smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000021009057 333412049 /nfs/dbraw/zinc/41/20/49/333412049.db2.gz YNFQDZBBGSOGGL-NEPJUHHUSA-N 0 3 319.235 5.277 20 30 DKEDHN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000021009058 333412177 /nfs/dbraw/zinc/41/21/77/333412177.db2.gz YNFQDZBBGSOGGL-RYUDHWBXSA-N 0 3 319.235 5.277 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000021009060 333412259 /nfs/dbraw/zinc/41/22/59/333412259.db2.gz YNFQDZBBGSOGGL-NWDGAFQWSA-N 0 3 319.235 5.277 20 30 DKEDHN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 ZINC000037220683 340775046 /nfs/dbraw/zinc/77/50/46/340775046.db2.gz BDPYDSDDHHMMKF-RYUDHWBXSA-N 0 3 319.235 5.277 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000037220687 340775054 /nfs/dbraw/zinc/77/50/54/340775054.db2.gz BDPYDSDDHHMMKF-NWDGAFQWSA-N 0 3 319.235 5.277 20 30 DKEDHN C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 ZINC000037220690 340775020 /nfs/dbraw/zinc/77/50/20/340775020.db2.gz BDPYDSDDHHMMKF-VXGBXAGGSA-N 0 3 319.235 5.277 20 30 DKEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000037748881 340786478 /nfs/dbraw/zinc/78/64/78/340786478.db2.gz HRUHKZQPKJAWNU-KRWDZBQOSA-N 0 3 319.235 5.106 20 30 DKEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000037748882 340786480 /nfs/dbraw/zinc/78/64/80/340786480.db2.gz HRUHKZQPKJAWNU-QGZVFWFLSA-N 0 3 319.235 5.106 20 30 DKEDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000074335969 341144116 /nfs/dbraw/zinc/14/41/16/341144116.db2.gz PDQRPFQNCQUTAM-HOTGVXAUSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000074335973 341144135 /nfs/dbraw/zinc/14/41/35/341144135.db2.gz PDQRPFQNCQUTAM-CVEARBPZSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000074335975 341144131 /nfs/dbraw/zinc/14/41/31/341144131.db2.gz PDQRPFQNCQUTAM-JKSUJKDBSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000074335982 341144046 /nfs/dbraw/zinc/14/40/46/341144046.db2.gz PDQRPFQNCQUTAM-HZPDHXFCSA-N 0 3 300.405 5.123 20 30 DKEDHN C=CCC[C@H](N[C@@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000090580701 337882699 /nfs/dbraw/zinc/88/26/99/337882699.db2.gz WCPHPRNTFLOWOR-FUHWJXTLSA-N 0 3 312.482 5.126 20 30 DKEDHN C=CCC[C@H](N[C@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000090580703 337882739 /nfs/dbraw/zinc/88/27/39/337882739.db2.gz WCPHPRNTFLOWOR-WMZOPIPTSA-N 0 3 312.482 5.126 20 30 DKEDHN C=CCC[C@@H](N[C@@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000090580704 337882785 /nfs/dbraw/zinc/88/27/85/337882785.db2.gz WCPHPRNTFLOWOR-SJLPKXTDSA-N 0 3 312.482 5.126 20 30 DKEDHN C=CCC[C@@H](N[C@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000090580706 337882714 /nfs/dbraw/zinc/88/27/14/337882714.db2.gz WCPHPRNTFLOWOR-AEFFLSMTSA-N 0 3 312.482 5.126 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000090580750 334950210 /nfs/dbraw/zinc/95/02/10/334950210.db2.gz KIIAPOVPBGRLHD-KKSFZXQISA-N 0 3 322.452 5.003 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000090580751 334950128 /nfs/dbraw/zinc/95/01/28/334950128.db2.gz KIIAPOVPBGRLHD-IERDGZPVSA-N 0 3 322.452 5.003 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000090580754 334950225 /nfs/dbraw/zinc/95/02/25/334950225.db2.gz KIIAPOVPBGRLHD-HRAATJIYSA-N 0 3 322.452 5.003 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000090580755 334950231 /nfs/dbraw/zinc/95/02/31/334950231.db2.gz KIIAPOVPBGRLHD-IIBYNOLFSA-N 0 3 322.452 5.003 20 30 DKEDHN CCC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090665389 337883806 /nfs/dbraw/zinc/88/38/06/337883806.db2.gz PDLHHQYJNHGLEB-SFTDATJTSA-N 0 3 322.452 5.171 20 30 DKEDHN CCC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090665390 337883935 /nfs/dbraw/zinc/88/39/35/337883935.db2.gz PDLHHQYJNHGLEB-RTWAWAEBSA-N 0 3 322.452 5.171 20 30 DKEDHN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](CCC#N)c1ccccc1 ZINC000090665683 337884052 /nfs/dbraw/zinc/88/40/52/337884052.db2.gz WYYDKHJKBASRAL-LSTHTHJFSA-N 0 3 304.437 5.178 20 30 DKEDHN Cc1cccc2c1[C@@H](C)C[C@H]2N[C@@H](CCC#N)c1ccccc1 ZINC000090665684 337884021 /nfs/dbraw/zinc/88/40/21/337884021.db2.gz WYYDKHJKBASRAL-FFZOFVMBSA-N 0 3 304.437 5.178 20 30 DKEDHN CCC(CC)(NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000110334086 333576307 /nfs/dbraw/zinc/57/63/07/333576307.db2.gz ORWFIRZZJARSPB-UHFFFAOYSA-N 0 3 312.844 5.017 20 30 DKEDHN CC(C)(CCC#N)CN(Cc1cccs1)Cc1cccs1 ZINC000120091512 337870242 /nfs/dbraw/zinc/87/02/42/337870242.db2.gz TWKUOKDAXJDZRJ-UHFFFAOYSA-N 0 3 318.511 5.142 20 30 DKEDHN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000124609862 340799992 /nfs/dbraw/zinc/79/99/92/340799992.db2.gz SMZOGNYOIUCIIH-LSDHHAIUSA-N 0 3 304.393 5.025 20 30 DKEDHN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000124610048 340799960 /nfs/dbraw/zinc/79/99/60/340799960.db2.gz SMZOGNYOIUCIIH-GJZGRUSLSA-N 0 3 304.393 5.025 20 30 DKEDHN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000124610259 340800016 /nfs/dbraw/zinc/80/00/16/340800016.db2.gz SMZOGNYOIUCIIH-HUUCEWRRSA-N 0 3 304.393 5.025 20 30 DKEDHN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000124610523 332233338 /nfs/dbraw/zinc/23/33/38/332233338.db2.gz SMZOGNYOIUCIIH-CABCVRRESA-N 0 3 304.393 5.025 20 30 DKEDHN C[C@@H](N[C@@H]1CCCc2sc(Cl)cc21)c1ccc(C#N)cc1 ZINC000127688188 340855157 /nfs/dbraw/zinc/85/51/57/340855157.db2.gz RQRNZBVHOQENKF-IAQYHMDHSA-N 0 3 316.857 5.001 20 30 DKEDHN C[C@H](N[C@H]1CCCc2sc(Cl)cc21)c1ccc(C#N)cc1 ZINC000127688387 340855146 /nfs/dbraw/zinc/85/51/46/340855146.db2.gz RQRNZBVHOQENKF-NHYWBVRUSA-N 0 3 316.857 5.001 20 30 DKEDHN C[C@@H](N[C@H]1CCCc2sc(Cl)cc21)c1ccc(C#N)cc1 ZINC000127688628 340855081 /nfs/dbraw/zinc/85/50/81/340855081.db2.gz RQRNZBVHOQENKF-ABAIWWIYSA-N 0 3 316.857 5.001 20 30 DKEDHN N#CCC[C@@H](NCc1cc2ccccc2s1)c1ccccc1 ZINC000130558289 341027802 /nfs/dbraw/zinc/02/78/02/341027802.db2.gz HWZNGDHTQJFMHB-GOSISDBHSA-N 0 3 306.434 5.036 20 30 DKEDHN N#CCC[C@H](NCc1cc2ccccc2s1)c1ccccc1 ZINC000130558527 341027825 /nfs/dbraw/zinc/02/78/25/341027825.db2.gz HWZNGDHTQJFMHB-SFHVURJKSA-N 0 3 306.434 5.036 20 30 DKEDHN CCSc1ccccc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000154327941 341588197 /nfs/dbraw/zinc/58/81/97/341588197.db2.gz JUIRLYRXBXWLQD-HUUCEWRRSA-N 0 3 310.466 5.082 20 30 DKEDHN C=CCC[C@@H](NCc1ccc2ccccc2n1)c1ccccc1 ZINC000158839098 341664979 /nfs/dbraw/zinc/66/49/79/341664979.db2.gz WYRLLQCENJYBOO-HXUWFJFHSA-N 0 3 302.421 5.032 20 30 DKEDHN CC(C)(C#N)CCCN(Cc1cccs1)Cc1cccs1 ZINC000174812010 340396491 /nfs/dbraw/zinc/39/64/91/340396491.db2.gz XWTGXQBYBPFXJG-UHFFFAOYSA-N 0 3 318.511 5.142 20 30 DKEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000174853309 340397739 /nfs/dbraw/zinc/39/77/39/340397739.db2.gz GIBCIYSACXVJJZ-LJQANCHMSA-N 0 3 309.457 5.025 20 30 DKEDHN CC(C)(C#N)CCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000174853320 340397600 /nfs/dbraw/zinc/39/76/00/340397600.db2.gz GIBCIYSACXVJJZ-IBGZPJMESA-N 0 3 309.457 5.025 20 30 DKEDHN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000178176797 340447640 /nfs/dbraw/zinc/44/76/40/340447640.db2.gz JQDTVNLYJCSVIM-GJZGRUSLSA-N 0 3 304.393 5.025 20 30 DKEDHN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000178176806 340447554 /nfs/dbraw/zinc/44/75/54/340447554.db2.gz JQDTVNLYJCSVIM-HUUCEWRRSA-N 0 3 304.393 5.025 20 30 DKEDHN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000178176819 340447539 /nfs/dbraw/zinc/44/75/39/340447539.db2.gz JQDTVNLYJCSVIM-CABCVRRESA-N 0 3 304.393 5.025 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000181507410 337182708 /nfs/dbraw/zinc/18/27/08/337182708.db2.gz KSUNFAOIDKYXIV-PBHICJAKSA-N 0 3 300.471 5.118 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000181507428 337182640 /nfs/dbraw/zinc/18/26/40/337182640.db2.gz KSUNFAOIDKYXIV-YOEHRIQHSA-N 0 3 300.471 5.118 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000181507449 337182762 /nfs/dbraw/zinc/18/27/62/337182762.db2.gz KSUNFAOIDKYXIV-RHSMWYFYSA-N 0 3 300.471 5.118 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000181507467 337182722 /nfs/dbraw/zinc/18/27/22/337182722.db2.gz KSUNFAOIDKYXIV-WMLDXEAASA-N 0 3 300.471 5.118 20 30 DKEDHN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000181724808 333031406 /nfs/dbraw/zinc/03/14/06/333031406.db2.gz YGJHBQBTJIODSE-KBPBESRZSA-N 0 3 306.434 5.185 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000181724824 333031525 /nfs/dbraw/zinc/03/15/25/333031525.db2.gz YGJHBQBTJIODSE-KGLIPLIRSA-N 0 3 306.434 5.185 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000181724839 333031428 /nfs/dbraw/zinc/03/14/28/333031428.db2.gz YGJHBQBTJIODSE-UONOGXRCSA-N 0 3 306.434 5.185 20 30 DKEDHN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000181724859 333031485 /nfs/dbraw/zinc/03/14/85/333031485.db2.gz YGJHBQBTJIODSE-ZIAGYGMSSA-N 0 3 306.434 5.185 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000182159241 334989196 /nfs/dbraw/zinc/98/91/96/334989196.db2.gz OHVQHFUZZHSMFN-KKSFZXQISA-N 0 3 322.452 5.003 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000182159307 334989241 /nfs/dbraw/zinc/98/92/41/334989241.db2.gz OHVQHFUZZHSMFN-IIBYNOLFSA-N 0 3 322.452 5.003 20 30 DKEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1cc2ccccc2o1 ZINC000182646293 336278287 /nfs/dbraw/zinc/27/82/87/336278287.db2.gz QTKMHXNOXGWGQD-HNNXBMFYSA-N 0 3 318.420 5.085 20 30 DKEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cc2ccccc2o1 ZINC000182646308 333044556 /nfs/dbraw/zinc/04/45/56/333044556.db2.gz QTKMHXNOXGWGQD-OAHLLOKOSA-N 0 3 318.420 5.085 20 30 DKEDHN C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc2ccccc2s1 ZINC000188258701 334670232 /nfs/dbraw/zinc/67/02/32/334670232.db2.gz FLEYJYQVBIGNFF-QAPCUYQASA-N 0 3 320.461 5.597 20 30 DKEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc2ccccc2s1 ZINC000188258724 334670263 /nfs/dbraw/zinc/67/02/63/334670263.db2.gz FLEYJYQVBIGNFF-MAUKXSAKSA-N 0 3 320.461 5.597 20 30 DKEDHN C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc2ccccc2s1 ZINC000188258752 334670218 /nfs/dbraw/zinc/67/02/18/334670218.db2.gz FLEYJYQVBIGNFF-CRAIPNDOSA-N 0 3 320.461 5.597 20 30 DKEDHN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000192755303 336260501 /nfs/dbraw/zinc/26/05/01/336260501.db2.gz PGBIZNCUVLBFRX-HOTGVXAUSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000192755315 336260565 /nfs/dbraw/zinc/26/05/65/336260565.db2.gz PGBIZNCUVLBFRX-CVEARBPZSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000192755328 336260561 /nfs/dbraw/zinc/26/05/61/336260561.db2.gz PGBIZNCUVLBFRX-JKSUJKDBSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000192755344 336260654 /nfs/dbraw/zinc/26/06/54/336260654.db2.gz PGBIZNCUVLBFRX-HZPDHXFCSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1cccc(C#N)c1 ZINC000192943632 336285478 /nfs/dbraw/zinc/28/54/78/336285478.db2.gz BXTLHJWEYUGYIJ-HOTGVXAUSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1cccc(C#N)c1 ZINC000192943646 336285375 /nfs/dbraw/zinc/28/53/75/336285375.db2.gz BXTLHJWEYUGYIJ-CVEARBPZSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000192943658 336285449 /nfs/dbraw/zinc/28/54/49/336285449.db2.gz BXTLHJWEYUGYIJ-JKSUJKDBSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1cccc(C#N)c1 ZINC000192943676 336285525 /nfs/dbraw/zinc/28/55/25/336285525.db2.gz BXTLHJWEYUGYIJ-HZPDHXFCSA-N 0 3 300.405 5.123 20 30 DKEDHN C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000192988749 336286578 /nfs/dbraw/zinc/28/65/78/336286578.db2.gz GBDZXFBVRSYNMA-ORAYPTAESA-N 0 3 310.828 5.014 20 30 DKEDHN C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000192988764 336286664 /nfs/dbraw/zinc/28/66/64/336286664.db2.gz GBDZXFBVRSYNMA-BFUOFWGJSA-N 0 3 310.828 5.014 20 30 DKEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000192988772 336286549 /nfs/dbraw/zinc/28/65/49/336286549.db2.gz GBDZXFBVRSYNMA-DJJJIMSYSA-N 0 3 310.828 5.014 20 30 DKEDHN C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000192988786 336286616 /nfs/dbraw/zinc/28/66/16/336286616.db2.gz GBDZXFBVRSYNMA-YJYMSZOUSA-N 0 3 310.828 5.014 20 30 DKEDHN C=CCC[C@H](NCc1cnc(-c2ccco2)s1)c1ccccc1 ZINC000193173399 340573454 /nfs/dbraw/zinc/57/34/54/340573454.db2.gz UWFYYFAWRQUJDJ-KRWDZBQOSA-N 0 3 324.449 5.200 20 30 DKEDHN C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000195613867 338910103 /nfs/dbraw/zinc/91/01/03/338910103.db2.gz GWGVYOBOSIMNLB-MGPUTAFESA-N 0 3 304.437 5.022 20 30 DKEDHN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000195613871 338910129 /nfs/dbraw/zinc/91/01/29/338910129.db2.gz GWGVYOBOSIMNLB-YWZLYKJASA-N 0 3 304.437 5.022 20 30 DKEDHN C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000195614544 338910258 /nfs/dbraw/zinc/91/02/58/338910258.db2.gz AAGPACDQCUUSMF-LIRRHRJNSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000195614546 338910253 /nfs/dbraw/zinc/91/02/53/338910253.db2.gz AAGPACDQCUUSMF-AUUYWEPGSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@@H](NCCCCC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000235193005 340657475 /nfs/dbraw/zinc/65/74/75/340657475.db2.gz WMLPZYGMHLSUMV-GFCCVEGCSA-N 0 3 313.272 5.364 20 30 DKEDHN C[C@H](NCCCCC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000235506718 340660176 /nfs/dbraw/zinc/66/01/76/340660176.db2.gz WMLPZYGMHLSUMV-LBPRGKRZSA-N 0 3 313.272 5.364 20 30 DKEDHN CC(C)C[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000236620132 341189553 /nfs/dbraw/zinc/18/95/53/341189553.db2.gz OXRKCBCBZCEILJ-QGZVFWFLSA-N 0 3 318.873 5.150 20 30 DKEDHN CC(C)(C)C[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000236627215 333512830 /nfs/dbraw/zinc/51/28/30/333512830.db2.gz UIUPJMBJFRSFBF-QGZVFWFLSA-N 0 3 316.445 5.026 20 30 DKEDHN CC(C)(C)C[C@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000236631297 333513216 /nfs/dbraw/zinc/51/32/16/333513216.db2.gz UIUPJMBJFRSFBF-KRWDZBQOSA-N 0 3 316.445 5.026 20 30 DKEDHN CCC(CC)(NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000236916797 341204460 /nfs/dbraw/zinc/20/44/60/341204460.db2.gz NWRQQQUFKSOVBI-UHFFFAOYSA-N 0 3 318.873 5.078 20 30 DKEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1 ZINC000237477153 340671203 /nfs/dbraw/zinc/67/12/03/340671203.db2.gz JXUZZCWHSJQVEW-QGZVFWFLSA-N 0 3 312.416 5.076 20 30 DKEDHN N#CCCCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000237772300 340673788 /nfs/dbraw/zinc/67/37/88/340673788.db2.gz PZXHEVIXWWGTGX-UHFFFAOYSA-N 0 3 323.223 5.037 20 30 DKEDHN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](CCC#N)c1ccccc1 ZINC000246556484 337553558 /nfs/dbraw/zinc/55/35/58/337553558.db2.gz WYYDKHJKBASRAL-AHRSYUTCSA-N 0 3 304.437 5.178 20 30 DKEDHN C[C@@H](c1nc2ccccc2s1)N(C)CCCCC(C)(C)C#N ZINC000277787314 334090911 /nfs/dbraw/zinc/09/09/11/334090911.db2.gz SFWZNOHUXLDOMH-AWEZNQCLSA-N 0 3 315.486 5.009 20 30 DKEDHN C[C@H](c1nc2ccccc2s1)N(C)CCCCC(C)(C)C#N ZINC000277787318 334090939 /nfs/dbraw/zinc/09/09/39/334090939.db2.gz SFWZNOHUXLDOMH-CQSZACIVSA-N 0 3 315.486 5.009 20 30 DKEDHN Cc1ccc2nccc(N[C@H](CCC#N)c3ccccc3)c2c1 ZINC000302235869 336355680 /nfs/dbraw/zinc/35/56/80/336355680.db2.gz VFIVANKZZGVLLF-GOSISDBHSA-N 0 3 301.393 5.000 20 30 DKEDHN Cc1ccc2nccc(N[C@@H](CCC#N)c3ccccc3)c2c1 ZINC000302235870 336355632 /nfs/dbraw/zinc/35/56/32/336355632.db2.gz VFIVANKZZGVLLF-SFHVURJKSA-N 0 3 301.393 5.000 20 30 DKEDHN CC(C)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000315134035 337981619 /nfs/dbraw/zinc/98/16/19/337981619.db2.gz CHRKXMLOTVSWJK-IFXJQAMLSA-N 0 3 312.844 5.260 20 30 DKEDHN CC(C)[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000315134039 337981537 /nfs/dbraw/zinc/98/15/37/337981537.db2.gz CHRKXMLOTVSWJK-KUHUBIRLSA-N 0 3 312.844 5.260 20 30 DKEDHN CC(C)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000315134042 337981499 /nfs/dbraw/zinc/98/14/99/337981499.db2.gz CHRKXMLOTVSWJK-LIRRHRJNSA-N 0 3 312.844 5.260 20 30 DKEDHN C=CCOc1ccc(CN[C@@H](CC)c2cccc(Cl)c2)cc1 ZINC000315457196 337987471 /nfs/dbraw/zinc/98/74/71/337987471.db2.gz NLBPSTZCFCAPHF-IBGZPJMESA-N 0 3 315.844 5.146 20 30 DKEDHN C=CCOc1ccc(CN[C@H](CC)c2cccc(Cl)c2)cc1 ZINC000315457201 337987495 /nfs/dbraw/zinc/98/74/95/337987495.db2.gz NLBPSTZCFCAPHF-LJQANCHMSA-N 0 3 315.844 5.146 20 30 DKEDHN CC(C)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315860938 340677157 /nfs/dbraw/zinc/67/71/57/340677157.db2.gz MKJRHCKLCGTDHY-AUUYWEPGSA-N 0 3 312.844 5.260 20 30 DKEDHN CC(C)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315860947 340677163 /nfs/dbraw/zinc/67/71/63/340677163.db2.gz MKJRHCKLCGTDHY-KUHUBIRLSA-N 0 3 312.844 5.260 20 30 DKEDHN CC(C)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315860951 340677243 /nfs/dbraw/zinc/67/72/43/340677243.db2.gz MKJRHCKLCGTDHY-LIRRHRJNSA-N 0 3 312.844 5.260 20 30 DKEDHN CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315888537 340677218 /nfs/dbraw/zinc/67/72/18/340677218.db2.gz PFQCGTIMBDDKSF-AUUYWEPGSA-N 0 3 312.844 5.404 20 30 DKEDHN CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315888538 340677193 /nfs/dbraw/zinc/67/71/93/340677193.db2.gz PFQCGTIMBDDKSF-IFXJQAMLSA-N 0 3 312.844 5.404 20 30 DKEDHN CCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315888539 340677291 /nfs/dbraw/zinc/67/72/91/340677291.db2.gz PFQCGTIMBDDKSF-KUHUBIRLSA-N 0 3 312.844 5.404 20 30 DKEDHN CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000315888540 340677275 /nfs/dbraw/zinc/67/72/75/340677275.db2.gz PFQCGTIMBDDKSF-LIRRHRJNSA-N 0 3 312.844 5.404 20 30 DKEDHN C[C@H](NCc1ccc(-c2ccccc2)s1)c1ccc(C#N)cc1 ZINC000319640497 333392122 /nfs/dbraw/zinc/39/21/22/333392122.db2.gz CBZQMCWHLUDNLZ-HNNXBMFYSA-N 0 3 318.445 5.138 20 30 DKEDHN C[C@@H](NCc1ccc(-c2ccccc2)s1)c1ccc(C#N)cc1 ZINC000319640498 333392127 /nfs/dbraw/zinc/39/21/27/333392127.db2.gz CBZQMCWHLUDNLZ-OAHLLOKOSA-N 