ-XJKSGUPXSA-N 0 0 451.505 0.638 20 30 JCEDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(S(=O)(=O)c2cc(C#N)ccc2F)CC3)C1=O ZINC001190624594 1069368731 /nfs/dbraw/zinc/36/87/31/1069368731.db2.gz HSJAMZGXYSDZTH-FQEVSTJZSA-N 0 0 484.575 0.592 20 30 JCEDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(S(=O)(=O)c2cc(C#N)ccc2F)CC3)C1=O ZINC001190624595 1069368771 /nfs/dbraw/zinc/36/87/71/1069368771.db2.gz HSJAMZGXYSDZTH-HXUWFJFHSA-N 0 0 484.575 0.592 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001190625696 1069371541 /nfs/dbraw/zinc/37/15/41/1069371541.db2.gz ZFVHTUNROPSXHC-MAUKXSAKSA-N 0 0 493.542 0.409 20 30 JCEDRN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1cc(C#N)ccc1F)CCC2 ZINC001190630431 1069371213 /nfs/dbraw/zinc/37/12/13/1069371213.db2.gz JGLIPSVYCHJPPB-UHFFFAOYSA-N 0 0 485.501 0.512 20 30 JCEDRN CN(C)C(=O)CN1C[C@H]2CCN(S(=O)(=O)c3cc(C#N)ccc3F)CC[C@H]2S1(=O)=O ZINC001190630940 1069371469 /nfs/dbraw/zinc/37/14/69/1069371469.db2.gz CQTLKKVMVNUHHU-GDBMZVCRSA-N 0 0 458.537 0.200 20 30 JCEDRN Cn1cc(C(=O)NCc2cnc3n2CCN(S(=O)(=O)c2cc(C#N)ccc2F)CC3)cn1 ZINC001190631003 1069371549 /nfs/dbraw/zinc/37/15/49/1069371549.db2.gz PSJABDKDXPYEEP-UHFFFAOYSA-N 0 0 457.491 0.804 20 30 JCEDRN Cn1ccnc1C(=O)NCc1cnc2n1CCN(S(=O)(=O)c1cc(C#N)ccc1F)CC2 ZINC001190631042 1069371381 /nfs/dbraw/zinc/37/13/81/1069371381.db2.gz QBDPDLJUIFHFER-UHFFFAOYSA-N 0 0 457.491 0.804 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)c1 ZINC001190631310 1069371289 /nfs/dbraw/zinc/37/12/89/1069371289.db2.gz SVEQLYZRACJVDV-HNNXBMFYSA-N 0 0 455.475 0.935 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)c1 ZINC001190631311 1069371554 /nfs/dbraw/zinc/37/15/54/1069371554.db2.gz SVEQLYZRACJVDV-OAHLLOKOSA-N 0 0 455.475 0.935 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001190632336 1069371362 /nfs/dbraw/zinc/37/13/62/1069371362.db2.gz UMPZDJCZNIBXEV-IERDGZPVSA-N 0 0 475.502 0.856 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001190632345 1069371491 /nfs/dbraw/zinc/37/14/91/1069371491.db2.gz UMPZDJCZNIBXEV-KKSFZXQISA-N 0 0 475.502 0.856 20 30 JCEDRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(S(=O)(=O)c1cc(C#N)ccc1F)C2 ZINC001190632489 1069371168 /nfs/dbraw/zinc/37/11/68/1069371168.db2.gz XMYGVMRTZZTNFX-FQEVSTJZSA-N 0 0 460.491 0.459 20 30 JCEDRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(S(=O)(=O)c1cc(C#N)ccc1F)C2 ZINC001190632490 1069371504 /nfs/dbraw/zinc/37/15/04/1069371504.db2.gz XMYGVMRTZZTNFX-HXUWFJFHSA-N 0 0 460.491 0.459 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)c1 ZINC001190632518 1069371483 /nfs/dbraw/zinc/37/14/83/1069371483.db2.gz YRYLCBUXLFRIQH-LSTHTHJFSA-N 0 0 478.527 0.839 20 30 JCEDRN CN(C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(C#N)ccc3F)CC2)c2nonc21 ZINC001190642664 1069372313 /nfs/dbraw/zinc/37/23/13/1069372313.db2.gz LSPMRGVHHDRDIV-UHFFFAOYSA-N 0 0 494.530 0.995 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2cc(C#N)ccc2F)CC1 ZINC001190663293 1069370517 /nfs/dbraw/zinc/37/05/17/1069370517.db2.gz RTJVJAGBDMQZFY-UHFFFAOYSA-N 0 0 476.552 0.858 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1 ZINC001190668927 1069370684 /nfs/dbraw/zinc/37/06/84/1069370684.db2.gz CJTNBOYSXUSFMD-MPGHIAIKSA-N 0 0 469.564 0.818 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)NCCOCCOCCOCCOCCOCCO)c1 ZINC001190669312 1069371327 /nfs/dbraw/zinc/37/13/27/1069371327.db2.gz MYDIUDOJAALPKV-UHFFFAOYSA-N 0 0 464.512 0.051 20 30 JCEDRN N#Cc1ccc(F)c(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC001190669352 1069371528 /nfs/dbraw/zinc/37/15/28/1069371528.db2.gz OFBPLLMISDTDKZ-UHFFFAOYSA-N 0 0 452.533 0.982 20 30 JCEDRN COCCOCCOCCOCCOCCOCCNS(=O)(=O)c1cc(C#N)ccc1F ZINC001190677757 1069372702 /nfs/dbraw/zinc/37/27/02/1069372702.db2.gz WDVBIKFJUSJDEP-UHFFFAOYSA-N 0 0 478.539 0.705 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cc(C#N)ccc1F)C(N)=O ZINC001190682037 1069373676 /nfs/dbraw/zinc/37/36/76/1069373676.db2.gz SFPWHCXLRJMBJU-MJGOQNOKSA-N 0 0 462.503 0.919 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cncc(N5CCOCC5)n4)C3)OCC2=O)cc1 ZINC001190765731 1069376092 /nfs/dbraw/zinc/37/60/92/1069376092.db2.gz ZUIBHCGFIVUKAU-DEOSSOPVSA-N 0 0 478.509 0.459 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cncc(N5CCOCC5)n4)C3)OCC2=O)cc1 ZINC001190765737 1069376220 /nfs/dbraw/zinc/37/62/20/1069376220.db2.gz ZUIBHCGFIVUKAU-XMMPIXPASA-N 0 0 478.509 0.459 20 30 JCEDRN C=CCC1(S(=O)(=O)N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1 ZINC001190782734 1069378255 /nfs/dbraw/zinc/37/82/55/1069378255.db2.gz AMCQWUHUIXSAST-XLIONFOSSA-N 0 0 475.633 0.400 20 30 JCEDRN C=CCC1(S(=O)(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CC1 ZINC001190782834 1069378225 /nfs/dbraw/zinc/37/82/25/1069378225.db2.gz CDLHBZYAJNOQHV-JKSUJKDBSA-N 0 0 454.574 0.448 20 30 JCEDRN C=CCC1(S(=O)(=O)NCCOCCOCCOCCOCCOCCOCCOC)CC1 ZINC001190846025 1069380321 /nfs/dbraw/zinc/38/03/21/1069380321.db2.gz UGNOSAALGZPLNV-UHFFFAOYSA-N 0 0 483.624 0.761 20 30 JCEDRN C=CCC1(S(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)CC1 ZINC001190846524 1069380262 /nfs/dbraw/zinc/38/02/62/1069380262.db2.gz WNXPYRSADHQOKN-GJZGRUSLSA-N 0 0 462.638 0.269 20 30 JCEDRN CC[NH+]1CCN(Cc2ccc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cc2)CC1 ZINC001190869755 1069381735 /nfs/dbraw/zinc/38/17/35/1069381735.db2.gz FJLVEEAOXNFTJR-GOSISDBHSA-N 0 0 460.537 0.980 20 30 JCEDRN CC[NH+]1CCN(Cc2ccc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cc2)CC1 ZINC001190869756 1069381832 /nfs/dbraw/zinc/38/18/32/1069381832.db2.gz FJLVEEAOXNFTJR-SFHVURJKSA-N 0 0 460.537 0.980 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)c3ccncc3)C2)n(Cc2ccccc2C#N)c1=O ZINC001190915732 1069383369 /nfs/dbraw/zinc/38/33/69/1069383369.db2.gz BQTGRIAYHHHIFQ-LJQANCHMSA-N 0 0 480.550 0.809 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)c3ccncc3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001190916131 1069383661 /nfs/dbraw/zinc/38/36/61/1069383661.db2.gz JAEVDOLQRUPNAK-LJQANCHMSA-N 0 0 498.540 0.948 20 30 JCEDRN COCC(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1cc(C#N)ccc1Cl)CCC2 ZINC001190946924 1069383449 /nfs/dbraw/zinc/38/34/49/1069383449.db2.gz ATRRWCRGUXYCLF-UHFFFAOYSA-N 0 0 465.919 0.626 20 30 JCEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c1 ZINC001190947431 1069383749 /nfs/dbraw/zinc/38/37/49/1069383749.db2.gz FJUIQVWZAPNTQF-HDMKZQKVSA-N 0 0 487.987 0.494 20 30 JCEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c1 ZINC001190947433 1069383651 /nfs/dbraw/zinc/38/36/51/1069383651.db2.gz FJUIQVWZAPNTQF-IIDMSEBBSA-N 0 0 487.987 0.494 20 30 JCEDRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC001190948385 1069383498 /nfs/dbraw/zinc/38/34/98/1069383498.db2.gz NBCZPIWXTBWXES-FQEVSTJZSA-N 0 0 476.946 0.974 20 30 JCEDRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC001190948386 1069383727 /nfs/dbraw/zinc/38/37/27/1069383727.db2.gz NBCZPIWXTBWXES-HXUWFJFHSA-N 0 0 476.946 0.974 20 30 JCEDRN Cn1cc(N2C[C@@]3(COCCN(S(=O)(=O)c4cc(C#N)ccc4Cl)C3)OCC2=O)cn1 ZINC001190950730 1069385688 /nfs/dbraw/zinc/38/56/88/1069385688.db2.gz BMUJGAXTYQTDIQ-IBGZPJMESA-N 0 0 465.919 0.768 20 30 JCEDRN Cn1cc(N2C[C@]3(COCCN(S(=O)(=O)c4cc(C#N)ccc4Cl)C3)OCC2=O)cn1 ZINC001190950732 1069385526 /nfs/dbraw/zinc/38/55/26/1069385526.db2.gz BMUJGAXTYQTDIQ-LJQANCHMSA-N 0 0 465.919 0.768 20 30 JCEDRN CN(C)C(=O)CN1C[C@H]2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@H]2S1(=O)=O ZINC001190951188 1069385607 /nfs/dbraw/zinc/38/56/07/1069385607.db2.gz KIFPNRVRVLBYJS-GDBMZVCRSA-N 0 0 474.992 0.715 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)c2cccc(C(C)(C)C#N)c2)[C@H]1O ZINC001190957116 1069385962 /nfs/dbraw/zinc/38/59/62/1069385962.db2.gz QIYPLTIWYSUHSU-RPLGYBLPSA-N 0 0 465.514 0.743 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NCC(N)=O ZINC001190959427 1069384029 /nfs/dbraw/zinc/38/40/29/1069384029.db2.gz HUCXAVMPSNBLCH-HOTGVXAUSA-N 0 0 483.978 0.497 20 30 JCEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCCOCCOCCOCCOCCOCCO)c1 ZINC001190993605 1069385462 /nfs/dbraw/zinc/38/54/62/1069385462.db2.gz XMRYLSJLEWKAMX-UHFFFAOYSA-N 0 0 480.967 0.565 20 30 JCEDRN Cn1c(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)c[nH]c1=O ZINC001191002865 1069386049 /nfs/dbraw/zinc/38/60/49/1069386049.db2.gz QHCQPIPSPYLRHO-QGZVFWFLSA-N 0 0 481.488 0.444 20 30 JCEDRN COC(=O)[C@H](CCCCNS(=O)(=O)c1cc(C#N)ccc1Cl)NC(=O)CNC(C)=O ZINC001191004685 1069386075 /nfs/dbraw/zinc/38/60/75/1069386075.db2.gz GSNAAHPHHUAWOU-HNNXBMFYSA-N 0 0 458.924 0.454 20 30 JCEDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cc(C#N)ccc1Cl)C(N)=O ZINC001191005056 1069386173 /nfs/dbraw/zinc/38/61/73/1069386173.db2.gz IUKMWJBOGZKDCB-VOZBZGINSA-N 0 0 480.930 0.158 20 30 JCEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 ZINC001191005779 1069386111 /nfs/dbraw/zinc/38/61/11/1069386111.db2.gz SNJFEWHPNVHKOY-HOTGVXAUSA-N 0 0 450.904 0.064 20 30 JCEDRN C#Cc1ccccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001191128165 1069393951 /nfs/dbraw/zinc/39/39/51/1069393951.db2.gz FCEFHFXCRZHZDI-ROUUACIJSA-N 0 0 491.566 0.204 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1[nH]cc(C)c1C)C(=O)OCC ZINC001191165169 1069394589 /nfs/dbraw/zinc/39/45/89/1069394589.db2.gz BPYVIFTWVFXSBV-GJZGRUSLSA-N 0 0 484.575 0.167 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C#CC(C)(C)O)cc1)C(=O)NCC(N)=O ZINC001191167321 1069394705 /nfs/dbraw/zinc/39/47/05/1069394705.db2.gz IONHIAVYJNDYQX-PMACEKPBSA-N 0 0 470.570 0.546 20 30 JCEDRN CC(C)(O)C#Cc1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001191168284 1069395254 /nfs/dbraw/zinc/39/52/54/1069395254.db2.gz WJOHRIKLRFFZSL-LEWJYISDSA-N 0 0 496.589 0.972 20 30 JCEDRN CC(C)(O)C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1 ZINC001191168607 1069395295 /nfs/dbraw/zinc/39/52/95/1069395295.db2.gz ZOIVRZAURRWLMC-NJDAHSKKSA-N 0 0 474.579 0.543 20 30 JCEDRN CC(C)(O)C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1 ZINC001191168612 1069395021 /nfs/dbraw/zinc/39/50/21/1069395021.db2.gz ZOIVRZAURRWLMC-PWRODBHTSA-N 0 0 474.579 0.543 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cnc(=O)[nH]c3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001191181975 1069398100 /nfs/dbraw/zinc/39/81/00/1069398100.db2.gz AELHMIYPPXHTQW-GOSISDBHSA-N 0 0 479.472 0.500 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)c2ccc(C#CC(C)(C)O)cc2)[C@H]1O ZINC001191188486 1069397964 /nfs/dbraw/zinc/39/79/64/1069397964.db2.gz DVOVXBLGXRWTIW-ZLFGVDQTSA-N 0 0 480.525 0.064 20 30 JCEDRN C#CC[C@@H](NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1)C(=O)OC ZINC001191200920 1069396810 /nfs/dbraw/zinc/39/68/10/1069396810.db2.gz IRDLVCPNMDNYCI-GFCCVEGCSA-N 0 0 451.238 0.921 20 30 JCEDRN C#CC[C@H](NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1)C(=O)OC ZINC001191200921 1069396952 /nfs/dbraw/zinc/39/69/52/1069396952.db2.gz IRDLVCPNMDNYCI-LBPRGKRZSA-N 0 0 451.238 0.921 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Nc1ccccn1)C(=O)OCC ZINC001191365434 1069403819 /nfs/dbraw/zinc/40/38/19/1069403819.db2.gz JWWQEOZKHCRJHG-KBPBESRZSA-N 0 0 483.547 0.009 20 30 JCEDRN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@@H](O)CN1CCOCC1 ZINC001191477168 1069407394 /nfs/dbraw/zinc/40/73/94/1069407394.db2.gz VJEVTZFIAOANBI-MOPGFXCFSA-N 0 0 459.591 0.981 20 30 JCEDRN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@H](O)CN1CCOCC1 ZINC001191477169 1069408079 /nfs/dbraw/zinc/40/80/79/1069408079.db2.gz VJEVTZFIAOANBI-OALUTQOASA-N 0 0 459.591 0.981 20 30 JCEDRN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@H](O)CN1CCOCC1 ZINC001191477170 1069408131 /nfs/dbraw/zinc/40/81/31/1069408131.db2.gz VJEVTZFIAOANBI-RBUKOAKNSA-N 0 0 459.591 0.981 20 30 JCEDRN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@@H](O)CN1CCOCC1 ZINC001191477171 1069407983 /nfs/dbraw/zinc/40/79/83/1069407983.db2.gz VJEVTZFIAOANBI-RTBURBONSA-N 0 0 459.591 0.981 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(I)s2)CC1 ZINC001191501787 1069415341 /nfs/dbraw/zinc/41/53/41/1069415341.db2.gz AMAVCSHHUIWTLR-UHFFFAOYSA-N 0 0 453.327 0.408 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ncc[nH]c3=O)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001191517558 1069412708 /nfs/dbraw/zinc/41/27/08/1069412708.db2.gz RYIYNIGDHOMGLT-QGZVFWFLSA-N 0 0 479.472 0.088 20 30 JCEDRN N#Cc1cc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)ccn1 ZINC001191547776 1069419357 /nfs/dbraw/zinc/41/93/57/1069419357.db2.gz CVEMXLWVRQBONG-CYFREDJKSA-N 0 0 461.526 0.961 20 30 JCEDRN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)c2ccnc(C#N)c2)cc1 ZINC001191558795 1069419222 /nfs/dbraw/zinc/41/92/22/1069419222.db2.gz WMQLLHSTVNGUAX-JWUVWSEFSA-N 0 0 491.460 0.438 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cn[nH]c(=O)c3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001191576687 1069415158 /nfs/dbraw/zinc/41/51/58/1069415158.db2.gz WJDPBXGQDBCKSB-GOSISDBHSA-N 0 0 479.472 0.500 20 30 JCEDRN CNC(=O)c1ccc(S(=O)(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cc1 ZINC001191590101 1069416919 /nfs/dbraw/zinc/41/69/19/1069416919.db2.gz ZCFCMYSENCEIBM-HSZRJFAPSA-N 0 0 484.534 0.741 20 30 JCEDRN CNC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cc1 ZINC001191590102 1069416900 /nfs/dbraw/zinc/41/69/00/1069416900.db2.gz ZCFCMYSENCEIBM-QHCPKHFHSA-N 0 0 484.534 0.741 20 30 JCEDRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCOC[C@@H]1C#N ZINC001191627917 1069420645 /nfs/dbraw/zinc/42/06/45/1069420645.db2.gz ZNQMKKHHAKXOBP-INIZCTEOSA-N 0 0 452.533 0.658 20 30 JCEDRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCOC[C@H]1C#N ZINC001191627918 1069420663 /nfs/dbraw/zinc/42/06/63/1069420663.db2.gz ZNQMKKHHAKXOBP-MRXNPFEDSA-N 0 0 452.533 0.658 20 30 JCEDRN N#CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC001191673106 1069422719 /nfs/dbraw/zinc/42/27/19/1069422719.db2.gz UZEUPIDKLZCWKC-UHFFFAOYSA-N 0 0 450.542 0.743 20 30 JCEDRN N#Cc1ccc(NC(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1Cl ZINC001191753919 1069426899 /nfs/dbraw/zinc/42/68/99/1069426899.db2.gz PODDHYPFAXEARU-INIZCTEOSA-N 0 0 453.952 0.071 20 30 JCEDRN N#Cc1ccc(NC(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl ZINC001191753920 1069426945 /nfs/dbraw/zinc/42/69/45/1069426945.db2.gz PODDHYPFAXEARU-MRXNPFEDSA-N 0 0 453.952 0.071 20 30 JCEDRN N#Cc1cc(F)c(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c(F)c1 ZINC001191919995 1069432780 /nfs/dbraw/zinc/43/27/80/1069432780.db2.gz XWJAYJMDHNXOAP-WMLDXEAASA-N 0 0 475.477 1.000 20 30 JCEDRN N#Cc1cc(F)c(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c(F)c1 ZINC001191920084 1069432818 /nfs/dbraw/zinc/43/28/18/1069432818.db2.gz ZYJPRZLCOZNTOE-CKEIUWERSA-N 0 0 453.467 0.571 20 30 JCEDRN N#Cc1cc(F)c(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c(F)c1 ZINC001191920087 1069432620 /nfs/dbraw/zinc/43/26/20/1069432620.db2.gz ZYJPRZLCOZNTOE-JJRVBVJISA-N 0 0 453.467 0.571 20 30 JCEDRN N#Cc1cc(F)c(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c(F)c1 ZINC001191936401 1069433332 /nfs/dbraw/zinc/43/33/32/1069433332.db2.gz QTTXDGALPSRWBV-MVSUVFOUSA-N 0 0 452.435 0.981 20 30 JCEDRN N#Cc1cc(F)c(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)c(F)c1 ZINC001191936402 1069433287 /nfs/dbraw/zinc/43/32/87/1069433287.db2.gz QTTXDGALPSRWBV-RFSOPEBBSA-N 0 0 452.435 0.981 20 30 JCEDRN N#Cc1cc(F)c(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)c(F)c1 ZINC001191936403 1069433365 /nfs/dbraw/zinc/43/33/65/1069433365.db2.gz QTTXDGALPSRWBV-SNOHLBKASA-N 0 0 452.435 0.981 20 30 JCEDRN N#Cc1cc(F)c(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)c(F)c1 ZINC001191936404 1069434076 /nfs/dbraw/zinc/43/40/76/1069434076.db2.gz QTTXDGALPSRWBV-VTRWRZSMSA-N 0 0 452.435 0.981 20 30 JCEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC001191937577 1069434060 /nfs/dbraw/zinc/43/40/60/1069434060.db2.gz CGKXFWYMJAHJRN-IBGZPJMESA-N 0 0 458.588 0.445 20 30 JCEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC001191937578 1069434050 /nfs/dbraw/zinc/43/40/50/1069434050.db2.gz CGKXFWYMJAHJRN-LJQANCHMSA-N 0 0 458.588 0.445 20 30 JCEDRN Cn1c2cc(Br)c(S(=O)(=O)N3CCN(C(=O)CC#N)CC3)cc2n(C)c1=O ZINC001191943728 1069433980 /nfs/dbraw/zinc/43/39/80/1069433980.db2.gz OXYBHZAUSLDHOU-UHFFFAOYSA-N 0 0 456.322 0.386 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1c(F)cc(C#N)cc1F)C(N)=O ZINC001191951189 1069434521 /nfs/dbraw/zinc/43/45/21/1069434521.db2.gz YLGQFIPOZQCEFM-HOTGVXAUSA-N 0 0 483.541 0.820 20 30 JCEDRN CCN(C[C@@H](C)C#N)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001191978938 1069435640 /nfs/dbraw/zinc/43/56/40/1069435640.db2.gz ZALOGNJQUZWUSN-INIZCTEOSA-N 0 0 457.597 0.561 20 30 JCEDRN CCN(C[C@H](C)C#N)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001191978942 1069435878 /nfs/dbraw/zinc/43/58/78/1069435878.db2.gz ZALOGNJQUZWUSN-MRXNPFEDSA-N 0 0 457.597 0.561 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3noc(C)n3)cn2n1 ZINC001191995877 1069434685 /nfs/dbraw/zinc/43/46/85/1069434685.db2.gz ZVWWJVYDDHAUPP-KRWDZBQOSA-N 0 0 493.528 0.895 20 30 JCEDRN CCCCCCNC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001192000765 1069434568 /nfs/dbraw/zinc/43/45/68/1069434568.db2.gz RHCQOZDWQKEXJO-HOTGVXAUSA-N 0 0 490.623 0.672 20 30 JCEDRN Cc1nc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)no1 ZINC001192004057 1069435261 /nfs/dbraw/zinc/43/52/61/1069435261.db2.gz DJSVGGMEXYOJAX-QGZVFWFLSA-N 0 0 