0 3 318.445 5.138 20 30 DKEDHN C[C@@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000319660966 333394091 /nfs/dbraw/zinc/39/40/91/333394091.db2.gz BTRBIXRWCPGSOZ-AUUYWEPGSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000319660967 333394095 /nfs/dbraw/zinc/39/40/95/333394095.db2.gz BTRBIXRWCPGSOZ-IFXJQAMLSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000319660968 333394123 /nfs/dbraw/zinc/39/41/23/333394123.db2.gz BTRBIXRWCPGSOZ-KUHUBIRLSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000319660969 333394081 /nfs/dbraw/zinc/39/40/81/333394081.db2.gz BTRBIXRWCPGSOZ-LIRRHRJNSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](NCc1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000324925875 336274549 /nfs/dbraw/zinc/27/45/49/336274549.db2.gz VWZTWICBODEAGR-KRWDZBQOSA-N 0 3 312.416 5.076 20 30 DKEDHN C[C@@H](NCc1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000324925876 336274606 /nfs/dbraw/zinc/27/46/06/336274606.db2.gz VWZTWICBODEAGR-QGZVFWFLSA-N 0 3 312.416 5.076 20 30 DKEDHN CC(C)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000325107322 336279210 /nfs/dbraw/zinc/27/92/10/336279210.db2.gz AXCXPRUHPUORAZ-DLBZAZTESA-N 0 3 322.452 5.005 20 30 DKEDHN CC(C)COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000325107324 336279155 /nfs/dbraw/zinc/27/91/55/336279155.db2.gz AXCXPRUHPUORAZ-IAGOWNOFSA-N 0 3 322.452 5.005 20 30 DKEDHN CC(C)COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000325107326 336279245 /nfs/dbraw/zinc/27/92/45/336279245.db2.gz AXCXPRUHPUORAZ-IRXDYDNUSA-N 0 3 322.452 5.005 20 30 DKEDHN CC(C)COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000325107328 336279194 /nfs/dbraw/zinc/27/91/94/336279194.db2.gz AXCXPRUHPUORAZ-SJORKVTESA-N 0 3 322.452 5.005 20 30 DKEDHN CCc1c2ccccc2oc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000325107853 336279252 /nfs/dbraw/zinc/27/92/52/336279252.db2.gz BKPVXKFHXUYLSQ-CABCVRRESA-N 0 3 318.420 5.279 20 30 DKEDHN CCc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000325107854 336279199 /nfs/dbraw/zinc/27/91/99/336279199.db2.gz BKPVXKFHXUYLSQ-GJZGRUSLSA-N 0 3 318.420 5.279 20 30 DKEDHN CCc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000325107855 336279207 /nfs/dbraw/zinc/27/92/07/336279207.db2.gz BKPVXKFHXUYLSQ-HUUCEWRRSA-N 0 3 318.420 5.279 20 30 DKEDHN CCc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000325107856 336279272 /nfs/dbraw/zinc/27/92/72/336279272.db2.gz BKPVXKFHXUYLSQ-LSDHHAIUSA-N 0 3 318.420 5.279 20 30 DKEDHN Cc1nc(C(C)C)ccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000339239464 333514526 /nfs/dbraw/zinc/51/45/26/333514526.db2.gz WYNLDDBTMFZKEK-NRFANRHFSA-N 0 3 321.468 5.038 20 30 DKEDHN Cc1nc(C(C)C)ccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000339239472 333514564 /nfs/dbraw/zinc/51/45/64/333514564.db2.gz WYNLDDBTMFZKEK-OAQYLSRUSA-N 0 3 321.468 5.038 20 30 DKEDHN Cc1cc(Cl)cc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000339407435 333523424 /nfs/dbraw/zinc/52/34/24/333523424.db2.gz LOJRTWAOAXGRFR-IBGZPJMESA-N 0 3 312.844 5.173 20 30 DKEDHN N#CCCC[C@@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000340428909 334198236 /nfs/dbraw/zinc/19/82/36/334198236.db2.gz CCRFRKVAAORIPZ-MOPGFXCFSA-N 0 3 322.477 5.248 20 30 DKEDHN N#CCCC[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000340428910 334198312 /nfs/dbraw/zinc/19/83/12/334198312.db2.gz CCRFRKVAAORIPZ-OALUTQOASA-N 0 3 322.477 5.248 20 30 DKEDHN N#CCCC[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000340428911 334198305 /nfs/dbraw/zinc/19/83/05/334198305.db2.gz CCRFRKVAAORIPZ-RBUKOAKNSA-N 0 3 322.477 5.248 20 30 DKEDHN N#CCCC[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000340428912 334198320 /nfs/dbraw/zinc/19/83/20/334198320.db2.gz CCRFRKVAAORIPZ-RTBURBONSA-N 0 3 322.477 5.248 20 30 DKEDHN CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000340429789 334198808 /nfs/dbraw/zinc/19/88/08/334198808.db2.gz DTTGFIVHWRFMCK-LEWJYISDSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000340429790 334198622 /nfs/dbraw/zinc/19/86/22/334198622.db2.gz DTTGFIVHWRFMCK-NHCUHLMSSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000340429791 334198778 /nfs/dbraw/zinc/19/87/78/334198778.db2.gz DTTGFIVHWRFMCK-RTWAWAEBSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000340429792 334198632 /nfs/dbraw/zinc/19/86/32/334198632.db2.gz DTTGFIVHWRFMCK-SFTDATJTSA-N 0 3 322.452 5.171 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000340440602 334202591 /nfs/dbraw/zinc/20/25/91/334202591.db2.gz CMKLRZXRPKWBCB-BBRMVZONSA-N 0 3 318.873 5.487 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000340440603 334202654 /nfs/dbraw/zinc/20/26/54/334202654.db2.gz CMKLRZXRPKWBCB-CJNGLKHVSA-N 0 3 318.873 5.487 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000340440604 334202556 /nfs/dbraw/zinc/20/25/56/334202556.db2.gz CMKLRZXRPKWBCB-CZUORRHYSA-N 0 3 318.873 5.487 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000340440605 334202546 /nfs/dbraw/zinc/20/25/46/334202546.db2.gz CMKLRZXRPKWBCB-XJKSGUPXSA-N 0 3 318.873 5.487 20 30 DKEDHN CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1OC ZINC000340441696 334202452 /nfs/dbraw/zinc/20/24/52/334202452.db2.gz DFSSQVSAKGNQEQ-PMACEKPBSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1OC ZINC000340441708 334202457 /nfs/dbraw/zinc/20/24/57/334202457.db2.gz DFSSQVSAKGNQEQ-UXHICEINSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1OC ZINC000340441713 334202278 /nfs/dbraw/zinc/20/22/78/334202278.db2.gz DFSSQVSAKGNQEQ-VQTJNVASSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1OC ZINC000340441714 334202450 /nfs/dbraw/zinc/20/24/50/334202450.db2.gz DFSSQVSAKGNQEQ-WOJBJXKFSA-N 0 3 322.452 5.171 20 30 DKEDHN N#CCCC[C@@H](N[C@H]1CCCc2sccc21)c1ccccc1 ZINC000340444028 334202915 /nfs/dbraw/zinc/20/29/15/334202915.db2.gz BUBYZPCKQZENBZ-MSOLQXFVSA-N 0 3 310.466 5.150 20 30 DKEDHN N#CCCC[C@@H](N[C@@H]1CCCc2sccc21)c1ccccc1 ZINC000340444035 334202928 /nfs/dbraw/zinc/20/29/28/334202928.db2.gz BUBYZPCKQZENBZ-QZTJIDSGSA-N 0 3 310.466 5.150 20 30 DKEDHN N#CCCC[C@H](N[C@H]1CCCc2sccc21)c1ccccc1 ZINC000340444041 334202986 /nfs/dbraw/zinc/20/29/86/334202986.db2.gz BUBYZPCKQZENBZ-ROUUACIJSA-N 0 3 310.466 5.150 20 30 DKEDHN N#CCCC[C@H](N[C@@H]1CCCc2sccc21)c1ccccc1 ZINC000340444048 334202926 /nfs/dbraw/zinc/20/29/26/334202926.db2.gz BUBYZPCKQZENBZ-ZWKOTPCHSA-N 0 3 310.466 5.150 20 30 DKEDHN CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1F ZINC000340444132 334202944 /nfs/dbraw/zinc/20/29/44/334202944.db2.gz CEEFCABVPICULY-PMACEKPBSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1F ZINC000340444136 334202931 /nfs/dbraw/zinc/20/29/31/334202931.db2.gz CEEFCABVPICULY-UXHICEINSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1F ZINC000340444139 334203051 /nfs/dbraw/zinc/20/30/51/334203051.db2.gz CEEFCABVPICULY-VQTJNVASSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1F ZINC000340444141 334203045 /nfs/dbraw/zinc/20/30/45/334203045.db2.gz CEEFCABVPICULY-WOJBJXKFSA-N 0 3 310.416 5.302 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000340444222 334203059 /nfs/dbraw/zinc/20/30/59/334203059.db2.gz HACBJPUFBNYFSE-AUUYWEPGSA-N 0 3 314.379 5.051 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000340444223 334203031 /nfs/dbraw/zinc/20/30/31/334203031.db2.gz HACBJPUFBNYFSE-IFXJQAMLSA-N 0 3 314.379 5.051 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000340444225 334202954 /nfs/dbraw/zinc/20/29/54/334202954.db2.gz HACBJPUFBNYFSE-KUHUBIRLSA-N 0 3 314.379 5.051 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000340444226 334202910 /nfs/dbraw/zinc/20/29/10/334202910.db2.gz HACBJPUFBNYFSE-LIRRHRJNSA-N 0 3 314.379 5.051 20 30 DKEDHN C[C@@H]1C[C@H](N[C@@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340444764 334203595 /nfs/dbraw/zinc/20/35/95/334203595.db2.gz JKFPBDIJIGWWKB-CZAAIQMYSA-N 0 3 304.437 5.260 20 30 DKEDHN C[C@@H]1C[C@H](N[C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340444765 334203706 /nfs/dbraw/zinc/20/37/06/334203706.db2.gz JKFPBDIJIGWWKB-HBGVWJBISA-N 0 3 304.437 5.260 20 30 DKEDHN C[C@@H]1C[C@@H](N[C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340444766 334203701 /nfs/dbraw/zinc/20/37/01/334203701.db2.gz JKFPBDIJIGWWKB-MAODMQOUSA-N 0 3 304.437 5.260 20 30 DKEDHN C[C@@H]1C[C@@H](N[C@@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000340444767 334203671 /nfs/dbraw/zinc/20/36/71/334203671.db2.gz JKFPBDIJIGWWKB-TYCQWZJGSA-N 0 3 304.437 5.260 20 30 DKEDHN CCOc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000340445164 334203737 /nfs/dbraw/zinc/20/37/37/334203737.db2.gz LKROZEBFMSQLCU-DYESRHJHSA-N 0 3 322.452 5.171 20 30 DKEDHN CCOc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000340445165 334203729 /nfs/dbraw/zinc/20/37/29/334203729.db2.gz LKROZEBFMSQLCU-LAUBAEHRSA-N 0 3 322.452 5.171 20 30 DKEDHN CCOc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340445166 334203793 /nfs/dbraw/zinc/20/37/93/334203793.db2.gz LKROZEBFMSQLCU-UTKZUKDTSA-N 0 3 322.452 5.171 20 30 DKEDHN CCOc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340445167 334203823 /nfs/dbraw/zinc/20/38/23/334203823.db2.gz LKROZEBFMSQLCU-UWJYYQICSA-N 0 3 322.452 5.171 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340445484 334203982 /nfs/dbraw/zinc/20/39/82/334203982.db2.gz DUDDDBYHASELKJ-HTAPYJJXSA-N 0 3 318.464 5.650 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340445485 334203952 /nfs/dbraw/zinc/20/39/52/334203952.db2.gz DUDDDBYHASELKJ-JTSKRJEESA-N 0 3 318.464 5.650 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340445486 334203974 /nfs/dbraw/zinc/20/39/74/334203974.db2.gz DUDDDBYHASELKJ-VGOFRKELSA-N 0 3 318.464 5.650 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000340445487 334203972 /nfs/dbraw/zinc/20/39/72/334203972.db2.gz DUDDDBYHASELKJ-VGSWGCGISA-N 0 3 318.464 5.650 20 30 DKEDHN CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000340445488 334203947 /nfs/dbraw/zinc/20/39/47/334203947.db2.gz DURTTYOKKKKNHK-PMACEKPBSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000340445489 334203976 /nfs/dbraw/zinc/20/39/76/334203976.db2.gz DURTTYOKKKKNHK-UXHICEINSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000340445490 334203960 /nfs/dbraw/zinc/20/39/60/334203960.db2.gz DURTTYOKKKKNHK-VQTJNVASSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000340445491 334203949 /nfs/dbraw/zinc/20/39/49/334203949.db2.gz DURTTYOKKKKNHK-WOJBJXKFSA-N 0 3 310.416 5.302 20 30 DKEDHN N#CCCC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000340445554 334203244 /nfs/dbraw/zinc/20/32/44/334203244.db2.gz FIAQUKZPQAPTLP-LEWJYISDSA-N 0 3 322.427 5.228 20 30 DKEDHN N#CCCC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000340445560 334203241 /nfs/dbraw/zinc/20/32/41/334203241.db2.gz FIAQUKZPQAPTLP-NHCUHLMSSA-N 0 3 322.427 5.228 20 30 DKEDHN N#CCCC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000340445562 334203238 /nfs/dbraw/zinc/20/32/38/334203238.db2.gz FIAQUKZPQAPTLP-RTWAWAEBSA-N 0 3 322.427 5.228 20 30 DKEDHN N#CCCC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000340445563 334203246 /nfs/dbraw/zinc/20/32/46/334203246.db2.gz FIAQUKZPQAPTLP-SFTDATJTSA-N 0 3 322.427 5.228 20 30 DKEDHN CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000340446433 334203584 /nfs/dbraw/zinc/20/35/84/334203584.db2.gz ONZZMKXUQMAILA-PMACEKPBSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000340446434 334203722 /nfs/dbraw/zinc/20/37/22/334203722.db2.gz ONZZMKXUQMAILA-UXHICEINSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000340446435 334203659 /nfs/dbraw/zinc/20/36/59/334203659.db2.gz ONZZMKXUQMAILA-VQTJNVASSA-N 0 3 310.416 5.302 20 30 DKEDHN CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000340446436 334203624 /nfs/dbraw/zinc/20/36/24/334203624.db2.gz ONZZMKXUQMAILA-WOJBJXKFSA-N 0 3 310.416 5.302 20 30 DKEDHN CCC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000340447180 334204379 /nfs/dbraw/zinc/20/43/79/334204379.db2.gz PFEJFBYZNMPECX-MOPGFXCFSA-N 0 3 312.482 5.614 20 30 DKEDHN CCC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000340447181 334204248 /nfs/dbraw/zinc/20/42/48/334204248.db2.gz PFEJFBYZNMPECX-OALUTQOASA-N 0 3 312.482 5.614 20 30 DKEDHN CCC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000340447182 334204236 /nfs/dbraw/zinc/20/42/36/334204236.db2.gz PFEJFBYZNMPECX-RBUKOAKNSA-N 0 3 312.482 5.614 20 30 DKEDHN CCC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000340447183 334204270 /nfs/dbraw/zinc/20/42/70/334204270.db2.gz PFEJFBYZNMPECX-RTBURBONSA-N 0 3 312.482 5.614 20 30 DKEDHN CCOc1ccccc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340447184 334204312 /nfs/dbraw/zinc/20/43/12/334204312.db2.gz PFJAWFUPHOQSBY-FXAWDEMLSA-N 0 3 322.452 5.171 20 30 DKEDHN CCOc1ccccc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340447185 334204295 /nfs/dbraw/zinc/20/42/95/334204295.db2.gz PFJAWFUPHOQSBY-PXNSSMCTSA-N 0 3 322.452 5.171 20 30 DKEDHN CCOc1ccccc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340447186 334204340 /nfs/dbraw/zinc/20/43/40/334204340.db2.gz PFJAWFUPHOQSBY-XLIONFOSSA-N 0 3 322.452 5.171 20 30 DKEDHN CCOc1ccccc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340447187 334204361 /nfs/dbraw/zinc/20/43/61/334204361.db2.gz PFJAWFUPHOQSBY-YLJYHZDGSA-N 0 3 322.452 5.171 20 30 DKEDHN CSc1ccccc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340447320 334204254 /nfs/dbraw/zinc/20/42/54/334204254.db2.gz PQZJLDPRLAITFA-APWZRJJASA-N 0 3 324.493 5.494 20 30 DKEDHN CSc1ccccc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340447321 334204301 /nfs/dbraw/zinc/20/43/01/334204301.db2.gz PQZJLDPRLAITFA-LPHOPBHVSA-N 0 3 324.493 5.494 20 30 DKEDHN CSc1ccccc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340447322 334204366 /nfs/dbraw/zinc/20/43/66/334204366.db2.gz PQZJLDPRLAITFA-QFBILLFUSA-N 0 3 324.493 5.494 20 30 DKEDHN CSc1ccccc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340447323 334204390 /nfs/dbraw/zinc/20/43/90/334204390.db2.gz PQZJLDPRLAITFA-VQIMIIECSA-N 0 3 324.493 5.494 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000340448039 334204500 /nfs/dbraw/zinc/20/45/00/334204500.db2.gz IRMJZYQJTAISGS-AUUYWEPGSA-N 0 3 314.379 5.051 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000340448041 334204524 /nfs/dbraw/zinc/20/45/24/334204524.db2.gz IRMJZYQJTAISGS-IFXJQAMLSA-N 0 3 314.379 5.051 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000340448043 334204441 /nfs/dbraw/zinc/20/44/41/334204441.db2.gz IRMJZYQJTAISGS-KUHUBIRLSA-N 0 3 314.379 5.051 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000340448044 334204533 /nfs/dbraw/zinc/20/45/33/334204533.db2.gz IRMJZYQJTAISGS-LIRRHRJNSA-N 0 3 314.379 5.051 20 30 DKEDHN CSc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340449322 334205337 /nfs/dbraw/zinc/20/53/37/334205337.db2.gz UOTOQBQPHIHHOB-JXFKEZNVSA-N 0 3 324.493 5.494 20 30 DKEDHN CSc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000340449323 334205441 /nfs/dbraw/zinc/20/54/41/334205441.db2.gz UOTOQBQPHIHHOB-OXJNMPFZSA-N 0 3 324.493 5.494 20 30 DKEDHN CSc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000340449325 334205486 /nfs/dbraw/zinc/20/54/86/334205486.db2.gz UOTOQBQPHIHHOB-OXQOHEQNSA-N 0 3 324.493 5.494 20 30 DKEDHN CSc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340449327 334205513 /nfs/dbraw/zinc/20/55/13/334205513.db2.gz UOTOQBQPHIHHOB-UZLBHIALSA-N 0 3 324.493 5.494 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000340449457 334205508 /nfs/dbraw/zinc/20/55/08/334205508.db2.gz VISPDJMUFYZLIT-HTAPYJJXSA-N 0 3 318.464 5.261 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000340449471 334205449 /nfs/dbraw/zinc/20/54/49/334205449.db2.gz VISPDJMUFYZLIT-JTSKRJEESA-N 0 3 318.464 5.261 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000340449473 334205461 /nfs/dbraw/zinc/20/54/61/334205461.db2.gz VISPDJMUFYZLIT-VGOFRKELSA-N 0 3 318.464 5.261 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000340449475 334205464 /nfs/dbraw/zinc/20/54/64/334205464.db2.gz VISPDJMUFYZLIT-VGSWGCGISA-N 0 3 318.464 5.261 20 30 DKEDHN CC1(C)Cc2occc2[C@@H](N[C@H](CCCC#N)c2ccccc2)C1 ZINC000340450318 334204782 /nfs/dbraw/zinc/20/47/82/334204782.db2.gz XDFQLJIPGFWDOQ-MOPGFXCFSA-N 0 3 322.452 5.318 20 30 DKEDHN CC1(C)Cc2occc2[C@@H](N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000340450321 334204864 /nfs/dbraw/zinc/20/48/64/334204864.db2.gz XDFQLJIPGFWDOQ-OALUTQOASA-N 0 3 322.452 5.318 20 30 DKEDHN CC1(C)Cc2occc2[C@H](N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000340450322 334204852 /nfs/dbraw/zinc/20/48/52/334204852.db2.gz XDFQLJIPGFWDOQ-RBUKOAKNSA-N 0 3 322.452 5.318 20 30 DKEDHN CC1(C)Cc2occc2[C@H](N[C@H](CCCC#N)c2ccccc2)C1 ZINC000340450323 334204768 /nfs/dbraw/zinc/20/47/68/334204768.db2.gz XDFQLJIPGFWDOQ-RTBURBONSA-N 0 3 322.452 5.318 20 30 DKEDHN N#CCCC[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000340450324 334204858 /nfs/dbraw/zinc/20/48/58/334204858.db2.gz XEHRPJUUCADNJX-LEWJYISDSA-N 0 3 322.427 5.228 20 30 DKEDHN N#CCCC[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000340450325 334204866 /nfs/dbraw/zinc/20/48/66/334204866.db2.gz XEHRPJUUCADNJX-NHCUHLMSSA-N 0 3 322.427 5.228 20 30 DKEDHN N#CCCC[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000340450327 334204856 /nfs/dbraw/zinc/20/48/56/334204856.db2.gz XEHRPJUUCADNJX-RTWAWAEBSA-N 0 3 322.427 5.228 20 30 DKEDHN N#CCCC[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000340450328 334204840 /nfs/dbraw/zinc/20/48/40/334204840.db2.gz XEHRPJUUCADNJX-SFTDATJTSA-N 0 3 322.427 5.228 20 30 DKEDHN CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340450957 334205216 /nfs/dbraw/zinc/20/52/16/334205216.db2.gz YPZIBSMIDPIIAT-LEWJYISDSA-N 0 3 317.436 