467.461 0.696 20 30 JCEDRN COCCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001192014476 1069436500 /nfs/dbraw/zinc/43/65/00/1069436500.db2.gz SDAMUUMNBOCXCV-MSOLQXFVSA-N 0 0 454.618 0.983 20 30 JCEDRN COCCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001192014483 1069436476 /nfs/dbraw/zinc/43/64/76/1069436476.db2.gz SDAMUUMNBOCXCV-QZTJIDSGSA-N 0 0 454.618 0.983 20 30 JCEDRN COCCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001192014485 1069436513 /nfs/dbraw/zinc/43/65/13/1069436513.db2.gz SDAMUUMNBOCXCV-ROUUACIJSA-N 0 0 454.618 0.983 20 30 JCEDRN COCCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001192014486 1069436455 /nfs/dbraw/zinc/43/64/55/1069436455.db2.gz SDAMUUMNBOCXCV-ZWKOTPCHSA-N 0 0 454.618 0.983 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3ncon3)cn2n1 ZINC001192018882 1069437067 /nfs/dbraw/zinc/43/70/67/1069437067.db2.gz KITXSMLGCJOGOV-INIZCTEOSA-N 0 0 479.501 0.586 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ncon3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001192027267 1069437042 /nfs/dbraw/zinc/43/70/42/1069437042.db2.gz ADZRXFVJBYZRJX-MRXNPFEDSA-N 0 0 453.434 0.388 20 30 JCEDRN COCCN(CCC#N)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001192190257 1069444797 /nfs/dbraw/zinc/44/47/97/1069444797.db2.gz QWHFZIYBMXXNCX-INIZCTEOSA-N 0 0 458.581 0.748 20 30 JCEDRN COCCN(CCC#N)S(=O)(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001192190258 1069444755 /nfs/dbraw/zinc/44/47/55/1069444755.db2.gz QWHFZIYBMXXNCX-MRXNPFEDSA-N 0 0 458.581 0.748 20 30 JCEDRN CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC001192222031 1069447473 /nfs/dbraw/zinc/44/74/73/1069447473.db2.gz SLRQAMFKQNFPMH-UHFFFAOYSA-N 0 0 455.331 0.573 20 30 JCEDRN COc1cc(C#N)ccc1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001192256830 1069447445 /nfs/dbraw/zinc/44/74/45/1069447445.db2.gz KSSKGQLFEHLJEL-PKOBYXMFSA-N 0 0 469.523 0.730 20 30 JCEDRN COc1cc(C#N)ccc1C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001192257813 1069447487 /nfs/dbraw/zinc/44/74/87/1069447487.db2.gz WZECRVSZZNKRIE-JOCHJYFZSA-N 0 0 460.556 0.913 20 30 JCEDRN COc1cc(C#N)ccc1C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001192257822 1069447642 /nfs/dbraw/zinc/44/76/42/1069447642.db2.gz WZECRVSZZNKRIE-QFIPXVFZSA-N 0 0 460.556 0.913 20 30 JCEDRN COc1cc(C#N)ccc1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001192281464 1069448725 /nfs/dbraw/zinc/44/87/25/1069448725.db2.gz VFVLEXJNBCCEJA-IRXDYDNUSA-N 0 0 477.587 0.551 20 30 JCEDRN Cc1ncc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1C#N ZINC001192284708 1069448746 /nfs/dbraw/zinc/44/87/46/1069448746.db2.gz DUSOUKYICBPHPF-ZWKOTPCHSA-N 0 0 454.512 0.425 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cnc(C)c(C#N)c1)C(N)=O ZINC001192301315 1069451439 /nfs/dbraw/zinc/45/14/39/1069451439.db2.gz MPNKNLTYBISGBQ-IRXDYDNUSA-N 0 0 462.576 0.246 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccn[nH]c3=O)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001192403482 1069454389 /nfs/dbraw/zinc/45/43/89/1069454389.db2.gz GYVFVMUVMLWSSM-QGZVFWFLSA-N 0 0 479.472 0.500 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1cc(C)n(C)c1C)C(=O)OCC ZINC001192448044 1069455167 /nfs/dbraw/zinc/45/51/67/1069455167.db2.gz QJYBHZGBAIANSC-IRXDYDNUSA-N 0 0 498.602 0.178 20 30 JCEDRN COC(=O)[C@@]1(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCc2cc(Br)ccc2C1 ZINC001192680332 1069464628 /nfs/dbraw/zinc/46/46/28/1069464628.db2.gz KSHNEFPEBMCRSI-DOTOQJQBSA-N 0 0 458.334 0.908 20 30 JCEDRN COC(=O)[C@@]1(NS(=O)(=O)N2CCO[C@H](C#N)C2)CCc2cc(Br)ccc2C1 ZINC001192680333 1069464738 /nfs/dbraw/zinc/46/47/38/1069464738.db2.gz KSHNEFPEBMCRSI-NVXWUHKLSA-N 0 0 458.334 0.908 20 30 JCEDRN COC(=O)[C@]1(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCc2cc(Br)ccc2C1 ZINC001192680334 1069464540 /nfs/dbraw/zinc/46/45/40/1069464540.db2.gz KSHNEFPEBMCRSI-RDJZCZTQSA-N 0 0 458.334 0.908 20 30 JCEDRN COC(=O)[C@]1(NS(=O)(=O)N2CCO[C@H](C#N)C2)CCc2cc(Br)ccc2C1 ZINC001192680335 1069464845 /nfs/dbraw/zinc/46/48/45/1069464845.db2.gz KSHNEFPEBMCRSI-WBVHZDCISA-N 0 0 458.334 0.908 20 30 JCEDRN N#Cc1ccc(C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(N)=O)o1 ZINC001192691144 1069465200 /nfs/dbraw/zinc/46/52/00/1069465200.db2.gz IYPFJHJRIQFKIX-MRHSLFKSSA-N 0 0 490.586 0.747 20 30 JCEDRN CC(C)[C@H](NC(=O)c1ccc(C#N)o1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001192691957 1069465235 /nfs/dbraw/zinc/46/52/35/1069465235.db2.gz JVAKWLALNBOGGX-ICSRJNTNSA-N 0 0 498.540 0.734 20 30 JCEDRN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)c2ccc(C#N)o2)cc1 ZINC001192691981 1069465271 /nfs/dbraw/zinc/46/52/71/1069465271.db2.gz KWUQMPTURKQWOL-XLBJILASSA-N 0 0 480.433 0.636 20 30 JCEDRN COC(=O)[C@]1(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)CCOC1 ZINC001192752438 1069473944 /nfs/dbraw/zinc/47/39/44/1069473944.db2.gz CRHGQALYIPRMKV-KRWDZBQOSA-N 0 0 458.334 0.959 20 30 JCEDRN COC(=O)[C@@]1(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)CCOC1 ZINC001192752514 1069473935 /nfs/dbraw/zinc/47/39/35/1069473935.db2.gz CRHGQALYIPRMKV-QGZVFWFLSA-N 0 0 458.334 0.959 20 30 JCEDRN COC(=O)[C@]1(N2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)CCOC1 ZINC001192754791 1069473917 /nfs/dbraw/zinc/47/39/17/1069473917.db2.gz RYGGDBDCBXQROU-KRWDZBQOSA-N 0 0 458.334 0.959 20 30 JCEDRN COC(=O)[C@@]1(N2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)CCOC1 ZINC001192754792 1069473849 /nfs/dbraw/zinc/47/38/49/1069473849.db2.gz RYGGDBDCBXQROU-QGZVFWFLSA-N 0 0 458.334 0.959 20 30 JCEDRN CS(=O)(=O)N1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(S(=O)(=O)CC#N)CC3 ZINC001192951821 1069477810 /nfs/dbraw/zinc/47/78/10/1069477810.db2.gz OBOJUCSYJQKRAA-QFBILLFUSA-N 0 0 458.606 0.216 20 30 JCEDRN CC(C)CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)CC#N)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001192952296 1069477586 /nfs/dbraw/zinc/47/75/86/1069477586.db2.gz VUVXBTGIYYKPLX-QFBILLFUSA-N 0 0 460.622 0.366 20 30 JCEDRN N#CCS(=O)(=O)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC001192965400 1069480692 /nfs/dbraw/zinc/48/06/92/1069480692.db2.gz DELYKZRFCKCYJS-KRWDZBQOSA-N 0 0 477.890 0.792 20 30 JCEDRN N#CCS(=O)(=O)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC001192965401 1069480698 /nfs/dbraw/zinc/48/06/98/1069480698.db2.gz DELYKZRFCKCYJS-QGZVFWFLSA-N 0 0 477.890 0.792 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)S(=O)(=O)CC#N)cn2n1 ZINC001192967411 1069480761 /nfs/dbraw/zinc/48/07/61/1069480761.db2.gz YRLPWNILCRPHIT-KRWDZBQOSA-N 0 0 486.558 0.216 20 30 JCEDRN CC(C)(C)OC(=O)N1C[C@@H](N2CCN(S(=O)(=O)CC#N)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001192967455 1069480686 /nfs/dbraw/zinc/48/06/86/1069480686.db2.gz YXMPFAOWADNROZ-HOTGVXAUSA-N 0 0 491.561 0.703 20 30 JCEDRN N#Cc1ccncc1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001192967834 1069480681 /nfs/dbraw/zinc/48/06/81/1069480681.db2.gz MJSIMFXXWMZQEP-CYFREDJKSA-N 0 0 461.526 0.961 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC001192974936 1069480721 /nfs/dbraw/zinc/48/07/21/1069480721.db2.gz BLHIZQYSBSXJHX-UHFFFAOYSA-N 0 0 451.549 0.897 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NCCS(C)(=O)=O)c(O)c2)cc1 ZINC001192984564 1069478914 /nfs/dbraw/zinc/47/89/14/1069478914.db2.gz DUTOQTSQHKWIQI-UHFFFAOYSA-N 0 0 470.525 0.819 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)Nc3c(N)c(=O)c3=O)c(O)c2)cc1 ZINC001192984603 1069478870 /nfs/dbraw/zinc/47/88/70/1069478870.db2.gz GIFNXEJQOLBVOS-UHFFFAOYSA-N 0 0 459.436 0.475 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1cccc(CC)c1)C(=O)OCC ZINC001192984708 1069478909 /nfs/dbraw/zinc/47/89/09/1069478909.db2.gz JXQGUHCAUQENTF-ROUUACIJSA-N 0 0 495.598 0.785 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CCN(C)C(=O)C3)c(O)c2)cc1 ZINC001192984785 1069478949 /nfs/dbraw/zinc/47/89/49/1069478949.db2.gz NCTVIIIJTLEAJL-UHFFFAOYSA-N 0 0 461.496 0.959 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N[C@H](CO)[C@@H](C)O)c(O)c2)cc1 ZINC001192984984 1069478841 /nfs/dbraw/zinc/47/88/41/1069478841.db2.gz XSEDWMILUBBUDH-CXAGYDPISA-N 0 0 452.485 0.516 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)c(O)c2)cc1 ZINC001192992410 1069478858 /nfs/dbraw/zinc/47/88/58/1069478858.db2.gz BFNIIVNBMXNOGN-UHFFFAOYSA-N 0 0 482.536 0.915 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@@H](C(N)=O)C3)c(O)c2)cc1 ZINC001192992434 1069479009 /nfs/dbraw/zinc/47/90/09/1069479009.db2.gz CDCFGDFTSOIDOT-CQSZACIVSA-N 0 0 461.496 0.992 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@H](CO)[C@H](O)C3)c(O)c2)cc1 ZINC001192992444 1069478993 /nfs/dbraw/zinc/47/89/93/1069478993.db2.gz CSHPNEUZHIMWDH-FOIQADDNSA-N 0 0 478.523 0.860 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@@H](CO)[C@H](O)C3)c(O)c2)cc1 ZINC001192992445 1069478883 /nfs/dbraw/zinc/47/88/83/1069478883.db2.gz CSHPNEUZHIMWDH-MGPUTAFESA-N 0 0 478.523 0.860 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)c(O)c2)cc1 ZINC001192992446 1069478938 /nfs/dbraw/zinc/47/89/38/1069478938.db2.gz CSHPNEUZHIMWDH-QRWLVFNGSA-N 0 0 478.523 0.860 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)c(O)c2)cc1 ZINC001192992447 1069478986 /nfs/dbraw/zinc/47/89/86/1069478986.db2.gz CSHPNEUZHIMWDH-YWZLYKJASA-N 0 0 478.523 0.860 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N[C@H]3COCC[C@@H]3O)c(O)c2)cc1 ZINC001192992498 1069479646 /nfs/dbraw/zinc/47/96/46/1069479646.db2.gz FKZPMBAIBMCMGK-ROUUACIJSA-N 0 0 464.496 0.924 20 30 JCEDRN CCC(CO)(CO)NC(=O)c1ccc(NC(=O)COS(=O)(=O)c2ccc(C)cc2)cc1O ZINC001192992555 1069479615 /nfs/dbraw/zinc/47/96/15/1069479615.db2.gz HOMSCGHTBFUZSA-UHFFFAOYSA-N 0 0 466.512 0.908 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC3CC(CO)(CO)C3)c(O)c2)cc1 ZINC001192992634 1069479504 /nfs/dbraw/zinc/47/95/04/1069479504.db2.gz KXRNJUHDFXHTJB-UHFFFAOYSA-N 0 0 478.523 0.908 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC(NS(C)(=O)=O)C3)c(O)c2)cc1 ZINC001192992643 1069479611 /nfs/dbraw/zinc/47/96/11/1069479611.db2.gz LDDZPEXEXCLGHE-UHFFFAOYSA-N 0 0 497.551 0.418 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@H](O)[C@@H](CO)C3)c(O)c2)cc1 ZINC001192992650 1069479525 /nfs/dbraw/zinc/47/95/25/1069479525.db2.gz LYBFPRTYVOFZCR-BEFAXECRSA-N 0 0 478.523 0.860 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@@H](O)[C@@H](CO)C3)c(O)c2)cc1 ZINC001192992651 1069479632 /nfs/dbraw/zinc/47/96/32/1069479632.db2.gz LYBFPRTYVOFZCR-DNVCBOLYSA-N 0 0 478.523 0.860 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@@H](O)[C@H](CO)C3)c(O)c2)cc1 ZINC001192992652 1069479516 /nfs/dbraw/zinc/47/95/16/1069479516.db2.gz LYBFPRTYVOFZCR-HNAYVOBHSA-N 0 0 478.523 0.860 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CC[C@H](O)[C@H](CO)C3)c(O)c2)cc1 ZINC001192992653 1069479622 /nfs/dbraw/zinc/47/96/22/1069479622.db2.gz LYBFPRTYVOFZCR-KXBFYZLASA-N 0 0 478.523 0.860 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC3CN(S(C)(=O)=O)C3)c(O)c2)cc1 ZINC001192992720 1069479585 /nfs/dbraw/zinc/47/95/85/1069479585.db2.gz OTLASRCWKCSEEX-UHFFFAOYSA-N 0 0 497.551 0.418 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N(C)C[C@H](O)CO)c(O)c2)cc1 ZINC001192992725 1069479627 /nfs/dbraw/zinc/47/96/27/1069479627.db2.gz PAZZHLQINVYZIM-HNNXBMFYSA-N 0 0 452.485 0.470 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N(C)C[C@@H](O)CO)c(O)c2)cc1 ZINC001192992726 1069479531 /nfs/dbraw/zinc/47/95/31/1069479531.db2.gz PAZZHLQINVYZIM-OAHLLOKOSA-N 0 0 452.485 0.470 20 30 JCEDRN COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)COS(=O)(=O)c2ccc(C)cc2)cc1O)[C@@H](C)O ZINC001192992729 1069479638 /nfs/dbraw/zinc/47/96/38/1069479638.db2.gz PDALTEBGFAXRKX-YJYMSZOUSA-N 0 0 480.495 0.697 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CCNC[C@@H]3C#N)c(O)c2)cc1 ZINC001192992752 1069479484 /nfs/dbraw/zinc/47/94/84/1069479484.db2.gz PVPFOUROSPRQOS-INIZCTEOSA-N 0 0 458.496 0.982 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CCNC[C@H]3C#N)c(O)c2)cc1 ZINC001192992753 1069479539 /nfs/dbraw/zinc/47/95/39/1069479539.db2.gz PVPFOUROSPRQOS-MRXNPFEDSA-N 0 0 458.496 0.982 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CCN(C(N)=O)CC3)c(O)c2)cc1 ZINC001192992771 1069479552 /nfs/dbraw/zinc/47/95/52/1069479552.db2.gz QSSQEBXMMSMEDN-UHFFFAOYSA-N 0 0 476.511 0.881 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)c(O)c2)cc1 ZINC001192992925 1069480175 /nfs/dbraw/zinc/48/01/75/1069480175.db2.gz SKHYXROXRCRQSX-HNNXBMFYSA-N 0 0 477.495 0.289 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)c(O)c2)cc1 ZINC001192992927 1069480078 /nfs/dbraw/zinc/48/00/78/1069480078.db2.gz SKHYXROXRCRQSX-OAHLLOKOSA-N 0 0 477.495 0.289 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(O)c2)cc1 ZINC001192992969 1069480067 /nfs/dbraw/zinc/48/00/67/1069480067.db2.gz TVTBNDXCKFYHBI-HNNXBMFYSA-N 0 0 482.536 0.962 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(O)c2)cc1 ZINC001192992976 1069480208 /nfs/dbraw/zinc/48/02/08/1069480208.db2.gz TVTBNDXCKFYHBI-OAHLLOKOSA-N 0 0 482.536 0.962 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CNC(=O)C3)c(O)c2)cc1 ZINC001192992987 1069480044 /nfs/dbraw/zinc/48/00/44/1069480044.db2.gz UCNADGCAXRKVKH-AWEZNQCLSA-N 0 0 461.496 0.911 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC[C@H]3CNC(=O)C3)c(O)c2)cc1 ZINC001192992989 1069480224 /nfs/dbraw/zinc/48/02/24/1069480224.db2.gz UCNADGCAXRKVKH-CQSZACIVSA-N 0 0 461.496 0.911 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)c(O)c2)cc1 ZINC001192993003 1069480194 /nfs/dbraw/zinc/48/01/94/1069480194.db2.gz UHUPUYKARONGCR-GOSISDBHSA-N 0 0 477.495 0.371 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)c(O)c2)cc1 ZINC001192993011 1069480126 /nfs/dbraw/zinc/48/01/26/1069480126.db2.gz UHUPUYKARONGCR-SFHVURJKSA-N 0 0 477.495 0.371 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NCCS(=O)(=O)N(C)C)c(O)c2)cc1 ZINC001192993015 1069480254 /nfs/dbraw/zinc/48/02/54/1069480254.db2.gz URGIWQFKLZPGEP-UHFFFAOYSA-N 0 0 499.567 0.666 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)c(O)c2)cc1 ZINC001192993025 1069480158 /nfs/dbraw/zinc/48/01/58/1069480158.db2.gz VCJDJNPHSZNQMM-INIZCTEOSA-N 0 0 475.479 0.580 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)c(O)c2)cc1 ZINC001192993026 1069480278 /nfs/dbraw/zinc/48/02/78/1069480278.db2.gz VCJDJNPHSZNQMM-MRXNPFEDSA-N 0 0 475.479 0.580 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC3(CCO)COC3)c(O)c2)cc1 ZINC001192993353 1069480010 /nfs/dbraw/zinc/48/00/10/1069480010.db2.gz YKAXTPWEPAEZHH-UHFFFAOYSA-N 0 0 464.496 0.926 20 30 JCEDRN CNS(=O)(=O)CCNC(=O)c1ccc(NC(=O)COS(=O)(=O)c2ccc(C)cc2)cc1O ZINC001192993415 1069480090 /nfs/dbraw/zinc/48/00/90/1069480090.db2.gz YXLSXRCLGFMHCP-UHFFFAOYSA-N 0 0 485.540 0.324 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)CC#N)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001192995746 1069480115 /nfs/dbraw/zinc/48/01/15/1069480115.db2.gz KVAJDKBHNUZCLK-QGZVFWFLSA-N 0 0 460.491 0.018 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3C[C@H](O)C[C@@H]3CO)c(O)c2)cc1 ZINC001192996471 1069480056 /nfs/dbraw/zinc/48/00/56/1069480056.db2.gz KUGNQIWXJJPCLY-HZPDHXFCSA-N 0 0 464.496 0.612 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC3CN(C4COC4)C3)c(O)c2)cc1 ZINC001192996505 1069480103 /nfs/dbraw/zinc/48/01/03/1069480103.db2.gz LKRUHMHYOWISPZ-UHFFFAOYSA-N 0 0 475.523 0.857 20 30 JCEDRN COC(=O)CNC(=O)CNC(=O)c1ccc(NC(=O)COS(=O)(=O)c2ccc(C)cc2)cc1O ZINC001192996549 1069480030 /nfs/dbraw/zinc/48/00/30/1069480030.db2.gz MECBTMHGQLOYCT-UHFFFAOYSA-N 0 0 493.494 0.064 20 30 JCEDRN CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCNS(=O)(=O)CC#N ZINC001192996796 1069480263 /nfs/dbraw/zinc/48/02/63/1069480263.db2.gz ZBTPQGPDHRQEDX-UHFFFAOYSA-N 0 0 483.584 0.037 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NCC(=O)CCO)c(O)c2)cc1 ZINC001192996905 1069480139 /nfs/dbraw/zinc/48/01/39/1069480139.db2.gz PQKJNBGAZCLDFC-UHFFFAOYSA-N 0 0 450.469 0.726 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC[C@H]3CNC(=O)O3)c(O)c2)cc1 ZINC001192997142 1069480708 /nfs/dbraw/zinc/48/07/08/1069480708.db2.gz UWAOAMGGGVFWSD-AWEZNQCLSA-N 0 0 463.468 0.883 20 30 JCEDRN Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CNC(=O)O3)c(O)c2)cc1 ZINC001192997143 1069480753 /nfs/dbraw/zinc/48/07/53/1069480753.db2.gz UWAOAMGGGVFWSD-CQSZACIVSA-N 0 0 463.468 0.883 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)CC#N)C(N)=O ZINC001193008172 1069480736 /nfs/dbraw/zinc/48/07/36/1069480736.db2.gz BVGXTUNOKDPYOA-ULQDDVLXSA-N 0 0 459.613 0.391 20 30 JCEDRN CCOC(=O)C(C)(C)S(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001193025019 1069483699 /nfs/dbraw/zinc/48/36/99/1069483699.db2.gz AMNCMVXIBMWBGW-NRFANRHFSA-N 0 0 465.528 0.664 20 30 JCEDRN CCOC(=O)C(C)(C)S(=O)(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001193025020 1069483706 /nfs/dbraw/zinc/48/37/06/1069483706.db2.gz AMNCMVXIBMWBGW-OAQYLSRUSA-N 0 0 465.528 0.664 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(S(C)(=O)=O)c4ccccc4C3)CC2)o1 ZINC001193045725 1069482544 /nfs/dbraw/zinc/48/25/44/1069482544.db2.gz XULSAZJWPIKROR-UHFFFAOYSA-N 0 0 458.544 0.785 20 30 JCEDRN CCCC[C@H](C)NC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001193089445 1069485301 /nfs/dbraw/zinc/48/53/01/1069485301.db2.gz MMPRGQIEKBKOMU-JYJNAYRXSA-N 0 0 490.623 0.670 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)N1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)Nc2ccccc2)CC1 