5.034 20 30 DKEDHN CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340450968 334205171 /nfs/dbraw/zinc/20/51/71/334205171.db2.gz YPZIBSMIDPIIAT-NHCUHLMSSA-N 0 3 317.436 5.034 20 30 DKEDHN CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340450970 334205127 /nfs/dbraw/zinc/20/51/27/334205127.db2.gz YPZIBSMIDPIIAT-RTWAWAEBSA-N 0 3 317.436 5.034 20 30 DKEDHN CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340450971 334205176 /nfs/dbraw/zinc/20/51/76/334205176.db2.gz YPZIBSMIDPIIAT-SFTDATJTSA-N 0 3 317.436 5.034 20 30 DKEDHN Cc1ccc2c(c1)[C@H](N[C@@H](CCCC#N)c1ccccc1)CC2 ZINC000340451834 334205863 /nfs/dbraw/zinc/20/58/63/334205863.db2.gz PDRRLQXBDJUIHP-LEWJYISDSA-N 0 3 304.437 5.007 20 30 DKEDHN Cc1ccc2c(c1)[C@H](N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000340451835 334205957 /nfs/dbraw/zinc/20/59/57/334205957.db2.gz PDRRLQXBDJUIHP-NHCUHLMSSA-N 0 3 304.437 5.007 20 30 DKEDHN Cc1ccc2c(c1)[C@@H](N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000340451836 334205951 /nfs/dbraw/zinc/20/59/51/334205951.db2.gz PDRRLQXBDJUIHP-RTWAWAEBSA-N 0 3 304.437 5.007 20 30 DKEDHN Cc1ccc2c(c1)[C@@H](N[C@@H](CCCC#N)c1ccccc1)CC2 ZINC000340451837 334205879 /nfs/dbraw/zinc/20/58/79/334205879.db2.gz PDRRLQXBDJUIHP-SFTDATJTSA-N 0 3 304.437 5.007 20 30 DKEDHN Cc1cc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000340451869 334205876 /nfs/dbraw/zinc/20/58/76/334205876.db2.gz PXAYDCSJTVNRHL-BEFAXECRSA-N 0 3 312.482 5.451 20 30 DKEDHN Cc1cc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000340451870 334205962 /nfs/dbraw/zinc/20/59/62/334205962.db2.gz PXAYDCSJTVNRHL-DNVCBOLYSA-N 0 3 312.482 5.451 20 30 DKEDHN Cc1cc([C@H](C)N[C@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000340451871 334205851 /nfs/dbraw/zinc/20/58/51/334205851.db2.gz PXAYDCSJTVNRHL-HNAYVOBHSA-N 0 3 312.482 5.451 20 30 DKEDHN Cc1cc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000340451872 334205816 /nfs/dbraw/zinc/20/58/16/334205816.db2.gz PXAYDCSJTVNRHL-KXBFYZLASA-N 0 3 312.482 5.451 20 30 DKEDHN Cc1cccc2c1CC[C@H]2N[C@@H](CCCC#N)c1ccccc1 ZINC000340453966 334206474 /nfs/dbraw/zinc/20/64/74/334206474.db2.gz SMVILZRNSQZBDD-LEWJYISDSA-N 0 3 304.437 5.007 20 30 DKEDHN Cc1cccc2c1CC[C@H]2N[C@H](CCCC#N)c1ccccc1 ZINC000340453968 334206567 /nfs/dbraw/zinc/20/65/67/334206567.db2.gz SMVILZRNSQZBDD-NHCUHLMSSA-N 0 3 304.437 5.007 20 30 DKEDHN Cc1cccc2c1CC[C@@H]2N[C@H](CCCC#N)c1ccccc1 ZINC000340453970 334206589 /nfs/dbraw/zinc/20/65/89/334206589.db2.gz SMVILZRNSQZBDD-RTWAWAEBSA-N 0 3 304.437 5.007 20 30 DKEDHN Cc1cccc2c1CC[C@@H]2N[C@@H](CCCC#N)c1ccccc1 ZINC000340453971 334206512 /nfs/dbraw/zinc/20/65/12/334206512.db2.gz SMVILZRNSQZBDD-SFTDATJTSA-N 0 3 304.437 5.007 20 30 DKEDHN COc1ccc(C)cc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340457861 334207607 /nfs/dbraw/zinc/20/76/07/334207607.db2.gz WLFMPAREOADLEZ-FXAWDEMLSA-N 0 3 322.452 5.089 20 30 DKEDHN COc1ccc(C)cc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340457865 334207699 /nfs/dbraw/zinc/20/76/99/334207699.db2.gz WLFMPAREOADLEZ-PXNSSMCTSA-N 0 3 322.452 5.089 20 30 DKEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340457868 334207578 /nfs/dbraw/zinc/20/75/78/334207578.db2.gz WLFMPAREOADLEZ-XLIONFOSSA-N 0 3 322.452 5.089 20 30 DKEDHN COc1ccc(C)cc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340457872 334207556 /nfs/dbraw/zinc/20/75/56/334207556.db2.gz WLFMPAREOADLEZ-YLJYHZDGSA-N 0 3 322.452 5.089 20 30 DKEDHN CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000340458047 334207550 /nfs/dbraw/zinc/20/75/50/334207550.db2.gz XNZLTLHXGLDMFV-LEWJYISDSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000340458048 334207688 /nfs/dbraw/zinc/20/76/88/334207688.db2.gz XNZLTLHXGLDMFV-NHCUHLMSSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000340458049 334207668 /nfs/dbraw/zinc/20/76/68/334207668.db2.gz XNZLTLHXGLDMFV-RTWAWAEBSA-N 0 3 322.452 5.171 20 30 DKEDHN CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000340458050 334207672 /nfs/dbraw/zinc/20/76/72/334207672.db2.gz XNZLTLHXGLDMFV-SFTDATJTSA-N 0 3 322.452 5.171 20 30 DKEDHN C=CCC[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340523221 334229082 /nfs/dbraw/zinc/22/90/82/334229082.db2.gz CDHMPBOJKGCIKC-LEWJYISDSA-N 0 3 307.437 5.067 20 30 DKEDHN C=CCC[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340523254 334229073 /nfs/dbraw/zinc/22/90/73/334229073.db2.gz CDHMPBOJKGCIKC-NHCUHLMSSA-N 0 3 307.437 5.067 20 30 DKEDHN C=CCC[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340523256 334229058 /nfs/dbraw/zinc/22/90/58/334229058.db2.gz CDHMPBOJKGCIKC-RTWAWAEBSA-N 0 3 307.437 5.067 20 30 DKEDHN C=CCC[C@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340523257 334229077 /nfs/dbraw/zinc/22/90/77/334229077.db2.gz CDHMPBOJKGCIKC-SFTDATJTSA-N 0 3 307.437 5.067 20 30 DKEDHN CCC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341752982 334476843 /nfs/dbraw/zinc/47/68/43/334476843.db2.gz ZOGPTDQNHIIPBN-LEWJYISDSA-N 0 3 304.437 5.067 20 30 DKEDHN CCC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341752983 334476760 /nfs/dbraw/zinc/47/67/60/334476760.db2.gz ZOGPTDQNHIIPBN-NHCUHLMSSA-N 0 3 304.437 5.067 20 30 DKEDHN CCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341752985 334476788 /nfs/dbraw/zinc/47/67/88/334476788.db2.gz ZOGPTDQNHIIPBN-SFTDATJTSA-N 0 3 304.437 5.067 20 30 DKEDHN C=CCC[C@H](NCc1cc(F)cc2cccnc21)c1ccccc1 ZINC000341937692 334494328 /nfs/dbraw/zinc/49/43/28/334494328.db2.gz BWLOZLFFKXWWKQ-FQEVSTJZSA-N 0 3 320.411 5.171 20 30 DKEDHN N#CCC[C@@H](NC1CC(c2ccccc2Cl)C1)c1ccccc1 ZINC000352694173 336230832 /nfs/dbraw/zinc/23/08/32/336230832.db2.gz VXSYNKWMWFMJQN-LBXVMSDZSA-N 0 3 324.855 5.221 20 30 DKEDHN N#CCC[C@H](NC1CC(c2ccccc2Cl)C1)c1ccccc1 ZINC000352694174 336230893 /nfs/dbraw/zinc/23/08/93/336230893.db2.gz VXSYNKWMWFMJQN-UHYCVJNDSA-N 0 3 324.855 5.221 20 30 DKEDHN N#CCCC[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000353911809 336447486 /nfs/dbraw/zinc/44/74/86/336447486.db2.gz CWWXFDWRCTYBDQ-GOSISDBHSA-N 0 3 316.807 5.004 20 30 DKEDHN N#CCCC[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000353911813 336447479 /nfs/dbraw/zinc/44/74/79/336447479.db2.gz CWWXFDWRCTYBDQ-SFHVURJKSA-N 0 3 316.807 5.004 20 30 DKEDHN N#CCCC[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1 ZINC000353913999 336447657 /nfs/dbraw/zinc/44/76/57/336447657.db2.gz JTQJFPXPKQYZQG-GOSISDBHSA-N 0 3 314.379 5.149 20 30 DKEDHN N#CCCC[C@H](NCc1csc2ccccc12)c1ccccc1 ZINC000353916516 336447998 /nfs/dbraw/zinc/44/79/98/336447998.db2.gz QKKOFXZXMDEJLF-IBGZPJMESA-N 0 3 320.461 5.426 20 30 DKEDHN N#CCCC[C@@H](NCc1csc2ccccc12)c1ccccc1 ZINC000353916525 336447989 /nfs/dbraw/zinc/44/79/89/336447989.db2.gz QKKOFXZXMDEJLF-LJQANCHMSA-N 0 3 320.461 5.426 20 30 DKEDHN N#CCCC[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000353916630 336448090 /nfs/dbraw/zinc/44/80/90/336448090.db2.gz QXIXEODOOBTYRI-SFHVURJKSA-N 0 3 316.807 5.004 20 30 DKEDHN Cc1cc(CN[C@@H](CCCC#N)c2ccccc2)ccc1Cl ZINC000353918625 336448165 /nfs/dbraw/zinc/44/81/65/336448165.db2.gz ZGLQDTAUWSKRPR-IBGZPJMESA-N 0 3 312.844 5.173 20 30 DKEDHN Cc1ccc2c(c1)[C@H](N[C@@H](CCC#N)c1ccccc1)CCC2 ZINC000358336078 336624637 /nfs/dbraw/zinc/62/46/37/336624637.db2.gz CAQQMRDIIKFMGB-LEWJYISDSA-N 0 3 304.437 5.007 20 30 DKEDHN CCc1ccc([C@@H](CC)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000358340934 336624864 /nfs/dbraw/zinc/62/48/64/336624864.db2.gz MZSUJDDOMWLQDW-RTWAWAEBSA-N 0 3 306.453 5.335 20 30 DKEDHN CCc1ccc([C@H](CC)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000358340936 336624810 /nfs/dbraw/zinc/62/48/10/336624810.db2.gz MZSUJDDOMWLQDW-SFTDATJTSA-N 0 3 306.453 5.335 20 30 DKEDHN C[C@@H]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000358350154 336625512 /nfs/dbraw/zinc/62/55/12/336625512.db2.gz ZOUIISCCCSQVPI-CZAAIQMYSA-N 0 3 304.437 5.260 20 30 DKEDHN C[C@@H]1CC[C@H](N[C@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000358350162 336625533 /nfs/dbraw/zinc/62/55/33/336625533.db2.gz ZOUIISCCCSQVPI-HBGVWJBISA-N 0 3 304.437 5.260 20 30 DKEDHN C[C@@H]1CC[C@@H](N[C@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000358350165 336625600 /nfs/dbraw/zinc/62/56/00/336625600.db2.gz ZOUIISCCCSQVPI-MAODMQOUSA-N 0 3 304.437 5.260 20 30 DKEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc3ccccc32)cc1 ZINC000391732543 335085372 /nfs/dbraw/zinc/08/53/72/335085372.db2.gz DYUJTODEJCISNU-KRWDZBQOSA-N 0 3 317.432 5.255 20 30 DKEDHN CSc1ccccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417354927 334707106 /nfs/dbraw/zinc/70/71/06/334707106.db2.gz AELAIHCEEAKYJY-AUUYWEPGSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417354937 334707035 /nfs/dbraw/zinc/70/70/35/334707035.db2.gz AELAIHCEEAKYJY-IFXJQAMLSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417354938 334707110 /nfs/dbraw/zinc/70/71/10/334707110.db2.gz AELAIHCEEAKYJY-KUHUBIRLSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417354939 334707209 /nfs/dbraw/zinc/70/72/09/334707209.db2.gz AELAIHCEEAKYJY-LIRRHRJNSA-N 0 3 322.477 5.008 20 30 DKEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1csc(Cl)c1 ZINC000417375576 334765191 /nfs/dbraw/zinc/76/51/91/334765191.db2.gz ZGTVMEFLTMRFRK-BDJLRTHQSA-N 0 3 316.857 5.001 20 30 DKEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1csc(Cl)c1 ZINC000417375578 334765283 /nfs/dbraw/zinc/76/52/83/334765283.db2.gz ZGTVMEFLTMRFRK-MEDUHNTESA-N 0 3 316.857 5.001 20 30 DKEDHN N#Cc1ccc(CN[C@@H]2CCCc3c4ccccc4sc32)s1 ZINC000421887052 337655103 /nfs/dbraw/zinc/65/51/03/337655103.db2.gz SGMHJNLPKZLKQO-MRXNPFEDSA-N 0 3 324.474 5.002 20 30 DKEDHN C[C@@H](N[C@H]1CCCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000426321379 338026711 /nfs/dbraw/zinc/02/67/11/338026711.db2.gz CLMHKIMMAQQSJR-ABAIWWIYSA-N 0 3 316.857 5.001 20 30 DKEDHN C[C@@H](N[C@@H]1CCCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000426321380 338026947 /nfs/dbraw/zinc/02/69/47/338026947.db2.gz CLMHKIMMAQQSJR-IAQYHMDHSA-N 0 3 316.857 5.001 20 30 DKEDHN C[C@H](N[C@H]1CCCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000426321381 338026850 /nfs/dbraw/zinc/02/68/50/338026850.db2.gz CLMHKIMMAQQSJR-NHYWBVRUSA-N 0 3 316.857 5.001 20 30 DKEDHN C[C@H](N[C@@H]1CCCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000426321382 338026876 /nfs/dbraw/zinc/02/68/76/338026876.db2.gz CLMHKIMMAQQSJR-XHDPSFHLSA-N 0 3 316.857 5.001 20 30 DKEDHN CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000427870200 332551366 /nfs/dbraw/zinc/55/13/66/332551366.db2.gz ZBLFFRLSIGNGSO-BTYIYWSLSA-N 0 3 304.437 5.020 20 30 DKEDHN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000427870204 332551345 /nfs/dbraw/zinc/55/13/45/332551345.db2.gz ZBLFFRLSIGNGSO-VFNWGFHPSA-N 0 3 304.437 5.020 20 30 DKEDHN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000427870206 332551468 /nfs/dbraw/zinc/55/14/68/332551468.db2.gz ZBLFFRLSIGNGSO-YCRPNKLZSA-N 0 3 304.437 5.020 20 30 DKEDHN CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CC2 ZINC000427870572 332551361 /nfs/dbraw/zinc/55/13/61/332551361.db2.gz VMMLVCBLWAGRPG-LHSJRXKWSA-N 0 3 322.427 5.159 20 30 DKEDHN CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)CC2 ZINC000427870578 332551374 /nfs/dbraw/zinc/55/13/74/332551374.db2.gz VMMLVCBLWAGRPG-SZNDQCEHSA-N 0 3 322.427 5.159 20 30 DKEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(SC2CCCC2)cc1 ZINC000430745781 338113016 /nfs/dbraw/zinc/11/30/16/338113016.db2.gz FKJVRBQYCQDMHC-HNNXBMFYSA-N 0 3 314.498 5.066 20 30 DKEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(SC2CCCC2)cc1 ZINC000430745784 338113041 /nfs/dbraw/zinc/11/30/41/338113041.db2.gz FKJVRBQYCQDMHC-OAHLLOKOSA-N 0 3 314.498 5.066 20 30 DKEDHN CC[C@H](CC#N)NC1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432920035 338173175 /nfs/dbraw/zinc/17/31/75/338173175.db2.gz WSDPITYBZARJLB-BLDCVEFLSA-N 0 3 324.390 5.013 20 30 DKEDHN CC[C@@H](CC#N)NC1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432920039 338173078 /nfs/dbraw/zinc/17/30/78/338173078.db2.gz WSDPITYBZARJLB-PWZRNIHTSA-N 0 3 324.390 5.013 20 30 DKEDHN Cc1cc(C)c(CN[C@@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433014119 338176324 /nfs/dbraw/zinc/17/63/24/338176324.db2.gz QWUUNYBPLXMYDZ-NRFANRHFSA-N 0 3 306.453 5.137 20 30 DKEDHN Cc1cc(C)c(CN[C@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433014120 338176260 /nfs/dbraw/zinc/17/62/60/338176260.db2.gz QWUUNYBPLXMYDZ-OAQYLSRUSA-N 0 3 306.453 5.137 20 30 DKEDHN N#CCCC[C@@H](NCc1cccc(C(F)F)c1)c1ccccc1 ZINC000433022109 338176690 /nfs/dbraw/zinc/17/66/90/338176690.db2.gz TVPMCZCPVHQGOV-GOSISDBHSA-N 0 3 314.379 5.149 20 30 DKEDHN N#CCCC[C@H](NCc1cccc(C(F)F)c1)c1ccccc1 ZINC000433022112 338176711 /nfs/dbraw/zinc/17/67/11/338176711.db2.gz TVPMCZCPVHQGOV-SFHVURJKSA-N 0 3 314.379 5.149 20 30 DKEDHN CC(C)(C#N)CCCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000434903796 338227467 /nfs/dbraw/zinc/22/74/67/338227467.db2.gz BZGRCTUGLYACAT-UHFFFAOYSA-N 0 3 320.427 5.039 20 30 DKEDHN C=CCC[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436282635 338265623 /nfs/dbraw/zinc/26/56/23/338265623.db2.gz HWYBPFXKJKOZAZ-IBGZPJMESA-N 0 3 308.400 5.104 20 30 DKEDHN C=CCC[C@@H](NCc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436282636 338265700 /nfs/dbraw/zinc/26/57/00/338265700.db2.gz HWYBPFXKJKOZAZ-LJQANCHMSA-N 0 3 308.400 5.104 20 30 DKEDHN C=CCC[C@H](NCc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000437773774 338320809 /nfs/dbraw/zinc/32/08/09/338320809.db2.gz JZKHPLFSPITMBB-NRFANRHFSA-N 0 3 316.448 5.340 20 30 DKEDHN C=CCC[C@@H](NCc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000437773777 338320778 /nfs/dbraw/zinc/32/07/78/338320778.db2.gz JZKHPLFSPITMBB-OAQYLSRUSA-N 0 3 316.448 5.340 20 30 DKEDHN Cc1ccccc1[C@@H](NCc1ccc(C#N)cc1Cl)C(C)C ZINC000439450400 338369842 /nfs/dbraw/zinc/36/98/42/338369842.db2.gz KSOPDGWTOGYPCB-IBGZPJMESA-N 0 3 312.844 5.007 20 30 DKEDHN CSc1ccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000439466538 338370313 /nfs/dbraw/zinc/37/03/13/338370313.db2.gz HPLNZXYEYDPYOY-OAHLLOKOSA-N 0 3 324.493 5.060 20 30 DKEDHN CC(C)(C)c1ccc(-c2ccc(CNCCCCC#N)o2)cc1 ZINC000439475301 338370827 /nfs/dbraw/zinc/37/08/27/338370827.db2.gz OOKHXIHWJHXRPQ-UHFFFAOYSA-N 0 3 310.441 5.028 20 30 DKEDHN CSc1ccccc1[C@H](C)NCc1ccccc1C(C)(C)C#N ZINC000440626197 338393043 /nfs/dbraw/zinc/39/30/43/338393043.db2.gz NMDNCKZGJPNYTB-HNNXBMFYSA-N 0 3 324.493 5.060 20 30 DKEDHN CCCc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccs2)cc1 ZINC000442640018 338426489 /nfs/dbraw/zinc/42/64/89/338426489.db2.gz ZIZARMWGGFGMQN-HQRMLTQVSA-N 0 3 324.493 5.072 20 30 DKEDHN CC(C)(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442852375 338434819 /nfs/dbraw/zinc/43/48/19/338434819.db2.gz XWYPAPNDVHLQMC-DAXOMENPSA-N 0 3 324.390 5.074 20 30 DKEDHN CC(C)(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442852377 338434882 /nfs/dbraw/zinc/43/48/82/338434882.db2.gz XWYPAPNDVHLQMC-VBNZEHGJSA-N 0 3 324.390 5.074 20 30 DKEDHN C[C@H](NCC1CCC(C#N)CC1)c1cc(Cl)sc1Cl ZINC000442865615 338436111 /nfs/dbraw/zinc/43/61/11/338436111.db2.gz IONMFJKLKXFDTK-WHXUTIOJSA-N 0 3 317.285 5.035 20 30 DKEDHN CC[C@@H](N[C@@H](C)c1ccccc1SC)c1ccc(C#N)cc1 ZINC000442867557 338436274 /nfs/dbraw/zinc/43/62/74/338436274.db2.gz YYURRVZFFPWYJZ-KBXCAEBGSA-N 0 3 310.466 5.082 20 30 DKEDHN CC[C@H](N[C@@H](C)c1ccccc1SC)c1ccc(C#N)cc1 ZINC000442867558 338436214 /nfs/dbraw/zinc/43/62/14/338436214.db2.gz YYURRVZFFPWYJZ-KSSFIOAISA-N 0 3 310.466 5.082 20 30 DKEDHN CC(C)(C#N)CCCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000444668607 338480720 /nfs/dbraw/zinc/48/07/20/338480720.db2.gz VXAVBZFFKAJGAZ-FQEVSTJZSA-N 0 3 324.443 5.225 20 30 DKEDHN CC(C)(C#N)CCCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000444668612 338480539 /nfs/dbraw/zinc/48/05/39/338480539.db2.gz VXAVBZFFKAJGAZ-HXUWFJFHSA-N 0 3 324.443 5.225 20 30 DKEDHN C[C@@H](NCCCCC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000444670994 338480815 /nfs/dbraw/zinc/48/08/15/338480815.db2.gz CGLWIGKEJBXKEW-GFCCVEGCSA-N 0 3 313.272 5.364 20 30 DKEDHN CCC[C@H](NCCCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000444677728 517613214 /nfs/dbraw/zinc/61/32/14/517613214.db2.gz URTLGINZDMEOKR-KRWDZBQOSA-N 0 3 308.416 5.116 20 30 DKEDHN CCC[C@@H](NCCCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000444677733 332696861 /nfs/dbraw/zinc/69/68/61/332696861.db2.gz URTLGINZDMEOKR-QGZVFWFLSA-N 0 3 308.416 5.116 20 30 DKEDHN C[C@@H](NCCCCC(C)(C)C#N)c1cccc(Cl)c1Cl ZINC000444683348 338482017 /nfs/dbraw/zinc/48/20/17/338482017.db2.gz GAGYIDRTDFZYJL-GFCCVEGCSA-N 0 3 313.272 5.364 20 30 DKEDHN C[C@H](NCCCCC(C)(C)C#N)c1cccc(Cl)c1Cl ZINC000444683349 338482009 /nfs/dbraw/zinc/48/20/09/338482009.db2.gz GAGYIDRTDFZYJL-LBPRGKRZSA-N 0 3 313.272 5.364 20 30 DKEDHN CC[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447512023 338553264 /nfs/dbraw/zinc/55/32/64/338553264.db2.gz WPTJPMFVYIUGIB-VQTJNVASSA-N 0 3 324.855 5.404 20 30 DKEDHN CC[C@H](N[C@@H](c1ccc(OC)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000447513663 338553400 /nfs/dbraw/zinc/55/34/00/338553400.db2.gz YAGRNTFQFIWCSQ-LEWJYISDSA-N 0 3 322.452 5.005 20 30 DKEDHN CC[C@H](N[C@H](c1ccc(OC)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000447513666 338553397 /nfs/dbraw/zinc/55/33/97/338553397.db2.gz YAGRNTFQFIWCSQ-SFTDATJTSA-N 0 3 322.452 5.005 20 30 DKEDHN CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 ZINC000447517592 338553588 /nfs/dbraw/zinc/55/35/88/338553588.db2.gz SWQTUIIFNSSMAQ-KBXCAEBGSA-N 0 3 304.393 5.106 20 30 DKEDHN CC[C@@H](N[C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000447525569 338553943 /nfs/dbraw/zinc/55/39/43/338553943.db2.gz ARAIATSKDGGPDP-KBXCAEBGSA-N 0 3 320.461 5.575 20 30 DKEDHN