ZINC001193119435 1069486527 /nfs/dbraw/zinc/48/65/27/1069486527.db2.gz YZICUDKCZIJINR-SUMDDJOVSA-N 0 0 454.574 0.983 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)N1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)Nc2ccccc2)CC1 ZINC001193119446 1069486535 /nfs/dbraw/zinc/48/65/35/1069486535.db2.gz YZICUDKCZIJINR-WDYCEAGBSA-N 0 0 454.574 0.983 20 30 JCEDRN CC(C)CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)[C@@H](C)C#N)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001193121409 1069486494 /nfs/dbraw/zinc/48/64/94/1069486494.db2.gz HMMMTSQCOSGRGF-ABSDTBQOSA-N 0 0 474.649 0.754 20 30 JCEDRN CC(C)CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)[C@H](C)C#N)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001193121410 1069486518 /nfs/dbraw/zinc/48/65/18/1069486518.db2.gz HMMMTSQCOSGRGF-FUHIMQAGSA-N 0 0 474.649 0.754 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)N1CCC2(CC[C@@]3(C(=O)N4CCCC4)CN(S(C)(=O)=O)C[C@@H]23)CC1 ZINC001193123965 1069486389 /nfs/dbraw/zinc/48/63/89/1069486389.db2.gz YHTROVUZILTMGT-ABSDTBQOSA-N 0 0 472.633 0.604 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)N1CCC2(CC[C@@]3(C(=O)N4CCCC4)CN(S(C)(=O)=O)C[C@@H]23)CC1 ZINC001193123966 1069486467 /nfs/dbraw/zinc/48/64/67/1069486467.db2.gz YHTROVUZILTMGT-FUHIMQAGSA-N 0 0 472.633 0.604 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N3CCC[C@H]3C#N)C(=O)c3cnnn3C)cn2n1 ZINC001193129139 1069487024 /nfs/dbraw/zinc/48/70/24/1069487024.db2.gz WQUBKPRRHVWMBL-KRWDZBQOSA-N 0 0 492.544 0.332 20 30 JCEDRN Cn1nncc1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001193137668 1069487555 /nfs/dbraw/zinc/48/75/55/1069487555.db2.gz PVGOSBRXAUJNAM-QGZVFWFLSA-N 0 0 466.477 0.133 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001193138903 1069487707 /nfs/dbraw/zinc/48/77/07/1069487707.db2.gz TZVGDEVACSGGSG-IKGGRYGDSA-N 0 0 483.545 0.151 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001193138904 1069487725 /nfs/dbraw/zinc/48/77/25/1069487725.db2.gz TZVGDEVACSGGSG-ULQDDVLXSA-N 0 0 483.545 0.151 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C ZINC001193168896 1069488978 /nfs/dbraw/zinc/48/89/78/1069488978.db2.gz NOVLYEVJYVBUGU-INIZCTEOSA-N 0 0 453.558 0.409 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C ZINC001193168897 1069489026 /nfs/dbraw/zinc/48/90/26/1069489026.db2.gz NOVLYEVJYVBUGU-MRXNPFEDSA-N 0 0 453.558 0.409 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)NCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C ZINC001193173762 1069487790 /nfs/dbraw/zinc/48/77/90/1069487790.db2.gz TUHJRERBJKSCDU-GOSISDBHSA-N 0 0 497.611 0.426 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)NCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C ZINC001193173763 1069487591 /nfs/dbraw/zinc/48/75/91/1069487591.db2.gz TUHJRERBJKSCDU-SFHVURJKSA-N 0 0 497.611 0.426 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001193173988 1069487779 /nfs/dbraw/zinc/48/77/79/1069487779.db2.gz WYWWMYPYGLAWDK-KBXCAEBGSA-N 0 0 474.518 0.406 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001193173994 1069487569 /nfs/dbraw/zinc/48/75/69/1069487569.db2.gz WYWWMYPYGLAWDK-RDTXWAMCSA-N 0 0 474.518 0.406 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001193174118 1069487586 /nfs/dbraw/zinc/48/75/86/1069487586.db2.gz YICPAWJNZZEFNA-CRAIPNDOSA-N 0 0 456.528 0.267 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001193174119 1069487668 /nfs/dbraw/zinc/48/76/68/1069487668.db2.gz YICPAWJNZZEFNA-MAUKXSAKSA-N 0 0 456.528 0.267 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)[C@H](C)C#N)C(N)=O ZINC001193192903 1069488817 /nfs/dbraw/zinc/48/88/17/1069488817.db2.gz HDLUMZZWKSVJDN-OWSLCNJRSA-N 0 0 473.640 0.780 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)[C@@H](C)C#N)C(N)=O ZINC001193192906 1069488771 /nfs/dbraw/zinc/48/87/71/1069488771.db2.gz HDLUMZZWKSVJDN-XSLAGTTESA-N 0 0 473.640 0.780 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001193194308 1069488866 /nfs/dbraw/zinc/48/88/66/1069488866.db2.gz QAYBDKCCEKYNFQ-AGRHKRQWSA-N 0 0 460.512 0.053 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001193194319 1069488997 /nfs/dbraw/zinc/48/89/97/1069488997.db2.gz QAYBDKCCEKYNFQ-VMDGZTHMSA-N 0 0 460.512 0.053 20 30 JCEDRN C[C@@H](C#N)S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC001193194928 1069488830 /nfs/dbraw/zinc/48/88/30/1069488830.db2.gz WQQNRWSGZRKUDV-GKCIPKSASA-N 0 0 456.524 0.574 20 30 JCEDRN C[C@H](C#N)S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC001193194931 1069488837 /nfs/dbraw/zinc/48/88/37/1069488837.db2.gz WQQNRWSGZRKUDV-UAOJZALGSA-N 0 0 456.524 0.574 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)C[C@@H]3CCCO3)C2)n(Cc2ccccc2C#N)c1=O ZINC001193287344 1069496178 /nfs/dbraw/zinc/49/61/78/1069496178.db2.gz AUHPNZDAMAYCOM-UXHICEINSA-N 0 0 487.582 0.534 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)C[C@H]3CCCO3)C2)n(Cc2ccccc2C#N)c1=O ZINC001193287347 1069496120 /nfs/dbraw/zinc/49/61/20/1069496120.db2.gz AUHPNZDAMAYCOM-WOJBJXKFSA-N 0 0 487.582 0.534 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccc(CO)cn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001193324185 1069497445 /nfs/dbraw/zinc/49/74/45/1069497445.db2.gz VWXWBXIWWFBTJE-HXUWFJFHSA-N 0 0 492.511 0.892 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cccc(OCCO)c4O)C3)OCC2=O)cc1 ZINC001193335581 1069498688 /nfs/dbraw/zinc/49/86/88/1069498688.db2.gz WLHOAGVMNFYIPE-DEOSSOPVSA-N 0 0 467.478 0.910 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cccc(OCCO)c4O)C3)OCC2=O)cc1 ZINC001193335584 1069498577 /nfs/dbraw/zinc/49/85/77/1069498577.db2.gz WLHOAGVMNFYIPE-XMMPIXPASA-N 0 0 467.478 0.910 20 30 JCEDRN C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC001193351173 1069498596 /nfs/dbraw/zinc/49/85/96/1069498596.db2.gz IMTQVWWHRVTTMV-LLVKDONJSA-N 0 0 450.306 0.539 20 30 JCEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC001193351177 1069498655 /nfs/dbraw/zinc/49/86/55/1069498655.db2.gz IMTQVWWHRVTTMV-NSHDSACASA-N 0 0 450.306 0.539 20 30 JCEDRN CCCCCNC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001193358654 1069499133 /nfs/dbraw/zinc/49/91/33/1069499133.db2.gz LYPTVKOXFJIJSC-GJZGRUSLSA-N 0 0 476.596 0.282 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1c(C)c[nH]c1C)C(=O)OCC ZINC001193368810 1069499722 /nfs/dbraw/zinc/49/97/22/1069499722.db2.gz HDIGCXHXQZQGOW-GJZGRUSLSA-N 0 0 484.575 0.167 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1ccsc1C)C(=O)OCC ZINC001193387822 1069500307 /nfs/dbraw/zinc/50/03/07/1069500307.db2.gz KUANBNKWOSFJDO-GJZGRUSLSA-N 0 0 487.600 0.592 20 30 JCEDRN COCCOC(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001193433436 1069504994 /nfs/dbraw/zinc/50/49/94/1069504994.db2.gz NELDTZZXIUQPQA-GOSISDBHSA-N 0 0 459.478 0.947 20 30 JCEDRN Cc1nn(C)c(N2CCN(CC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2)c1C#N ZINC001193497586 1069506115 /nfs/dbraw/zinc/50/61/15/1069506115.db2.gz RZXMEVIRGCOCMV-UHFFFAOYSA-N 0 0 459.576 0.920 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc([O-])c(C#N)c1)C(N)=O ZINC001193518860 1069507534 /nfs/dbraw/zinc/50/75/34/1069507534.db2.gz ILUWLAYVDJPSMY-BJLQDIEVSA-N 0 0 486.573 0.108 20 30 JCEDRN N#Cc1ccc(I)cc1C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001193574364 1069508401 /nfs/dbraw/zinc/50/84/01/1069508401.db2.gz QIUABLVYWQWENV-UHFFFAOYSA-N 0 0 479.238 0.426 20 30 JCEDRN CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1cc(I)ccc1C#N)C2 ZINC001193578543 1069508623 /nfs/dbraw/zinc/50/86/23/1069508623.db2.gz XEPRMFJNOLRDAF-KRWDZBQOSA-N 0 0 452.252 0.726 20 30 JCEDRN CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1cc(I)ccc1C#N)C2 ZINC001193578544 1069508448 /nfs/dbraw/zinc/50/84/48/1069508448.db2.gz XEPRMFJNOLRDAF-QGZVFWFLSA-N 0 0 452.252 0.726 20 30 JCEDRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(I)ccc1C#N)C2 ZINC001193579998 1069508569 /nfs/dbraw/zinc/50/85/69/1069508569.db2.gz BKIDEGFRSMBAHX-CYBMUJFWSA-N 0 0 474.276 0.965 20 30 JCEDRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(I)ccc1C#N)C2 ZINC001193580007 1069508617 /nfs/dbraw/zinc/50/86/17/1069508617.db2.gz BKIDEGFRSMBAHX-ZDUSSCGKSA-N 0 0 474.276 0.965 20 30 JCEDRN Cn1ccnc1S(=O)(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001193588156 1069509680 /nfs/dbraw/zinc/50/96/80/1069509680.db2.gz FJZUVCFOLDSCDW-HOTGVXAUSA-N 0 0 468.555 0.664 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OC1CCCC1)C(=O)OCC ZINC001193589459 1069509752 /nfs/dbraw/zinc/50/97/52/1069509752.db2.gz DKJLWLFTXGSIHB-GJZGRUSLSA-N 0 0 475.564 0.461 20 30 JCEDRN Cc1cn([C@H]2C[C@H](NC(=O)c3cc(I)ccc3C#N)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001193591853 1069510435 /nfs/dbraw/zinc/51/04/35/1069510435.db2.gz YEPGANQEKWQSGY-RRFJBIMHSA-N 0 0 496.261 0.812 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1ncccc1C(N)=O ZINC001193607366 1069510219 /nfs/dbraw/zinc/51/02/19/1069510219.db2.gz HEXKQSPCDXKQKX-HOTGVXAUSA-N 0 0 472.521 0.876 20 30 JCEDRN Cn1ccnc1S(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001193620632 1069510852 /nfs/dbraw/zinc/51/08/52/1069510852.db2.gz YKYGJSBQGGKRGO-GOSISDBHSA-N 0 0 483.554 0.148 20 30 JCEDRN Cn1ccnc1S(=O)(=O)N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC001193628317 1069511337 /nfs/dbraw/zinc/51/13/37/1069511337.db2.gz RMRWAXXYVFHWCZ-IPEXQHFPSA-N 0 0 459.572 0.911 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)c1 ZINC001193655683 1069512543 /nfs/dbraw/zinc/51/25/43/1069512543.db2.gz AXNIWQHYYWDYDD-NRFANRHFSA-N 0 0 496.611 0.461 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)c1 ZINC001193655684 1069512559 /nfs/dbraw/zinc/51/25/59/1069512559.db2.gz AXNIWQHYYWDYDD-OAQYLSRUSA-N 0 0 496.611 0.461 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c1 ZINC001193655703 1069512394 /nfs/dbraw/zinc/51/23/94/1069512394.db2.gz BMTRQZMJOQNIAG-UHFFFAOYSA-N 0 0 458.544 0.435 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)c1 ZINC001193655734 1069512554 /nfs/dbraw/zinc/51/25/54/1069512554.db2.gz DBHYPEXJFKHXPZ-CVAIRZPRSA-N 0 0 457.512 0.955 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2C[C@@H]3c4nc(N(C)C)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001193655965 1069512426 /nfs/dbraw/zinc/51/24/26/1069512426.db2.gz GNNJEXDNOYXFEA-DOTOQJQBSA-N 0 0 463.541 0.508 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCCn3c(=O)cc(CNC(=O)C(C)C)nc3C2)c1 ZINC001193656055 1069512360 /nfs/dbraw/zinc/51/23/60/1069512360.db2.gz HZQOBFDLYYICTA-UHFFFAOYSA-N 0 0 459.528 0.990 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)c1 ZINC001193657115 1069512565 /nfs/dbraw/zinc/51/25/65/1069512565.db2.gz XVJBJWAOPVPIAL-UHFFFAOYSA-N 0 0 474.543 0.892 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OC1CCCCC1)C(=O)OCC ZINC001193659826 1069512532 /nfs/dbraw/zinc/51/25/32/1069512532.db2.gz JAIPTHONPDTXSH-HOTGVXAUSA-N 0 0 489.591 0.851 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cccc(C#N)c1[O-])C(N)=O ZINC001193660371 1069512460 /nfs/dbraw/zinc/51/24/60/1069512460.db2.gz XUTVQIFVRJWOKG-FHWLQOOXSA-N 0 0 486.573 0.108 20 30 JCEDRN CNC(=O)[C@]12CN(S(=O)(=O)c3cc(OC)ccc3C#N)C[C@H]1N(c1ncccn1)CCC2 ZINC001193664487 1069513008 /nfs/dbraw/zinc/51/30/08/1069513008.db2.gz AUIJJLIKCSKVAI-WIYYLYMNSA-N 0 0 456.528 0.763 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)c1 ZINC001193664713 1069513093 /nfs/dbraw/zinc/51/30/93/1069513093.db2.gz DFLYWMSQXXXNGH-JOCHJYFZSA-N 0 0 469.523 0.990 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)c1 ZINC001193664715 1069513055 /nfs/dbraw/zinc/51/30/55/1069513055.db2.gz DFLYWMSQXXXNGH-QFIPXVFZSA-N 0 0 469.523 0.990 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)c1 ZINC001193664881 1069513069 /nfs/dbraw/zinc/51/30/69/1069513069.db2.gz HNBXWSILVJYYPV-YTQUADARSA-N 0 0 457.512 0.812 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCCn3c(=O)cc(CNC(=O)N(C)C)nc3C2)c1 ZINC001193664890 1069513045 /nfs/dbraw/zinc/51/30/45/1069513045.db2.gz HZZGYLNHGPQIIS-UHFFFAOYSA-N 0 0 460.516 0.489 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)c1 ZINC001193664998 1069512925 /nfs/dbraw/zinc/51/29/25/1069512925.db2.gz IDIWLQSORWHADW-NRFANRHFSA-N 0 0 472.527 0.329 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)c1 ZINC001193665000 1069513017 /nfs/dbraw/zinc/51/30/17/1069513017.db2.gz IDIWLQSORWHADW-OAQYLSRUSA-N 0 0 472.527 0.329 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)c1 ZINC001193665004 1069512959 /nfs/dbraw/zinc/51/29/59/1069512959.db2.gz IHRNKHOYWZWJCI-GOSISDBHSA-N 0 0 475.571 0.937 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)c1 ZINC001193665005 1069513089 /nfs/dbraw/zinc/51/30/89/1069513089.db2.gz IHRNKHOYWZWJCI-SFHVURJKSA-N 0 0 475.571 0.937 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2C[C@H]3C[C@H]4[C@@](CN(CC(C)C)S4(=O)=O)(C2)O3)c1 ZINC001193665141 1069512994 /nfs/dbraw/zinc/51/29/94/1069512994.db2.gz KEVAHBOFTRQGNA-NZSAHSFTSA-N 0 0 455.558 0.769 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCCn3c(=O)cc(CNC(=O)C4CC4)nc3C2)c1 ZINC001193665208 1069513020 /nfs/dbraw/zinc/51/30/20/1069513020.db2.gz MITDMOLJGAWWRA-UHFFFAOYSA-N 0 0 457.512 0.744 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)c1 ZINC001193665268 1069512980 /nfs/dbraw/zinc/51/29/80/1069512980.db2.gz NDPJMJRFDLRYDL-YTQUADARSA-N 0 0 459.528 0.756 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)c1 ZINC001193665394 1069513034 /nfs/dbraw/zinc/51/30/34/1069513034.db2.gz PLWSTOLAYNASMW-HLAWJBBLSA-N 0 0 490.563 0.708 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1 ZINC001193665441 1069513074 /nfs/dbraw/zinc/51/30/74/1069513074.db2.gz QZDRLUAKEKATEC-UHFFFAOYSA-N 0 0 450.561 0.758 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)c1 ZINC001193665603 1069513028 /nfs/dbraw/zinc/51/30/28/1069513028.db2.gz VLYKDXGIVPULBY-MOXGXCLJSA-N 0 0 457.512 0.955 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)c1 ZINC001193665604 1069512942 /nfs/dbraw/zinc/51/29/42/1069512942.db2.gz VLYKDXGIVPULBY-QKYXUNIQSA-N 0 0 457.512 0.955 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)c1 ZINC001193665605 1069512951 /nfs/dbraw/zinc/51/29/51/1069512951.db2.gz VLYKDXGIVPULBY-XFQXTVEOSA-N 0 0 457.512 0.955 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)c1 ZINC001193665606 1069513087 /nfs/dbraw/zinc/51/30/87/1069513087.db2.gz VLYKDXGIVPULBY-ZAAXVRCTSA-N 0 0 457.512 0.955 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)c1 ZINC001193665617 1069513065 /nfs/dbraw/zinc/51/30/65/1069513065.db2.gz VXDDDEZTLOLJDO-VDZJLULYSA-N 0 0 457.512 0.812 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)c1 ZINC001193665625 1069513382 /nfs/dbraw/zinc/51/33/82/1069513382.db2.gz WAZBAYIKLXFDQE-FQEVSTJZSA-N 0 0 461.500 0.123 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)c1 ZINC001193665626 1069513350 /nfs/dbraw/zinc/51/33/50/1069513350.db2.gz WAZBAYIKLXFDQE-HXUWFJFHSA-N 0 0 461.500 0.123 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001193665683 1069513437 /nfs/dbraw/zinc/51/34/37/1069513437.db2.gz YHFHNFAJUHIPGM-AVRDEDQJSA-N 0 0 487.538 0.726 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001193665684 1069513572 /nfs/dbraw/zinc/51/35/72/1069513572.db2.gz YHFHNFAJUHIPGM-GCJKJVERSA-N 0 0 487.538 0.726 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)c1 ZINC001193668185 1069513362 /nfs/dbraw/zinc/51/33/62/1069513362.db2.gz CCSFDXCTOJRNNU-NVXWUHKLSA-N 0 0 470.573 0.070 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001193668208 1069513533 /nfs/dbraw/zinc/51/35/33/1069513533.db2.gz DCXQOYHNWOQHNI-UHFFFAOYSA-N 0 0 469.527 0.674 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)c1 ZINC001193668222 1069513490 /nfs/dbraw/zinc/51/34/90/1069513490.db2.gz DREPXXXJUWMPNB-VDZJLULYSA-N 0 0 457.512 0.812 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)c1 ZINC001193668794 1069513523 /nfs/dbraw/zinc/51/35/23/1069513523.db2.gz NKJHXWKZEDQKRC-UHFFFAOYSA-N 0 0 497.537 0.382 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCc3ncc(CNC(=O)c4cnn(C)c4)n3CC2)c1 ZINC001193668816 1069513421 /nfs/dbraw/zinc/51/34/21/1069513421.db2.gz NLXSVMZJGYZKHS-UHFFFAOYSA-N 0 0 469.527 0.674 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)c1 ZINC001193669040 1069513561 /nfs/dbraw/zinc/51/35/61/1069513561.db2.gz RPMODRPYCYFFQK-ZYSHUDEJSA-N 0 0 459.528 0.756 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)c1 ZINC001193669112 1069513513 /nfs/dbraw/zinc/51/35/13/1069513513.db2.gz SQSAFMBQVPHJDN-HNNXBMFYSA-N 0 0 467.511 0.804 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)c1 ZINC001193669120 1069513466 /nfs/dbraw/zinc/51/34/66/1069513466.db2.gz SQSAFMBQVPHJDN-OAHLLOKOSA-N 0 0 467.511 0.804 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N[C@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)c1 ZINC001193688323 1069514123 /nfs/dbraw/zinc/51/41/23/1069514123.db2.gz AYGDKZHMUSCMDQ-IBGZPJMESA-N 0 0 472.567 0.897 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N[C@@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)c1 ZINC001193688324 1069514007 /nfs/dbraw/zinc/51/40/07/1069514007.db2.gz AYGDKZHMUSCMDQ-LJQANCHMSA-N 0 0 472.567 0.897 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001193688701 1069513917 /nfs/dbraw/zinc/51/39/17/1069513917.db2.gz PABNOLBMHZEKAK-UHFFFAOYSA-N 0 0 488.588 0.728 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4ccc(-n5cncn5)nc4)C3)OCC2=O)cc1 ZINC001193690603 1069514520 /nfs/dbraw/zinc/51/45/20/1069514520.db2.gz OKMIMGHZFVJCEC-HSZRJFAPSA-N 0 0 459.466 0.809 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4ccc(-n5cncn5)nc4)C3)OCC2=O)cc1 ZINC001193690615 1069514483 /nfs/dbraw/zinc/51/44/83/1069514483.db2.gz OKMIMGHZFVJCEC-QHCPKHFHSA-N 0 0 459.466 0.809 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1 ZINC001193697727 1069515667 /nfs/dbraw/zinc/51/56/67/1069515667.db2.gz BFIURQKZXPMLRJ-BXWFABGCSA-N 0 0 481.600 0.687 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC001193698082 1069515741 /nfs/dbraw/zinc/51/57/41/1069515741.db2.gz QHQSUCZOKBTOBJ-UHFFFAOYSA-N 0 0 464.569 0.852 20 30 JCEDRN CCOC(=O)[C@H](NS(=O)(=O)c1cc(OC)ccc1C#N)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001193699201 1069515477 /nfs/dbraw/zinc/51/54/77/1069515477.db2.gz SJXHFDBBXABPKG-MOPGFXCFSA-N 0 0 482.536 0.914 20 30 JCEDRN COCCOCCOCCOCCOCCOCCNS(=O)(=O)c1cc(OC)ccc1C#N ZINC001193708312 1069515581 /nfs/dbraw/zinc/51/55/81/1069515581.db2.gz FPDCCYYICNGVRF-UHFFFAOYSA-N 0 0 490.575 0.575 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC001193716304 1069516114 /nfs/dbraw/zinc/51/61/14/1069516114.db2.gz LFBWWKPGDMWLBI-QUCCMNQESA-N 0 0 474.539 0.788 20 30 JCEDRN COc1ccc(C#N)c(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)c1 ZINC001193716672 1069516242 /nfs/dbraw/zinc/51/62/42/1069516242.db2.gz RHUSFCGRIXASGX-HOTGVXAUSA-N 0 0 456.590 0.983 20 30 JCEDRN CCCCOC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001193731510 1069514910 /nfs/dbraw/zinc/51/49/10/1069514910.db2.gz HMCARDUGYIVRNI-KBPBESRZSA-N 0 0 463.553 0.319 20 30 JCEDRN CCCCCOC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001193797983 1069518060 /nfs/dbraw/zinc/51/80/60/1069518060.db2.gz QSZXKDQEBLGZHZ-GJZGRUSLSA-N 0 0 477.580 0.709 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OCC(C)C)C(=O)OCC ZINC001193870888 1069519195 /nfs/dbraw/zinc/51/91/95/1069519195.db2.gz KMEJQMNEVVHMKG-KBPBESRZSA-N 0 0 463.553 0.174 20 30 JCEDRN COC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1O ZINC001193882345 1069519099 /nfs/dbraw/zinc/51/90/99/1069519099.db2.gz JAZJBBDBDZMEIY-SCFUHWHPSA-N 0 0 479.471 0.338 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cc(CO)ccn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001193931317 1069519705 /nfs/dbraw/zinc/51/97/05/1069519705.db2.gz DRRYHBFLTJUITA-HXUWFJFHSA-N 0 0 492.511 0.892 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)c3ccccc3N)C2)n(Cc2ccccc2C#N)c1=O ZINC001193947486 1069524236 /nfs/dbraw/zinc/52/42/36/1069524236.db2.gz DVTDBFQPTOPEPL-LJQANCHMSA-N 0 0 494.577 0.996 20 30 JCEDRN C#CCn1ccc(CN(CC)CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)n1 ZINC001194010440 1069524696 /nfs/dbraw/zinc/52/46/96/1069524696.db2.gz XGCPQCSPKRXUQX-UHFFFAOYSA-N 0 0 459.572 0.676 20 30 JCEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001194019216 1069524762 /nfs/dbraw/zinc/52/47/62/1069524762.db2.gz YNGGMIBXLNUPFB-FPCVCCKLSA-N 0 0 457.553 0.980 20 30 JCEDRN C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001194019222 1069524752 /nfs/dbraw/zinc/52/47/52/1069524752.db2.gz YNGGMIBXLNUPFB-JJXSEGSLSA-N 0 0 457.553 0.980 20 30 JCEDRN C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001194019223 1069524844 /nfs/dbraw/zinc/52/48/44/1069524844.db2.gz YNGGMIBXLNUPFB-JONQDZQNSA-N 0 0 457.553 0.980 20 30 JCEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001194019224 1069524788 /nfs/dbraw/zinc/52/47/88/1069524788.db2.gz YNGGMIBXLNUPFB-QXSJWSMHSA-N 0 0 457.553 0.980 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(C)ccc2Br)CC1 ZINC001194096813 1069529464 /nfs/dbraw/zinc/52/94/64/1069529464.db2.gz NOJMVULGKXQXEG-UHFFFAOYSA-N 0 0 450.380 0.673 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CC1 ZINC001194097875 1069529487 /nfs/dbraw/zinc/52/94/87/1069529487.db2.gz SANSDFRNHGXVBX-UHFFFAOYSA-N 0 0 457.555 0.462 20 30 JCEDRN N#Cc1cncc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)c1 ZINC001194105543 1069529851 /nfs/dbraw/zinc/52/98/51/1069529851.db2.gz SNEIOQJYYCTJKP-RDPSFJRHSA-N 0 0 461.526 0.961 20 30 JCEDRN CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1 ZINC001194120564 1069528368 /nfs/dbraw/zinc/52/83/68/1069528368.db2.gz AXEXQSMATIAQGZ-JOCHJYFZSA-N 0 0 470.507 0.631 20 30 JCEDRN CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1 ZINC001194120565 1069528526 /nfs/dbraw/zinc/52/85/26/1069528526.db2.gz AXEXQSMATIAQGZ-QFIPXVFZSA-N 0 0 470.507 0.631 20 30 JCEDRN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)c2cncc(C#N)c2)cc1 ZINC001194122038 1069528506 /nfs/dbraw/zinc/52/85/06/1069528506.db2.gz XXVJUZDOYVILFE-JWUVWSEFSA-N 0 0 491.460 0.438 20 30 JCEDRN Cc1[nH]c(=O)ncc1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001194186060 1069530697 /nfs/dbraw/zinc/53/06/97/1069530697.db2.gz OMRILMHRODDIOH-GOSISDBHSA-N 0 0 493.499 0.809 20 30 JCEDRN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc2)cc1 ZINC001194207683 1069531724 /nfs/dbraw/zinc/53/17/24/1069531724.db2.gz AEEHHIZQEMCPGG-ZCRRFEJTSA-N 0 0 466.516 0.089 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Oc1ccccc1)C(=O)OCC ZINC001194279315 1069534092 /nfs/dbraw/zinc/53/40/92/1069534092.db2.gz GOZCKYUWCNSUFW-HOTGVXAUSA-N 0 0 483.543 0.581 20 30 JCEDRN COC(=O)c1cc(C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)[nH]n1 ZINC001194288535 1069535902 /nfs/dbraw/zinc/53/59/02/1069535902.db2.gz PGWPVKCWKFAGSV-GJZGRUSLSA-N 0 0 476.509 0.892 20 30 JCEDRN C=CCOC(=O)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001194290838 1069536275 /nfs/dbraw/zinc/53/62/75/1069536275.db2.gz MSVZACGKEZQNIT-IDTAVKCVSA-N 0 0 476.227 0.382 20 30 JCEDRN C=CCOC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC001194290864 1069536259 /nfs/dbraw/zinc/53/62/59/1069536259.db2.gz OBCMIGQCXPBWDU-NVQRDWNXSA-N 0 0 477.430 0.885 20 30 JCEDRN COC(=O)[C@@]1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H]1S(C)(=O)=O ZINC001194302423 1069535213 /nfs/dbraw/zinc/53/52/13/1069535213.db2.gz ITDFPPJKJYKEOR-GXTWGEPZSA-N 0 0 451.320 0.575 20 30 JCEDRN C=CCOC(=O)N[C@H](C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C ZINC001194339776 1069537372 /nfs/dbraw/zinc/53/73/72/1069537372.db2.gz FGNVDBSDTLAMFS-ROUUACIJSA-N 0 0 463.535 0.751 20 30 JCEDRN C=CCOC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001194346367 1069537994 /nfs/dbraw/zinc/53/79/94/1069537994.db2.gz AILKHHPBNUWXLY-JKQORVJESA-N 0 0 455.581 0.765 20 30 JCEDRN C=CCOC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001194346883 1069537977 /nfs/dbraw/zinc/53/79/77/1069537977.db2.gz MNDQWFKKWYYOBM-BQFCYCMXSA-N 0 0 458.581 0.774 20 30 JCEDRN C=CCOC(=O)NCCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001194349230 1069536377 /nfs/dbraw/zinc/53/63/77/1069536377.db2.gz FCSUNNCBRSRDJP-BZSNNMDCSA-N 0 0 467.567 0.191 20 30 JCEDRN C=CCOC(=O)NCCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001194349231 1069536385 /nfs/dbraw/zinc/53/63/85/1069536385.db2.gz FCSUNNCBRSRDJP-OKZBNKHCSA-N 0 0 467.567 0.191 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OCC(C)(C)C)C(=O)OCC ZINC001194415434 1069538352 /nfs/dbraw/zinc/53/83/52/1069538352.db2.gz VCEIDRKJQVFBFP-KBPBESRZSA-N 0 0 477.580 0.565 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Oc1ccc(C)cc1)C(=O)OCC ZINC001194488469 1069540447 /nfs/dbraw/zinc/54/04/47/1069540447.db2.gz IQEXRWPGHATNAB-IRXDYDNUSA-N 0 0 497.570 0.889 20 30 JCEDRN COCCn1cccc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1=O ZINC001194491750 1069541064 /nfs/dbraw/zinc/54/10/64/1069541064.db2.gz MKWMFQKYEPVLCJ-DEOSSOPVSA-N 0 0 466.494 0.641 20 30 JCEDRN COCCn1cccc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1=O ZINC001194491752 1069540938 /nfs/dbraw/zinc/54/09/38/1069540938.db2.gz MKWMFQKYEPVLCJ-XMMPIXPASA-N 0 0 466.494 0.641 20 30 JCEDRN C[NH+]1CCN(c2ccc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])c(F)c2)CC1 ZINC001194561217 1069543682 /nfs/dbraw/zinc/54/36/82/1069543682.db2.gz WLNWJCMEBUSSIG-INIZCTEOSA-N 0 0 450.473 0.734 20 30 JCEDRN C[NH+]1CCN(c2ccc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c(F)c2)CC1 ZINC001194561218 1069543935 /nfs/dbraw/zinc/54/39/35/1069543935.db2.gz WLNWJCMEBUSSIG-MRXNPFEDSA-N 0 0 450.473 0.734 20 30 JCEDRN CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)Nc2c(C#N)cnc3c(C#N)cnn32)CC1 ZINC001194619529 1069550405 /nfs/dbraw/zinc/55/04/05/1069550405.db2.gz HDSXWMDDZXCLBV-UHFFFAOYSA-N 0 0 464.511 0.880 20 30 JCEDRN CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)N2CCN(c3nccnc3C#N)CC2)CC1 ZINC001194631616 1069547388 /nfs/dbraw/zinc/54/73/88/1069547388.db2.gz WZFZZKBLWZPQNJ-UHFFFAOYSA-N 0 0 469.571 0.466 20 30 JCEDRN CS(=O)(=O)c1cc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccn1 ZINC001194684254 1069552493 /nfs/dbraw/zinc/55/24/93/1069552493.db2.gz RMEAQZPCHDYOHO-JOCHJYFZSA-N 0 0 470.507 0.631 20 30 JCEDRN CS(=O)(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccn1 ZINC001194684255 1069552534 /nfs/dbraw/zinc/55/25/34/1069552534.db2.gz RMEAQZPCHDYOHO-QFIPXVFZSA-N 0 0 470.507 0.631 20 30 JCEDRN COc1ncccc1S(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001194687327 1069553088 /nfs/dbraw/zinc/55/30/88/1069553088.db2.gz VHXSRKRBQDYZHL-NRFANRHFSA-N 0 0 458.496 0.785 20 30 JCEDRN COc1ncccc1S(=O)(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001194687328 1069553493 /nfs/dbraw/zinc/55/34/93/1069553493.db2.gz VHXSRKRBQDYZHL-OAQYLSRUSA-N 0 0 458.496 0.785 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cn(-c5cnccn5)cn4)C3)OCC2=O)cc1 ZINC001194715888 1069555481 /nfs/dbraw/zinc/55/54/81/1069555481.db2.gz BZOAOZSOMAROOI-HSZRJFAPSA-N 0 0 459.466 0.809 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cn(-c5cnccn5)cn4)C3)OCC2=O)cc1 ZINC001194715892 1069555331 /nfs/dbraw/zinc/55/53/31/1069555331.db2.gz BZOAOZSOMAROOI-QHCPKHFHSA-N 0 0 459.466 0.809 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OCC(CC)CC)C(=O)OCC ZINC001194729874 1069554187 /nfs/dbraw/zinc/55/41/87/1069554187.db2.gz NDWLIURMZDVQKP-HOTGVXAUSA-N 0 0 491.607 0.955 20 30 JCEDRN COc1cc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)n(C)n1 ZINC001194750281 1069554801 /nfs/dbraw/zinc/55/48/01/1069554801.db2.gz GURGMSKUHUBFRV-GOSISDBHSA-N 0 0 495.515 0.747 20 30 JCEDRN O=C(Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(C#CBr)cc1 ZINC001194797271 1069555708 /nfs/dbraw/zinc/55/57/08/1069555708.db2.gz IFWZNNZSGOMSMW-XWXWGSFUSA-N 0 0 492.261 0.533 20 30 JCEDRN O=C(Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(C#CBr)cc1 ZINC001194797718 1069556488 /nfs/dbraw/zinc/55/64/88/1069556488.db2.gz TUZDTKFXTQAJPQ-XWXWGSFUSA-N 0 0 490.270 0.100 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)n3c(N)c(C#N)c(N)nc3=NC3CC3)cn2)CC1 ZINC001194815891 1069557846 /nfs/dbraw/zinc/55/78/46/1069557846.db2.gz QPECLCYSAJVYJM-UHFFFAOYSA-N 0 0 480.533 0.518 20 30 JCEDRN CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)Nc3nc(C#N)c(C#N)nc3N)cn2)CC1 ZINC001194816484 1069558013 /nfs/dbraw/zinc/55/80/13/1069558013.db2.gz XTQYYXIMIYTLDG-UHFFFAOYSA-N 0 0 450.463 0.902 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)C3CCC(=O)CC3)C2)n(Cc2ccccc2C#N)c1=O ZINC001194820608 1069558569 /nfs/dbraw/zinc/55/85/69/1069558569.db2.gz BPTRFKGKPGZBDY-LJQANCHMSA-N 0 0 499.593 0.867 20 30 JCEDRN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C#CBr)cc1 ZINC001194827377 1069558962 /nfs/dbraw/zinc/55/89/62/1069558962.db2.gz LUXWEXDUBMRQOG-IRXDYDNUSA-N 0 0 458.316 0.931 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OC[C@H](C)CC)C(=O)OCC ZINC001194837396 1069559044 /nfs/dbraw/zinc/55/90/44/1069559044.db2.gz IMJNKVPZDCIMQT-ILXRZTDVSA-N 0 0 477.580 0.565 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OC[C@@H](C)CC)C(=O)OCC ZINC001194837397 1069559683 /nfs/dbraw/zinc/55/96/83/1069559683.db2.gz IMJNKVPZDCIMQT-KKUMJFAQSA-N 0 0 477.580 0.565 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)CC2)o1 ZINC001194882077 1069561392 /nfs/dbraw/zinc/56/13/92/1069561392.db2.gz GLLPLMLVJCJGLY-INIZCTEOSA-N 0 0 450.565 0.297 20 30 JCEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CNS(=O)(=O)C4CC4)C3)CC2)o1 ZINC001194882079 1069561279 /nfs/dbraw/zinc/56/12/79/1069561279.db2.gz GLLPLMLVJCJGLY-MRXNPFEDSA-N 0 0 450.565 0.297 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OCCC(C)C)C(=O)OCC ZINC001194902430 1069561924 /nfs/dbraw/zinc/56/19/24/1069561924.db2.gz OIAXGKJCYVHNLI-GJZGRUSLSA-N 0 0 477.580 0.565 20 30 JCEDRN Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC001194921380 1069562451 /nfs/dbraw/zinc/56/24/51/1069562451.db2.gz XOPQVDZOSMWEQJ-XHIHJMKYSA-N 0 0 476.507 0.238 20 30 JCEDRN COc1nccnc1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001195096548 1069568745 /nfs/dbraw/zinc/56/87/45/1069568745.db2.gz ZGCNKIBPKPTGPB-GOSISDBHSA-N 0 0 493.499 0.803 20 30 JCEDRN C=CCCOc1ccc(C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)cc1 ZINC001195142364 1069569857 /nfs/dbraw/zinc/56/98/57/1069569857.db2.gz PIPSBZKDHBPVHX-ZLFGVDQTSA-N 0 0 468.514 0.896 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)O[C@@H](C)CC)C(=O)OCC ZINC001195153318 1069570575 /nfs/dbraw/zinc/57/05/75/1069570575.db2.gz KKDFZVWDBFBNEL-IHRRRGAJSA-N 0 0 463.553 0.317 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)O[C@H](C)CC)C(=O)OCC ZINC001195153319 1069570481 /nfs/dbraw/zinc/57/04/81/1069570481.db2.gz KKDFZVWDBFBNEL-RDBSUJKOSA-N 0 0 463.553 0.317 20 30 JCEDRN COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 ZINC001195259976 1069574509 /nfs/dbraw/zinc/57/45/09/1069574509.db2.gz FVPXKEOHEAUWJE-NHYWBVRUSA-N 0 0 463.331 0.795 20 30 JCEDRN COC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 ZINC001195261454 1069574368 /nfs/dbraw/zinc/57/43/68/1069574368.db2.gz RFJYDZODOFPYQQ-NHYWBVRUSA-N 0 0 463.331 0.795 20 30 JCEDRN N#C[C@@]12CN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001195269752 1069574990 /nfs/dbraw/zinc/57/49/90/1069574990.db2.gz GHOIHTIJXFXTNA-ZANVPECISA-N 0 0 450.292 0.916 20 30 JCEDRN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001195271684 1069575005 /nfs/dbraw/zinc/57/50/05/1069575005.db2.gz WPTVTIRBAJXMLZ-GTNSWQLSSA-N 0 0 461.949 0.609 20 30 JCEDRN COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 ZINC001195272066 1069575118 /nfs/dbraw/zinc/57/51/18/1069575118.db2.gz XBHHGNYHQHKSFY-SDBXPKJASA-N 0 0 469.360 0.856 20 30 JCEDRN C=CCN1CCN(C)C2(CCN(S(=O)(=O)c3cc(C(=O)OC)c(O)cc3C)CC2)C1=O ZINC001195360509 1069579594 /nfs/dbraw/zinc/57/95/94/1069579594.db2.gz UBEOPWPGDQRFFW-UHFFFAOYSA-N 0 0 451.545 0.971 20 30 JCEDRN COc1ccc(C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)nc1I ZINC001195415219 1069581604 /nfs/dbraw/zinc/58/16/04/1069581604.db2.gz QXOWCNJYCULKKQ-UHFFFAOYSA-N 0 0 451.228 0.679 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1cnccc1C(N)=O ZINC001195439073 1069584845 /nfs/dbraw/zinc/58/48/45/1069584845.db2.gz CZUHFMZHQHJJKW-HOTGVXAUSA-N 0 0 472.521 0.876 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc(C)cc(C#N)c1)C(N)=O ZINC001195448771 1069583633 /nfs/dbraw/zinc/58/36/33/1069583633.db2.gz WXBFFVUHJDIXJV-ROUUACIJSA-N 0 0 461.588 0.851 20 30 JCEDRN Cn1cc(C(=O)n2c(=N)c3c(N)nc(N4CCCC4)cc3c(C#N)c2N2CCCC2)c(=O)n(C)c1=O ZINC001195530080 1069586728 /nfs/dbraw/zinc/58/67/28/1069586728.db2.gz FJGGHNFOPAYDQI-UHFFFAOYSA-N 0 0 489.540 0.256 20 30 JCEDRN Cn1c(Br)c(C#N)c2c1nc(Cl)nc2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195533713 1069587455 /nfs/dbraw/zinc/58/74/55/1069587455.db2.gz DOCGBFFDKKLCTG-UHFFFAOYSA-N 0 0 452.656 0.906 20 30 JCEDRN CCOC(=O)CNC(=S)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001195543823 1069588336 /nfs/dbraw/zinc/58/83/36/1069588336.db2.gz WHBXPPRAFVAMRH-HOTGVXAUSA-N 0 0 469.583 0.980 20 30 JCEDRN N#C[C@]12CN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)C[C@H]1CS(=O)(=O)C2 ZINC001195574490 1069589148 /nfs/dbraw/zinc/58/91/48/1069589148.db2.gz BIGPQDWJPZQUFW-TVQRCGJNSA-N 0 0 450.292 0.916 20 30 JCEDRN N#C[C@]12CN(S(=O)(=O)c3cc(C(N)=O)c(Br)cc3F)C[C@H]1CS(=O)(=O)C2 ZINC001195574677 1069588945 /nfs/dbraw/zinc/58/89/45/1069588945.db2.gz INISBLLNWLABDH-RMLUDKJBSA-N 0 0 466.310 0.246 20 30 JCEDRN N#C[C@]12CN(S(=O)(=O)C3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001195574904 1069589091 /nfs/dbraw/zinc/58/90/91/1069589091.db2.gz NPYADKAQBNPUBY-FXAWDEMLSA-N 0 0 467.569 0.988 20 30 JCEDRN COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001195575313 1069589100 /nfs/dbraw/zinc/58/91/00/1069589100.db2.gz SROAWUBHTQXFMH-BLLLJJGKSA-N 0 0 477.358 0.723 20 30 JCEDRN COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 ZINC001195575390 1069589138 /nfs/dbraw/zinc/58/91/38/1069589138.db2.gz UEPBODYXVWOKLR-ZUZCIYMTSA-N 0 0 481.321 0.934 20 30 JCEDRN CCOC(=O)CNC(=S)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001195576327 1069588907 /nfs/dbraw/zinc/58/89/07/1069588907.db2.gz KNFCSGPAAMREQT-GOSISDBHSA-N 0 0 484.582 0.463 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cn1 ZINC001195700548 1069596900 /nfs/dbraw/zinc/59/69/00/1069596900.db2.gz QTPZWBGIEDBYJR-NRFANRHFSA-N 0 0 458.496 0.785 20 30 JCEDRN COc1ccc(S(=O)(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cn1 ZINC001195700549 1069597652 /nfs/dbraw/zinc/59/76/52/1069597652.db2.gz QTPZWBGIEDBYJR-OAQYLSRUSA-N 0 0 458.496 0.785 20 30 JCEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001195743902 1069600408 /nfs/dbraw/zinc/60/04/08/1069600408.db2.gz DPQUUHPUDUMCHB-AHXXEEHFSA-N 0 0 477.539 0.555 20 30 JCEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001195743903 1069600433 /nfs/dbraw/zinc/60/04/33/1069600433.db2.gz DPQUUHPUDUMCHB-BGSOBKSBSA-N 0 0 477.539 0.555 20 30 JCEDRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(C#N)cc1[O-])C(N)=O ZINC001195768567 1069598817 /nfs/dbraw/zinc/59/88/17/1069598817.db2.gz NGRSSQKAOMLKSP-BJLQDIEVSA-N 0 0 486.573 0.108 20 30 JCEDRN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(S(=O)(=O)c1ccc(Br)c(C#N)c1)C2 ZINC001195877761 1069605989 /nfs/dbraw/zinc/60/59/89/1069605989.db2.gz RXHPQNWDVIXXOJ-AWEZNQCLSA-N 0 0 453.322 0.882 20 30 JCEDRN Cc1nnc2n1C[C@H](C(=O)N(C)C)N(S(=O)(=O)c1ccc(Br)c(C#N)c1)C2 ZINC001195877762 1069605888 /nfs/dbraw/zinc/60/58/88/1069605888.db2.gz RXHPQNWDVIXXOJ-CQSZACIVSA-N 0 0 453.322 0.882 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C#N)C(N)=O)c2)CC1 ZINC001195954698 1069609290 /nfs/dbraw/zinc/60/92/90/1069609290.db2.gz OGGGYSWZZYGMLB-INIZCTEOSA-N 0 0 465.532 0.472 20 30 JCEDRN CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)N[C@H](C#N)C(N)=O)c2)CC1 ZINC001195954704 1069609617 /nfs/dbraw/zinc/60/96/17/1069609617.db2.gz OGGGYSWZZYGMLB-MRXNPFEDSA-N 0 0 465.532 0.472 20 30 JCEDRN CCOC(=O)CS(=O)(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001195961126 1069607411 /nfs/dbraw/zinc/60/74/11/1069607411.db2.gz JQBWFWBFOMCCSQ-HOTGVXAUSA-N 0 0 474.555 0.435 20 30 JCEDRN CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001196051667 1069616001 /nfs/dbraw/zinc/61/60/01/1069616001.db2.gz RSFHEJVTXZFJRC-HSZRJFAPSA-N 0 0 484.534 0.772 20 30 JCEDRN CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001196051668 1069616020 /nfs/dbraw/zinc/61/60/20/1069616020.db2.gz RSFHEJVTXZFJRC-QHCPKHFHSA-N 0 0 484.534 0.772 20 30 JCEDRN COC(=O)c1cc(C(=O)Nc2c(C#N)cnc3c(C#N)cnn32)cc(N(C)S(C)(=O)=O)c1 ZINC001196092026 1069618259 /nfs/dbraw/zinc/61/82/59/1069618259.db2.gz VTZWPYBJYWTSBE-UHFFFAOYSA-N 0 0 453.440 0.907 20 30 JCEDRN COC(=O)c1cc(C(=O)N2CCN(c3nccnc3C#N)CC2)cc(N(C)S(C)(=O)=O)c1 ZINC001196103556 1069620367 /nfs/dbraw/zinc/62/03/67/1069620367.db2.gz SRIURLOAZVQWQQ-UHFFFAOYSA-N 0 0 458.500 0.493 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1ccncc1CC)C(=O)OCC ZINC001196147502 1069623606 /nfs/dbraw/zinc/62/36/06/1069623606.db2.gz DXRVKTIZYVKTOA-IRXDYDNUSA-N 0 0 496.586 0.180 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cncc(=O)[nH]3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001196167646 1069627331 /nfs/dbraw/zinc/62/73/31/1069627331.db2.gz GIGGOXOWBXYORT-QGZVFWFLSA-N 0 0 479.472 0.088 20 30 JCEDRN N#Cc1c2cc(N3CCCC3)nc(N)c2c(=N)n(C(=O)c2cc(=O)cc(C(N)=O)o2)c1N1CCCC1 ZINC001196194570 1069628055 /nfs/dbraw/zinc/62/80/55/1069628055.db2.gz QDORJKUIUYJXIG-UHFFFAOYSA-N 0 0 488.508 0.911 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1cc(=O)cc(C(N)=O)o1 ZINC001196199869 1069628220 /nfs/dbraw/zinc/62/82/20/1069628220.db2.gz ALTPFHNJLFXHIV-GJZGRUSLSA-N 0 0 489.504 0.435 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccnc(CO)c3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001196246544 1069630105 /nfs/dbraw/zinc/63/01/05/1069630105.db2.gz FLFVNVBSRPHEJG-HXUWFJFHSA-N 0 0 492.511 0.892 20 30 JCEDRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=S)Nc2ccccc2C#N)[C@H](O)[C@@H]1O ZINC001196292535 1069634947 /nfs/dbraw/zinc/63/49/47/1069634947.db2.gz RZOJUMFKXGYXJO-QCUYGVNKSA-N 0 0 468.499 0.262 20 30 JCEDRN COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1ncnc2NC(=S)Nc1ccccc1C#N ZINC001196294544 1069634857 /nfs/dbraw/zinc/63/48/57/1069634857.db2.gz CCKASNTVOFCLBT-WVSUBDOOSA-N 0 0 485.526 0.789 20 30 JCEDRN N#Cc1ccccc1NC(=S)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001196295110 1069634924 /nfs/dbraw/zinc/63/49/24/1069634924.db2.gz RUKMUTKJQFAIIN-XNIJJKJLSA-N 0 0 461.891 0.772 20 30 JCEDRN N#C[C@@]12CN(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001196335501 1069636308 /nfs/dbraw/zinc/63/63/08/1069636308.db2.gz OKEKYBOAIKYUPI-KSSFIOAISA-N 0 0 454.530 0.110 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=S)Nc2ccccc2C#N)[C@H]1O ZINC001196342621 1069636913 /nfs/dbraw/zinc/63/69/13/1069636913.db2.gz LOHBCGJCCGJGPE-NPNMTCQASA-N 0 0 454.516 0.370 20 30 JCEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1snnc1CO ZINC001196356003 1069636803 /nfs/dbraw/zinc/63/68/03/1069636803.db2.gz NMRFACJAERXRHP-KBPBESRZSA-N 0 0 466.539 0.726 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3snnc3CO)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001196363921 1069639152 /nfs/dbraw/zinc/63/91/52/1069639152.db2.gz IDTDXGHIAYBABS-MRXNPFEDSA-N 0 0 499.528 0.349 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3csc(CO)n3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001196384610 1069637471 /nfs/dbraw/zinc/63/74/71/1069637471.db2.gz SYSHKSRRYJSOTC-QGZVFWFLSA-N 0 0 498.540 0.954 20 30 JCEDRN C=C[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC001196400341 1069638470 /nfs/dbraw/zinc/63/84/70/1069638470.db2.gz UXIPTFNBMQAARD-INIZCTEOSA-N 0 0 454.549 0.867 20 30 JCEDRN C=C[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC001196400343 1069638452 /nfs/dbraw/zinc/63/84/52/1069638452.db2.gz UXIPTFNBMQAARD-MRXNPFEDSA-N 0 0 454.549 0.867 20 30 JCEDRN CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)n1 ZINC001196409556 1069639974 /nfs/dbraw/zinc/63/99/74/1069639974.db2.gz KPEVOTCMLHHDCL-JOCHJYFZSA-N 0 0 470.507 0.631 20 30 JCEDRN CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)n1 ZINC001196409558 1069639866 /nfs/dbraw/zinc/63/98/66/1069639866.db2.gz KPEVOTCMLHHDCL-QFIPXVFZSA-N 0 0 470.507 0.631 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4nc(Br)c[nH]c4=O)C3)OCC2=O)cc1 ZINC001196493829 1069645584 /nfs/dbraw/zinc/64/55/84/1069645584.db2.gz POPRUXXPBBGLRJ-FQEVSTJZSA-N 0 0 488.298 0.679 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4nc(Br)c[nH]c4=O)C3)OCC2=O)cc1 ZINC001196493833 1069645661 /nfs/dbraw/zinc/64/56/61/1069645661.db2.gz POPRUXXPBBGLRJ-HXUWFJFHSA-N 0 0 488.298 0.679 20 30 JCEDRN Cc1nc(C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)c[nH]c1=O ZINC001196516066 1069644337 /nfs/dbraw/zinc/64/43/37/1069644337.db2.gz MGALXTJFJHNUJI-HOTGVXAUSA-N 0 0 460.510 0.774 20 30 JCEDRN Cc1nc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)c[nH]c1=O ZINC001196522943 1069644258 /nfs/dbraw/zinc/64/42/58/1069644258.db2.gz MUJCSCXBVVBMJX-GOSISDBHSA-N 0 0 493.499 0.397 20 30 JCEDRN COc1ncncc1C(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001196545004 1069648001 /nfs/dbraw/zinc/64/80/01/1069648001.db2.gz SBYQNUHEPPDBSD-GOSISDBHSA-N 0 0 493.499 0.803 20 30 JCEDRN N#Cc1cccnc1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001196551665 1069647636 /nfs/dbraw/zinc/64/76/36/1069647636.db2.gz LFPUITGBXKZUMN-CYFREDJKSA-N 0 0 461.526 0.961 20 30 JCEDRN CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001196622659 1069650127 /nfs/dbraw/zinc/65/01/27/1069650127.db2.gz JSXUCQORSHGTAQ-FXAWDEMLSA-N 0 0 451.568 0.796 20 30 JCEDRN CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001196622667 1069649982 /nfs/dbraw/zinc/64/99/82/1069649982.db2.gz JSXUCQORSHGTAQ-PXNSSMCTSA-N 0 0 451.568 0.796 20 30 JCEDRN CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001196622668 1069649910 /nfs/dbraw/zinc/64/99/10/1069649910.db2.gz JSXUCQORSHGTAQ-XLIONFOSSA-N 0 0 451.568 0.796 20 30 JCEDRN CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001196622669 1069649816 /nfs/dbraw/zinc/64/98/16/1069649816.db2.gz JSXUCQORSHGTAQ-YLJYHZDGSA-N 0 0 451.568 0.796 20 30 JCEDRN COCC(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1cc(Cl)ccc1C#N)CCC2 ZINC001196661517 1069652034 /nfs/dbraw/zinc/65/20/34/1069652034.db2.gz AXIKGDFLQAJFDF-UHFFFAOYSA-N 0 0 465.919 0.626 20 30 JCEDRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(S(=O)(=O)c1cc(Cl)ccc1C#N)C2 ZINC001196661792 1069652091 /nfs/dbraw/zinc/65/20/91/1069652091.db2.gz HZWYIXDRUCFFOQ-FQEVSTJZSA-N 0 0 476.946 0.974 20 30 JCEDRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(S(=O)(=O)c1cc(Cl)ccc1C#N)C2 ZINC001196661796 1069651929 /nfs/dbraw/zinc/65/19/29/1069651929.db2.gz HZWYIXDRUCFFOQ-HXUWFJFHSA-N 0 0 476.946 0.974 20 30 JCEDRN N#Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001196661902 1069652062 /nfs/dbraw/zinc/65/20/62/1069652062.db2.gz JCRMHVJNHWQNCU-JFIYKMOQSA-N 0 0 487.987 0.494 20 30 JCEDRN N#Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001196661906 1069651889 /nfs/dbraw/zinc/65/18/89/1069651889.db2.gz JCRMHVJNHWQNCU-LZLYRXPVSA-N 0 0 487.987 0.494 20 30 JCEDRN Cn1cc(N2C[C@@]3(COCCN(S(=O)(=O)c4cc(Cl)ccc4C#N)C3)OCC2=O)cn1 ZINC001196663910 1069652069 /nfs/dbraw/zinc/65/20/69/1069652069.db2.gz PPCVXHUWNVVUEZ-IBGZPJMESA-N 0 0 465.919 0.768 20 30 JCEDRN Cn1cc(N2C[C@]3(COCCN(S(=O)(=O)c4cc(Cl)ccc4C#N)C3)OCC2=O)cn1 ZINC001196663911 1069652085 /nfs/dbraw/zinc/65/20/85/1069652085.db2.gz PPCVXHUWNVVUEZ-LJQANCHMSA-N 0 0 465.919 0.768 20 30 JCEDRN CN(C)C(=O)CN1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3C#N)CC[C@H]2S1(=O)=O ZINC001196663932 1069651948 /nfs/dbraw/zinc/65/19/48/1069651948.db2.gz QFTJOKRGTBWDDH-GDBMZVCRSA-N 0 0 474.992 0.715 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)NCC(N)=O ZINC001196672308 1069652565 /nfs/dbraw/zinc/65/25/65/1069652565.db2.gz PAJAFHDGVXQBQI-HOTGVXAUSA-N 0 0 483.978 0.497 20 30 JCEDRN N#Cc1ccc(Cl)cc1S(=O)(=O)NCCOCCOCCOCCOCCOCCO ZINC001196704197 1069653288 /nfs/dbraw/zinc/65/32/88/1069653288.db2.gz KOJFBEMAHBVCOO-UHFFFAOYSA-N 0 0 480.967 0.565 20 30 JCEDRN CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1 ZINC001196705172 1069653228 /nfs/dbraw/zinc/65/32/28/1069653228.db2.gz WUMXDKPVCLXENH-JOCHJYFZSA-N 0 0 470.507 0.631 20 30 JCEDRN CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1 ZINC001196705176 1069653267 /nfs/dbraw/zinc/65/32/67/1069653267.db2.gz WUMXDKPVCLXENH-QFIPXVFZSA-N 0 0 470.507 0.631 20 30 JCEDRN COC(=O)[C@H](CCCCNS(=O)(=O)c1cc(Cl)ccc1C#N)NC(=O)CNC(C)=O ZINC001196713250 1069654074 /nfs/dbraw/zinc/65/40/74/1069654074.db2.gz GUZMDVJUBPSYTE-HNNXBMFYSA-N 0 0 458.924 0.454 20 30 JCEDRN N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001196713688 1069654054 /nfs/dbraw/zinc/65/40/54/1069654054.db2.gz MZYJGPWYKHUVNB-HOTGVXAUSA-N 0 0 450.904 0.064 20 30 JCEDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cc(Cl)ccc1C#N)C(N)=O ZINC001196714232 1069654012 /nfs/dbraw/zinc/65/40/12/1069654012.db2.gz WFWRYBMJFCYMAJ-VOZBZGINSA-N 0 0 480.930 0.158 20 30 JCEDRN N#Cc1cccc(-c2cc(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)no2)c1 ZINC001196761560 1069656128 /nfs/dbraw/zinc/65/61/28/1069656128.db2.gz NSCNFHAAGWLDQX-DBXWQHBBSA-N 0 0 484.534 0.947 20 30 JCEDRN N#Cc1cccc(-c2cc(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)no2)c1 ZINC001196761561 1069656157 /nfs/dbraw/zinc/65/61/57/1069656157.db2.gz NSCNFHAAGWLDQX-WAOWUJCRSA-N 0 0 484.534 0.947 20 30 JCEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2cccc(C#N)c2)on1)C(=O)NCC(N)=O ZINC001196765677 1069656017 /nfs/dbraw/zinc/65/60/17/1069656017.db2.gz WPDLSXPYQPSPRI-HKUYNNGSSA-N 0 0 480.525 0.950 20 30 JCEDRN COC(=O)CCCCS(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001196930583 1069663600 /nfs/dbraw/zinc/66/36/00/1069663600.db2.gz WBTSKXWWADIXHU-NRFANRHFSA-N 0 0 465.528 0.666 20 30 JCEDRN COC(=O)CCCCS(=O)(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001196930584 1069663453 /nfs/dbraw/zinc/66/34/53/1069663453.db2.gz WBTSKXWWADIXHU-OAQYLSRUSA-N 0 0 465.528 0.666 20 30 JCEDRN COC(=O)CCN(CC#N)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001197070299 1069673252 /nfs/dbraw/zinc/67/32/52/1069673252.db2.gz XQLKMVAJDDNVFS-INIZCTEOSA-N 0 0 452.533 0.732 20 30 JCEDRN COC(=O)CCN(CC#N)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001197070302 1069673384 /nfs/dbraw/zinc/67/33/84/1069673384.db2.gz XQLKMVAJDDNVFS-MRXNPFEDSA-N 0 0 452.533 0.732 20 30 JCEDRN COC(=O)CNC(=S)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001197182559 1069675495 /nfs/dbraw/zinc/67/54/95/1069675495.db2.gz PHJOBGNWBICCOI-GJZGRUSLSA-N 0 0 455.556 0.590 20 30 JCEDRN COC(=O)CNC(=S)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001197209394 1069677521 /nfs/dbraw/zinc/67/75/21/1069677521.db2.gz MVEVWHMPMTXVMI-QGZVFWFLSA-N 0 0 470.555 0.073 20 30 JCEDRN COC(=O)CNC(=S)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001197213861 1069677495 /nfs/dbraw/zinc/67/74/95/1069677495.db2.gz LVXXXXFSBNOVSJ-QGZVFWFLSA-N 0 0 488.545 0.212 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ncc(F)cn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001197218689 1069679433 /nfs/dbraw/zinc/67/94/33/1069679433.db2.gz ILXSYDKJMJQXAY-GOSISDBHSA-N 0 0 481.463 0.934 20 30 JCEDRN CCN1C[C@@]23CN(S(=O)(=O)c4ccc(Br)c(C#N)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001197290572 1069686515 /nfs/dbraw/zinc/68/65/15/1069686515.db2.gz FHCHPPFQKWCCNK-UHOFOFEASA-N 0 0 476.374 0.887 20 30 JCEDRN CN(C)C(=O)CO[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@@H]2COC[C@H]12 ZINC001197290860 1069686627 /nfs/dbraw/zinc/68/66/27/1069686627.db2.gz KOSJPDBUDIJXQB-NUEKZKHPSA-N 0 0 458.334 0.813 20 30 JCEDRN CC(=O)N1CCOC[C@@]2(CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 ZINC001197290954 1069686443 /nfs/dbraw/zinc/68/64/43/1069686443.db2.gz NBGKIGUZJZVAHP-KRWDZBQOSA-N 0 0 458.334 0.959 20 30 JCEDRN CC(=O)N1CCOC[C@]2(CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 ZINC001197290955 1069686528 /nfs/dbraw/zinc/68/65/28/1069686528.db2.gz NBGKIGUZJZVAHP-QGZVFWFLSA-N 0 0 458.334 0.959 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)ccc1Br ZINC001197290996 1069686584 /nfs/dbraw/zinc/68/65/84/1069686584.db2.gz OHGMPLUDHVRDGA-KBRIMQKVSA-N 0 0 478.328 0.929 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2CCn3c(CN4CCOCC4)nnc3C2)ccc1Br ZINC001197291145 1069686665 /nfs/dbraw/zinc/68/66/65/1069686665.db2.gz UHNNMSYVZBDOIN-UHFFFAOYSA-N 0 0 467.349 0.949 20 30 JCEDRN CCc1cc(C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)ccc1C#N ZINC001197293348 1069686594 /nfs/dbraw/zinc/68/65/94/1069686594.db2.gz AMXDTOLATIMIQS-RPLGYBLPSA-N 0 0 451.487 0.376 20 30 JCEDRN CN(C)C(=O)COCc1nnc2n1CCN(S(=O)(=O)c1ccc(Br)c(C#N)c1)C2 ZINC001197300085 1069685744 /nfs/dbraw/zinc/68/57/44/1069685744.db2.gz IOLIOEBSFUUYON-UHFFFAOYSA-N 0 0 483.348 0.722 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)ccc1Br ZINC001197300431 1069685767 /nfs/dbraw/zinc/68/57/67/1069685767.db2.gz NAQVXXRGBUHNIE-FRFSOERESA-N 0 0 470.345 0.958 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)ccc1Br ZINC001197300438 1069685568 /nfs/dbraw/zinc/68/55/68/1069685568.db2.gz NAQVXXRGBUHNIE-UKPHBRMFSA-N 0 0 470.345 0.958 20 30 JCEDRN CC(=O)N1CCO[C@]2(C1)COCCN(S(=O)(=O)c1ccc(Br)c(C#N)c1)C2 ZINC001197300551 1069685623 /nfs/dbraw/zinc/68/56/23/1069685623.db2.gz NYNKWKUNUADNQV-KRWDZBQOSA-N 0 0 458.334 0.959 20 30 JCEDRN CC(=O)N1CCO[C@@]2(C1)COCCN(S(=O)(=O)c1ccc(Br)c(C#N)c1)C2 ZINC001197300554 1069685599 /nfs/dbraw/zinc/68/55/99/1069685599.db2.gz NYNKWKUNUADNQV-QGZVFWFLSA-N 0 0 458.334 0.959 20 30 JCEDRN CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001197301046 1069685758 /nfs/dbraw/zinc/68/57/58/1069685758.db2.gz YHIMJDZBAQXGQF-GJZGRUSLSA-N 0 0 455.334 0.773 20 30 JCEDRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1ccc(Br)c(C#N)c1)C2 ZINC001197302884 1069685628 /nfs/dbraw/zinc/68/56/28/1069685628.db2.gz HKDLFJWWGDIAPN-GFCCVEGCSA-N 0 0 463.331 0.672 20 30 JCEDRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1ccc(Br)c(C#N)c1)C2 ZINC001197302885 1069685506 /nfs/dbraw/zinc/68/55/06/1069685506.db2.gz HKDLFJWWGDIAPN-LBPRGKRZSA-N 0 0 463.331 0.672 20 30 JCEDRN CC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(Br)c(C#N)c1)C[C@H]2C(=O)N(C)C ZINC001197311203 1069685772 /nfs/dbraw/zinc/68/57/72/1069685772.db2.gz YTJRNXFOHMAPDG-HNNXBMFYSA-N 0 0 469.361 0.878 20 30 JCEDRN CC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(Br)c(C#N)c1)C[C@@H]2C(=O)N(C)C ZINC001197311206 1069685613 /nfs/dbraw/zinc/68/56/13/1069685613.db2.gz YTJRNXFOHMAPDG-OAHLLOKOSA-N 0 0 469.361 0.878 20 30 JCEDRN CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC001197332100 1069687454 /nfs/dbraw/zinc/68/74/54/1069687454.db2.gz OKAFXDRSWKQIEY-UHFFFAOYSA-N 0 0 451.368 0.176 20 30 JCEDRN Cc1cn([C@H]2C[C@H](NS(=O)(=O)c3ccc(Br)c(C#N)c3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001197338069 1069688195 /nfs/dbraw/zinc/68/81/95/1069688195.db2.gz SEIUMFOSFRSBBX-RRFJBIMHSA-N 0 0 485.316 0.518 20 30 JCEDRN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001197339234 1069688211 /nfs/dbraw/zinc/68/82/11/1069688211.db2.gz ACVYDWHHPOFVEK-DCAQKATOSA-N 0 0 489.348 0.170 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)ccc1Br ZINC001197339314 1069688151 /nfs/dbraw/zinc/68/81/51/1069688151.db2.gz DOEYRRUWUSKSCN-INIZCTEOSA-N 0 0 481.328 0.517 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)ccc1Br ZINC001197340142 1069688227 /nfs/dbraw/zinc/68/82/27/1069688227.db2.gz ILUKAOAJVRIWIW-IRXDYDNUSA-N 0 0 495.355 0.173 20 30 JCEDRN N#Cc1cc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)ccc1Br ZINC001197340176 1069688318 /nfs/dbraw/zinc/68/83/18/1069688318.db2.gz KVRIDKNDDPHUSD-INIZCTEOSA-N 0 0 481.328 0.517 20 30 JCEDRN N#Cc1cc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)ccc1Br ZINC001197340190 1069688220 /nfs/dbraw/zinc/68/82/20/1069688220.db2.gz LMEBWJLOPUHUGM-INIZCTEOSA-N 0 0 465.329 0.812 20 30 JCEDRN N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)ccc1Br ZINC001197340219 1069688366 /nfs/dbraw/zinc/68/83/66/1069688366.db2.gz OOVCIDXRIKVFBY-INIZCTEOSA-N 0 0 465.329 0.812 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)Cc3cccnc3)C2)n(Cc2ccccc2C#N)c1=O ZINC001197485194 1069691213 /nfs/dbraw/zinc/69/12/13/1069691213.db2.gz