CC[C@H](N[C@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000447525570 338553985 /nfs/dbraw/zinc/55/39/85/338553985.db2.gz ARAIATSKDGGPDP-KDOFPFPSSA-N 0 3 320.461 5.575 20 30 DKEDHN CC[C@H](N[C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000447525571 338553897 /nfs/dbraw/zinc/55/38/97/338553897.db2.gz ARAIATSKDGGPDP-KSSFIOAISA-N 0 3 320.461 5.575 20 30 DKEDHN CC[C@@H](N[C@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000447525572 338553965 /nfs/dbraw/zinc/55/39/65/338553965.db2.gz ARAIATSKDGGPDP-RDTXWAMCSA-N 0 3 320.461 5.575 20 30 DKEDHN CC[C@@H](N[C@@H](CC)c1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000447526011 338553882 /nfs/dbraw/zinc/55/38/82/338553882.db2.gz BSRSNJWATAMUPI-CABCVRRESA-N 0 3 318.873 5.465 20 30 DKEDHN CC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000447526012 338553963 /nfs/dbraw/zinc/55/39/63/338553963.db2.gz BSRSNJWATAMUPI-GJZGRUSLSA-N 0 3 318.873 5.465 20 30 DKEDHN CC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000447526013 338553972 /nfs/dbraw/zinc/55/39/72/338553972.db2.gz BSRSNJWATAMUPI-HUUCEWRRSA-N 0 3 318.873 5.465 20 30 DKEDHN CC[C@H](N[C@@H](c1ccccc1C)C1CC1)c1ccc(C#N)cc1 ZINC000447526553 338553889 /nfs/dbraw/zinc/55/38/89/338553889.db2.gz CXBNMMIZFPNZEV-LEWJYISDSA-N 0 3 304.437 5.059 20 30 DKEDHN CC[C@@H](N[C@H](c1ccccc1C)C1CC1)c1ccc(C#N)cc1 ZINC000447526555 338553953 /nfs/dbraw/zinc/55/39/53/338553953.db2.gz CXBNMMIZFPNZEV-RTWAWAEBSA-N 0 3 304.437 5.059 20 30 DKEDHN CC[C@H](N[C@H](c1ccccc1C)C1CC1)c1ccc(C#N)cc1 ZINC000447526556 338553925 /nfs/dbraw/zinc/55/39/25/338553925.db2.gz CXBNMMIZFPNZEV-SFTDATJTSA-N 0 3 304.437 5.059 20 30 DKEDHN CC[C@@H](N[C@H](CC(C)C)c1cccs1)c1ccc(C#N)cc1 ZINC000447527678 338554114 /nfs/dbraw/zinc/55/41/14/338554114.db2.gz FRZJYGCVYJVFLN-QZTJIDSGSA-N 0 3 312.482 5.448 20 30 DKEDHN CC[C@H](N[C@@H](CC(C)C)c1cccs1)c1ccc(C#N)cc1 ZINC000447527680 338554088 /nfs/dbraw/zinc/55/40/88/338554088.db2.gz FRZJYGCVYJVFLN-ROUUACIJSA-N 0 3 312.482 5.448 20 30 DKEDHN CC[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000447528944 338554261 /nfs/dbraw/zinc/55/42/61/338554261.db2.gz IXSSLGFVBGGQAK-RTWAWAEBSA-N 0 3 322.427 5.279 20 30 DKEDHN CC[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1 ZINC000447531394 338554585 /nfs/dbraw/zinc/55/45/85/338554585.db2.gz PTKQGFWOVSUZRY-LEWJYISDSA-N 0 3 304.437 5.140 20 30 DKEDHN CC[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1 ZINC000447531496 338554626 /nfs/dbraw/zinc/55/46/26/338554626.db2.gz PTKQGFWOVSUZRY-RTWAWAEBSA-N 0 3 304.437 5.140 20 30 DKEDHN CC[C@@H](N[C@H](C)c1cccc(OC(C)C)c1)c1ccc(C#N)cc1 ZINC000447538013 338555134 /nfs/dbraw/zinc/55/51/34/338555134.db2.gz AHYYJWZHQFADQS-IIBYNOLFSA-N 0 3 322.452 5.147 20 30 DKEDHN CC[C@H](N[C@@H](C)c1cccc(OC(C)C)c1)c1ccc(C#N)cc1 ZINC000447538014 338555138 /nfs/dbraw/zinc/55/51/38/338555138.db2.gz AHYYJWZHQFADQS-KKSFZXQISA-N 0 3 322.452 5.147 20 30 DKEDHN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000447539382 338555415 /nfs/dbraw/zinc/55/54/15/338555415.db2.gz ADOABYMEPJYDPZ-IWMITWMQSA-N 0 3 304.437 5.093 20 30 DKEDHN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000447539383 338555457 /nfs/dbraw/zinc/55/54/57/338555457.db2.gz ADOABYMEPJYDPZ-JHVJFLLYSA-N 0 3 304.437 5.093 20 30 DKEDHN CC[C@@H](N[C@@H](CC)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447542047 338555498 /nfs/dbraw/zinc/55/54/98/338555498.db2.gz HZAXFSMKABBRBN-MOPGFXCFSA-N 0 3 312.844 5.404 20 30 DKEDHN CC[C@H](N[C@@H](CC)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447542050 338555514 /nfs/dbraw/zinc/55/55/14/338555514.db2.gz HZAXFSMKABBRBN-OALUTQOASA-N 0 3 312.844 5.404 20 30 DKEDHN CC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000447542051 338555488 /nfs/dbraw/zinc/55/54/88/338555488.db2.gz HZAXFSMKABBRBN-RBUKOAKNSA-N 0 3 312.844 5.404 20 30 DKEDHN CCOc1ccccc1[C@H](CC)N[C@H](CC)c1ccc(C#N)cc1 ZINC000447546766 338556116 /nfs/dbraw/zinc/55/61/16/338556116.db2.gz YQYABJQJDYXAIH-UXHICEINSA-N 0 3 322.452 5.149 20 30 DKEDHN CCOc1ccccc1[C@@H](CC)N[C@H](CC)c1ccc(C#N)cc1 ZINC000447546768 338555961 /nfs/dbraw/zinc/55/59/61/338555961.db2.gz YQYABJQJDYXAIH-WOJBJXKFSA-N 0 3 322.452 5.149 20 30 DKEDHN CC[C@@H](N[C@H](c1ccc(C)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447547863 338556188 /nfs/dbraw/zinc/55/61/88/338556188.db2.gz DUIJIQROAOQQJB-NHCUHLMSSA-N 0 3 304.437 5.059 20 30 DKEDHN CC[C@@H](NCc1csc2ccccc12)c1ccc(C#N)cc1 ZINC000447549009 338556228 /nfs/dbraw/zinc/55/62/28/338556228.db2.gz IYKASYBXWSZEIO-GOSISDBHSA-N 0 3 306.434 5.014 20 30 DKEDHN CC[C@@H](N[C@@H](c1ccc(F)c(C)c1)C1CC1)c1ccc(C#N)cc1 ZINC000447583584 338559115 /nfs/dbraw/zinc/55/91/15/338559115.db2.gz CACWCXIOGOZNNK-NHCUHLMSSA-N 0 3 322.427 5.198 20 30 DKEDHN C=CCC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447589610 338560152 /nfs/dbraw/zinc/56/01/52/338560152.db2.gz YOCMKPLJPRKMAC-LEWJYISDSA-N 0 3 304.437 5.306 20 30 DKEDHN C=CCC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447589611 338560139 /nfs/dbraw/zinc/56/01/39/338560139.db2.gz YOCMKPLJPRKMAC-NHCUHLMSSA-N 0 3 304.437 5.306 20 30 DKEDHN C=CCC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447589613 338560021 /nfs/dbraw/zinc/56/00/21/338560021.db2.gz YOCMKPLJPRKMAC-SFTDATJTSA-N 0 3 304.437 5.306 20 30 DKEDHN CC[C@H](NCc1ccc(C2CCC2)cc1)c1ccc(C#N)cc1 ZINC000447592316 338560431 /nfs/dbraw/zinc/56/04/31/338560431.db2.gz KPLRACDHRWBDGZ-NRFANRHFSA-N 0 3 304.437 5.067 20 30 DKEDHN CC(C)[C@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000448020059 332178572 /nfs/dbraw/zinc/17/85/72/332178572.db2.gz ADOABYMEPJYDPZ-IPHXSNPTSA-N 0 3 304.437 5.093 20 30 DKEDHN CC(C)[C@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000448027210 332197220 /nfs/dbraw/zinc/19/72/20/332197220.db2.gz LWRDLQUOPOLRAP-IPHXSNPTSA-N 0 3 304.437 5.093 20 30 DKEDHN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000448027211 332197322 /nfs/dbraw/zinc/19/73/22/332197322.db2.gz LWRDLQUOPOLRAP-IWMITWMQSA-N 0 3 304.437 5.093 20 30 DKEDHN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2ccccc21 ZINC000448034009 332304884 /nfs/dbraw/zinc/30/48/84/332304884.db2.gz ZKWIWVXGZSIPAN-UQIDSAAFSA-N 0 3 322.427 5.233 20 30 DKEDHN CC(C)[C@H]1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2ccccc21 ZINC000448034010 332304888 /nfs/dbraw/zinc/30/48/88/332304888.db2.gz ZKWIWVXGZSIPAN-YFZFPPMRSA-N 0 3 322.427 5.233 20 30 DKEDHN Cc1cccc(Cl)c1CN[C@@H](CCCC#N)c1ccccc1 ZINC000451059205 338719842 /nfs/dbraw/zinc/71/98/42/338719842.db2.gz CILQSAWDTQJBPC-IBGZPJMESA-N 0 3 312.844 5.173 20 30 DKEDHN N#CCCC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000459598511 339038073 /nfs/dbraw/zinc/03/80/73/339038073.db2.gz WTWLDXKUICFONE-NRFANRHFSA-N 0 3 304.437 5.089 20 30 DKEDHN N#CCCC[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000459598519 339037908 /nfs/dbraw/zinc/03/79/08/339037908.db2.gz WTWLDXKUICFONE-OAQYLSRUSA-N 0 3 304.437 5.089 20 30 DKEDHN C=CCC[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1 ZINC000461373438 339062424 /nfs/dbraw/zinc/06/24/24/339062424.db2.gz NLKFJXHGFIHYEA-GOSISDBHSA-N 0 3 301.380 5.421 20 30 DKEDHN C=CCC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1 ZINC000461373439 339062518 /nfs/dbraw/zinc/06/25/18/339062518.db2.gz NLKFJXHGFIHYEA-SFHVURJKSA-N 0 3 301.380 5.421 20 30 DKEDHN CCN(Cc1ccc(C(F)F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000461393986 339062828 /nfs/dbraw/zinc/06/28/28/339062828.db2.gz DFLYLDKBLHPMQO-AWEZNQCLSA-N 0 3 314.379 5.079 20 30 DKEDHN CCN(Cc1ccc(C(F)F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000461393987 333104738 /nfs/dbraw/zinc/10/47/38/333104738.db2.gz DFLYLDKBLHPMQO-CQSZACIVSA-N 0 3 314.379 5.079 20 30 DKEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)c2ccccc21 ZINC000462451587 339079106 /nfs/dbraw/zinc/07/91/06/339079106.db2.gz MRUKICDTLJYWIN-AWEZNQCLSA-N 0 3 320.823 5.216 20 30 DKEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)c2ccccc21 ZINC000462451588 339079180 /nfs/dbraw/zinc/07/91/80/339079180.db2.gz MRUKICDTLJYWIN-CQSZACIVSA-N 0 3 320.823 5.216 20 30 DKEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)c2ccccc21 ZINC000462465508 339079425 /nfs/dbraw/zinc/07/94/25/339079425.db2.gz FBKCUFAWOUYAFK-AWEZNQCLSA-N 0 3 320.823 5.216 20 30 DKEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)c2ccccc21 ZINC000462465511 332929966 /nfs/dbraw/zinc/92/99/66/332929966.db2.gz FBKCUFAWOUYAFK-CQSZACIVSA-N 0 3 320.823 5.216 20 30 DKEDHN CC(C)C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462726500 339084964 /nfs/dbraw/zinc/08/49/64/339084964.db2.gz IYXKZBCCUZGIRT-IBGZPJMESA-N 0 3 312.844 5.089 20 30 DKEDHN CC(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462726501 339084996 /nfs/dbraw/zinc/08/49/96/339084996.db2.gz IYXKZBCCUZGIRT-LJQANCHMSA-N 0 3 312.844 5.089 20 30 DKEDHN CC(C)C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462728410 333097252 /nfs/dbraw/zinc/09/72/52/333097252.db2.gz UEOHVMXLLKPRFK-IBGZPJMESA-N 0 3 312.844 5.089 20 30 DKEDHN CC(C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462728411 333097266 /nfs/dbraw/zinc/09/72/66/333097266.db2.gz UEOHVMXLLKPRFK-LJQANCHMSA-N 0 3 312.844 5.089 20 30 DKEDHN CC[C@@H](C)[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462751733 339086916 /nfs/dbraw/zinc/08/69/16/339086916.db2.gz BFGMYHONWHYJHS-AUUYWEPGSA-N 0 3 312.844 5.089 20 30 DKEDHN CC[C@H](C)[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462751734 339086855 /nfs/dbraw/zinc/08/68/55/339086855.db2.gz BFGMYHONWHYJHS-IFXJQAMLSA-N 0 3 312.844 5.089 20 30 DKEDHN CC[C@@H](C)[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462751735 339086952 /nfs/dbraw/zinc/08/69/52/339086952.db2.gz BFGMYHONWHYJHS-KUHUBIRLSA-N 0 3 312.844 5.089 20 30 DKEDHN CC[C@H](C)[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000462751736 339086826 /nfs/dbraw/zinc/08/68/26/339086826.db2.gz BFGMYHONWHYJHS-LIRRHRJNSA-N 0 3 312.844 5.089 20 30 DKEDHN CC[C@@H](C)[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462759490 333110039 /nfs/dbraw/zinc/11/00/39/333110039.db2.gz CRJGTIFLWLEIRJ-AUUYWEPGSA-N 0 3 312.844 5.089 20 30 DKEDHN CC[C@H](C)[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462759492 333109980 /nfs/dbraw/zinc/10/99/80/333109980.db2.gz CRJGTIFLWLEIRJ-IFXJQAMLSA-N 0 3 312.844 5.089 20 30 DKEDHN CC[C@@H](C)[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462759495 333109971 /nfs/dbraw/zinc/10/99/71/333109971.db2.gz CRJGTIFLWLEIRJ-KUHUBIRLSA-N 0 3 312.844 5.089 20 30 DKEDHN CC[C@H](C)[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000462759498 333110048 /nfs/dbraw/zinc/11/00/48/333110048.db2.gz CRJGTIFLWLEIRJ-LIRRHRJNSA-N 0 3 312.844 5.089 20 30 DKEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463290668 339113649 /nfs/dbraw/zinc/11/36/49/339113649.db2.gz TWULLXWMBLHUPS-CDHQVMDDSA-N 0 3 324.855 5.101 20 30 DKEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463290671 339113663 /nfs/dbraw/zinc/11/36/63/339113663.db2.gz TWULLXWMBLHUPS-UIAACRFSSA-N 0 3 324.855 5.101 20 30 DKEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463290673 339113701 /nfs/dbraw/zinc/11/37/01/339113701.db2.gz TWULLXWMBLHUPS-XPGWFJOJSA-N 0 3 324.855 5.101 20 30 DKEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463290675 339113627 /nfs/dbraw/zinc/11/36/27/339113627.db2.gz TWULLXWMBLHUPS-YSGRDPCXSA-N 0 3 324.855 5.101 20 30 DKEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000463301019 339114095 /nfs/dbraw/zinc/11/40/95/339114095.db2.gz LWKJADCMELRKNM-CDHQVMDDSA-N 0 3 324.855 5.101 20 30 DKEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000463301020 339114109 /nfs/dbraw/zinc/11/41/09/339114109.db2.gz LWKJADCMELRKNM-UIAACRFSSA-N 0 3 324.855 5.101 20 30 DKEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000463301021 339114167 /nfs/dbraw/zinc/11/41/67/339114167.db2.gz LWKJADCMELRKNM-XPGWFJOJSA-N 0 3 324.855 5.101 20 30 DKEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000463301022 339114145 /nfs/dbraw/zinc/11/41/45/339114145.db2.gz LWKJADCMELRKNM-YSGRDPCXSA-N 0 3 324.855 5.101 20 30 DKEDHN C[C@@H](N[C@H](CC(C)(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000463904478 339128524 /nfs/dbraw/zinc/12/85/24/339128524.db2.gz HYRSLOPLSJCJKB-FOIQADDNSA-N 0 3 324.443 5.525 20 30 DKEDHN C[C@H](N[C@H](CC(C)(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000463904483 339128509 /nfs/dbraw/zinc/12/85/09/339128509.db2.gz HYRSLOPLSJCJKB-MGPUTAFESA-N 0 3 324.443 5.525 20 30 DKEDHN C[C@@H](N[C@@H](CC(C)(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000463904485 339128486 /nfs/dbraw/zinc/12/84/86/339128486.db2.gz HYRSLOPLSJCJKB-QRWLVFNGSA-N 0 3 324.443 5.525 20 30 DKEDHN C[C@H](N[C@@H](CC(C)(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000463904486 339128497 /nfs/dbraw/zinc/12/84/97/339128497.db2.gz HYRSLOPLSJCJKB-YWZLYKJASA-N 0 3 324.443 5.525 20 30 DKEDHN CC[C@@H](N[C@@H](C)c1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000467417924 339237492 /nfs/dbraw/zinc/23/74/92/339237492.db2.gz MHWYJCHXFQJUDI-IFXJQAMLSA-N 0 3 310.466 5.082 20 30 DKEDHN CC[C@H](N[C@@H](C)c1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000467417925 339237519 /nfs/dbraw/zinc/23/75/19/339237519.db2.gz MHWYJCHXFQJUDI-LIRRHRJNSA-N 0 3 310.466 5.082 20 30 DKEDHN CC[C@@H](N[C@H](C)c1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000467432714 339238196 /nfs/dbraw/zinc/23/81/96/339238196.db2.gz MHWYJCHXFQJUDI-AUUYWEPGSA-N 0 3 310.466 5.082 20 30 DKEDHN CC[C@H](N[C@H](C)c1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000467432715 339238163 /nfs/dbraw/zinc/23/81/63/339238163.db2.gz MHWYJCHXFQJUDI-KUHUBIRLSA-N 0 3 310.466 5.082 20 30 DKEDHN CCN(Cc1cccc(C(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000470718091 339325921 /nfs/dbraw/zinc/32/59/21/339325921.db2.gz OIFWNRZVPBAADA-AWEZNQCLSA-N 0 3 314.379 5.079 20 30 DKEDHN CCN(Cc1cccc(C(F)F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000470718092 339325855 /nfs/dbraw/zinc/32/58/55/339325855.db2.gz OIFWNRZVPBAADA-CQSZACIVSA-N 0 3 314.379 5.079 20 30 DKEDHN C=CCC[C@@H](NCc1cccc(C(F)F)c1)c1ccccc1 ZINC000470775876 339327692 /nfs/dbraw/zinc/32/76/92/339327692.db2.gz ASWCUWQWTCGVHE-GOSISDBHSA-N 0 3 301.380 5.421 20 30 DKEDHN C=CCC[C@H](NCc1cccc(C(F)F)c1)c1ccccc1 ZINC000470775877 339327548 /nfs/dbraw/zinc/32/75/48/339327548.db2.gz ASWCUWQWTCGVHE-SFHVURJKSA-N 0 3 301.380 5.421 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1sccc1OC)c1ccccc1 ZINC000471578774 339347976 /nfs/dbraw/zinc/34/79/76/339347976.db2.gz RUBHDBOKZZMIFH-GDBMZVCRSA-N 0 3 301.455 5.115 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1sccc1OC)c1ccccc1 ZINC000471578775 339348001 /nfs/dbraw/zinc/34/80/01/339348001.db2.gz RUBHDBOKZZMIFH-GOEBONIOSA-N 0 3 301.455 5.115 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1sccc1OC)c1ccccc1 ZINC000471578776 339347963 /nfs/dbraw/zinc/34/79/63/339347963.db2.gz RUBHDBOKZZMIFH-HOCLYGCPSA-N 0 3 301.455 5.115 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1sccc1OC)c1ccccc1 ZINC000471578777 339347894 /nfs/dbraw/zinc/34/78/94/339347894.db2.gz RUBHDBOKZZMIFH-ZBFHGGJFSA-N 0 3 301.455 5.115 20 30 DKEDHN CC(C)(C#N)CCCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000472227082 339366487 /nfs/dbraw/zinc/36/64/87/339366487.db2.gz UXSUWSWGOHDWBY-NRFANRHFSA-N 0 3 318.464 5.116 20 30 DKEDHN CC(C)(C#N)CCCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000472227107 339366505 /nfs/dbraw/zinc/36/65/05/339366505.db2.gz UXSUWSWGOHDWBY-OAQYLSRUSA-N 0 3 318.464 5.116 20 30 DKEDHN CC(C)(C#N)CCCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000472238023 339367115 /nfs/dbraw/zinc/36/71/15/339367115.db2.gz FKOAPMOSRIDBRE-UHFFFAOYSA-N 0 3 320.427 5.039 20 30 DKEDHN CC(C)(C#N)CCCN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000472427824 339371708 /nfs/dbraw/zinc/37/17/08/339371708.db2.gz DDYSSJLOYDEDCH-UHFFFAOYSA-N 0 3 320.427 5.039 20 30 DKEDHN C[C@@H](c1ccccc1Cl)N(CCCC(C)(C)C#N)C1CC1 ZINC000472444943 339371965 /nfs/dbraw/zinc/37/19/65/339371965.db2.gz UEJVJDCUFZOVQY-AWEZNQCLSA-N 0 3 304.865 5.195 20 30 DKEDHN C[C@H](c1ccccc1Cl)N(CCCC(C)(C)C#N)C1CC1 ZINC000472444944 339371634 /nfs/dbraw/zinc/37/16/34/339371634.db2.gz UEJVJDCUFZOVQY-CQSZACIVSA-N 0 3 304.865 5.195 20 30 DKEDHN C[C@H](c1ccc(Cl)cc1Cl)N(C)CCCC(C)(C)C#N ZINC000472446240 339372081 /nfs/dbraw/zinc/37/20/81/339372081.db2.gz JAVLMPGUOWMPFY-GFCCVEGCSA-N 0 3 313.272 5.316 20 30 DKEDHN C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCCC(C)(C)C#N ZINC000472446241 339372035 /nfs/dbraw/zinc/37/20/35/339372035.db2.gz JAVLMPGUOWMPFY-LBPRGKRZSA-N 0 3 313.272 5.316 20 30 DKEDHN N#CCCCCN1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000476989153 339484012 /nfs/dbraw/zinc/48/40/12/339484012.db2.gz ITSXQOZCXSJUSE-UHFFFAOYSA-N 0 3 323.267 5.166 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 ZINC000480214654 339563777 /nfs/dbraw/zinc/56/37/77/339563777.db2.gz PFDWJJNMRQXUKH-KSSFIOAISA-N 0 3 300.833 5.093 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1ccc(Cl)cn1)c1ccccc1 ZINC000480214656 339563780 /nfs/dbraw/zinc/56/37/80/339563780.db2.gz PFDWJJNMRQXUKH-RDTXWAMCSA-N 0 3 300.833 5.093 20 30 DKEDHN C=C(C)[C@@H](N[C@H](C)CCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480669014 339582344 /nfs/dbraw/zinc/58/23/44/339582344.db2.gz NXADLOAJXOAQQM-IAQYHMDHSA-N 0 3 321.333 5.293 20 30 DKEDHN C=C(C)[C@H](N[C@@H](C)CCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480669016 339582336 /nfs/dbraw/zinc/58/23/36/339582336.db2.gz NXADLOAJXOAQQM-NHYWBVRUSA-N 0 3 321.333 5.293 20 30 DKEDHN C=C(C)[C@@H](N[C@@H](C)CCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480669018 339582404 /nfs/dbraw/zinc/58/24/04/339582404.db2.gz NXADLOAJXOAQQM-XHDPSFHLSA-N 0 3 321.333 5.293 20 30 DKEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](c1ccccc1)C1CC1 ZINC000481664647 339609096 /nfs/dbraw/zinc/60/90/96/339609096.db2.gz HGMWYHNXXXSQNX-FCHUYYIVSA-N 0 3 316.448 5.067 20 30 DKEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](c1ccccc1)C1CC1 ZINC000481664651 339609134 /nfs/dbraw/zinc/60/91/34/339609134.db2.gz HGMWYHNXXXSQNX-YADHBBJMSA-N 0 3 316.448 5.067 20 30 DKEDHN CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cccs1 ZINC000481667664 339609240 /nfs/dbraw/zinc/60/92/40/339609240.db2.gz HCQFXYGITFCIGC-MSOLQXFVSA-N 0 3 310.466 5.128 20 30 DKEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](c1cccs1)C1CC1 ZINC000481911111 339616423 /nfs/dbraw/zinc/61/64/23/339616423.db2.gz DCRIQPXPFYRVAG-AZUAARDMSA-N 0 3 322.477 5.128 20 30 DKEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](c1cccs1)C1CC1 ZINC000481911113 339616386 /nfs/dbraw/zinc/61/63/86/339616386.db2.gz DCRIQPXPFYRVAG-ICSRJNTNSA-N 0 3 322.477 5.128 20 30 DKEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](c1cccs1)C1CC1 ZINC000481911116 339616436 /nfs/dbraw/zinc/61/64/36/339616436.db2.gz DCRIQPXPFYRVAG-UYAOXDASSA-N 0 3 322.477 5.128 20 30 DKEDHN CCC(CC)[C@@H](NCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000484064935 339680451 /nfs/dbraw/zinc/68/04/51/339680451.db2.gz KKCRMPVDCJNOSN-GOSISDBHSA-N 0 3 316.445 5.026 20 30 DKEDHN C=CCC[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000486715425 339732267 /nfs/dbraw/zinc/73/22/67/339732267.db2.gz WLNDEFGADBCNEX-LJQANCHMSA-N 0 3 308.400 5.104 20 30 DKEDHN CC(C)(C)[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000487381106 339752533 /nfs/dbraw/zinc/75/25/33/339752533.db2.gz SMXALOJKQYUPAJ-FQEVSTJZSA-N 0 3 320.480 5.365 20 30 DKEDHN Cc1cc(CN[C@@H](C)c2ccc(SC(C)C)cc2)ccc1C#N ZINC000488152221 339771978 /nfs/dbraw/zinc/77/19/78/339771978.db2.gz QDNOOEXMVZQPJB-INIZCTEOSA-N 0 3 324.493 5.218 20 30 DKEDHN Cc1cc(CN[C@H](C)c2ccc(SC(C)C)cc2)ccc1C#N ZINC000488152224 339772042 /nfs/dbraw/zinc/77/20/42/339772042.db2.gz QDNOOEXMVZQPJB-MRXNPFEDSA-N 0 3 324.493 5.218 20 30 DKEDHN C[C@H](N[C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000495402822 339983075 /nfs/dbraw/zinc/98/30/75/339983075.db2.gz SKICEOHCXUGRGZ-HRAATJIYSA-N 0 3 304.437 5.140 20 30 DKEDHN C[C@@H](N[C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000495402824 518178362 /nfs/dbraw/zinc/17/83/62/518178362.db2.gz SKICEOHCXUGRGZ-IIBYNOLFSA-N 0 3 304.437 5.140 20 30 DKEDHN C[C@@H](N[C@@H](CC1CCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000495413725 339983569 /nfs/dbraw/zinc/98/35/69/339983569.db2.gz FTNMLVTXKYBAKR-VFNWGFHPSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@H](N[C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000495413889 339983566 /nfs/dbraw/zinc/98/35/66/339983566.db2.gz FTNMLVTXKYBAKR-YCRPNKLZSA-N 0 3 322.427 5.279 20 30 DKEDHN CC(C)(C)[C@@H](NCc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000497807593 333294515 /nfs/dbraw/zinc/29/45/15/333294515.db2.gz CWKCRLVURFIVNZ-FQEVSTJZSA-N 0 3 318.420 5.181 20 30 DKEDHN CC(C)(C)[C@H](NCc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000497807594 333294396 /nfs/dbraw/zinc/29/43/96/333294396.db2.gz CWKCRLVURFIVNZ-HXUWFJFHSA-N 0 3 318.420 5.181 20 30 DKEDHN C=CCC[C@H](NCc1cnc2ccccc2c1)c1ccccc1 ZINC000499609984 340040952 /nfs/dbraw/zinc/04/09/52/340040952.db2.gz JAGQAVAZUUGZCF-FQEVSTJZSA-N 0 3 302.421 5.032 20 30 DKEDHN C=CCC[C@@H](NCc1cnc2ccccc2c1)c1ccccc1 ZINC000499609985 340040852 /nfs/dbraw/zinc/04/08/52/340040852.db2.gz JAGQAVAZUUGZCF-HXUWFJFHSA-N 0 3 302.421 5.032 20 30 DKEDHN CSc1ccc([C@H](C)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000500225178 340053487 /nfs/dbraw/zinc/05/34/87/340053487.db2.gz HPLNZXYEYDPYOY-HNNXBMFYSA-N 0 3 324.493 5.060 20 30 DKEDHN CSc1ccccc1[C@@H](C)NCc1ccccc1C(C)(C)C#N ZINC000501561510 340083753 /nfs/dbraw/zinc/08/37/53/340083753.db2.gz NMDNCKZGJPNYTB-OAHLLOKOSA-N 0 3 324.493 5.060 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502405172 340102092 /nfs/dbraw/zinc/10/20/92/340102092.db2.gz LGHFHADYEOYIOP-DYESRHJHSA-N 0 3 323.484 5.356 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502405177 340102042 /nfs/dbraw/zinc/10/20/42/340102042.db2.gz LGHFHADYEOYIOP-LAUBAEHRSA-N 0 3 323.484 5.356 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502405178 340102000 /nfs/dbraw/zinc/10/20/00/340102000.db2.gz LGHFHADYEOYIOP-UTKZUKDTSA-N 0 3 323.484 5.356 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502405179 340101979 /nfs/dbraw/zinc/10/19/79/340101979.db2.gz LGHFHADYEOYIOP-UWJYYQICSA-N 0 3 323.484 5.356 20 30 DKEDHN CC(C)[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)cc1 ZINC000502499741 340106035 /nfs/dbraw/zinc/10/60/35/340106035.db2.gz HNCBQODIXSXNEC-FQEVSTJZSA-N 0 3 324.443 5.114 20 30 DKEDHN CC(C)[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)cc1 ZINC000502499742 340106023 /nfs/dbraw/zinc/10/60/23/340106023.db2.gz HNCBQODIXSXNEC-HXUWFJFHSA-N 0 3 324.443 5.114 20 30 DKEDHN CC[C@H](N[C@H](C)c1ccccc1SC)c1ccc(C#N)cc1 ZINC000503878691 340135687 /nfs/dbraw/zinc/13/56/87/340135687.db2.gz YYURRVZFFPWYJZ-KDOFPFPSSA-N 0 3 310.466 5.082 20 30 DKEDHN CC[C@@H](N[C@H](C)c1ccccc1SC)c1ccc(C#N)cc1 ZINC000503878693 340135625 /nfs/dbraw/zinc/13/56/25/340135625.db2.gz YYURRVZFFPWYJZ-RDTXWAMCSA-N 0 3 310.466 5.082 20 30 DKEDHN CC[C@H](N[C@H](c1ccc(F)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000503885148 340135824 /nfs/dbraw/zinc/13/58/24/340135824.db2.gz KELAXDDBXHIRMA-PMACEKPBSA-N 0 3 310.416 5.135 20 30 DKEDHN CC[C@@H](N[C@H](c1ccc(F)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000503885149 340135786 /nfs/dbraw/zinc/13/57/86/340135786.db2.gz KELAXDDBXHIRMA-UXHICEINSA-N 0 3 310.416 5.135 20 30 DKEDHN CC[C@H](N[C@@H](c1ccc(F)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000503885150 340135741 /nfs/dbraw/zinc/13/57/41/340135741.db2.gz KELAXDDBXHIRMA-VQTJNVASSA-N 0 3 310.416 5.135 20 30 DKEDHN CC[C@@H](N[C@@H](c1ccc(F)cc1)C(C)C)c1ccc(C#N)cc1 ZINC000503885151 340135790 /nfs/dbraw/zinc/13/57/90/340135790.db2.gz KELAXDDBXHIRMA-WOJBJXKFSA-N 0 3 310.416 5.135 20 30 DKEDHN CC(C)(C#N)CCCN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511068143 340319988 /nfs/dbraw/zinc/31/99/88/340319988.db2.gz YWQAXXBLFMFNTJ-UHFFFAOYSA-N 0 3 322.855 5.021 20 30 DKEDHN C=CCOc1ccc(CN[C@@H](CC)c2ccc(Cl)s2)cc1 ZINC000512219756 340352866 /nfs/dbraw/zinc/35/28/66/340352866.db2.gz RUAWPWMJCGXSNP-HNNXBMFYSA-N 0 3 321.873 5.207 20 30 DKEDHN C=CCOc1ccc(CN[C@H](CC)c2ccc(Cl)s2)cc1 ZINC000512219757 340352895 /nfs/dbraw/zinc/35/28/95/340352895.db2.gz RUAWPWMJCGXSNP-OAHLLOKOSA-N 0 3 321.873 5.207 20 30 DKEDHN C=CCOc1cccc(CN[C@@H](CC)c2ccc(Cl)s2)c1 ZINC000512220637 340352870 /nfs/dbraw/zinc/35/28/70/340352870.db2.gz XCKGNUSCOTYGDU-HNNXBMFYSA-N 0 3 321.873 5.207 20 30 DKEDHN C=CCOc1cccc(CN[C@H](CC)c2ccc(Cl)s2)c1 ZINC000512220638 340352888 /nfs/dbraw/zinc/35/28/88/340352888.db2.gz XCKGNUSCOTYGDU-OAHLLOKOSA-N 0 3 321.873 5.207 20 30 DKEDHN C[C@H](N[C@@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512280239 340355244 /nfs/dbraw/zinc/35/52/44/340355244.db2.gz OGGNMBTUNHANCK-BTYIYWSLSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@@H](N[C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512280240 340355281 /nfs/dbraw/zinc/35/52/81/340355281.db2.gz OGGNMBTUNHANCK-QVKFZJNVSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@@H](N[C@@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512280241 340355266 /nfs/dbraw/zinc/35/52/66/340355266.db2.gz OGGNMBTUNHANCK-VFNWGFHPSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@H](N[C@H](CC1CCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512280242 340355221 /nfs/dbraw/zinc/35/52/21/340355221.db2.gz OGGNMBTUNHANCK-YCRPNKLZSA-N 0 3 322.427 5.279 20 30 DKEDHN CC(C)C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512625756 340369706 /nfs/dbraw/zinc/36/97/06/340369706.db2.gz QHGOMBIYZHDBSD-FOIQADDNSA-N 0 3 310.416 5.135 20 30 DKEDHN CC(C)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512625757 340369701 /nfs/dbraw/zinc/36/97/01/340369701.db2.gz QHGOMBIYZHDBSD-MGPUTAFESA-N 0 3 310.416 5.135 20 30 DKEDHN CC(C)C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512625759 340369774 /nfs/dbraw/zinc/36/97/74/340369774.db2.gz QHGOMBIYZHDBSD-QRWLVFNGSA-N 0 3 310.416 5.135 20 30 DKEDHN CC(C)C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512625760 340369671 /nfs/dbraw/zinc/36/96/71/340369671.db2.gz QHGOMBIYZHDBSD-YWZLYKJASA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1F ZINC000512630008 340370004 /nfs/dbraw/zinc/37/00/04/340370004.db2.gz LENDNXRROQSOBD-BTYIYWSLSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@@H](N[C@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1F ZINC000512630012 340369938 /nfs/dbraw/zinc/36/99/38/340369938.db2.gz LENDNXRROQSOBD-QVKFZJNVSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1F ZINC000512630014 340369960 /nfs/dbraw/zinc/36/99/60/340369960.db2.gz LENDNXRROQSOBD-VFNWGFHPSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@H](N[C@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1F ZINC000512630016 340370000 /nfs/dbraw/zinc/37/00/00/340370000.db2.gz LENDNXRROQSOBD-YCRPNKLZSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccc2ccccc21 ZINC000512640899 340370515 /nfs/dbraw/zinc/37/05/15/340370515.db2.gz BGZMSMSMOMDROX-CABCVRRESA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1F ZINC000512640900 340370509 /nfs/dbraw/zinc/37/05/09/340370509.db2.gz BGZMSMSMOMDROX-GJZGRUSLSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1F ZINC000512640901 340370406 /nfs/dbraw/zinc/37/04/06/340370406.db2.gz BGZMSMSMOMDROX-HUUCEWRRSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1F ZINC000512640902 340370474 /nfs/dbraw/zinc/37/04/74/340370474.db2.gz BGZMSMSMOMDROX-LSDHHAIUSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512655052 340371302 /nfs/dbraw/zinc/37/13/02/340371302.db2.gz REYSRZBGIPKWHX-AUUYWEPGSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512655053 340371312 /nfs/dbraw/zinc/37/13/12/340371312.db2.gz REYSRZBGIPKWHX-IFXJQAMLSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512655054 340371341 /nfs/dbraw/zinc/37/13/41/340371341.db2.gz REYSRZBGIPKWHX-KUHUBIRLSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512655055 340371290 /nfs/dbraw/zinc/37/12/90/340371290.db2.gz REYSRZBGIPKWHX-LIRRHRJNSA-N 0 3 310.416 5.135 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512659674 340371537 /nfs/dbraw/zinc/37/15/37/340371537.db2.gz JECHBTBVCMLGMV-FOIQADDNSA-N 0 3 308.400 5.055 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512659675 340371540 /nfs/dbraw/zinc/37/15/40/340371540.db2.gz JECHBTBVCMLGMV-MGPUTAFESA-N 0 3 308.400 5.055 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512659676 340371607 /nfs/dbraw/zinc/37/16/07/340371607.db2.gz JECHBTBVCMLGMV-QRWLVFNGSA-N 0 3 308.400 5.055 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512659677 340371569 /nfs/dbraw/zinc/37/15/69/340371569.db2.gz JECHBTBVCMLGMV-YWZLYKJASA-N 0 3 308.400 5.055 20 30 DKEDHN Cc1ccccc1[C@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512659995 340371542 /nfs/dbraw/zinc/37/15/42/340371542.db2.gz KYBUEMIVEZVJFT-FOIQADDNSA-N 0 3 310.416 5.054 20 30 DKEDHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512659998 340371648 /nfs/dbraw/zinc/37/16/48/340371648.db2.gz KYBUEMIVEZVJFT-YWZLYKJASA-N 0 3 310.416 5.054 20 30 DKEDHN CC(C)C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccs1 ZINC000512668090 340372106 /nfs/dbraw/zinc/37/21/06/340372106.db2.gz SQRGQFGDNLNIFR-CXAGYDPISA-N 0 3 316.445 5.197 20 30 DKEDHN CC(C)C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccs1 ZINC000512668091 340372156 /nfs/dbraw/zinc/37/21/56/340372156.db2.gz SQRGQFGDNLNIFR-DYVFJYSZSA-N 0 3 316.445 5.197 20 30 DKEDHN CC(C)C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccs1 ZINC000512668092 340372148 /nfs/dbraw/zinc/37/21/48/340372148.db2.gz SQRGQFGDNLNIFR-GUYCJALGSA-N 0 3 316.445 5.197 20 30 DKEDHN CC(C)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccs1 ZINC000512668093 340372226 /nfs/dbraw/zinc/37/22/26/340372226.db2.gz SQRGQFGDNLNIFR-SUMWQHHRSA-N 0 3 316.445 5.197 20 30 DKEDHN CC(C)c1ccc([C@@H](NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000512833375 340379785 /nfs/dbraw/zinc/37/97/85/340379785.db2.gz KXNGZNYSXNCYKA-NRFANRHFSA-N 0 3 306.453 5.169 20 30 DKEDHN CC(C)c1ccc([C@H](NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000512833377 340379826 /nfs/dbraw/zinc/37/98/26/340379826.db2.gz KXNGZNYSXNCYKA-OAQYLSRUSA-N 0 3 306.453 5.169 20 30 DKEDHN C=CCOc1ccc(CN[C@@H](C)c2oc3ccccc3c2C)cc1 ZINC000513098205 340393253 /nfs/dbraw/zinc/39/32/53/340393253.db2.gz CMHGVMUXNPZUHI-INIZCTEOSA-N 0 3 321.420 5.157 20 30 DKEDHN C=CCOc1ccc(CN[C@H](C)c2oc3ccccc3c2C)cc1 ZINC000513098206 340393287 /nfs/dbraw/zinc/39/32/87/340393287.db2.gz CMHGVMUXNPZUHI-MRXNPFEDSA-N 0 3 321.420 5.157 20 30 DKEDHN C=CCOc1cccc(CN[C@@H](C)c2oc3ccccc3c2C)c1 ZINC000513104966 340393583 /nfs/dbraw/zinc/39/35/83/340393583.db2.gz PJTBYZYIAZDMIV-INIZCTEOSA-N 0 3 321.420 5.157 20 30 DKEDHN C=CCOc1cccc(CN[C@H](C)c2oc3ccccc3c2C)c1 ZINC000513104967 340393465 /nfs/dbraw/zinc/39/34/65/340393465.db2.gz PJTBYZYIAZDMIV-MRXNPFEDSA-N 0 3 321.420 5.157 20 30 DKEDHN C=CCC[C@H](NCc1ccc2cc(OC)ccc2c1)c1ccco1 ZINC000514086947 333259254 /nfs/dbraw/zinc/25/92/54/333259254.db2.gz DQSWKPPYYIFOJO-FQEVSTJZSA-N 0 3 321.420 5.239 20 30 DKEDHN C=CCC[C@@H](NCc1ccc2cc(OC)ccc2c1)c1ccco1 ZINC000514086948 333259329 /nfs/dbraw/zinc/25/93/29/333259329.db2.gz DQSWKPPYYIFOJO-HXUWFJFHSA-N 0 3 321.420 5.239 20 30 DKEDHN Cc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1C ZINC000516199288 338007205 /nfs/dbraw/zinc/00/72/05/338007205.db2.gz XLYYEUSPRWJUDT-GHTZIAJQSA-N 0 3 306.453 5.389 20 30 DKEDHN Cc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1C ZINC000516199289 338007210 /nfs/dbraw/zinc/00/72/10/338007210.db2.gz XLYYEUSPRWJUDT-NQIIRXRSSA-N 0 3 306.453 5.389 20 30 DKEDHN Cc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1C ZINC000516199290 338007290 /nfs/dbraw/zinc/00/72/90/338007290.db2.gz XLYYEUSPRWJUDT-RXVVDRJESA-N 0 3 306.453 5.389 20 30 DKEDHN Cc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1C ZINC000516199291 338007244 /nfs/dbraw/zinc/00/72/44/338007244.db2.gz XLYYEUSPRWJUDT-WIYYLYMNSA-N 0 3 306.453 5.389 20 30 DKEDHN CSc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000516987448 340460791 /nfs/dbraw/zinc/46/07/91/340460791.db2.gz RRJGVQFIPFBNSC-JLTOFOAXSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000516987450 340460787 /nfs/dbraw/zinc/46/07/87/340460787.db2.gz RRJGVQFIPFBNSC-VBKZILBWSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000516987451 340460764 /nfs/dbraw/zinc/46/07/64/340460764.db2.gz RRJGVQFIPFBNSC-VLIAUNLRSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000516987452 340460777 /nfs/dbraw/zinc/46/07/77/340460777.db2.gz RRJGVQFIPFBNSC-XOBRGWDASA-N 0 3 322.477 5.008 20 30 DKEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000517228296 340466051 /nfs/dbraw/zinc/46/60/51/340466051.db2.gz KBUQBDCNBOCCKZ-VXKWHMMOSA-N 0 3 316.448 5.067 20 30 DKEDHN N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000518784524 333219764 /nfs/dbraw/zinc/21/97/64/333219764.db2.gz IEFLQRIQOMUEMT-UHFFFAOYSA-N 0 3 324.855 5.161 20 30 DKEDHN CSc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000519829952 335898672 /nfs/dbraw/zinc/89/86/72/335898672.db2.gz VRPUIJZJWWUNGL-JLTOFOAXSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000519829958 335898682 /nfs/dbraw/zinc/89/86/82/335898682.db2.gz VRPUIJZJWWUNGL-VBKZILBWSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000519829959 335898639 /nfs/dbraw/zinc/89/86/39/335898639.db2.gz VRPUIJZJWWUNGL-VLIAUNLRSA-N 0 3 322.477 5.008 20 30 DKEDHN CSc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000519829960 335898726 /nfs/dbraw/zinc/89/87/26/335898726.db2.gz VRPUIJZJWWUNGL-XOBRGWDASA-N 0 3 322.477 5.008 20 30 DKEDHN N#Cc1cccc(CNC2(c3ccc(Cl)cc3)CCCCC2)c1 ZINC000520219803 335942616 /nfs/dbraw/zinc/94/26/16/335942616.db2.gz LMJIOIDNUZRGKC-UHFFFAOYSA-N 0 3 324.855 5.161 20 30 DKEDHN CCSc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000520294067 335959217 /nfs/dbraw/zinc/95/92/17/335959217.db2.gz QFHJZWFCDIWMST-VBKZILBWSA-N 0 3 322.477 5.008 20 30 DKEDHN CCSc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000520294068 335959288 /nfs/dbraw/zinc/95/92/88/335959288.db2.gz QFHJZWFCDIWMST-VLIAUNLRSA-N 0 3 322.477 5.008 20 30 DKEDHN CCSc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000520294069 335959305 /nfs/dbraw/zinc/95/93/05/335959305.db2.gz QFHJZWFCDIWMST-XOBRGWDASA-N 0 3 322.477 5.008 20 30 DKEDHN CC1(C)C[C@@H](N[C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000520850943 340476353 /nfs/dbraw/zinc/47/63/53/340476353.db2.gz MZILGMGQJGDVJK-NHCUHLMSSA-N 0 3 318.464 5.434 20 30 DKEDHN CC1(C)C[C@H](N[C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000520850944 340476291 /nfs/dbraw/zinc/47/62/91/340476291.db2.gz MZILGMGQJGDVJK-RTWAWAEBSA-N 0 3 318.464 5.434 20 30 DKEDHN N#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000520959473 340477992 /nfs/dbraw/zinc/47/79/92/340477992.db2.gz MRNCLPLUINUAMK-FQEVSTJZSA-N 0 3 324.855 5.233 20 30 DKEDHN C=CCOc1cccc(CN[C@@H](C)c2cccc3ccccc32)c1 ZINC000521823122 340534455 /nfs/dbraw/zinc/53/44/55/340534455.db2.gz INHOUNFLNQUKNY-KRWDZBQOSA-N 0 3 317.432 5.255 20 30 DKEDHN C=CCOc1cccc(CN[C@H](C)c2cccc3ccccc32)c1 ZINC000521823123 340534262 /nfs/dbraw/zinc/53/42/62/340534262.db2.gz INHOUNFLNQUKNY-QGZVFWFLSA-N 0 3 317.432 5.255 20 30 DKEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cc2ccccc2s1 ZINC000525955992 337460911 /nfs/dbraw/zinc/46/09/11/337460911.db2.gz LGKLNVCLRMOOII-CHWSQXEVSA-N 0 3 324.424 5.324 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)c(F)c1 