BVEJAMMRCNQDSI-OAQYLSRUSA-N 0 0 494.577 0.950 20 30 JCEDRN C[N@@H+]1CCCN(Cc2cccc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c2)CC1 ZINC001197528686 1069692764 /nfs/dbraw/zinc/69/27/64/1069692764.db2.gz AVSHHRLCPMZBDR-GOSISDBHSA-N 0 0 460.537 0.980 20 30 JCEDRN C[N@@H+]1CCCN(Cc2cccc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])c2)CC1 ZINC001197528687 1069692983 /nfs/dbraw/zinc/69/29/83/1069692983.db2.gz AVSHHRLCPMZBDR-SFHVURJKSA-N 0 0 460.537 0.980 20 30 JCEDRN COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1ncnc2NC(=S)Nc1cccc(C#N)c1 ZINC001197678929 1069702646 /nfs/dbraw/zinc/70/26/46/1069702646.db2.gz VMTPWKKBYDFVPX-WVSUBDOOSA-N 0 0 485.526 0.789 20 30 JCEDRN N#Cc1cccc(NC(=S)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001197679273 1069702449 /nfs/dbraw/zinc/70/24/49/1069702449.db2.gz ZRRRBLOQRRCPAP-XNIJJKJLSA-N 0 0 461.891 0.772 20 30 JCEDRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=S)Nc2cccc(C#N)c2)[C@H](O)[C@@H]1O ZINC001197683538 1069702544 /nfs/dbraw/zinc/70/25/44/1069702544.db2.gz WRTPDVXYZONRCK-QCUYGVNKSA-N 0 0 468.499 0.262 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)CC1 ZINC001197686442 1069703248 /nfs/dbraw/zinc/70/32/48/1069703248.db2.gz UFVGQINNAXLKEA-GASCZTMLSA-N 0 0 456.594 0.369 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)CC1 ZINC001197686443 1069703091 /nfs/dbraw/zinc/70/30/91/1069703091.db2.gz UFVGQINNAXLKEA-GJZGRUSLSA-N 0 0 456.594 0.369 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)CC1 ZINC001197686444 1069703126 /nfs/dbraw/zinc/70/31/26/1069703126.db2.gz UFVGQINNAXLKEA-HUUCEWRRSA-N 0 0 456.594 0.369 20 30 JCEDRN COCCn1cc(C(=O)N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)cnc1=O ZINC001197701809 1069703946 /nfs/dbraw/zinc/70/39/46/1069703946.db2.gz BLLBDUCQBQANQO-HSZRJFAPSA-N 0 0 452.515 0.916 20 30 JCEDRN COCCn1cc(C(=O)N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)cnc1=O ZINC001197701812 1069703987 /nfs/dbraw/zinc/70/39/87/1069703987.db2.gz BLLBDUCQBQANQO-QHCPKHFHSA-N 0 0 452.515 0.916 20 30 JCEDRN COCCn1cc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cnc1=O ZINC001197702183 1069703846 /nfs/dbraw/zinc/70/38/46/1069703846.db2.gz FKCXEILRKLPUFH-HSZRJFAPSA-N 0 0 467.482 0.036 20 30 JCEDRN COCCn1cc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cnc1=O ZINC001197702186 1069703831 /nfs/dbraw/zinc/70/38/31/1069703831.db2.gz FKCXEILRKLPUFH-QHCPKHFHSA-N 0 0 467.482 0.036 20 30 JCEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=S)Nc2cccc(C#N)c2)[C@H]1O ZINC001197739022 1069707216 /nfs/dbraw/zinc/70/72/16/1069707216.db2.gz QVOVHSHEFSDQDN-NPNMTCQASA-N 0 0 454.516 0.370 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cnc(=O)n(CC5CC5)c4)C3)OCC2=O)cc1 ZINC001197763516 1069706411 /nfs/dbraw/zinc/70/64/11/1069706411.db2.gz HYAGSKKJNHJMGU-DEOSSOPVSA-N 0 0 463.494 0.800 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cnc(=O)n(CC5CC5)c4)C3)OCC2=O)cc1 ZINC001197763517 1069706598 /nfs/dbraw/zinc/70/65/98/1069706598.db2.gz HYAGSKKJNHJMGU-XMMPIXPASA-N 0 0 463.494 0.800 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cnn(-c5ncccn5)c4)C3)OCC2=O)cc1 ZINC001197829723 1069709943 /nfs/dbraw/zinc/70/99/43/1069709943.db2.gz MCOYEAHYZWCMQJ-HSZRJFAPSA-N 0 0 459.466 0.809 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cnn(-c5ncccn5)c4)C3)OCC2=O)cc1 ZINC001197829732 1069710139 /nfs/dbraw/zinc/71/01/39/1069710139.db2.gz MCOYEAHYZWCMQJ-QHCPKHFHSA-N 0 0 459.466 0.809 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)Cc3ccccn3)C2)n(Cc2ccccc2C#N)c1=O ZINC001197849521 1069709147 /nfs/dbraw/zinc/70/91/47/1069709147.db2.gz ZIGZWPKVVPOEPM-HXUWFJFHSA-N 0 0 494.577 0.950 20 30 JCEDRN COCCNC(=S)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001197881590 1069711315 /nfs/dbraw/zinc/71/13/15/1069711315.db2.gz BLFSKVYLOCVHFZ-GOSISDBHSA-N 0 0 456.572 0.546 20 30 JCEDRN COCCNC(=S)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001197883604 1069711472 /nfs/dbraw/zinc/71/14/72/1069711472.db2.gz MRTNDPQSLGYKQX-GOSISDBHSA-N 0 0 474.562 0.685 20 30 JCEDRN Cc1ccc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1C#Cc1cnc2cccnn12 ZINC001197927279 1069713411 /nfs/dbraw/zinc/71/34/11/1069713411.db2.gz HAYYAYPOTVQUOP-UDRJHWLQSA-N 0 0 466.494 0.011 20 30 JCEDRN CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)c1 ZINC001197936534 1069714093 /nfs/dbraw/zinc/71/40/93/1069714093.db2.gz GQMUXIYLDVLCFK-UHFFFAOYSA-N 0 0 464.530 0.075 20 30 JCEDRN CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)N2CCN(c3nccnc3C#N)CC2)c1 ZINC001197938303 1069715480 /nfs/dbraw/zinc/71/54/80/1069715480.db2.gz IATRGOGBXYBECU-UHFFFAOYSA-N 0 0 463.542 0.715 20 30 JCEDRN CN(C)S(=O)(=O)c1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Cl ZINC001198071758 1069726590 /nfs/dbraw/zinc/72/65/90/1069726590.db2.gz KHQYYLSAAVUUOB-SJCJKPOMSA-N 0 0 460.965 0.399 20 30 JCEDRN COCCn1nc(C)cc1C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001198087483 1069726240 /nfs/dbraw/zinc/72/62/40/1069726240.db2.gz VYFAOEZORAHAOH-HSZRJFAPSA-N 0 0 453.499 0.984 20 30 JCEDRN COCCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001198087488 1069726155 /nfs/dbraw/zinc/72/61/55/1069726155.db2.gz VYFAOEZORAHAOH-QHCPKHFHSA-N 0 0 453.499 0.984 20 30 JCEDRN CN1CCN(c2cnccc2C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1 ZINC001198145830 1069728762 /nfs/dbraw/zinc/72/87/62/1069728762.db2.gz KPVIDERGKOSZAX-AREMUKBSSA-N 0 0 490.564 0.980 20 30 JCEDRN CN1CCN(c2cnccc2C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1 ZINC001198145831 1069728384 /nfs/dbraw/zinc/72/83/84/1069728384.db2.gz KPVIDERGKOSZAX-SANMLTNESA-N 0 0 490.564 0.980 20 30 JCEDRN N#C[C@]12CN(CCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001198336069 1069738544 /nfs/dbraw/zinc/73/85/44/1069738544.db2.gz AOGZHGOKFRNJEW-OXJNMPFZSA-N 0 0 466.585 0.670 20 30 JCEDRN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001198336967 1069738670 /nfs/dbraw/zinc/73/86/70/1069738670.db2.gz OFOHDCQOVIJGTH-YZVOILCLSA-N 0 0 454.574 0.570 20 30 JCEDRN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001198336968 1069738491 /nfs/dbraw/zinc/73/84/91/1069738491.db2.gz OFOHDCQOVIJGTH-ZRGWGRIASA-N 0 0 454.574 0.570 20 30 JCEDRN Cc1ncc(S(=O)(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)n1C ZINC001198391434 1069740755 /nfs/dbraw/zinc/74/07/55/1069740755.db2.gz NQHZUESCWQROIM-IRXDYDNUSA-N 0 0 482.582 0.973 20 30 JCEDRN Cc1ncc(S(=O)(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3ccccc3C#N)C2)n1C ZINC001198418199 1069742299 /nfs/dbraw/zinc/74/22/99/1069742299.db2.gz BCBMURHMUVSXCG-LJQANCHMSA-N 0 0 497.581 0.456 20 30 JCEDRN CCS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC001198479159 1069747677 /nfs/dbraw/zinc/74/76/77/1069747677.db2.gz NUQBGRGKFWJVGS-FQEVSTJZSA-N 0 0 451.568 0.938 20 30 JCEDRN CCS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC001198479160 1069747325 /nfs/dbraw/zinc/74/73/25/1069747325.db2.gz NUQBGRGKFWJVGS-HXUWFJFHSA-N 0 0 451.568 0.938 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cnc5ccccn5c4=O)C3)OCC2=O)cc1 ZINC001198535127 1069749774 /nfs/dbraw/zinc/74/97/74/1069749774.db2.gz UCVOQYVRBBBCMK-DEOSSOPVSA-N 0 0 459.462 0.841 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cnc5ccccn5c4=O)C3)OCC2=O)cc1 ZINC001198535130 1069749598 /nfs/dbraw/zinc/74/95/98/1069749598.db2.gz UCVOQYVRBBBCMK-XMMPIXPASA-N 0 0 459.462 0.841 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=S)NC1CCCC1)C(=O)OCC ZINC001198582641 1069754527 /nfs/dbraw/zinc/75/45/27/1069754527.db2.gz UMFZTWHSHLWQHD-GJZGRUSLSA-N 0 0 490.648 0.199 20 30 JCEDRN C=CS(=O)(=O)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001198599836 1069754409 /nfs/dbraw/zinc/75/44/09/1069754409.db2.gz XGIRJHWZWLCSGG-KRWDZBQOSA-N 0 0 473.559 0.836 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 ZINC001198630516 1069755481 /nfs/dbraw/zinc/75/54/81/1069755481.db2.gz DBGFYRPDZPWTTN-IENXAOORSA-N 0 0 458.562 0.513 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001198630517 1069755298 /nfs/dbraw/zinc/75/52/98/1069755298.db2.gz DBGFYRPDZPWTTN-JXLCAQNNSA-N 0 0 458.562 0.513 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 ZINC001198630518 1069755267 /nfs/dbraw/zinc/75/52/67/1069755267.db2.gz DBGFYRPDZPWTTN-WATITHJCSA-N 0 0 458.562 0.513 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001198630520 1069755433 /nfs/dbraw/zinc/75/54/33/1069755433.db2.gz DBGFYRPDZPWTTN-XZOUCZQKSA-N 0 0 458.562 0.513 20 30 JCEDRN CNC(=O)NC[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 ZINC001198630541 1069755514 /nfs/dbraw/zinc/75/55/14/1069755514.db2.gz DQSRMJRJXSHJOQ-ADSWHHSESA-N 0 0 452.537 0.661 20 30 JCEDRN CNC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 ZINC001198630543 1069755527 /nfs/dbraw/zinc/75/55/27/1069755527.db2.gz DQSRMJRJXSHJOQ-JRCVOMKHSA-N 0 0 452.537 0.661 20 30 JCEDRN CNC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 ZINC001198630544 1069755562 /nfs/dbraw/zinc/75/55/62/1069755562.db2.gz DQSRMJRJXSHJOQ-UBJVEFMGSA-N 0 0 452.537 0.661 20 30 JCEDRN CNC(=O)NC[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 ZINC001198630546 1069755390 /nfs/dbraw/zinc/75/53/90/1069755390.db2.gz DQSRMJRJXSHJOQ-WSRQSJKRSA-N 0 0 452.537 0.661 20 30 JCEDRN CO[C@]1(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCS(=O)(=O)C1 ZINC001198631166 1069755413 /nfs/dbraw/zinc/75/54/13/1069755413.db2.gz JEPPQKOYRWFWRN-RWZYYMRUSA-N 0 0 458.562 0.825 20 30 JCEDRN CO[C@]1(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCS(=O)(=O)C1 ZINC001198631167 1069755315 /nfs/dbraw/zinc/75/53/15/1069755315.db2.gz JEPPQKOYRWFWRN-SAGAUJLNSA-N 0 0 458.562 0.825 20 30 JCEDRN CO[C@@]1(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCS(=O)(=O)C1 ZINC001198631168 1069755634 /nfs/dbraw/zinc/75/56/34/1069755634.db2.gz JEPPQKOYRWFWRN-TVJQZGFISA-N 0 0 458.562 0.825 20 30 JCEDRN CO[C@@]1(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCS(=O)(=O)C1 ZINC001198631169 1069755497 /nfs/dbraw/zinc/75/54/97/1069755497.db2.gz JEPPQKOYRWFWRN-WKSXIXGESA-N 0 0 458.562 0.825 20 30 JCEDRN C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCN1S(C)(=O)=O ZINC001198631628 1069755454 /nfs/dbraw/zinc/75/54/54/1069755454.db2.gz SGGBDCRRMLTDEN-SHUBJWRZSA-N 0 0 457.578 0.997 20 30 JCEDRN C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCN1S(C)(=O)=O ZINC001198631629 1069755544 /nfs/dbraw/zinc/75/55/44/1069755544.db2.gz SGGBDCRRMLTDEN-UXPDKRSESA-N 0 0 457.578 0.997 20 30 JCEDRN CNC(=O)NC[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 ZINC001198656048 1069756879 /nfs/dbraw/zinc/75/68/79/1069756879.db2.gz JEOJFKKNDGGFCS-ADSWHHSESA-N 0 0 452.537 0.661 20 30 JCEDRN CNC(=O)NC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 ZINC001198656049 1069757070 /nfs/dbraw/zinc/75/70/70/1069757070.db2.gz JEOJFKKNDGGFCS-JRCVOMKHSA-N 0 0 452.537 0.661 20 30 JCEDRN CNC(=O)NC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 ZINC001198656050 1069757189 /nfs/dbraw/zinc/75/71/89/1069757189.db2.gz JEOJFKKNDGGFCS-UBJVEFMGSA-N 0 0 452.537 0.661 20 30 JCEDRN CNC(=O)NC[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 ZINC001198656051 1069757086 /nfs/dbraw/zinc/75/70/86/1069757086.db2.gz JEOJFKKNDGGFCS-WSRQSJKRSA-N 0 0 452.537 0.661 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001198656359 1069757176 /nfs/dbraw/zinc/75/71/76/1069757176.db2.gz KTKBLJLSHVZNOD-GICLCMKGSA-N 0 0 457.578 0.902 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001198656360 1069756920 /nfs/dbraw/zinc/75/69/20/1069756920.db2.gz KTKBLJLSHVZNOD-HGNXGAGXSA-N 0 0 457.578 0.902 20 30 JCEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001198656361 1069756862 /nfs/dbraw/zinc/75/68/62/1069756862.db2.gz KTKBLJLSHVZNOD-LQFHHUIYSA-N 0 0 457.578 0.902 20 30 JCEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001198656362 1069757108 /nfs/dbraw/zinc/75/71/08/1069757108.db2.gz KTKBLJLSHVZNOD-NNLSSIJJSA-N 0 0 457.578 0.902 20 30 JCEDRN COCCn1c(=O)cccc1C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001198688051 1069762223 /nfs/dbraw/zinc/76/22/23/1069762223.db2.gz CYQMUTARFNFQEP-DEOSSOPVSA-N 0 0 466.494 0.641 20 30 JCEDRN COCCn1c(=O)cccc1C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001198688059 1069761952 /nfs/dbraw/zinc/76/19/52/1069761952.db2.gz CYQMUTARFNFQEP-XMMPIXPASA-N 0 0 466.494 0.641 20 30 JCEDRN COCNC(=S)N(CC(=O)N1CCC[C@H]1C#N)C(C)(C)CNC(=O)c1cnc2cc(C)nn2c1 ZINC001198824457 1069767694 /nfs/dbraw/zinc/76/76/94/1069767694.db2.gz JWCPKCZXYWHVOV-KRWDZBQOSA-N 0 0 486.602 0.841 20 30 JCEDRN COCCn1cc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccc1=O ZINC001198828091 1069767547 /nfs/dbraw/zinc/76/75/47/1069767547.db2.gz BUNHXJNSVZSNNY-DEOSSOPVSA-N 0 0 466.494 0.641 20 30 JCEDRN COCCn1cc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)ccc1=O ZINC001198828095 1069767446 /nfs/dbraw/zinc/76/74/46/1069767446.db2.gz BUNHXJNSVZSNNY-XMMPIXPASA-N 0 0 466.494 0.641 20 30 JCEDRN COCNC(=S)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2cc(F)ccc2C#N)C1 ZINC001198862706 1069770573 /nfs/dbraw/zinc/77/05/73/1069770573.db2.gz CGOAXWCZXCCFML-QGZVFWFLSA-N 0 0 460.535 0.643 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cnc(=O)n(C5CCOCC5)c4)C3)OCC2=O)cc1 ZINC001198888573 1069773790 /nfs/dbraw/zinc/77/37/90/1069773790.db2.gz PLGCUSFQGUZJTH-RUZDIDTESA-N 0 0 493.520 0.741 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cnc(=O)n(C5CCOCC5)c4)C3)OCC2=O)cc1 ZINC001198888589 1069773762 /nfs/dbraw/zinc/77/37/62/1069773762.db2.gz PLGCUSFQGUZJTH-VWLOTQADSA-N 0 0 493.520 0.741 20 30 JCEDRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2)CC1 ZINC001198922934 1069776488 /nfs/dbraw/zinc/77/64/88/1069776488.db2.gz KSGKFCUPINQPLW-KXBFYZLASA-N 0 0 467.573 0.025 20 30 JCEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001198957928 1069778798 /nfs/dbraw/zinc/77/87/98/1069778798.db2.gz PSIFOKBPVIMWBN-HNNXBMFYSA-N 0 0 456.546 0.623 20 30 JCEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001198957933 1069778758 /nfs/dbraw/zinc/77/87/58/1069778758.db2.gz PSIFOKBPVIMWBN-OAHLLOKOSA-N 0 0 456.546 0.623 20 30 JCEDRN C#CCOCCOCCNS(=O)(=O)c1cc(NC(=O)N2CCOCC2)ccc1OCC ZINC001199018094 1069783073 /nfs/dbraw/zinc/78/30/73/1069783073.db2.gz PDQOIWVKKWKDGR-UHFFFAOYSA-N 0 0 455.533 0.894 20 30 JCEDRN COCCOc1cnc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cn1 ZINC001199126307 1069798238 /nfs/dbraw/zinc/79/82/38/1069798238.db2.gz NCNLGCSSRSZTBQ-HSZRJFAPSA-N 0 0 467.482 0.648 20 30 JCEDRN COCCOc1cnc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cn1 ZINC001199126308 1069798303 /nfs/dbraw/zinc/79/83/03/1069798303.db2.gz NCNLGCSSRSZTBQ-QHCPKHFHSA-N 0 0 467.482 0.648 20 30 JCEDRN COCCOc1ccnc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)n1 ZINC001199193394 1069805701 /nfs/dbraw/zinc/80/57/01/1069805701.db2.gz TYDNZXIFCNFQIW-HSZRJFAPSA-N 0 0 467.482 0.648 20 30 JCEDRN COCCOc1ccnc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)n1 ZINC001199193396 1069806001 /nfs/dbraw/zinc/80/60/01/1069806001.db2.gz TYDNZXIFCNFQIW-QHCPKHFHSA-N 0 0 467.482 0.648 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccc(O)c(=O)[nH]3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001199200799 1069805624 /nfs/dbraw/zinc/80/56/24/1069805624.db2.gz HVLMFKZYVGGTMF-QGZVFWFLSA-N 0 0 494.483 0.811 20 30 JCEDRN CC(C)n1cc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cnc1=O ZINC001199245164 1069809259 /nfs/dbraw/zinc/80/92/59/1069809259.db2.gz YQIIPLXRWRBBRV-HSZRJFAPSA-N 0 0 451.483 0.970 20 30 JCEDRN CC(C)n1cc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cnc1=O ZINC001199245167 1069809435 /nfs/dbraw/zinc/80/94/35/1069809435.db2.gz YQIIPLXRWRBBRV-QHCPKHFHSA-N 0 0 451.483 0.970 20 30 JCEDRN COCCOc1ncc(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cn1 ZINC001199249920 1069809568 /nfs/dbraw/zinc/80/95/68/1069809568.db2.gz FAHCKDGTHHJTHN-HSZRJFAPSA-N 0 0 467.482 0.648 20 30 JCEDRN COCCOc1ncc(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)cn1 ZINC001199249921 1069809047 /nfs/dbraw/zinc/80/90/47/1069809047.db2.gz FAHCKDGTHHJTHN-QHCPKHFHSA-N 0 0 467.482 0.648 20 30 JCEDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001199261412 1069811337 /nfs/dbraw/zinc/81/13/37/1069811337.db2.gz ZUPUBCIYZYDYHC-HRAATJIYSA-N 0 0 461.544 0.485 20 30 JCEDRN COc1nccc(C(=O)N[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3Cc3cc(F)ccc3C#N)C2)n1 ZINC001199324062 1069819517 /nfs/dbraw/zinc/81/95/17/1069819517.db2.gz BJGBELRRQZHNOX-GOSISDBHSA-N 0 0 493.499 0.803 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cc(N5CCCNC5=O)ncn4)C3)OCC2=O)cc1 ZINC001199423077 1069824618 /nfs/dbraw/zinc/82/46/18/1069824618.db2.gz BASABASEFKDKST-DEOSSOPVSA-N 0 0 491.508 0.543 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cc(N5CCCNC5=O)ncn4)C3)OCC2=O)cc1 ZINC001199423078 1069824790 /nfs/dbraw/zinc/82/47/90/1069824790.db2.gz BASABASEFKDKST-XMMPIXPASA-N 0 0 491.508 0.543 20 30 JCEDRN COc1nc(C(=NC(=O)c2cc(N3CCCNC3=O)ncn2)NO)ccc1-n1cnc(C)c1 ZINC001199427318 1069828404 /nfs/dbraw/zinc/82/84/04/1069828404.db2.gz GLGDINPOZKDYAU-UHFFFAOYSA-N 0 0 451.447 0.860 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4cn(-c5ncccn5)cn4)C3)OCC2=O)cc1 ZINC001199553932 1069839204 /nfs/dbraw/zinc/83/92/04/1069839204.db2.gz YBUNRDDEDSNZFR-HSZRJFAPSA-N 0 0 459.466 0.809 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cn(-c5ncccn5)cn4)C3)OCC2=O)cc1 ZINC001199553933 1069839788 /nfs/dbraw/zinc/83/97/88/1069839788.db2.gz YBUNRDDEDSNZFR-QHCPKHFHSA-N 0 0 459.466 0.809 