ZINC000525955993 337460852 /nfs/dbraw/zinc/46/08/52/337460852.db2.gz LGKLNVCLRMOOII-OLZOCXBDSA-N 0 3 324.424 5.324 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cc2ccccc2s1 ZINC000525955994 337460885 /nfs/dbraw/zinc/46/08/85/337460885.db2.gz LGKLNVCLRMOOII-QWHCGFSZSA-N 0 3 324.424 5.324 20 30 DKEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cc2ccccc2s1 ZINC000525955995 337460839 /nfs/dbraw/zinc/46/08/39/337460839.db2.gz LGKLNVCLRMOOII-STQMWFEESA-N 0 3 324.424 5.324 20 30 DKEDHN CC[C@@H](C)[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000530879312 331632006 /nfs/dbraw/zinc/63/20/06/331632006.db2.gz UXCVJHRJNDDUQQ-PXAZEXFGSA-N 0 3 318.873 5.150 20 30 DKEDHN CC[C@H](C)[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000530879313 331632014 /nfs/dbraw/zinc/63/20/14/331632014.db2.gz UXCVJHRJNDDUQQ-SJCJKPOMSA-N 0 3 318.873 5.150 20 30 DKEDHN CC[C@@H](C)[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000530879314 331632041 /nfs/dbraw/zinc/63/20/41/331632041.db2.gz UXCVJHRJNDDUQQ-SJKOYZFVSA-N 0 3 318.873 5.150 20 30 DKEDHN CCC(CC)(NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000530885568 331632713 /nfs/dbraw/zinc/63/27/13/331632713.db2.gz IVHVBVTYPVOMIF-UHFFFAOYSA-N 0 3 318.873 5.078 20 30 DKEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000531696081 333546719 /nfs/dbraw/zinc/54/67/19/333546719.db2.gz HJPUMEUUGZNTRU-FZMZJTMJSA-N 0 3 304.846 5.075 20 30 DKEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000531696082 333546609 /nfs/dbraw/zinc/54/66/09/333546609.db2.gz HJPUMEUUGZNTRU-RISCZKNCSA-N 0 3 304.846 5.075 20 30 DKEDHN CC(C)Sc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000531950921 334308892 /nfs/dbraw/zinc/30/88/92/334308892.db2.gz DSNZCFCBASUJBX-CVEARBPZSA-N 0 3 324.493 5.471 20 30 DKEDHN CC(C)Sc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000531950922 334308682 /nfs/dbraw/zinc/30/86/82/334308682.db2.gz DSNZCFCBASUJBX-HOTGVXAUSA-N 0 3 324.493 5.471 20 30 DKEDHN CC(C)Sc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000531950923 334308677 /nfs/dbraw/zinc/30/86/77/334308677.db2.gz DSNZCFCBASUJBX-HZPDHXFCSA-N 0 3 324.493 5.471 20 30 DKEDHN CC(C)Sc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000531950924 334308742 /nfs/dbraw/zinc/30/87/42/334308742.db2.gz DSNZCFCBASUJBX-JKSUJKDBSA-N 0 3 324.493 5.471 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000531951386 334309155 /nfs/dbraw/zinc/30/91/55/334309155.db2.gz MMQFRZBBRKYEPM-NEPJUHHUSA-N 0 3 319.235 5.277 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000531951387 334309149 /nfs/dbraw/zinc/30/91/49/334309149.db2.gz MMQFRZBBRKYEPM-NWDGAFQWSA-N 0 3 319.235 5.277 20 30 DKEDHN C[C@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000531951388 334308939 /nfs/dbraw/zinc/30/89/39/334308939.db2.gz MMQFRZBBRKYEPM-RYUDHWBXSA-N 0 3 319.235 5.277 20 30 DKEDHN C[C@@H](N[C@H](C)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000531951389 334309092 /nfs/dbraw/zinc/30/90/92/334309092.db2.gz MMQFRZBBRKYEPM-VXGBXAGGSA-N 0 3 319.235 5.277 20 30 DKEDHN Cc1cc2cc([C@H](C)N[C@H](C)c3ccc(C#N)cc3)oc2cc1C ZINC000532206438 335917551 /nfs/dbraw/zinc/91/75/51/335917551.db2.gz RKADQQSCPCXWDB-CVEARBPZSA-N 0 3 318.420 5.333 20 30 DKEDHN Cc1cc2cc([C@H](C)N[C@@H](C)c3ccc(C#N)cc3)oc2cc1C ZINC000532206439 335917437 /nfs/dbraw/zinc/91/74/37/335917437.db2.gz RKADQQSCPCXWDB-HOTGVXAUSA-N 0 3 318.420 5.333 20 30 DKEDHN Cc1cc2cc([C@@H](C)N[C@H](C)c3ccc(C#N)cc3)oc2cc1C ZINC000532206440 335917477 /nfs/dbraw/zinc/91/74/77/335917477.db2.gz RKADQQSCPCXWDB-HZPDHXFCSA-N 0 3 318.420 5.333 20 30 DKEDHN Cc1cc2cc([C@@H](C)N[C@@H](C)c3ccc(C#N)cc3)oc2cc1C ZINC000532206441 335917584 /nfs/dbraw/zinc/91/75/84/335917584.db2.gz RKADQQSCPCXWDB-JKSUJKDBSA-N 0 3 318.420 5.333 20 30 DKEDHN N#Cc1csc(CN[C@@H](CC2CCCC2)c2ccccc2)c1 ZINC000533104828 337817548 /nfs/dbraw/zinc/81/75/48/337817548.db2.gz OJKZFOIANKGPIS-IBGZPJMESA-N 0 3 310.466 5.031 20 30 DKEDHN N#Cc1csc(CN[C@H](CC2CCCC2)c2ccccc2)c1 ZINC000533104829 337817632 /nfs/dbraw/zinc/81/76/32/337817632.db2.gz OJKZFOIANKGPIS-LJQANCHMSA-N 0 3 310.466 5.031 20 30 DKEDHN CCC(CC)[C@@H](NCc1ccc(C#N)cc1F)c1cccs1 ZINC000533309785 337840585 /nfs/dbraw/zinc/84/05/85/337840585.db2.gz PAAHDCNRNCVLQR-GOSISDBHSA-N 0 3 316.445 5.026 20 30 DKEDHN CCC(CC)[C@H](NCc1ccc(C#N)cc1F)c1cccs1 ZINC000533309787 337840580 /nfs/dbraw/zinc/84/05/80/337840580.db2.gz PAAHDCNRNCVLQR-SFHVURJKSA-N 0 3 316.445 5.026 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccccc1 ZINC000536831040 337734339 /nfs/dbraw/zinc/73/43/39/337734339.db2.gz GGZJAAWWNDSJDG-MAUKXSAKSA-N 0 3 322.477 5.654 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccccc1 ZINC000536831052 337734376 /nfs/dbraw/zinc/73/43/76/337734376.db2.gz GGZJAAWWNDSJDG-YJBOKZPZSA-N 0 3 322.477 5.654 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000536833617 337734855 /nfs/dbraw/zinc/73/48/55/337734855.db2.gz PYOGDANMIQZJEW-DNVCBOLYSA-N 0 3 313.416 5.192 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000536833621 337734761 /nfs/dbraw/zinc/73/47/61/337734761.db2.gz PYOGDANMIQZJEW-HNAYVOBHSA-N 0 3 313.416 5.192 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000536833622 337734879 /nfs/dbraw/zinc/73/48/79/337734879.db2.gz PYOGDANMIQZJEW-KXBFYZLASA-N 0 3 313.416 5.192 20 30 DKEDHN C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccccc1 ZINC000537016005 337866176 /nfs/dbraw/zinc/86/61/76/337866176.db2.gz STAFQFYHBYJNQV-KRWDZBQOSA-N 0 3 312.416 5.076 20 30 DKEDHN C=CCC[C@@H](NCc1cc(C)nc2ccccc12)c1ccccc1 ZINC000537154357 337902907 /nfs/dbraw/zinc/90/29/07/337902907.db2.gz IIAVWPXBJHLMJX-OAQYLSRUSA-N 0 3 316.448 5.340 20 30 DKEDHN C[C@H](N[C@H](c1ccc(F)cc1)C1CCCC1)c1cccc(C#N)c1 ZINC000537296542 337929171 /nfs/dbraw/zinc/92/91/71/337929171.db2.gz CUYWQDRCQQHZPV-BTYIYWSLSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCCC1)c1cccc(C#N)c1 ZINC000537296544 337929162 /nfs/dbraw/zinc/92/91/62/337929162.db2.gz CUYWQDRCQQHZPV-QVKFZJNVSA-N 0 3 322.427 5.279 20 30 DKEDHN C[C@@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000537296918 337929212 /nfs/dbraw/zinc/92/92/12/337929212.db2.gz YAIBBZFGQLEHRC-AUUYWEPGSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000537296919 337929195 /nfs/dbraw/zinc/92/91/95/337929195.db2.gz YAIBBZFGQLEHRC-IFXJQAMLSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000537296921 337929090 /nfs/dbraw/zinc/92/90/90/337929090.db2.gz YAIBBZFGQLEHRC-LIRRHRJNSA-N 0 3 310.416 5.135 20 30 DKEDHN CC[C@@H](C)[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000537328809 337931219 /nfs/dbraw/zinc/93/12/19/337931219.db2.gz FWKRBXDRIJIJES-PXAZEXFGSA-N 0 3 318.873 5.150 20 30 DKEDHN CC(C)C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400343 337935414 /nfs/dbraw/zinc/93/54/14/337935414.db2.gz XCMPREVWTRZBNH-FOIQADDNSA-N 0 3 310.416 5.135 20 30 DKEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)s1 ZINC000537407765 337933756 /nfs/dbraw/zinc/93/37/56/337933756.db2.gz ZUJDUJPDIABUGI-YGRLFVJLSA-N 0 3 322.836 5.214 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1ccc2ccccc2n1)c1ccccc1 ZINC000537946263 331508506 /nfs/dbraw/zinc/50/85/06/331508506.db2.gz XHWBJDUIJGASRT-DYESRHJHSA-N 0 3 316.448 5.593 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccccc1 ZINC000537946264 331508473 /nfs/dbraw/zinc/50/84/73/331508473.db2.gz XHWBJDUIJGASRT-LAUBAEHRSA-N 0 3 316.448 5.593 20 30 DKEDHN N#Cc1ccccc1-c1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000538113911 340809828 /nfs/dbraw/zinc/80/98/28/340809828.db2.gz QSSODUREFNDHTO-QHCPKHFHSA-N 0 3 324.427 5.002 20 30 DKEDHN CC(C)(C#N)c1ccccc1CNC1(c2ccccc2)CCCC1 ZINC000538188867 340812513 /nfs/dbraw/zinc/81/25/13/340812513.db2.gz RMEZSTSQZLYRGH-UHFFFAOYSA-N 0 3 318.464 5.047 20 30 DKEDHN C[C@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1cccc(C#N)c1 ZINC000538393155 340820327 /nfs/dbraw/zinc/82/03/27/340820327.db2.gz HJXJATIGQQMPJD-BTYIYWSLSA-N 0 3 322.427 5.279 20 30 DKEDHN CC(C)Sc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000538393279 340820304 /nfs/dbraw/zinc/82/03/04/340820304.db2.gz LBLLLRUOPCJHHK-CVEARBPZSA-N 0 3 324.493 5.471 20 30 DKEDHN CC(C)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000538393604 340820450 /nfs/dbraw/zinc/82/04/50/340820450.db2.gz BNFHARBHEGXQGP-AUUYWEPGSA-N 0 3 312.844 5.260 20 30 DKEDHN C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cccc(C#N)c1 ZINC000538396673 340820941 /nfs/dbraw/zinc/82/09/41/340820941.db2.gz XVESLENQHQLYGT-JLTOFOAXSA-N 0 3 324.855 5.404 20 30 DKEDHN C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cccc(C#N)c1 ZINC000538396675 340820814 /nfs/dbraw/zinc/82/08/14/340820814.db2.gz XVESLENQHQLYGT-VLIAUNLRSA-N 0 3 324.855 5.404 20 30 DKEDHN C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1cccc(C#N)c1 ZINC000538407917 340821738 /nfs/dbraw/zinc/82/17/38/340821738.db2.gz OWHIFMWRUNNUTR-FOIQADDNSA-N 0 3 304.437 5.022 20 30 DKEDHN C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1cccc(C#N)c1 ZINC000538407924 340821762 /nfs/dbraw/zinc/82/17/62/340821762.db2.gz OWHIFMWRUNNUTR-YWZLYKJASA-N 0 3 304.437 5.022 20 30 DKEDHN N#Cc1ccc(CN[C@H](CC2CCCC2)c2ccccc2)s1 ZINC000538426261 340823274 /nfs/dbraw/zinc/82/32/74/340823274.db2.gz CNXJYNYBEQNVFE-LJQANCHMSA-N 0 3 310.466 5.031 20 30 DKEDHN CC1(C)CC[C@H]2C[C@H](NCc3cc(C#N)cs3)c3cccc1c32 ZINC000538487688 340827706 /nfs/dbraw/zinc/82/77/06/340827706.db2.gz TUJVNQAQSDPLAL-KSSFIOAISA-N 0 3 322.477 5.009 20 30 DKEDHN C[C@H](N[C@H](c1ccccc1)C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538508053 340829531 /nfs/dbraw/zinc/82/95/31/340829531.db2.gz SYSHQARJLLKVLC-YCRPNKLZSA-N 0 3 322.427 5.279 20 30 DKEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000538508362 340829680 /nfs/dbraw/zinc/82/96/80/340829680.db2.gz JUWQEYZAEIPHGO-KZULUSFZSA-N 0 3 316.807 5.153 20 30 DKEDHN C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000538508454 340829631 /nfs/dbraw/zinc/82/96/31/340829631.db2.gz MYSWSPVAQLPXRJ-AUUYWEPGSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000538508456 340829629 /nfs/dbraw/zinc/82/96/29/340829629.db2.gz MYSWSPVAQLPXRJ-KUHUBIRLSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000538508457 340829684 /nfs/dbraw/zinc/82/96/84/340829684.db2.gz MYSWSPVAQLPXRJ-LIRRHRJNSA-N 0 3 310.416 5.135 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000539046382 340867021 /nfs/dbraw/zinc/86/70/21/340867021.db2.gz DUHZYCUGEFSYKT-HRAATJIYSA-N 0 3 307.437 5.075 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000539046383 340867119 /nfs/dbraw/zinc/86/71/19/340867119.db2.gz DUHZYCUGEFSYKT-IERDGZPVSA-N 0 3 307.437 5.075 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000539046385 340867030 /nfs/dbraw/zinc/86/70/30/340867030.db2.gz DUHZYCUGEFSYKT-KKSFZXQISA-N 0 3 307.437 5.075 20 30 DKEDHN C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc2c(s1)CCCC2 ZINC000539048177 340867342 /nfs/dbraw/zinc/86/73/42/340867342.db2.gz BOCHFUWWJUYQLX-CRAIPNDOSA-N 0 3 324.493 5.323 20 30 DKEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc2ccccc21 ZINC000539052180 340868105 /nfs/dbraw/zinc/86/81/05/340868105.db2.gz FSTAOZMUOSWBRJ-HTAPYJJXSA-N 0 3 314.432 5.535 20 30 DKEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc2ccccc21 ZINC000539052190 340868088 /nfs/dbraw/zinc/86/80/88/340868088.db2.gz FSTAOZMUOSWBRJ-JTSKRJEESA-N 0 3 314.432 5.535 20 30 DKEDHN C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc2ccccc21 ZINC000539052193 340868078 /nfs/dbraw/zinc/86/80/78/340868078.db2.gz FSTAOZMUOSWBRJ-VGSWGCGISA-N 0 3 314.432 5.535 20 30 DKEDHN CCC(CC)[C@@H](NCc1cc(C#N)ccc1F)c1cccs1 ZINC000539275735 340879053 /nfs/dbraw/zinc/87/90/53/340879053.db2.gz BWMAQALACQJXQQ-GOSISDBHSA-N 0 3 316.445 5.026 20 30 DKEDHN CCC(CC)[C@H](NCc1cccc(C#N)c1F)c1cccs1 ZINC000539279208 340879167 /nfs/dbraw/zinc/87/91/67/340879167.db2.gz AYXXQFWGJHARKW-SFHVURJKSA-N 0 3 316.445 5.026 20 30 DKEDHN C=CCC[C@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000539359985 340882539 /nfs/dbraw/zinc/88/25/39/340882539.db2.gz VVESBDFPAFDXSJ-NRFANRHFSA-N 0 3 318.464 5.285 20 30 DKEDHN Cc1ccccc1[C@H](NCc1ccccc1C(C)(C)C#N)C1CC1 ZINC000539493100 340886846 /nfs/dbraw/zinc/88/68/46/340886846.db2.gz JERSSJORCFOCPI-OAQYLSRUSA-N 0 3 318.464 5.037 20 30 DKEDHN COc1ccccc1[C@H](CC(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000539494941 340887255 /nfs/dbraw/zinc/88/72/55/340887255.db2.gz WZQMEEGHCPPGOI-JXFKEZNVSA-N 0 3 322.452 5.005 20 30 DKEDHN COc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000539494942 340887212 /nfs/dbraw/zinc/88/72/12/340887212.db2.gz WZQMEEGHCPPGOI-OXJNMPFZSA-N 0 3 322.452 5.005 20 30 DKEDHN COc1ccccc1[C@@H](CC(C)C)N[C@H](C)c1cccc(C#N)c1 ZINC000539494943 340887159 /nfs/dbraw/zinc/88/71/59/340887159.db2.gz WZQMEEGHCPPGOI-OXQOHEQNSA-N 0 3 322.452 5.005 20 30 DKEDHN CCCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000539496769 340887560 /nfs/dbraw/zinc/88/75/60/340887560.db2.gz UMYKQUDNLQZWRS-HRAATJIYSA-N 0 3 322.452 5.149 20 30 DKEDHN CCCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000539496772 340887481 /nfs/dbraw/zinc/88/74/81/340887481.db2.gz UMYKQUDNLQZWRS-KKSFZXQISA-N 0 3 322.452 5.149 20 30 DKEDHN C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000539496810 340887540 /nfs/dbraw/zinc/88/75/40/340887540.db2.gz MESCNTHNZCZESR-JLTOFOAXSA-N 0 3 324.855 5.404 20 30 DKEDHN C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000539496819 340887564 /nfs/dbraw/zinc/88/75/64/340887564.db2.gz MESCNTHNZCZESR-VLIAUNLRSA-N 0 3 324.855 5.404 20 30 DKEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000539496820 340887551 /nfs/dbraw/zinc/88/75/51/340887551.db2.gz MESCNTHNZCZESR-XOBRGWDASA-N 0 3 324.855 5.404 20 30 DKEDHN C[C@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1cccc(C#N)c1 ZINC000539496861 340887474 /nfs/dbraw/zinc/88/74/74/340887474.db2.gz NFGAMXWXWYRXNU-IFXJQAMLSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1cccc(C#N)c1 ZINC000539496862 340887587 /nfs/dbraw/zinc/88/75/87/340887587.db2.gz NFGAMXWXWYRXNU-KUHUBIRLSA-N 0 3 310.416 5.135 20 30 DKEDHN C[C@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1cccc(C#N)c1 ZINC000539496864 340887607 /nfs/dbraw/zinc/88/76/07/340887607.db2.gz NFGAMXWXWYRXNU-LIRRHRJNSA-N 0 3 310.416 5.135 20 30 DKEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000539497241 340887639 /nfs/dbraw/zinc/88/76/39/340887639.db2.gz SAWCEEASBPFZQV-BXUZGUMPSA-N 0 3 304.846 5.075 20 30 DKEDHN C[C@H](N[C@H](c1ccccc1)C1CCCC1)c1cccc(C#N)c1 ZINC000539500195 340887994 /nfs/dbraw/zinc/88/79/94/340887994.db2.gz UBTSMRXQQYMODX-HRAATJIYSA-N 0 3 304.437 5.140 20 30 DKEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCCC1)c1cccc(C#N)c1 ZINC000539500196 340887967 /nfs/dbraw/zinc/88/79/67/340887967.db2.gz UBTSMRXQQYMODX-IERDGZPVSA-N 0 3 304.437 5.140 20 30 DKEDHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000539608288 340892286 /nfs/dbraw/zinc/89/22/86/340892286.db2.gz CFPFEWJDKBESPN-YWZLYKJASA-N 0 3 310.416 5.054 20 30 DKEDHN CC(C)C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccs1 ZINC000539608471 340892265 /nfs/dbraw/zinc/89/22/65/340892265.db2.gz MRPBJDJDILUNOJ-DYVFJYSZSA-N 0 3 316.445 5.197 20 30 DKEDHN CC(C)C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccs1 ZINC000539608472 340892376 /nfs/dbraw/zinc/89/23/76/340892376.db2.gz MRPBJDJDILUNOJ-GUYCJALGSA-N 0 3 316.445 5.197 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000539610628 340892740 /nfs/dbraw/zinc/89/27/40/340892740.db2.gz IITVQAVILIKLBH-FOIQADDNSA-N 0 3 308.400 5.055 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000539610761 340892662 /nfs/dbraw/zinc/89/26/62/340892662.db2.gz IITVQAVILIKLBH-MGPUTAFESA-N 0 3 308.400 5.055 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000539610763 340892761 /nfs/dbraw/zinc/89/27/61/340892761.db2.gz IITVQAVILIKLBH-QRWLVFNGSA-N 0 3 308.400 5.055 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1ccoc1)c1ccc(C(F)(F)F)cc1 ZINC000540149037 340917268 /nfs/dbraw/zinc/91/72/68/340917268.db2.gz LJYGTFHFXZCRMB-CXAGYDPISA-N 0 3 323.358 5.657 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1ccoc1)c1ccc(C(F)(F)F)cc1 ZINC000540149038 340917215 /nfs/dbraw/zinc/91/72/15/340917215.db2.gz LJYGTFHFXZCRMB-DYVFJYSZSA-N 0 3 323.358 5.657 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1ccoc1)c1ccc(C(F)(F)F)cc1 ZINC000540149040 340917226 /nfs/dbraw/zinc/91/72/26/340917226.db2.gz LJYGTFHFXZCRMB-SUMWQHHRSA-N 0 3 323.358 5.657 20 30 DKEDHN C=CCC[C@@H](N[C@H](C)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000540150278 340917440 /nfs/dbraw/zinc/91/74/40/340917440.db2.gz GQGFYPDOENAQKD-DNVCBOLYSA-N 0 3 313.416 5.192 20 30 DKEDHN C=CCC[C@H](N[C@@H](C)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000540150280 340917448 /nfs/dbraw/zinc/91/74/48/340917448.db2.gz GQGFYPDOENAQKD-KXBFYZLASA-N 0 3 313.416 5.192 20 30 DKEDHN C=CCC[C@H](N[C@H](C)c1sc(CC)nc1C)c1ccccc1 ZINC000540150307 340917437 /nfs/dbraw/zinc/91/74/37/340917437.db2.gz IBVDHOVEJWHYSI-PBHICJAKSA-N 0 3 314.498 5.372 20 30 DKEDHN C=CCC[C@@H](N[C@@H](C)c1sc(CC)nc1C)c1ccccc1 ZINC000540150309 340917482 /nfs/dbraw/zinc/91/74/82/340917482.db2.gz IBVDHOVEJWHYSI-WMLDXEAASA-N 0 3 314.498 5.372 20 30 DKEDHN Cc1cc(C)c([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1C ZINC000540151859 340917715 /nfs/dbraw/zinc/91/77/15/340917715.db2.gz BJGWRPMIILPTAS-WIYYLYMNSA-N 0 3 306.453 5.308 20 30 DKEDHN CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(C)cc1 ZINC000540355494 340928304 /nfs/dbraw/zinc/92/83/04/340928304.db2.gz GCDKPSZVWCCHLL-HXUWFJFHSA-N 0 3 306.453 5.037 20 30 DKEDHN CCC(CC)[C@@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000540378562 333265546 /nfs/dbraw/zinc/26/55/46/333265546.db2.gz AEBWCFGVPYDXNG-GOSISDBHSA-N 0 3 316.445 5.026 20 30 DKEDHN CCC(CC)[C@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000540378569 333265586 /nfs/dbraw/zinc/26/55/86/333265586.db2.gz AEBWCFGVPYDXNG-SFHVURJKSA-N 0 3 316.445 5.026 20 30 DKEDHN C=CCC[C@H](NCc1ccccc1OC(F)F)c1ccccc1 ZINC000540456168 340932016 /nfs/dbraw/zinc/93/20/16/340932016.db2.gz GFUBWWIAHQJPLR-KRWDZBQOSA-N 0 3 317.379 5.085 20 30 DKEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000540525313 340934851 /nfs/dbraw/zinc/93/48/51/340934851.db2.gz SWGGRRHXRADVFD-BBNYVJOESA-N 0 3 324.855 5.260 20 30 DKEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000540525314 340934887 /nfs/dbraw/zinc/93/48/87/340934887.db2.gz SWGGRRHXRADVFD-RYMBOPBQSA-N 0 3 324.855 5.260 20 30 DKEDHN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540525316 340934900 /nfs/dbraw/zinc/93/49/00/340934900.db2.gz SWGGRRHXRADVFD-WZBLMQSHSA-N 0 3 324.855 5.260 20 30 DKEDHN CC(C)(C)C[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000540589204 340936621 /nfs/dbraw/zinc/93/66/21/340936621.db2.gz QKIJXCABCSGLAE-KRWDZBQOSA-N 0 3 316.445 5.026 20 30 DKEDHN C[C@@H](N[C@H](c1ccccc1F)C1CCCC1)c1cccc(C#N)c1 ZINC000540591031 340936807 /nfs/dbraw/zinc/93/68/07/340936807.db2.gz DDPWIPWTEIBDAZ-VFNWGFHPSA-N 0 3 322.427 5.279 20 30 DKEDHN Cc1ccccc1[C@@H](N[C@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000540592175 518191026 /nfs/dbraw/zinc/19/10/26/518191026.db2.gz UEFZTYROKPPWQG-OXQOHEQNSA-N 0 3 306.453 5.305 20 30 DKEDHN Cc1ccccc1[C@H](N[C@H](C)c1cccc(C#N)c1)C(C)(C)C ZINC000540592176 340937014 /nfs/dbraw/zinc/93/70/14/340937014.db2.gz UEFZTYROKPPWQG-UZLBHIALSA-N 0 3 306.453 5.305 20 30 DKEDHN Cc1c2ccccc2oc1[C@@H](NCc1ccc(C#N)s1)C(C)C ZINC000540598546 340937926 /nfs/dbraw/zinc/93/79/26/340937926.db2.gz GUSDHOCARSCLJR-SFHVURJKSA-N 0 3 324.449 5.161 20 30 DKEDHN CC(C)C[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000540613677 340938855 /nfs/dbraw/zinc/93/88/55/340938855.db2.gz LZPJIGKWMPPQAY-KRWDZBQOSA-N 0 3 318.873 5.150 20 30 DKEDHN CC(C)C[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000540613684 340938962 /nfs/dbraw/zinc/93/89/62/340938962.db2.gz LZPJIGKWMPPQAY-QGZVFWFLSA-N 0 3 318.873 5.150 20 30 DKEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000540705560 340942259 /nfs/dbraw/zinc/94/22/59/340942259.db2.gz TZPSNTLPFSBAKT-KPZWWZAWSA-N 0 3 316.807 5.153 20 30 DKEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000540705562 340942280 /nfs/dbraw/zinc/94/22/80/340942280.db2.gz TZPSNTLPFSBAKT-SGTLLEGYSA-N 0 3 316.807 5.153 20 30 DKEDHN C[C@H](NCc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541090973 340958834 /nfs/dbraw/zinc/95/88/34/340958834.db2.gz XQSHXRJRDHKTDT-KRWDZBQOSA-N 0 3 312.416 5.076 20 30 DKEDHN CCC(CC)[C@@H](NCc1ccc(CC#N)cc1)c1cccs1 ZINC000541325507 340967238 /nfs/dbraw/zinc/96/72/38/340967238.db2.gz AHDSOKYVNHKUNN-LJQANCHMSA-N 0 3 312.482 5.081 20 30 DKEDHN N#CCc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000541327983 340967383 /nfs/dbraw/zinc/96/73/83/340967383.db2.gz KXPDRFHQQMECLK-FQEVSTJZSA-N 0 3 324.855 5.037 20 30 DKEDHN N#CCc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000541327985 340967296 /nfs/dbraw/zinc/96/72/96/340967296.db2.gz KXPDRFHQQMECLK-HXUWFJFHSA-N 0 3 324.855 5.037 20 30 DKEDHN N#CCc1ccc(CN[C@@H](CC2CCCC2)c2ccccc2)cc1 ZINC000541329197 340967273 /nfs/dbraw/zinc/96/72/73/340967273.db2.gz ZVKUPULIYNGYHP-QFIPXVFZSA-N 0 3 318.464 5.164 20 30 DKEDHN C[C@@H](NCCCC#N)c1ccc(-c2ccccc2Cl)s1 ZINC000541568528 340975023 /nfs/dbraw/zinc/97/50/23/340975023.db2.gz VFPHWLDJCHQOAP-GFCCVEGCSA-N 0 3 304.846 5.023 20 30 DKEDHN C[C@H](NCCCC#N)c1ccc(-c2ccccc2Cl)s1 ZINC000541568529 340975109 /nfs/dbraw/zinc/97/51/09/340975109.db2.gz VFPHWLDJCHQOAP-LBPRGKRZSA-N 0 3 304.846 5.023 20 30 DKEDHN C[C@H](NCCCC#N)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000541738827 340981716 /nfs/dbraw/zinc/98/17/16/340981716.db2.gz SNRYEBFXVTXASL-NSHDSACASA-N 0 3 322.836 5.162 20 30 DKEDHN CC(C)(C)C[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000542255062 341002277 /nfs/dbraw/zinc/00/22/77/341002277.db2.gz AVZYUVXWIXNUME-FQEVSTJZSA-N 0 3 306.453 5.020 20 30 DKEDHN CC(C)(C)C[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000542255063 341002334 /nfs/dbraw/zinc/00/23/34/341002334.db2.gz AVZYUVXWIXNUME-HXUWFJFHSA-N 0 3 306.453 5.020 20 30 DKEDHN CC(C)Sc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000542260041 341002353 /nfs/dbraw/zinc/00/23/53/341002353.db2.gz VJZTXXFISWHWEO-INIZCTEOSA-N 0 3 324.493 5.104 20 30 DKEDHN CC(C)Sc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000542260045 341002425 /nfs/dbraw/zinc/00/24/25/341002425.db2.gz VJZTXXFISWHWEO-MRXNPFEDSA-N 0 3 324.493 5.104 20 30 DKEDHN C=CC[C@H](C)N[C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000542493471 341010325 /nfs/dbraw/zinc/01/03/25/341010325.db2.gz BCMNNIPKRSXZKO-BTYIYWSLSA-N 0 3 320.411 5.018 20 30 DKEDHN C=CC[C@@H](C)N[C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000542493477 341010245 /nfs/dbraw/zinc/01/02/45/341010245.db2.gz BCMNNIPKRSXZKO-QVKFZJNVSA-N 0 3 320.411 5.018 20 30 DKEDHN C=CC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000542493478 341010309 /nfs/dbraw/zinc/01/03/09/341010309.db2.gz BCMNNIPKRSXZKO-VFNWGFHPSA-N 0 3 320.411 5.018 20 30 DKEDHN C=CC[C@H](C)N[C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000542493479 341010315 /nfs/dbraw/zinc/01/03/15/341010315.db2.gz BCMNNIPKRSXZKO-YCRPNKLZSA-N 0 3 320.411 5.018 20 30 DKEDHN CC(C)(C)C[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000543185030 341035822 /nfs/dbraw/zinc/03/58/22/341035822.db2.gz IBNSTUCBIHPMMY-FQEVSTJZSA-N 0 3 324.443 5.159 20 30 DKEDHN CC(C)(C)C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000543185039 341035811 /nfs/dbraw/zinc/03/58/11/341035811.db2.gz IBNSTUCBIHPMMY-HXUWFJFHSA-N 0 3 324.443 5.159 20 30 DKEDHN C[C@H](NCc1ccsc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543877334 341062322 /nfs/dbraw/zinc/06/23/22/341062322.db2.gz YBADFECZIDQDBC-HNNXBMFYSA-N 0 3 318.445 5.138 20 30 DKEDHN C[C@@H](NCc1ccsc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543877335 341062391 /nfs/dbraw/zinc/06/23/91/341062391.db2.gz YBADFECZIDQDBC-OAHLLOKOSA-N 0 3 318.445 5.138 20 30 DKEDHN CCC(CC)[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000544120904 341070960 /nfs/dbraw/zinc/07/09/60/341070960.db2.gz UAWWHGPBOGTNLA-NRFANRHFSA-N 0 3 306.453 5.020 20 30 DKEDHN CCC(CC)[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000544120905 341071031 /nfs/dbraw/zinc/07/10/31/341071031.db2.gz UAWWHGPBOGTNLA-OAQYLSRUSA-N 0 3 306.453 5.020 20 30 DKEDHN N#CCC[C@@H](NC1CC(c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000544369823 341078666 /nfs/dbraw/zinc/07/86/66/341078666.db2.gz DKNJKNNXJQKKGL-LYBXBRPPSA-N 0 3 324.855 5.221 20 30 DKEDHN N#CCC[C@H](NC1CC(c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000544369827 341078645 /nfs/dbraw/zinc/07/86/45/341078645.db2.gz DKNJKNNXJQKKGL-UUKMXZOPSA-N 0 3 324.855 5.221 20 30 DKEDHN C[C@@H](NCCCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000544387106 341079614 /nfs/dbraw/zinc/07/96/14/341079614.db2.gz VPVQLDJPRHDEIW-GFCCVEGCSA-N 0 3 304.846 5.023 20 30 DKEDHN C[C@H](NCCCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000544387108 341079678 /nfs/dbraw/zinc/07/96/78/341079678.db2.gz VPVQLDJPRHDEIW-LBPRGKRZSA-N 0 3 304.846 5.023 20 30 DKEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc(C3CCC3)c2)n1 ZINC000546678070 341178438 /nfs/dbraw/zinc/17/84/38/341178438.db2.gz HZBPSRISHIWLJU-INIZCTEOSA-N 0 3 324.449 5.024 20 30 DKEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc(C3CCC3)c2)n1 ZINC000546678072 341178452 /nfs/dbraw/zinc/17/84/52/341178452.db2.gz HZBPSRISHIWLJU-MRXNPFEDSA-N 0 3 324.449 5.024 20 30 DKEDHN C[C@H](NCc1ccc(-c2ccsc2)cc1)c1ccc(C#N)cc1 ZINC000549166682 341287811 /nfs/dbraw/zinc/28/78/11/341287811.db2.gz SZWFLFYYLROKNK-HNNXBMFYSA-N 0 3 318.445 5.138 20 30 DKEDHN C[C@@H](NCc1ccc(-c2ccsc2)cc1)c1ccc(C#N)cc1 ZINC000549166683 341287802 /nfs/dbraw/zinc/28/78/02/341287802.db2.gz SZWFLFYYLROKNK-OAHLLOKOSA-N 0 3 318.445 5.138 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000550827520 341323767 /nfs/dbraw/zinc/32/37/67/341323767.db2.gz MLLRHSCYQAPXNZ-BEFAXECRSA-N 0 3 312.844 5.426 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000550827521 341323813 /nfs/dbraw/zinc/32/38/13/341323813.db2.gz MLLRHSCYQAPXNZ-DNVCBOLYSA-N 0 3 312.844 5.426 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000550827522 341323854 /nfs/dbraw/zinc/32/38/54/341323854.db2.gz MLLRHSCYQAPXNZ-HNAYVOBHSA-N 0 3 312.844 5.426 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000550827523 341323730 /nfs/dbraw/zinc/32/37/30/341323730.db2.gz MLLRHSCYQAPXNZ-KXBFYZLASA-N 0 3 312.844 5.426 20 30 DKEDHN CCc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000550828961 341323734 /nfs/dbraw/zinc/32/37/34/341323734.db2.gz QDNXAZHFHATPHV-DYESRHJHSA-N 0 3 306.453 5.335 20 30 DKEDHN CCc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000550828962 341323759 /nfs/dbraw/zinc/32/37/59/341323759.db2.gz QDNXAZHFHATPHV-LAUBAEHRSA-N 0 3 306.453 5.335 20 30 DKEDHN CCc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550828963 341323719 /nfs/dbraw/zinc/32/37/19/341323719.db2.gz QDNXAZHFHATPHV-UTKZUKDTSA-N 0 3 306.453 5.335 20 30 DKEDHN CCc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550828964 341323721 /nfs/dbraw/zinc/32/37/21/341323721.db2.gz QDNXAZHFHATPHV-UWJYYQICSA-N 0 3 306.453 5.335 20 30 DKEDHN CC(C)c1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550829093 341323870 /nfs/dbraw/zinc/32/38/70/341323870.db2.gz AVJXVFRLACUPLI-AVRDEDQJSA-N 0 3 320.480 5.896 20 30 DKEDHN CC(C)c1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550829094 341323868 /nfs/dbraw/zinc/32/38/68/341323868.db2.gz AVJXVFRLACUPLI-GCJKJVERSA-N 0 3 320.480 5.896 20 30 DKEDHN CC(C)c1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000550829095 341323913 /nfs/dbraw/zinc/32/39/13/341323913.db2.gz AVJXVFRLACUPLI-PGRDOPGGSA-N 0 3 320.480 5.896 20 30 DKEDHN CC(C)c1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000550829096 341323938 /nfs/dbraw/zinc/32/39/38/341323938.db2.gz AVJXVFRLACUPLI-XMSQKQJNSA-N 0 3 320.480 5.896 20 30 DKEDHN N#CCCC[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000550829552 341323921 /nfs/dbraw/zinc/32/39/21/341323921.db2.gz XWFGJQHMYPKRFO-PMACEKPBSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000550829553 341323864 /nfs/dbraw/zinc/32/38/64/341323864.db2.gz XWFGJQHMYPKRFO-UXHICEINSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000550829554 341323963 /nfs/dbraw/zinc/32/39/63/341323963.db2.gz XWFGJQHMYPKRFO-VQTJNVASSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000550829555 341323903 /nfs/dbraw/zinc/32/39/03/341323903.db2.gz XWFGJQHMYPKRFO-WOJBJXKFSA-N 0 3 324.855 5.352 20 30 DKEDHN CCCc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550834681 341324080 /nfs/dbraw/zinc/32/40/80/341324080.db2.gz BXDZVJCNLVUDDN-AVRDEDQJSA-N 0 3 320.480 5.725 20 30 DKEDHN CCCc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000550834682 341324106 /nfs/dbraw/zinc/32/41/06/341324106.db2.gz BXDZVJCNLVUDDN-GCJKJVERSA-N 0 3 320.480 5.725 20 30 DKEDHN CCCc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000550834683 341324065 /nfs/dbraw/zinc/32/40/65/341324065.db2.gz BXDZVJCNLVUDDN-PGRDOPGGSA-N 0 3 320.480 5.725 20 30 DKEDHN CCCc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000550834684 341324056 /nfs/dbraw/zinc/32/40/56/341324056.db2.gz BXDZVJCNLVUDDN-XMSQKQJNSA-N 0 3 320.480 5.725 20 30 DKEDHN C=CCC(C)(C)CN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000550856022 341324557 /nfs/dbraw/zinc/32/45/57/341324557.db2.gz QEQOGEOOHIBAGY-FQEVSTJZSA-N 0 3 320.436 5.109 20 30 DKEDHN C=CCC(C)(C)CN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000550856023 341324580 /nfs/dbraw/zinc/32/45/80/341324580.db2.gz QEQOGEOOHIBAGY-HXUWFJFHSA-N 0 3 320.436 5.109 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(F)c2ccccc21)c1ccc(C#N)cc1 ZINC000551007059 341328947 /nfs/dbraw/zinc/32/89/47/341328947.db2.gz CRPVYCZTKWRYNZ-CABCVRRESA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@H](N[C@@H](C)c1ccc(F)c2ccccc21)c1ccc(C#N)cc1 ZINC000551007069 341328909 /nfs/dbraw/zinc/32/89/09/341328909.db2.gz CRPVYCZTKWRYNZ-GJZGRUSLSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@@H](N[C@H](C)c1ccc(F)c2ccccc21)c1ccc(C#N)cc1 ZINC000551007070 341328921 /nfs/dbraw/zinc/32/89/21/341328921.db2.gz CRPVYCZTKWRYNZ-HUUCEWRRSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000551007071 341328972 /nfs/dbraw/zinc/32/89/72/341328972.db2.gz CRPVYCZTKWRYNZ-LSDHHAIUSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@@H](N[C@@H](C)c1ccc(F)c2ccccc21)c1cccc(C#N)c1 ZINC000551039152 341330019 /nfs/dbraw/zinc/33/00/19/341330019.db2.gz MHCWFIYUOLWUQF-CABCVRRESA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@H](N[C@@H](C)c1ccc(F)c2ccccc21)c1cccc(C#N)c1 ZINC000551039153 341329977 /nfs/dbraw/zinc/32/99/77/341329977.db2.gz MHCWFIYUOLWUQF-GJZGRUSLSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@@H](N[C@H](C)c1ccc(F)c2ccccc21)c1cccc(C#N)c1 ZINC000551039154 341329966 /nfs/dbraw/zinc/32/99/66/341329966.db2.gz MHCWFIYUOLWUQF-HUUCEWRRSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000551039155 341329956 /nfs/dbraw/zinc/32/99/56/341329956.db2.gz MHCWFIYUOLWUQF-LSDHHAIUSA-N 0 3 318.395 5.262 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000551204097 341333761 /nfs/dbraw/zinc/33/37/61/341333761.db2.gz ABEVUWNBBPVBSB-DZGCQCFKSA-N 0 3 318.873 5.487 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000551204109 341333840 /nfs/dbraw/zinc/33/38/40/341333840.db2.gz ABEVUWNBBPVBSB-HIFRSBDPSA-N 0 3 318.873 5.487 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000551204111 341333813 /nfs/dbraw/zinc/33/38/13/341333813.db2.gz ABEVUWNBBPVBSB-UKRRQHHQSA-N 0 3 318.873 5.487 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)s1 ZINC000551204113 341333834 /nfs/dbraw/zinc/33/38/34/341333834.db2.gz ABEVUWNBBPVBSB-ZFWWWQNUSA-N 0 3 318.873 5.487 20 30 DKEDHN CCc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)s1 ZINC000551204873 341333799 /nfs/dbraw/zinc/33/37/99/341333799.db2.gz GNHJQZUVAASPMX-CRAIPNDOSA-N 0 3 312.482 5.396 20 30 DKEDHN CCc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)s1 ZINC000551204874 341333832 /nfs/dbraw/zinc/33/38/32/341333832.db2.gz GNHJQZUVAASPMX-MAUKXSAKSA-N 0 3 312.482 5.396 20 30 DKEDHN CCc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)s1 ZINC000551204875 341333837 /nfs/dbraw/zinc/33/38/37/341333837.db2.gz GNHJQZUVAASPMX-QAPCUYQASA-N 0 3 312.482 5.396 20 30 DKEDHN CCc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)s1 ZINC000551204876 341333844 /nfs/dbraw/zinc/33/38/44/341333844.db2.gz GNHJQZUVAASPMX-YJBOKZPZSA-N 0 3 312.482 5.396 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000551207001 341333992 /nfs/dbraw/zinc/33/39/92/341333992.db2.gz YVWCEOKOPOGWKX-APWZRJJASA-N 0 3 318.420 5.519 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000551207004 341333923 /nfs/dbraw/zinc/33/39/23/341333923.db2.gz YVWCEOKOPOGWKX-LPHOPBHVSA-N 0 3 318.420 5.519 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000551207005 341333887 /nfs/dbraw/zinc/33/38/87/341333887.db2.gz YVWCEOKOPOGWKX-QFBILLFUSA-N 0 3 318.420 5.519 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000551207007 341333941 /nfs/dbraw/zinc/33/39/41/341333941.db2.gz YVWCEOKOPOGWKX-VQIMIIECSA-N 0 3 318.420 5.519 20 30 DKEDHN N#CCCC[C@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000551212327 341334047 /nfs/dbraw/zinc/33/40/47/341334047.db2.gz ZJTDQMFEIINTNC-PMACEKPBSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000551212328 341334084 /nfs/dbraw/zinc/33/40/84/341334084.db2.gz ZJTDQMFEIINTNC-UXHICEINSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000551212329 341334116 /nfs/dbraw/zinc/33/41/16/341334116.db2.gz ZJTDQMFEIINTNC-VQTJNVASSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000551212330 341334102 /nfs/dbraw/zinc/33/41/02/341334102.db2.gz ZJTDQMFEIINTNC-WOJBJXKFSA-N 0 3 324.855 5.352 20 30 DKEDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1ccc(C#N)cc1 ZINC000551353665 341339329 /nfs/dbraw/zinc/33/93/29/341339329.db2.gz KUYVZVNKRYHAIB-GFCCVEGCSA-N 0 3 319.235 5.058 20 30 DKEDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1ccc(C#N)cc1 ZINC000551353668 341339293 /nfs/dbraw/zinc/33/92/93/341339293.db2.gz KUYVZVNKRYHAIB-LBPRGKRZSA-N 0 3 319.235 5.058 20 30 DKEDHN CCSc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551556188 341345151 /nfs/dbraw/zinc/34/51/51/341345151.db2.gz HQUFALVUJGAGEI-HNNXBMFYSA-N 0 3 322.477 5.010 20 30 DKEDHN CCSc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551556189 341345108 /nfs/dbraw/zinc/34/51/08/341345108.db2.gz HQUFALVUJGAGEI-OAHLLOKOSA-N 0 3 322.477 5.010 20 30 DKEDHN N#Cc1cccc(C2(NCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000551581671 341346323 /nfs/dbraw/zinc/34/63/23/341346323.db2.gz PYIFDCVBESGTBE-UHFFFAOYSA-N 0 3 324.427 5.004 20 30 DKEDHN CCCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000551787866 341351391 /nfs/dbraw/zinc/35/13/91/341351391.db2.gz NQQPLXJRWCZKIS-DLBZAZTESA-N 0 3 322.452 5.149 20 30 DKEDHN CCCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000551787867 341351375 /nfs/dbraw/zinc/35/13/75/341351375.db2.gz NQQPLXJRWCZKIS-IAGOWNOFSA-N 0 3 322.452 5.149 20 30 DKEDHN CCCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000551787868 341351406 /nfs/dbraw/zinc/35/14/06/341351406.db2.gz NQQPLXJRWCZKIS-IRXDYDNUSA-N 0 3 322.452 5.149 20 30 DKEDHN CCCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000551787869 341351506 /nfs/dbraw/zinc/35/15/06/341351506.db2.gz NQQPLXJRWCZKIS-SJORKVTESA-N 0 3 322.452 5.149 20 30 DKEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc2ccccc2s1 