20 30 JCEDRN N#Cc1cnc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)cn1 ZINC001199664170 1069850450 /nfs/dbraw/zinc/85/04/50/1069850450.db2.gz CVMTXHBJDMYIIC-SBUREZEXSA-N 0 0 462.514 0.356 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@H](CN=c2c(Cl)c(N)ncn2C(=O)c2cnc(C#N)cn2)[C@@H](O)C1 ZINC001199665807 1069850385 /nfs/dbraw/zinc/85/03/85/1069850385.db2.gz XFDLEQNAWGMCFK-DOMZBBRYSA-N 0 0 488.936 0.987 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@H](CN=c2c(Cl)c(N)ncn2C(=O)c2cnc(C#N)cn2)[C@H](O)C1 ZINC001199665812 1069850428 /nfs/dbraw/zinc/85/04/28/1069850428.db2.gz XFDLEQNAWGMCFK-IUODEOHRSA-N 0 0 488.936 0.987 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@@H](CN=c2c(Cl)c(N)ncn2C(=O)c2cnc(C#N)cn2)[C@H](O)C1 ZINC001199665815 1069850322 /nfs/dbraw/zinc/85/03/22/1069850322.db2.gz XFDLEQNAWGMCFK-SWLSCSKDSA-N 0 0 488.936 0.987 20 30 JCEDRN CC(C)(C)OC(=O)N1CC[C@@H](CN=c2c(Cl)c(N)ncn2C(=O)c2cnc(C#N)cn2)[C@@H](O)C1 ZINC001199665818 1069850363 /nfs/dbraw/zinc/85/03/63/1069850363.db2.gz XFDLEQNAWGMCFK-WFASDCNBSA-N 0 0 488.936 0.987 20 30 JCEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3cnc(C#N)cn3)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001199669778 1069850511 /nfs/dbraw/zinc/85/05/11/1069850511.db2.gz UHUSOAVLYRVGCU-GOSISDBHSA-N 0 0 488.483 0.667 20 30 JCEDRN N#Cc1ccc(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)[nH]1 ZINC001199680504 1069850743 /nfs/dbraw/zinc/85/07/43/1069850743.db2.gz QYZAIMKHOLXEQK-HKUYNNGSSA-N 0 0 484.511 0.949 20 30 JCEDRN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC001199682028 1069851082 /nfs/dbraw/zinc/85/10/82/1069851082.db2.gz BKOXPOKZBDFWKL-XLBJILASSA-N 0 0 479.449 0.371 20 30 JCEDRN C=CCSc1ncccc1C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001199739344 1069853387 /nfs/dbraw/zinc/85/33/87/1069853387.db2.gz FSDAVFBMTDUOFK-ZZNFZSSBSA-N 0 0 471.543 0.615 20 30 JCEDRN CCOC(=O)[C@H](C)NC(=S)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001199857438 1069859192 /nfs/dbraw/zinc/85/91/92/1069859192.db2.gz FHGNTQUPUVETGJ-QFBILLFUSA-N 0 0 498.609 0.851 20 30 JCEDRN CCOC(=O)[C@@H](C)NC(=S)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001199857439 1069859357 /nfs/dbraw/zinc/85/93/57/1069859357.db2.gz FHGNTQUPUVETGJ-VQIMIIECSA-N 0 0 498.609 0.851 20 30 JCEDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001199872603 1069863269 /nfs/dbraw/zinc/86/32/69/1069863269.db2.gz NINNXIRLWQJPDU-HTAPYJJXSA-N 0 0 474.587 0.299 20 30 JCEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2C)CC1 ZINC001199904477 1069862788 /nfs/dbraw/zinc/86/27/88/1069862788.db2.gz KLLQTIHMHDSSFR-UHFFFAOYSA-N 0 0 457.578 0.764 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=S)Nc1cccnc1)C(=O)OCC ZINC001199912961 1069867963 /nfs/dbraw/zinc/86/79/63/1069867963.db2.gz YWJHODBOUJHOTM-GJZGRUSLSA-N 0 0 499.615 0.174 20 30 JCEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=S)NCCCN4CCOCC4)C3)OCC2=O)cc1 ZINC001199943603 1069865693 /nfs/dbraw/zinc/86/56/93/1069865693.db2.gz LVFRPPMMXAVBLS-HSZRJFAPSA-N 0 0 473.599 0.589 20 30 JCEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=S)NCCCN4CCOCC4)C3)OCC2=O)cc1 ZINC001199943618 1069865738 /nfs/dbraw/zinc/86/57/38/1069865738.db2.gz LVFRPPMMXAVBLS-QHCPKHFHSA-N 0 0 473.599 0.589 20 30 JCEDRN COC(=O)CCNC(=S)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001199991608 1069871645 /nfs/dbraw/zinc/87/16/45/1069871645.db2.gz DGSYWQGWAKWYOT-HOTGVXAUSA-N 0 0 469.583 0.980 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=S)NC(C)(C)C)C(=O)OCC ZINC001200917571 1069874603 /nfs/dbraw/zinc/87/46/03/1069874603.db2.gz QLPUUKWQQGOTGO-STQMWFEESA-N 0 0 478.637 0.055 20 30 JCEDRN N#Cc1ccc(NC(=S)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)c(Br)c1 ZINC001201135909 1069877149 /nfs/dbraw/zinc/87/71/49/1069877149.db2.gz PFMSTNIJBQSPFZ-NMFUWQPSSA-N 0 0 482.316 0.189 20 30 JCEDRN Cc1cn(CC(=O)NCCNC(=S)Nc2ccc(C#N)cc2Br)c(=O)[nH]c1=O ZINC001201136380 1069876933 /nfs/dbraw/zinc/87/69/33/1069876933.db2.gz TWIPFDJCUTVVFG-UHFFFAOYSA-N 0 0 465.333 0.994 20 30 JCEDRN CCOC(=O)CNC(=O)CNC(=O)CNC(=S)Nc1ccc(C#N)cc1Br ZINC001201136592 1069877432 /nfs/dbraw/zinc/87/74/32/1069877432.db2.gz XBPLMYWDACJTBZ-UHFFFAOYSA-N 0 0 456.322 0.403 20 30 JCEDRN N#Cc1ccc(NC(=S)NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)c(Br)c1 ZINC001201136886 1069877457 /nfs/dbraw/zinc/87/74/57/1069877457.db2.gz NMPDVXCUQNZBHH-ZDUSSCGKSA-N 0 0 467.349 0.200 20 30 JCEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001201298294 1069885248 /nfs/dbraw/zinc/88/52/48/1069885248.db2.gz LILLXNXRGFDSCX-HNNXBMFYSA-N 0 0 459.521 0.504 20 30 JCEDRN C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001201298296 1069885741 /nfs/dbraw/zinc/88/57/41/1069885741.db2.gz LILLXNXRGFDSCX-OAHLLOKOSA-N 0 0 459.521 0.504 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1C#N ZINC001201302173 1069885351 /nfs/dbraw/zinc/88/53/51/1069885351.db2.gz JVWPNDCYICCUMA-GUDVDZBRSA-N 0 0 467.569 0.149 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1C#N ZINC001201302174 1069885223 /nfs/dbraw/zinc/88/52/23/1069885223.db2.gz JVWPNDCYICCUMA-IPMKNSEASA-N 0 0 467.569 0.149 20 30 JCEDRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(S(=O)(=O)c1ccc(C)c(C#N)c1)C2 ZINC001201302419 1069885715 /nfs/dbraw/zinc/88/57/15/1069885715.db2.gz OSOXCXHQZPLMKI-NRFANRHFSA-N 0 0 456.528 0.629 20 30 JCEDRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(S(=O)(=O)c1ccc(C)c(C#N)c1)C2 ZINC001201302420 1069885425 /nfs/dbraw/zinc/88/54/25/1069885425.db2.gz OSOXCXHQZPLMKI-OAQYLSRUSA-N 0 0 456.528 0.629 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)cc1C#N ZINC001201303229 1069885660 /nfs/dbraw/zinc/88/56/60/1069885660.db2.gz FSNVKIXJTZNHNM-UHFFFAOYSA-N 0 0 481.538 0.682 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)cc1C#N ZINC001201303558 1069885373 /nfs/dbraw/zinc/88/53/73/1069885373.db2.gz OCANHBJLTJMCCB-UHFFFAOYSA-N 0 0 453.528 0.974 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCc3ncc(CNC(=O)c4cnn(C)c4)n3CC2)cc1C#N ZINC001201303663 1069886372 /nfs/dbraw/zinc/88/63/72/1069886372.db2.gz QGAOLIUDJVEAPA-UHFFFAOYSA-N 0 0 453.528 0.974 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)cc1C#N ZINC001201304043 1069886220 /nfs/dbraw/zinc/88/62/20/1069886220.db2.gz MLIGBOSLVOBBKO-NRFANRHFSA-N 0 0 480.612 0.761 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)cc1C#N ZINC001201304055 1069886544 /nfs/dbraw/zinc/88/65/44/1069886544.db2.gz MLIGBOSLVOBBKO-OAQYLSRUSA-N 0 0 480.612 0.761 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)cc1C#N ZINC001201304163 1069886520 /nfs/dbraw/zinc/88/65/20/1069886520.db2.gz YPIAKJJWWNSUSL-CRAIPNDOSA-N 0 0 454.574 0.370 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1C#N ZINC001201304636 1069886163 /nfs/dbraw/zinc/88/61/63/1069886163.db2.gz YXUQJTSYVMCCFB-RBUKOAKNSA-N 0 0 489.579 0.578 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1C#N ZINC001201310410 1069886340 /nfs/dbraw/zinc/88/63/40/1069886340.db2.gz PQWURJKPYUBLBA-ROUUACIJSA-N 0 0 463.560 0.152 20 30 JCEDRN Cc1ccc(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1C#N ZINC001201323415 1069885983 /nfs/dbraw/zinc/88/59/83/1069885983.db2.gz DFDZLPSUKFBOBD-CXQPBAHBSA-N 0 0 466.537 0.560 20 30 JCEDRN Cc1ccc(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)cc1C#N ZINC001201323416 1069886187 /nfs/dbraw/zinc/88/61/87/1069886187.db2.gz DFDZLPSUKFBOBD-DEPCRRQNSA-N 0 0 466.537 0.560 20 30 JCEDRN Cc1ccc(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)cc1C#N ZINC001201323417 1069886459 /nfs/dbraw/zinc/88/64/59/1069886459.db2.gz DFDZLPSUKFBOBD-IVDHNXQLSA-N 0 0 466.537 0.560 20 30 JCEDRN Cc1ccc(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cc1C#N ZINC001201323418 1069886115 /nfs/dbraw/zinc/88/61/15/1069886115.db2.gz DFDZLPSUKFBOBD-RMMWZPCPSA-N 0 0 466.537 0.560 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1C#N ZINC001201332120 1069885768 /nfs/dbraw/zinc/88/57/68/1069885768.db2.gz JSVADQMCKHJXSY-LNLFQRSKSA-N 0 0 465.601 0.987 20 30 JCEDRN Cc1ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCO)cc1C#N ZINC001201332842 1069887887 /nfs/dbraw/zinc/88/78/87/1069887887.db2.gz ZQZUZANOCJMTHI-UHFFFAOYSA-N 0 0 460.549 0.220 20 30 JCEDRN COCCOCCOCCOCCOCCOCCNS(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201334646 1069888792 /nfs/dbraw/zinc/88/87/92/1069888792.db2.gz DBMBZKMVGNDPTO-UHFFFAOYSA-N 0 0 474.576 0.874 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1ccc(C)c(C#N)c1)C(N)=O ZINC001201335397 1069888769 /nfs/dbraw/zinc/88/87/69/1069888769.db2.gz RPXICQCSYUOAKU-ROUUACIJSA-N 0 0 497.643 0.399 20 30 JCEDRN CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001201398415 1069890128 /nfs/dbraw/zinc/89/01/28/1069890128.db2.gz NHDOFNCRWCORFT-JKMAKKBCSA-N 0 0 475.523 0.590 20 30 JCEDRN CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N[C@@H](C)C(=O)NCC(N)=O ZINC001201399031 1069890279 /nfs/dbraw/zinc/89/02/79/1069890279.db2.gz ANSZUZGCEONFEV-ZDUSSCGKSA-N 0 0 473.511 0.478 20 30 JCEDRN CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)NCC(=O)NCC(=O)OC ZINC001201399335 1069889888 /nfs/dbraw/zinc/88/98/88/1069889888.db2.gz DTVIZFURLPJCII-UHFFFAOYSA-N 0 0 474.495 0.777 20 30 JCEDRN CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)OC ZINC001201400202 1069890047 /nfs/dbraw/zinc/89/00/47/1069890047.db2.gz KRWJXEWOQVUPOC-MRXNPFEDSA-N 0 0 474.495 0.905 20 30 JCEDRN CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001201401522 1069889974 /nfs/dbraw/zinc/88/99/74/1069889974.db2.gz HHHLXPWAAWTTJP-KBPBESRZSA-N 0 0 487.538 0.866 20 30 JCEDRN CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N[C@@H](CC(N)=O)C(N)=O ZINC001201401553 1069890259 /nfs/dbraw/zinc/89/02/59/1069890259.db2.gz HQLSFQDXHPTNDA-HNNXBMFYSA-N 0 0 459.484 0.217 20 30 JCEDRN CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)NCC(=O)NCC(N)=O ZINC001201401786 1069890335 /nfs/dbraw/zinc/89/03/35/1069890335.db2.gz MZJHYTCTXKRLPQ-UHFFFAOYSA-N 0 0 459.484 0.089 20 30 JCEDRN COC(=O)c1cncc(S(=O)(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1 ZINC001201845082 1069916396 /nfs/dbraw/zinc/91/63/96/1069916396.db2.gz DPDHRNWPDMRLNY-JOCHJYFZSA-N 0 0 486.506 0.563 20 30 JCEDRN COC(=O)c1cncc(S(=O)(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)c1 ZINC001201845083 1069916439 /nfs/dbraw/zinc/91/64/39/1069916439.db2.gz DPDHRNWPDMRLNY-QFIPXVFZSA-N 0 0 486.506 0.563 20 30 JCEDRN COC(=O)CCCS(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001201906640 1069924106 /nfs/dbraw/zinc/92/41/06/1069924106.db2.gz QVNAHZNKAUBKLY-FQEVSTJZSA-N 0 0 451.501 0.275 20 30 JCEDRN COC(=O)CCCS(=O)(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001201906641 1069924132 /nfs/dbraw/zinc/92/41/32/1069924132.db2.gz QVNAHZNKAUBKLY-HXUWFJFHSA-N 0 0 451.501 0.275 20 30 JCEDRN COC(=O)CCCS(=O)(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C)(C)CC(=O)N1CCCC1 ZINC001201910519 1069924595 /nfs/dbraw/zinc/92/45/95/1069924595.db2.gz NZRPTLICMXLJPG-IRXDYDNUSA-N 0 0 488.582 0.825 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Nc1ccccc1)C(=O)OCC ZINC001201962258 1069926223 /nfs/dbraw/zinc/92/62/23/1069926223.db2.gz UIHWSRJYDDGBSL-HOTGVXAUSA-N 0 0 482.559 0.614 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Nc1ccccc1C)C(=O)OCC ZINC001202190905 1069928053 /nfs/dbraw/zinc/92/80/53/1069928053.db2.gz CKCKNMKMAFWBEP-IRXDYDNUSA-N 0 0 496.586 0.922 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)OCC ZINC001202323508 1069928994 /nfs/dbraw/zinc/92/89/94/1069928994.db2.gz WDISDMSLKFIGJR-IRXDYDNUSA-N 0 0 496.586 0.922 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)OCC ZINC001202441492 1069930742 /nfs/dbraw/zinc/93/07/42/1069930742.db2.gz AOPQHLWQTITEGB-IRXDYDNUSA-N 0 0 496.586 0.922 20 30 JCEDRN CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1O ZINC001202537180 1070258531 /nfs/dbraw/zinc/25/85/31/1070258531.db2.gz FQHAWVIPYWAOFR-NVQRDWNXSA-N 0 0 492.514 0.301 20 30 JCEDRN C=CCNC(=O)Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC001202559222 1070322658 /nfs/dbraw/zinc/32/26/58/1070322658.db2.gz ZKUKCMZKWPTDCZ-SCFUHWHPSA-N 0 0 494.436 0.597 20 30 JCEDRN C=CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC001202559387 1070322617 /nfs/dbraw/zinc/32/26/17/1070322617.db2.gz SLZOUDXYAGBNEL-NVQRDWNXSA-N 0 0 476.446 0.458 20 30 JCEDRN C=CCNC(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001202562314 1070322303 /nfs/dbraw/zinc/32/23/03/1070322303.db2.gz IXFMOMVBLOXKCV-OUAUKWLOSA-N 0 0 459.244 0.984 20 30 JCEDRN C=CCNC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001202577664 1070323573 /nfs/dbraw/zinc/32/35/73/1070323573.db2.gz FKLDSNRNRDDXRG-BQFCYCMXSA-N 0 0 457.597 0.347 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)NC1CCCCC1)C(=O)OCC ZINC001202623356 1070325712 /nfs/dbraw/zinc/32/57/12/1070325712.db2.gz QKHOYVARFKZIJJ-HOTGVXAUSA-N 0 0 488.607 0.424 20 30 JCEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)NCc1ccccc1)C(=O)OCC ZINC001202643066 1070327725 /nfs/dbraw/zinc/32/77/25/1070327725.db2.gz ZGAJCVSLHFZFKM-IRXDYDNUSA-N 0 0 496.586 0.292 20 30 JCEDRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=O)Nc2cccc(C#N)c2)[C@H](O)[C@@H]1O ZINC001202779613 1070494340 /nfs/dbraw/zinc/49/43/40/1070494340.db2.gz SOYJRLIMVPPJGA-QCUYGVNKSA-N 0 0 452.431 0.097 20 30 JCEDRN N#Cc1cccc(NC(=O)Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001202780011 1070494191 /nfs/dbraw/zinc/49/41/91/1070494191.db2.gz QPBYVOUVCOFQKX-XNIJJKJLSA-N 0 0 490.274 0.716 20 30 JCEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001202794434 1070761080 /nfs/dbraw/zinc/76/10/80/1070761080.db2.gz VNQJAGXYIYFOHO-PFAUGDHASA-N 0 0 491.453 0.763 20 30 JCEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC001202799160 1070763318 /nfs/dbraw/zinc/76/33/18/1070763318.db2.gz ZNBUMDPJXDQKIR-IRXDYDNUSA-N 0 0 462.576 0.934 20 30 JCEDRN Cc1cc2ncc(C(=O)NCC(C)(C)N(CC(=O)N(C)C)CC(=O)N3CCC[C@H]3C#N)cn2n1 ZINC001203018467 1071322794 /nfs/dbraw/zinc/32/27/94/1071322794.db2.gz HVDSOEDWYAHYNY-SFHVURJKSA-N 0 0 468.562 0.451 20 30 JCEDRN N#Cc1ccccc1Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001210737857 1067745538 /nfs/dbraw/zinc/74/55/38/1067745538.db2.gz UPQUYOMFLYCXJG-XNIJJKJLSA-N 0 0 494.249 0.658 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC001211208984 1067754682 /nfs/dbraw/zinc/75/46/82/1067754682.db2.gz ILCSGZKLKGDPGI-GOSISDBHSA-N 0 0 457.574 0.418 20 30 JCEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC001211208985 1067754857 /nfs/dbraw/zinc/75/48/57/1067754857.db2.gz ILCSGZKLKGDPGI-SFHVURJKSA-N 0 0 457.574 0.418 20 30 JCEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC001211528185 1067795701 /nfs/dbraw/zinc/79/57/01/1067795701.db2.gz GQHJQIPWLBKQKK-UHFFFAOYSA-N 0 0 458.422 0.228 20 30 JCEDRN Cc1nn(C)c(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)c1C#N ZINC001211535989 1067801034 /nfs/dbraw/zinc/80/10/34/1067801034.db2.gz JBYQUWZPZDWHPW-UHFFFAOYSA-N 0 0 452.562 0.031 20 30 JCEDRN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001211536287 1067802338 /nfs/dbraw/zinc/80/23/38/1067802338.db2.gz MSDFBUFCUCGRMK-UHFFFAOYSA-N 0 0 452.562 0.409 20 30 JCEDRN COC(=O)C1(NS(=O)(=O)c2cc(Br)ccc2C#N)CCS(=O)(=O)CC1 ZINC001211644417 1067927682 /nfs/dbraw/zinc/92/76/82/1067927682.db2.gz WNBPRDZWOQBZCZ-UHFFFAOYSA-N 0 0 451.320 0.719 20 30 JCEDRN C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OC ZINC001211664786 1068031619 /nfs/dbraw/zinc/03/16/19/1068031619.db2.gz WWCFFOMCUMIFFB-GFCCVEGCSA-N 0 0 456.336 0.875 20 30 JCEDRN C=CCOC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OC ZINC001211664787 1068031836 /nfs/dbraw/zinc/03/18/36/1068031836.db2.gz WWCFFOMCUMIFFB-LBPRGKRZSA-N 0 0 456.336 0.875 20 30 JCEDRN CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC001211936602 1069948211 /nfs/dbraw/zinc/94/82/11/1069948211.db2.gz ADJPWBJFQBKHIR-UHFFFAOYSA-N 0 0 451.368 0.870 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)CC1 ZINC001212216919 1068175561 /nfs/dbraw/zinc/17/55/61/1068175561.db2.gz HPQKVVQPPVWGAQ-UHFFFAOYSA-N 0 0 454.618 0.509 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC001212217341 1068175500 /nfs/dbraw/zinc/17/55/00/1068175500.db2.gz UBMGGYHUURDWEI-INIZCTEOSA-N 0 0 455.964 0.811 20 30 JCEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC001212217342 1068175353 /nfs/dbraw/zinc/17/53/53/1068175353.db2.gz UBMGGYHUURDWEI-MRXNPFEDSA-N 0 0 455.964 0.811 20 30 JCEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001212340868 1069139204 /nfs/dbraw/zinc/13/92/04/1069139204.db2.gz HHJFEGQFHKERKF-UHFFFAOYSA-N 0 0 454.574 0.916 20 30 JCEDRN CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001212420895 1069462476 /nfs/dbraw/zinc/46/24/76/1069462476.db2.gz LDNKLUXBOOOCIR-UHFFFAOYSA-N 0 0 452.562 0.339 20 30 JCEDRN N#CC1CCC(=Nc2nc(I)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001212855852 1070497981 /nfs/dbraw/zinc/49/79/81/1070497981.db2.gz DYZXQQWMBUNYPC-PUKDQBJRSA-N 0 0 498.281 0.662 20 30 JCEDRN N#CC1CCC(=Nc2nc(I)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001212855853 1070498107 /nfs/dbraw/zinc/49/81/07/1070498107.db2.gz DYZXQQWMBUNYPC-TXRSOIPOSA-N 0 0 498.281 0.662 20 30 JCEDRN N#CC1CCC(=Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001212856961 1070498137 /nfs/dbraw/zinc/49/81/37/1070498137.db2.gz XOXUTHHVIFSJSH-PUKDQBJRSA-N 0 0 451.281 0.820 20 30 JCEDRN N#CC1CCC(=Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001212856962 1070499020 /nfs/dbraw/zinc/49/90/20/1070499020.db2.gz XOXUTHHVIFSJSH-TXRSOIPOSA-N 0 0 451.281 0.820 20 30 JCEDRN CCN(CCC#N)S(=O)(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC001213318296 1070767415 /nfs/dbraw/zinc/76/74/15/1070767415.db2.gz CRQGWOCVLQCPBA-UHFFFAOYSA-N 0 0 450.306 0.684 20 30 JCEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001266353977 1067694536 /nfs/dbraw/zinc/69/45/36/1067694536.db2.gz JDAGHPSOTPXDPH-QGZVFWFLSA-N 0 0 454.574 0.499 20 30 JCEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC2(C#N)CCN(C)CC2)c1OC ZINC001267212690 1067840948 /nfs/dbraw/zinc/84/09/48/1067840948.db2.gz SAPJABRYOZSVKS-UHFFFAOYSA-N 0 0 452.533 0.442 20 30 JCEDRN Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1C#N ZINC001269303478 1068413470 /nfs/dbraw/zinc/41/34/70/1068413470.db2.gz QVPCWISVGYZOEE-UHFFFAOYSA-N 0 0 458.544 0.584 20 30 JCEDRN N#CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001271771076 1069776012 /nfs/dbraw/zinc/77/60/12/1069776012.db2.gz GXPVJLQTFSFFMW-UHFFFAOYSA-N 0 0 459.503 0.706 20 30 JCEDRN CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCO1 ZINC001299154568 1067697859 /nfs/dbraw/zinc/69/78/59/1067697859.db2.gz HGAOREOJSUELPZ-AVRDEDQJSA-N 0 0 456.503 0.485 20 30 JCEDRN CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCO1 ZINC001299154571 1067697854 /nfs/dbraw/zinc/69/78/54/1067697854.db2.gz HGAOREOJSUELPZ-GCJKJVERSA-N 0 0 456.503 0.485 20 30 JCEDRN CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCO1 ZINC001299154573 1067697986 /nfs/dbraw/zinc/69/79/86/1067697986.db2.gz HGAOREOJSUELPZ-PGRDOPGGSA-N 0 0 456.503 0.485 20 30 JCEDRN CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCO1 ZINC001299154575 1067698008 /nfs/dbraw/zinc/69/80/08/1067698008.db2.gz HGAOREOJSUELPZ-XMSQKQJNSA-N 0 0 456.503 0.485 20 30 JCEDRN CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 ZINC001299155088 1067734320 /nfs/dbraw/zinc/73/43/20/1067734320.db2.gz NBGXLBBRCWMXJT-FXAWDEMLSA-N 0 0 469.546 0.401 20 30 JCEDRN CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 ZINC001299155090 1067734756 /nfs/dbraw/zinc/73/47/56/1067734756.db2.gz NBGXLBBRCWMXJT-PXNSSMCTSA-N 0 0 469.546 0.401 20 30 JCEDRN CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 ZINC001299155092 1067734797 /nfs/dbraw/zinc/73/47/97/1067734797.db2.gz NBGXLBBRCWMXJT-XLIONFOSSA-N 0 0 469.546 0.401 20 30 JCEDRN CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 ZINC001299155094 1067734735 /nfs/dbraw/zinc/73/47/35/1067734735.db2.gz NBGXLBBRCWMXJT-YLJYHZDGSA-N 0 0 469.546 0.401 20 30 JCEDRN CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 ZINC001299206619 1070096223 /nfs/dbraw/zinc/09/62/23/1070096223.db2.gz LBFKIGVICMUGLT-UHFFFAOYSA-N 0 0 477.616 0.768 20 30 JCEDRN CN(C)S(=O)(=O)N[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCCC1 ZINC001299207300 1070131915 /nfs/dbraw/zinc/13/19/15/1070131915.db2.gz VYXNTOKBHOTNDD-GOSISDBHSA-N 0 0 456.590 0.544 20 30 JCEDRN CN(C)S(=O)(=O)N[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCCC1 ZINC001299207308 1070132073 /nfs/dbraw/zinc/13/20/73/1070132073.db2.gz VYXNTOKBHOTNDD-SFHVURJKSA-N 0 0 456.590 0.544 20 30 JCEDRN CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001299233094 1069245098 /nfs/dbraw/zinc/24/50/98/1069245098.db2.gz QRGRTWOEIVEUMF-INIZCTEOSA-N 0 0 474.591 0.613 20 30 JCEDRN CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001299233095 1069244893 /nfs/dbraw/zinc/24/48/93/1069244893.db2.gz QRGRTWOEIVEUMF-MRXNPFEDSA-N 0 0 474.591 0.613 20 30 JCEDRN CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001299237862 1069245957 /nfs/dbraw/zinc/24/59/57/1069245957.db2.gz YBFMNBUGXQXCOC-DYESRHJHSA-N 0 0 464.574 0.942 20 30 JCEDRN CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001299237872 1069245930 /nfs/dbraw/zinc/24/59/30/1069245930.db2.gz YBFMNBUGXQXCOC-LAUBAEHRSA-N 0 0 464.574 0.942 20 30 JCEDRN CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001299237875 1069246153 /nfs/dbraw/zinc/24/61/53/1069246153.db2.gz YBFMNBUGXQXCOC-UTKZUKDTSA-N 0 0 464.574 0.942 20 30 JCEDRN CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001299237880 1069246132 /nfs/dbraw/zinc/24/61/32/1069246132.db2.gz YBFMNBUGXQXCOC-UWJYYQICSA-N 0 0 464.574 0.942 20 30 JCEDRN CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001299238010 1069246515 /nfs/dbraw/zinc/24/65/15/1069246515.db2.gz ZEKABOXMPNZXRS-GOSISDBHSA-N 0 0 457.560 0.957 20 30 JCEDRN CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001299238024 1069246801 /nfs/dbraw/zinc/24/68/01/1069246801.db2.gz ZEKABOXMPNZXRS-SFHVURJKSA-N 0 0 457.560 0.957 20 30 JCEDRN CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001299240550 1069246745 /nfs/dbraw/zinc/24/67/45/1069246745.db2.gz CNHPQLAOUYZINB-GOSISDBHSA-N 0 0 460.560 0.983 20 30 JCEDRN CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC001299240552 1069246555 /nfs/dbraw/zinc/24/65/55/1069246555.db2.gz CNHPQLAOUYZINB-SFHVURJKSA-N 0 0 460.560 0.983 20 30 JCEDRN CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001299240806 1069246687 /nfs/dbraw/zinc/24/66/87/1069246687.db2.gz FUWUFUMCBLUITO-UHFFFAOYSA-N 0 0 450.547 0.697 20 30 JCEDRN CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001299252063 1069250240 /nfs/dbraw/zinc/25/02/40/1069250240.db2.gz PVIXIASKPMQOAS-HNNXBMFYSA-N 0 0 475.550 0.654 20 30 JCEDRN CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001299252064 1069250227 /nfs/dbraw/zinc/25/02/27/1069250227.db2.gz PVIXIASKPMQOAS-OAHLLOKOSA-N 0 0 475.550 0.654 20 30 JCEDRN CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001299259585 1069255672 /nfs/dbraw/zinc/25/56/72/1069255672.db2.gz HVHQDQWGHKFRMI-UHFFFAOYSA-N 0 0 450.547 0.730 20 30 JCEDRN CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001299262445 1069256119 /nfs/dbraw/zinc/25/61/19/1069256119.db2.gz MQISUIGPGCOPRI-UHFFFAOYSA-N 0 0 494.600 0.999 20 30 JCEDRN CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001299263188 1069256847 /nfs/dbraw/zinc/25/68/47/1069256847.db2.gz SZLSUBWKDKNFFX-KRWDZBQOSA-N 0 0 480.573 0.654 20 30 JCEDRN CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001299263190 1069256821 /nfs/dbraw/zinc/25/68/21/1069256821.db2.gz SZLSUBWKDKNFFX-QGZVFWFLSA-N 0 0 480.573 0.654 20 30 JCEDRN CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001299263211 1069256679 /nfs/dbraw/zinc/25/66/79/1069256679.db2.gz UUFIWNCQGOGRMQ-UHFFFAOYSA-N 0 0 452.519 0.859 20 30 JCEDRN CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001299263497 1069256700 /nfs/dbraw/zinc/25/67/00/1069256700.db2.gz XRHIIHUMTGZLQS-UHFFFAOYSA-N 0 0 481.557 0.940 20 30 JCEDRN CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001299271064 1069487116 /nfs/dbraw/zinc/48/71/16/1069487116.db2.gz ZOFVHXPRLIUKJI-PXNSSMCTSA-N 0 0 454.535 0.731 20 30 JCEDRN CNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001299279760 1069538767 /nfs/dbraw/zinc/53/87/67/1069538767.db2.gz ZDOMZJCYAGPBOJ-DXQAYGFFSA-N 0 0 458.523 0.160 20 30 JCEDRN CNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001299279762 1069538822 /nfs/dbraw/zinc/53/88/22/1069538822.db2.gz ZDOMZJCYAGPBOJ-KIJUOZEOSA-N 0 0 458.523 0.160 20 30 JCEDRN CNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001299279764 1069538783 /nfs/dbraw/zinc/53/87/83/1069538783.db2.gz ZDOMZJCYAGPBOJ-QFPXGYFVSA-N 0 0 458.523 0.160 20 30 JCEDRN CNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001299279768 1069538862 /nfs/dbraw/zinc/53/88/62/1069538862.db2.gz ZDOMZJCYAGPBOJ-UHHPSXQGSA-N 0 0 458.523 0.160 20 30 JCEDRN CNS(=O)(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c1 ZINC001299295585 1069585159 /nfs/dbraw/zinc/58/51/59/1069585159.db2.gz HHXRHOYGRXPIAH-GOSISDBHSA-N 0 0 470.559 0.825 20 30 JCEDRN CNS(=O)(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c1 ZINC001299295588 1069585259 /nfs/dbraw/zinc/58/52/59/1069585259.db2.gz HHXRHOYGRXPIAH-SFHVURJKSA-N 0 0 470.559 0.825 20 30 JCEDRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001299295751 1069587954 /nfs/dbraw/zinc/58/79/54/1069587954.db2.gz JNYMSORKYDXETF-UHFFFAOYSA-N 0 0 487.586 0.983 20 30 JCEDRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001299296056 1069590546 /nfs/dbraw/zinc/59/05/46/1069590546.db2.gz LWSCIKMXHZSUEM-UHFFFAOYSA-N 0 0 486.602 0.652 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001299300050 1069612064 /nfs/dbraw/zinc/61/20/64/1069612064.db2.gz APLZUFFDKYGSRA-UHFFFAOYSA-N 0 0 480.554 0.723 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001299300252 1069612074 /nfs/dbraw/zinc/61/20/74/1069612074.db2.gz BWTXHQWSOWVYMA-UHFFFAOYSA-N 0 0 457.560 0.815 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001299301353 1069613449 /nfs/dbraw/zinc/61/34/49/1069613449.db2.gz MGTIVLCSGZUMQF-UHFFFAOYSA-N 0 0 470.559 0.985 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 ZINC001299302041 1069614202 /nfs/dbraw/zinc/61/42/02/1069614202.db2.gz KKESUJBBBZINGU-UHFFFAOYSA-N 0 0 452.562 0.638 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001299303454 1069618350 /nfs/dbraw/zinc/61/83/50/1069618350.db2.gz ROJGUZDUQAMUJA-UHFFFAOYSA-N 0 0 480.554 0.723 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001299303648 1069618395 /nfs/dbraw/zinc/61/83/95/1069618395.db2.gz URBRJNROOVVOJA-UHFFFAOYSA-N 0 0 457.560 0.815 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001299303842 1069619637 /nfs/dbraw/zinc/61/96/37/1069619637.db2.gz XSNNDRWIQNJSPE-UHFFFAOYSA-N 0 0 470.559 0.985 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001299306016 1069842845 /nfs/dbraw/zinc/84/28/45/1069842845.db2.gz KLZFGEKSOXWBNZ-UHFFFAOYSA-N 0 0 455.548 0.426 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001299306504 1069840969 /nfs/dbraw/zinc/84/09/69/1069840969.db2.gz RTSOWDUSOUYNEY-NRFANRHFSA-N 0 0 470.559 0.871 20 30 JCEDRN CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@](C)(C#N)C1 ZINC001299306506 1069841150 /nfs/dbraw/zinc/84/11/50/1069841150.db2.gz RTSOWDUSOUYNEY-OAQYLSRUSA-N 0 0 470.559 0.871 20 30 JCEDRN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001299313184 1069847132 /nfs/dbraw/zinc/84/71/32/1069847132.db2.gz XTVZZAZKMBWRAP-INIZCTEOSA-N 0 0 492.993 0.630 20 30 JCEDRN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001299313186 1069847066 /nfs/dbraw/zinc/84/70/66/1069847066.db2.gz XTVZZAZKMBWRAP-MRXNPFEDSA-N 0 0 492.993 0.630 20 30 JCEDRN CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001299313684 1069847927 /nfs/dbraw/zinc/84/79/27/1069847927.db2.gz HMCUBJUPRZDNNV-UHFFFAOYSA-N 0 0 467.559 0.406 20 30 JCEDRN CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001299313827 1069850949 /nfs/dbraw/zinc/85/09/49/1069850949.db2.gz MDZFTILOTDDFAW-INIZCTEOSA-N 0 0 450.594 0.360 20 30 JCEDRN CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001299313828 1069850807 /nfs/dbraw/zinc/85/08/07/1069850807.db2.gz MDZFTILOTDDFAW-MRXNPFEDSA-N 0 0 450.594 0.360 20 30 JCEDRN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001299317255 1069858088 /nfs/dbraw/zinc/85/80/88/1069858088.db2.gz MYRVLLDVOWLFTF-UHFFFAOYSA-N 0 0 487.586 0.869 20 30 JCEDRN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC001299318102 1069858796 /nfs/dbraw/zinc/85/87/96/1069858796.db2.gz RZYVFJXVFHUBBF-MSOLQXFVSA-N 0 0 457.560 0.693 20 30 JCEDRN CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001299323193 1068218495 /nfs/dbraw/zinc/21/84/95/1068218495.db2.gz XVOYCIKKCOYAPC-XEWABKELSA-N 0 0 460.560 0.875 20 30 JCEDRN CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001299323246 1068218520 /nfs/dbraw/zinc/21/85/20/1068218520.db2.gz YVWYFQSCCGRDAW-UHFFFAOYSA-N 0 0 475.575 0.583 20 30 JCEDRN COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1O ZINC001299412404 1070350190 /nfs/dbraw/zinc/35/01/90/1070350190.db2.gz LWXNKRINNDEPNL-NHCUHLMSSA-N 0 0 481.557 0.341 20 30 JCEDRN COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001299412511 1070350636 /nfs/dbraw/zinc/35/06/36/1070350636.db2.gz OVHHZAUPKPIQIE-CGTJXYLNSA-N 0 0 459.528 0.612 20 30 JCEDRN COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001299412512 1070350467 /nfs/dbraw/zinc/35/04/67/1070350467.db2.gz OVHHZAUPKPIQIE-KBAYOESNSA-N 0 0 459.528 0.612 20 30 JCEDRN COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H]1O ZINC001299412997 1070350594 /nfs/dbraw/zinc/35/05/94/1070350594.db2.gz IRZQGEICAVYRRH-QZTJIDSGSA-N 0 0 454.487 0.036 20 30 JCEDRN COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001299434965 1070359885 /nfs/dbraw/zinc/35/98/85/1070359885.db2.gz LEFBIZSXGIEBRX-UHFFFAOYSA-N 0 0 459.532 0.741 20 30 JCEDRN COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001299455844 1070363213 /nfs/dbraw/zinc/36/32/13/1070363213.db2.gz CBPRYPCICRTOCS-KRWDZBQOSA-N 0 0 483.529 0.864 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001625790897 1067653841 /nfs/dbraw/zinc/65/38/41/1067653841.db2.gz VCLHOXWCESEZKA-BHYGNILZSA-N 0 0 455.558 0.420 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001625790898 1067653998 /nfs/dbraw/zinc/65/39/98/1067653998.db2.gz VCLHOXWCESEZKA-UAGQMJEPSA-N 0 0 455.558 0.420 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001625790899 1067653994 /nfs/dbraw/zinc/65/39/94/1067653994.db2.gz VCLHOXWCESEZKA-USXIJHARSA-N 0 0 455.558 0.420 20 30 JCEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001625790900 1067653848 /nfs/dbraw/zinc/65/38/48/1067653848.db2.gz VCLHOXWCESEZKA-XIRDDKMYSA-N 0 0 455.558 0.420 20 30 JCEDRN C#C[C@H](C)NC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC001625828756 1067694556 /nfs/dbraw/zinc/69/45/56/1067694556.db2.gz WXSBYBOKCARDJX-AWEZNQCLSA-N 0 0 455.558 0.526 20 30 JCEDRN C#C[C@@H](C)NC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC001625828757 1067694495 /nfs/dbraw/zinc/69/44/95/1067694495.db2.gz WXSBYBOKCARDJX-CQSZACIVSA-N 0 0 455.558 0.526 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(OCCO)CCOCC1 ZINC001625860697 1067705311 /nfs/dbraw/zinc/70/53/11/1067705311.db2.gz KYBBWWTWBZNGNQ-KRWDZBQOSA-N 0 0 453.561 0.814 20 30 JCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(OCCO)CCOCC1 ZINC001625860698 1067705064 /nfs/dbraw/zinc/70/50/64/1067705064.db2.gz KYBBWWTWBZNGNQ-QGZVFWFLSA-N 0 0 453.561 0.814 20 30 JCEDRN COc1cccc(CC(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC001625928254 1069167728 /nfs/dbraw/zinc/16/77/28/1069167728.db2.gz ZNWWOEYVUHQNCI-UHFFFAOYSA-N 0 0 456.524 0.759 20 30 JCEDRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O ZINC001625972154 1069932693 /nfs/dbraw/zinc/93/26/93/1069932693.db2.gz ZVUGLYHCPUNLIR-QHCPKHFHSA-N 0 0 457.531 0.845 20 30 JCEDRN N#CCCN(CCN1CCOCC1)C(=O)Cn1nc(Br)c(Br)n1 ZINC001625976248 1069933331 /nfs/dbraw/zinc/93/33/31/1069933331.db2.gz FSHDSOHWYZYETI-UHFFFAOYSA-N 0 0 450.135 0.878 20 30 JCEDRN CN(C)S(=O)(=O)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001626039179 1069326094 /nfs/dbraw/zinc/32/60/94/1069326094.db2.gz CDLIAYFQUAPLKK-UHFFFAOYSA-N 0 0 454.574 0.499 20 30 JCEDRN N#C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br ZINC001627544551 1069661731 /nfs/dbraw/zinc/66/17/31/1069661731.db2.gz ZURXGHYGFUKSOY-VIFPVBQESA-N 0 0 455.128 0.881 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]12COC(=O)N1CCOC2 ZINC001649059179 1069436561 /nfs/dbraw/zinc/43/65/61/1069436561.db2.gz HBEXQAIJBSOSNV-FQEVSTJZSA-N 0 0 450.517 0.623 20 30 JCEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]12COC(=O)N1CCOC2 ZINC001649059180 1069436218 /nfs/dbraw/zinc/43/62/18/1069436218.db2.gz HBEXQAIJBSOSNV-HXUWFJFHSA-N 0 0 450.517 0.623 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001649059458 1069436278 /nfs/dbraw/zinc/43/62/78/1069436278.db2.gz QDWDHGAORQSILI-MGPUTAFESA-N 0 0 450.517 0.477 20 30 JCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001649059459 1069436530 /nfs/dbraw/zinc/43/65/30/1069436530.db2.gz QDWDHGAORQSILI-YWZLYKJASA-N 0 0 450.517 0.477 20 30 JCEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)C1 ZINC001649159738 1068224304 /nfs/dbraw/zinc/22/43/04/1068224304.db2.gz OVNNYWJBWYADOX-UHFFFAOYSA-N 0 0 455.334 0.306 20 30 JCEDRN N#C[C@@]12CN(C(=O)NCc3ccccc3CS(=O)(=O)N3CCCC3)C[C@H]1CS(=O)(=O)C2 ZINC001670631510 1067751425 /nfs/dbraw/zinc/75/14/25/1067751425.db2.gz IQINMQXJIDQHIP-ICSRJNTNSA-N 0 0 466.585 0.692 20 30 JCEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC001670779207 1068054353 /nfs/dbraw/zinc/05/43/53/1068054353.db2.gz UGOMBXQSCJCLJE-LLVKDONJSA-N 0 0 450.306 0.682 20 30 JCEDRN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC001670779208 1068054287 /nfs/dbraw/zinc/05/42/87/1068054287.db2.gz UGOMBXQSCJCLJE-NSHDSACASA-N 0 0 450.306 0.682 20 30 JCEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC001671004686 1069456374 /nfs/dbraw/zinc/45/63/74/1069456374.db2.gz KFILXAJBMBFADJ-SJORKVTESA-N 0 0 461.562 0.824 20 30 JCEDRN COC(=O)[C@@]1(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1S(C)(=O)=O ZINC001671264062 1067704478 /nfs/dbraw/zinc/70/44/78/1067704478.db2.gz JEHPAZALCZMDDP-GXTWGEPZSA-N 0 0 451.320 0.575 20 30 JCEDRN N#C[C@@]12CN(S(=O)(=O)c3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 ZINC001671756592 1070331582 /nfs/dbraw/zinc/33/15/82/1070331582.db2.gz YDMARHHDFVCTIJ-GWCFXTLKSA-N 0 0 452.295 0.850 20 30 JCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccnc(-n4cncn4)c3)CC2)cc1 ZINC001687305639 1067767233 /nfs/dbraw/zinc/76/72/33/1067767233.db2.gz JQUCYPHLJFXDON-UHFFFAOYSA-N 0 0 452.500 0.750 20 30 JCEDRN N#Cc1ccc(N2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)c(F)c1 ZINC001687565123 1071016645 /nfs/dbraw/zinc/01/66/45/1071016645.db2.gz IXJHIDJCHOBRKS-UHFFFAOYSA-N 0 0 452.490 0.962 20 30 JCEDRN