ZINC000551806504 341352364 /nfs/dbraw/zinc/35/23/64/341352364.db2.gz NOCUIVZKAUFOJU-AWEZNQCLSA-N 0 3 318.445 5.113 20 30 DKEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc2ccccc2s1 ZINC000551806505 341352500 /nfs/dbraw/zinc/35/25/00/341352500.db2.gz NOCUIVZKAUFOJU-CQSZACIVSA-N 0 3 318.445 5.113 20 30 DKEDHN CC(C)c1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551810989 341352517 /nfs/dbraw/zinc/35/25/17/341352517.db2.gz AEEWVYFDFPBHMP-INIZCTEOSA-N 0 3 304.437 5.022 20 30 DKEDHN CC(C)c1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551810993 341352613 /nfs/dbraw/zinc/35/26/13/341352613.db2.gz AEEWVYFDFPBHMP-MRXNPFEDSA-N 0 3 304.437 5.022 20 30 DKEDHN C=CCC[C@H](NCc1cc2c(s1)CCCC2)c1ccco1 ZINC000552040232 341364011 /nfs/dbraw/zinc/36/40/11/341364011.db2.gz NZSUOAMVJFBIRF-INIZCTEOSA-N 0 3 301.455 5.017 20 30 DKEDHN C=CCC[C@@H](NCc1cc2c(s1)CCCC2)c1ccco1 ZINC000552040233 341363998 /nfs/dbraw/zinc/36/39/98/341363998.db2.gz NZSUOAMVJFBIRF-MRXNPFEDSA-N 0 3 301.455 5.017 20 30 DKEDHN C=CCC[C@H](NCc1cccc(-c2cccnc2)c1)c1ccco1 ZINC000552065489 341366667 /nfs/dbraw/zinc/36/66/67/341366667.db2.gz BYMIXLRKLUDCPP-FQEVSTJZSA-N 0 3 318.420 5.139 20 30 DKEDHN C=CCC[C@@H](NCc1cccc(-c2cccnc2)c1)c1ccco1 ZINC000552065490 341366733 /nfs/dbraw/zinc/36/67/33/341366733.db2.gz BYMIXLRKLUDCPP-HXUWFJFHSA-N 0 3 318.420 5.139 20 30 DKEDHN N#CCCC[C@@H](NCc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000552083454 341368084 /nfs/dbraw/zinc/36/80/84/341368084.db2.gz GEIMEOWCZMVIGP-JOCHJYFZSA-N 0 3 318.464 5.090 20 30 DKEDHN N#CCCC[C@H](NCc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000552083455 341368231 /nfs/dbraw/zinc/36/82/31/341368231.db2.gz GEIMEOWCZMVIGP-QFIPXVFZSA-N 0 3 318.464 5.090 20 30 DKEDHN CCCc1cccc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000552313208 341385690 /nfs/dbraw/zinc/38/56/90/341385690.db2.gz UTJGHWSCSSYERK-NRFANRHFSA-N 0 3 306.453 5.164 20 30 DKEDHN CCCc1cccc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000552313209 341385683 /nfs/dbraw/zinc/38/56/83/341385683.db2.gz UTJGHWSCSSYERK-OAQYLSRUSA-N 0 3 306.453 5.164 20 30 DKEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](CC1CC1)c1ccccc1 ZINC000553873776 341437494 /nfs/dbraw/zinc/43/74/94/341437494.db2.gz QLSWXFSVCGIJFP-YADHBBJMSA-N 0 3 316.448 5.067 20 30 DKEDHN N#CCCC[C@@H](NCc1ccc(C2CCC2)cc1)c1ccccc1 ZINC000555586902 341486058 /nfs/dbraw/zinc/48/60/58/341486058.db2.gz KLPBKAIXIBNEAX-JOCHJYFZSA-N 0 3 318.464 5.479 20 30 DKEDHN N#CCCC[C@H](NCc1ccc(C2CCC2)cc1)c1ccccc1 ZINC000555586903 341485993 /nfs/dbraw/zinc/48/59/93/341485993.db2.gz KLPBKAIXIBNEAX-QFIPXVFZSA-N 0 3 318.464 5.479 20 30 DKEDHN Cc1cc(C)cc([C@H](C)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000556197541 341496934 /nfs/dbraw/zinc/49/69/34/341496934.db2.gz JTNUPBABADYTNA-GHTZIAJQSA-N 0 3 306.453 5.389 20 30 DKEDHN Cc1cc(C)cc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000556197542 341496946 /nfs/dbraw/zinc/49/69/46/341496946.db2.gz JTNUPBABADYTNA-NQIIRXRSSA-N 0 3 306.453 5.389 20 30 DKEDHN Cc1cc(C)cc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000556197544 341496966 /nfs/dbraw/zinc/49/69/66/341496966.db2.gz JTNUPBABADYTNA-WIYYLYMNSA-N 0 3 306.453 5.389 20 30 DKEDHN COc1cc(C)ccc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000556202702 341497064 /nfs/dbraw/zinc/49/70/64/341497064.db2.gz RONHNNWEQGWZCW-FXAWDEMLSA-N 0 3 322.452 5.089 20 30 DKEDHN COc1cc(C)ccc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000556202708 341497071 /nfs/dbraw/zinc/49/70/71/341497071.db2.gz RONHNNWEQGWZCW-PXNSSMCTSA-N 0 3 322.452 5.089 20 30 DKEDHN N#CCCC[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000556203083 341497126 /nfs/dbraw/zinc/49/71/26/341497126.db2.gz ZXTNXIKXPFZMTI-PMACEKPBSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@@H](N[C@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000556203086 341497123 /nfs/dbraw/zinc/49/71/23/341497123.db2.gz ZXTNXIKXPFZMTI-UXHICEINSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@H](N[C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000556203099 341497108 /nfs/dbraw/zinc/49/71/08/341497108.db2.gz ZXTNXIKXPFZMTI-VQTJNVASSA-N 0 3 324.855 5.352 20 30 DKEDHN N#CCCC[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000556203101 341497059 /nfs/dbraw/zinc/49/70/59/341497059.db2.gz ZXTNXIKXPFZMTI-WOJBJXKFSA-N 0 3 324.855 5.352 20 30 DKEDHN CC[C@H](NCc1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000556218658 341497783 /nfs/dbraw/zinc/49/77/83/341497783.db2.gz YFSZKFMRDRGQQV-SFHVURJKSA-N 0 3 306.434 5.014 20 30 DKEDHN N#CCCC[C@@H](NCc1ccc2ccccc2c1)c1ccccc1 ZINC000556908490 331751665 /nfs/dbraw/zinc/75/16/65/331751665.db2.gz RPGJWLONWPLWCG-JOCHJYFZSA-N 0 3 314.432 5.365 20 30 DKEDHN N#CCCC[C@H](NCc1ccc2ccccc2c1)c1ccccc1 ZINC000556908491 331751685 /nfs/dbraw/zinc/75/16/85/331751685.db2.gz RPGJWLONWPLWCG-QFIPXVFZSA-N 0 3 314.432 5.365 20 30 DKEDHN CC(C)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000556908806 331751952 /nfs/dbraw/zinc/75/19/52/331751952.db2.gz WDLZUWKEZAFZTD-NRFANRHFSA-N 0 3 306.453 5.335 20 30 DKEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(-c2ccccc2)cc1 ZINC000557665591 331807189 /nfs/dbraw/zinc/80/71/89/331807189.db2.gz WGJVNDDVXVCINZ-HNNXBMFYSA-N 0 3 318.445 5.138 20 30 DKEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(-c2ccccc2)cc1 ZINC000557665593 331807021 /nfs/dbraw/zinc/80/70/21/331807021.db2.gz WGJVNDDVXVCINZ-OAHLLOKOSA-N 0 3 318.445 5.138 20 30 DKEDHN CCC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000558158302 331880603 /nfs/dbraw/zinc/88/06/03/331880603.db2.gz UQHOJLIXZJMVID-LJQANCHMSA-N 0 3 312.844 5.037 20 30 DKEDHN C[C@@H](NCC(C)(C)CCC#N)c1cc(F)c(Cl)cc1Cl ZINC000558243964 331887162 /nfs/dbraw/zinc/88/71/62/331887162.db2.gz NAAKSICQOKINNN-SNVBAGLBSA-N 0 3 317.235 5.113 20 30 DKEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cc2cc(Cl)ccc2o1 ZINC000558409134 331903621 /nfs/dbraw/zinc/90/36/21/331903621.db2.gz OTTAADPVCBNCJT-ZDUSSCGKSA-N 0 3 324.811 5.003 20 30 DKEDHN C=CCC[C@@H](NCc1ccc(C(C)C)nc1C)c1ccccc1 ZINC000559147610 331982399 /nfs/dbraw/zinc/98/23/99/331982399.db2.gz AMWQVVUFFAPCHE-OAQYLSRUSA-N 0 3 308.469 5.311 20 30 DKEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000559859765 332286291 /nfs/dbraw/zinc/28/62/91/332286291.db2.gz OHMVVBXKDGXXSH-BEFAXECRSA-N 0 3 312.844 5.426 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000559859770 332286230 /nfs/dbraw/zinc/28/62/30/332286230.db2.gz OHMVVBXKDGXXSH-DNVCBOLYSA-N 0 3 312.844 5.426 20 30 DKEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000559859772 332286317 /nfs/dbraw/zinc/28/63/17/332286317.db2.gz OHMVVBXKDGXXSH-HNAYVOBHSA-N 0 3 312.844 5.426 20 30 DKEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000559859774 332286351 /nfs/dbraw/zinc/28/63/51/332286351.db2.gz OHMVVBXKDGXXSH-KXBFYZLASA-N 0 3 312.844 5.426 20 30 DKEDHN Cc1cccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)c1C ZINC000559860428 332286365 /nfs/dbraw/zinc/28/63/65/332286365.db2.gz ULQGMWMWYLLRMD-GHTZIAJQSA-N 0 3 306.453 5.389 20 30 DKEDHN Cc1cccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c1C ZINC000559860429 332286299 /nfs/dbraw/zinc/28/62/99/332286299.db2.gz ULQGMWMWYLLRMD-NQIIRXRSSA-N 0 3 306.453 5.389 20 30 DKEDHN Cc1cccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)c1C ZINC000559860430 332286223 /nfs/dbraw/zinc/28/62/23/332286223.db2.gz ULQGMWMWYLLRMD-RXVVDRJESA-N 0 3 306.453 5.389 20 30 DKEDHN Cc1cccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c1C ZINC000559860431 332286302 /nfs/dbraw/zinc/28/63/02/332286302.db2.gz ULQGMWMWYLLRMD-WIYYLYMNSA-N 0 3 306.453 5.389 20 30 DKEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(-c2cccs2)cc1 ZINC000559888990 332289351 /nfs/dbraw/zinc/28/93/51/332289351.db2.gz XOEJPJINSXBYPL-HNNXBMFYSA-N 0 3 318.445 5.138 20 30 DKEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(-c2cccs2)cc1 ZINC000559888992 332289281 /nfs/dbraw/zinc/28/92/81/332289281.db2.gz XOEJPJINSXBYPL-OAHLLOKOSA-N 0 3 318.445 5.138 20 30 DKEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc2ccccc21 ZINC000560260931 332324867 /nfs/dbraw/zinc/32/48/67/332324867.db2.gz FBFQHVZNFFTVDK-INIZCTEOSA-N 0 3 312.416 5.051 20 30 DKEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc2ccccc21 ZINC000560260932 332325175 /nfs/dbraw/zinc/32/51/75/332325175.db2.gz FBFQHVZNFFTVDK-MRXNPFEDSA-N 0 3 312.416 5.051 20 30 DKEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC000560269168 332325712 /nfs/dbraw/zinc/32/57/12/332325712.db2.gz PKEAFERLCKJVJE-INIZCTEOSA-N 0 3 312.416 5.051 20 30 DKEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC000560269395 332325732 /nfs/dbraw/zinc/32/57/32/332325732.db2.gz PKEAFERLCKJVJE-MRXNPFEDSA-N 0 3 312.416 5.051 20 30 DKEDHN CCCOc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000560561086 332358671 /nfs/dbraw/zinc/35/86/71/332358671.db2.gz DAOCDXPDSIKTNW-NRFANRHFSA-N 0 3 322.452 5.000 20 30 DKEDHN CCCOc1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000560561087 332358558 /nfs/dbraw/zinc/35/85/58/332358558.db2.gz DAOCDXPDSIKTNW-OAQYLSRUSA-N 0 3 322.452 5.000 20 30 DKEDHN CC(C)Cc1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000560565683 332360259 /nfs/dbraw/zinc/36/02/59/332360259.db2.gz ZBVVKHAWUDAIMD-JOCHJYFZSA-N 0 3 320.480 5.410 20 30 DKEDHN CC(C)Cc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000560565690 332360256 /nfs/dbraw/zinc/36/02/56/332360256.db2.gz ZBVVKHAWUDAIMD-QFIPXVFZSA-N 0 3 320.480 5.410 20 30 DKEDHN CC(C)C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccs1 ZINC000561139587 332416308 /nfs/dbraw/zinc/41/63/08/332416308.db2.gz DXFPTKPCURMCDJ-RBUKOAKNSA-N 0 3 324.493 5.374 20 30 DKEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCCCC2)s1 ZINC000561355799 332441189 /nfs/dbraw/zinc/44/11/89/332441189.db2.gz MCUSTUBSRWTPSG-IBGZPJMESA-N 0 3 310.466 5.031 20 30 DKEDHN C[C@H](NCC(C)(C)CCC#N)c1cc(Cl)sc1Cl ZINC000562039988 332535641 /nfs/dbraw/zinc/53/56/41/332535641.db2.gz UPSFPIVFQWIZQY-VIFPVBQESA-N 0 3 305.274 5.035 20 30 DKEDHN CC(C)(C)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000563330072 333592322 /nfs/dbraw/zinc/59/23/22/333592322.db2.gz JQACLYQMAXVVNU-PMACEKPBSA-N 0 3 322.427 5.062 20 30 DKEDHN CC(C)(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000563330080 333592307 /nfs/dbraw/zinc/59/23/07/333592307.db2.gz JQACLYQMAXVVNU-VQTJNVASSA-N 0 3 322.427 5.062 20 30 DKEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](CC1CCC1)c1ccccc1)CC2 ZINC000564433754 331783928 /nfs/dbraw/zinc/78/39/28/331783928.db2.gz VYGYIXOAIDJVMT-FCHUYYIVSA-N 0 3 316.448 5.067 20 30 DKEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](CC1CCC1)c1ccccc1)CC2 ZINC000564433755 331783920 /nfs/dbraw/zinc/78/39/20/331783920.db2.gz VYGYIXOAIDJVMT-FGZHOGPDSA-N 0 3 316.448 5.067 20 30 DKEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](CC1CCC1)c1ccccc1)CC2 ZINC000564433759 331783790 /nfs/dbraw/zinc/78/37/90/331783790.db2.gz VYGYIXOAIDJVMT-YADHBBJMSA-N 0 3 316.448 5.067 20 30 DKEDHN C=CCC[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000565109638 341517480 /nfs/dbraw/zinc/51/74/80/341517480.db2.gz HTELNAUDAYRVGU-PMACEKPBSA-N 0 3 307.437 5.067 20 30 DKEDHN CC(C)(C)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000565437486 341527378 /nfs/dbraw/zinc/52/73/78/341527378.db2.gz IEHZIZNPMNXDAH-NRFANRHFSA-N 0 3 320.480 5.509 20 30 DKEDHN CC(C)(C)c1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000565437495 341527367 /nfs/dbraw/zinc/52/73/67/341527367.db2.gz IEHZIZNPMNXDAH-OAQYLSRUSA-N 0 3 320.480 5.509 20 30 DKEDHN CC(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000565568332 341531335 /nfs/dbraw/zinc/53/13/35/341531335.db2.gz BOBHVZBITFNWSL-PMACEKPBSA-N 0 3 324.855 5.186 20 30 DKEDHN CC(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000565568335 341531323 /nfs/dbraw/zinc/53/13/23/341531323.db2.gz BOBHVZBITFNWSL-UXHICEINSA-N 0 3 324.855 5.186 20 30 DKEDHN CC(C)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000565568337 341531373 /nfs/dbraw/zinc/53/13/73/341531373.db2.gz BOBHVZBITFNWSL-VQTJNVASSA-N 0 3 324.855 5.186 20 30 DKEDHN CC(C)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000565568338 341531307 /nfs/dbraw/zinc/53/13/07/341531307.db2.gz BOBHVZBITFNWSL-WOJBJXKFSA-N 0 3 324.855 5.186 20 30 DKEDHN Cc1cc(CN[C@H](C)c2ccc(F)c3ccccc32)ccc1C#N ZINC000567306779 341594418 /nfs/dbraw/zinc/59/44/18/341594418.db2.gz JYLHRYDGZUGBHW-OAHLLOKOSA-N 0 3 318.395 5.010 20 30 DKEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2s1 ZINC000568936761 341685957 /nfs/dbraw/zinc/68/59/57/341685957.db2.gz WRJYOHZFYRHISA-FZKQIMNGSA-N 0 3 318.445 5.111 20 30 DKEDHN CCSc1ccc([C@@H](C)N[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000569432989 332082433 /nfs/dbraw/zinc/08/24/33/332082433.db2.gz ZLIYYZKYDKRNCR-FOIQADDNSA-N 0 3 324.493 5.472 20 30 DKEDHN CCSc1ccc([C@H](C)N[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000569432996 332082403 /nfs/dbraw/zinc/08/24/03/332082403.db2.gz ZLIYYZKYDKRNCR-MGPUTAFESA-N 0 3 324.493 5.472 20 30 DKEDHN CCSc1ccc([C@@H](C)N[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000569432998 332082335 /nfs/dbraw/zinc/08/23/35/332082335.db2.gz ZLIYYZKYDKRNCR-QRWLVFNGSA-N 0 3 324.493 5.472 20 30 DKEDHN CCSc1ccc([C@H](C)N[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000569432999 332082407 /nfs/dbraw/zinc/08/24/07/332082407.db2.gz ZLIYYZKYDKRNCR-YWZLYKJASA-N 0 3 324.493 5.472 20 30 DKEDHN CCCc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000570521641 332767146 /nfs/dbraw/zinc/76/71/46/332767146.db2.gz YAHFJRQMZJTQPO-NRFANRHFSA-N 0 3 306.453 5.164 20 30 DKEDHN CCCc1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000570521642 332767188 /nfs/dbraw/zinc/76/71/88/332767188.db2.gz YAHFJRQMZJTQPO-OAQYLSRUSA-N 0 3 306.453 5.164 20 30 DKEDHN Cc1cc(C)c(CN[C@@H](CCCC#N)c2ccccc2)cc1C ZINC000570620407 332783119 /nfs/dbraw/zinc/78/31/19/332783119.db2.gz RKPAIKFDPDDVMT-NRFANRHFSA-N 0 3 306.453 5.137 20 30 DKEDHN Cc1cc(C)c(CN[C@H](CCCC#N)c2ccccc2)cc1C ZINC000570620408 332783018 /nfs/dbraw/zinc/78/30/18/332783018.db2.gz RKPAIKFDPDDVMT-OAQYLSRUSA-N 0 3 306.453 5.137 20 30 DKEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1Cl ZINC000573858322 341741482 /nfs/dbraw/zinc/74/14/82/341741482.db2.gz FTFZFPQPRCTOEM-DNVCBOLYSA-N 0 3 312.844 5.426 20 30 DKEDHN CC(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000574611234 341763799 /nfs/dbraw/zinc/76/37/99/341763799.db2.gz HGMWFEHPFHQUCA-PMACEKPBSA-N 0 3 324.855 5.186 20 30 DKEDHN CCC(CC)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccs1 ZINC000574946074 332858177 /nfs/dbraw/zinc/85/81/77/332858177.db2.gz OKRQOBKPQYWBSP-AZUAARDMSA-N 0 3 324.493 5.374 20 30 DKEDHN C[C@H](NCc1ccc(C2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000576069597 341824194 /nfs/dbraw/zinc/82/41/94/341824194.db2.gz UANZVMZYLSRFSA-INIZCTEOSA-N 0 3 304.437 5.067 20 30 DKEDHN CC(C)[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000576486429 341848867 /nfs/dbraw/zinc/84/88/67/341848867.db2.gz NVCCATHOAFVHEY-LEWJYISDSA-N 0 3 316.448 5.022 20 30 DKEDHN CC(C)[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000576486430 341848847 /nfs/dbraw/zinc/84/88/47/341848847.db2.gz NVCCATHOAFVHEY-NHCUHLMSSA-N 0 3 316.448 5.022 20 30 DKEDHN N#CCCC[C@H](NCc1cc2ccccc2s1)c1ccccc1 ZINC000577236864 341899570 /nfs/dbraw/zinc/89/95/70/341899570.db2.gz WBJZKFAMAOFGRH-IBGZPJMESA-N 0 3 320.461 5.426 20 30 DKEDHN N#CCCC[C@@H](NCc1cc2ccccc2s1)c1ccccc1 ZINC000577236865 341899595 /nfs/dbraw/zinc/89/95/95/341899595.db2.gz WBJZKFAMAOFGRH-LJQANCHMSA-N 0 3 320.461 5.426 20 30 DKEDHN CC[C@@H](NCc1ccc2sccc2c1)c1ccc(C#N)cc1 ZINC000580249295 333040765 /nfs/dbraw/zinc/04/07/65/333040765.db2.gz BJNXEGDAXKBPTD-GOSISDBHSA-N 0 3 306.434 5.014 20 30 DKEDHN CC[C@H](NCc1ccc2sccc2c1)c1ccc(C#N)cc1 ZINC000580249296 333040876 /nfs/dbraw/zinc/04/08/76/333040876.db2.gz BJNXEGDAXKBPTD-SFHVURJKSA-N 0 3 306.434 5.014 20 30 DKEDHN CC[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000582645794 337120118 /nfs/dbraw/zinc/12/01/18/337120118.db2.gz WRKKZRLZEBYXRE-PMACEKPBSA-N 0 3 304.437 5.022 20 30 DKEDHN CC[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000582645795 337120149 /nfs/dbraw/zinc/12/01/49/337120149.db2.gz WRKKZRLZEBYXRE-UXHICEINSA-N 0 3 304.437 5.022 20 30 DKEDHN CC[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000582645796 337120034 /nfs/dbraw/zinc/12/00/34/337120034.db2.gz WRKKZRLZEBYXRE-VQTJNVASSA-N 0 3 304.437 5.022 20 30 DKEDHN CC[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000582645797 337120120 /nfs/dbraw/zinc/12/01/20/337120120.db2.gz WRKKZRLZEBYXRE-WOJBJXKFSA-N 0 3 304.437 5.022 20 30 DKEDHN CC[C@H](N[C@@H](C)c1ccccc1OC(C)C)c1ccc(C#N)cc1 ZINC000583544867 335708491 /nfs/dbraw/zinc/70/84/91/335708491.db2.gz IVSSQWAUYCLOHS-JXFKEZNVSA-N 0 3 322.452 5.147 20 30 DKEDHN CC[C@@H](N[C@H](C)c1ccccc1OC(C)C)c1ccc(C#N)cc1 ZINC000583544869 335708396 /nfs/dbraw/zinc/70/83/96/335708396.db2.gz IVSSQWAUYCLOHS-OXQOHEQNSA-N 0 3 322.452 5.147 20 30 DKEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2o1 ZINC000584486579 337349774 /nfs/dbraw/zinc/34/97/74/337349774.db2.gz KXNZGIRZTKVOMQ-AUUYWEPGSA-N 0 3 316.404 5.033 20 30 DKEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2o1 ZINC000584486580 337349683 /nfs/dbraw/zinc/34/96/83/337349683.db2.gz KXNZGIRZTKVOMQ-IFXJQAMLSA-N 0 3 316.404 5.033 20 30 DKEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2o1 ZINC000584486581 337349831 /nfs/dbraw/zinc/34/98/31/337349831.db2.gz KXNZGIRZTKVOMQ-KUHUBIRLSA-N 0 3 316.404 5.033 20 30 DKEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2o1 ZINC000584486582 337349717 /nfs/dbraw/zinc/34/97/17/337349717.db2.gz KXNZGIRZTKVOMQ-LIRRHRJNSA-N 0 3 316.404 5.033 20 30 DKEDHN