smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](OC(=O)/C=C\c1scnc1C)C1CC1 ZINC000588521980 1119090493 /nfs/dbraw/zinc/09/04/93/1119090493.db2.gz ABWDGXZJDAVYAB-YXVBKTCISA-N 0 0 277.389 3.753 10 30 CHEERN N#CC1(COC(=O)/C=C\c2cccs2)CCCCC1 ZINC000588411619 1118591734 /nfs/dbraw/zinc/59/17/34/1118591734.db2.gz OSSGBVZCHGSHTP-SREVYHEPSA-N 0 0 275.373 3.779 10 30 CHEERN Cc1cc([N+](=O)[O-])ccc1/C=C1/COc2ccccc2C1=O ZINC000588450093 1118792383 /nfs/dbraw/zinc/79/23/83/1118792383.db2.gz REHZTGBARCEDLM-LCYFTJDESA-N 0 0 295.294 3.562 10 30 CHEERN C/C(=C/C(=O)OCC(C)(C)CC#N)c1ccccc1 ZINC000588467226 1118842051 /nfs/dbraw/zinc/84/20/51/1118842051.db2.gz GSONYRZYSBJARB-QBFSEMIESA-N 0 0 257.333 3.573 10 30 CHEERN CC(C)(CC#N)COC(=O)CC/C=C\c1ccccc1 ZINC000588467347 1118842808 /nfs/dbraw/zinc/84/28/08/1118842808.db2.gz HBQFMTQSHYILSL-POHAHGRESA-N 0 0 271.360 3.963 10 30 CHEERN Cc1cncc(C(=O)/C=C\c2cccc3cnccc23)c1 ZINC000588476550 1118899859 /nfs/dbraw/zinc/89/98/59/1118899859.db2.gz LBROYLNEVZBHSU-WAYWQWQTSA-N 0 0 274.323 3.834 10 30 CHEERN O=C1c2ccc(O)cc2C/C1=C\c1cccc2cnccc12 ZINC000588535049 1119135908 /nfs/dbraw/zinc/13/59/08/1119135908.db2.gz DRYHHAVVEVBVQO-OVCLIPMQSA-N 0 0 287.318 3.763 10 30 CHEERN O=C(/C=C\c1cocn1)c1ccc(SC(F)F)cc1 ZINC000588579722 1119381506 /nfs/dbraw/zinc/38/15/06/1119381506.db2.gz VUZBTHKNZKELOR-UTCJRWHESA-N 0 0 281.283 3.885 10 30 CHEERN Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)CCC2 ZINC000329365816 1119398682 /nfs/dbraw/zinc/39/86/82/1119398682.db2.gz GQDMAOJFOFTRAM-OIISXLGYSA-N 0 0 297.402 3.568 10 30 CHEERN C/C(=C/C(=O)OCC(C)(C)CCC#N)c1ccccc1 ZINC000588616792 1119616591 /nfs/dbraw/zinc/61/65/91/1119616591.db2.gz DJUXUWZTTAONJU-OWBHPGMISA-N 0 0 271.360 3.963 10 30 CHEERN C#CC[C@H](OC(=O)Cc1cc(C)ccc1C)c1ccccn1 ZINC000105549818 1123055891 /nfs/dbraw/zinc/05/58/91/1123055891.db2.gz FIJFOVLGAFQQBO-SFHVURJKSA-N 0 0 293.366 3.549 10 30 CHEERN C[C@@H]1CCCC[C@@H]1OCc1noc(C2(C#N)CCCC2)n1 ZINC000329448334 1123611582 /nfs/dbraw/zinc/61/15/82/1123611582.db2.gz CABDDSJFGIWFRK-OLZOCXBDSA-N 0 0 289.379 3.500 10 30 CHEERN C=CCCC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191207395 1125323304 /nfs/dbraw/zinc/32/33/04/1125323304.db2.gz YTEJWJRUVOVOQA-LBPRGKRZSA-N 0 0 279.330 3.637 10 30 CHEERN N#Cc1cnc2c(cccc2C(F)(F)F)c1Cl ZINC000095937928 185034910 /nfs/dbraw/zinc/03/49/10/185034910.db2.gz AECGTVCPQODZIE-UHFFFAOYSA-N 0 0 256.614 3.779 10 30 CHEERN CC[C@@H](Cc1ccc(C)cc1)Nc1ccc(C#N)cn1 ZINC000301476944 529539809 /nfs/dbraw/zinc/53/98/09/529539809.db2.gz TWDMYGDAMYRKNY-INIZCTEOSA-N 0 0 265.360 3.695 10 30 CHEERN COc1ccc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000084871913 178930619 /nfs/dbraw/zinc/93/06/19/178930619.db2.gz AHRLDZHURASTFL-UHFFFAOYSA-N 0 0 262.312 3.570 10 30 CHEERN Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000100034059 185702457 /nfs/dbraw/zinc/70/24/57/185702457.db2.gz ZQDHICQISZCAFG-OQLLNIDSSA-N 0 0 285.259 3.562 10 30 CHEERN Cc1ccc(-n2nc(C(C)C)c(C#N)c2Cl)cc1 ZINC000104263313 185948208 /nfs/dbraw/zinc/94/82/08/185948208.db2.gz OFXWWTMVMNDULL-UHFFFAOYSA-N 0 0 259.740 3.829 10 30 CHEERN COc1cccc(OCc2cccc(Cl)c2)c1C#N ZINC000090562667 180004581 /nfs/dbraw/zinc/00/45/81/180004581.db2.gz VNEOKXRPFWMBDP-UHFFFAOYSA-N 0 0 273.719 3.799 10 30 CHEERN N#CC1(c2ccccc2)CCN(c2ccccc2)CC1 ZINC000039378932 134908083 /nfs/dbraw/zinc/90/80/83/134908083.db2.gz PGGAFAVVDVUHDB-UHFFFAOYSA-N 0 0 262.356 3.748 10 30 CHEERN O=C(/C=C/c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 ZINC000005428963 170098721 /nfs/dbraw/zinc/09/87/21/170098721.db2.gz BWHGGLUTDCVLQU-ZZXKWVIFSA-N 0 0 277.663 3.737 10 30 CHEERN O=[N+]([O-])c1ccccc1/N=C/c1c[nH]c2ccccc12 ZINC000005669183 170126020 /nfs/dbraw/zinc/12/60/20/170126020.db2.gz QPXUOZMOQHPJRH-LICLKQGHSA-N 0 0 265.272 3.827 10 30 CHEERN CC(N=Nc1ccccn1)c1ccc(OC(F)F)cc1 ZINC000005693217 170129960 /nfs/dbraw/zinc/12/99/60/170129960.db2.gz LEGCXQSOMUEEJW-VCHYOVAHSA-N 0 0 277.274 3.519 10 30 CHEERN O=C(O/N=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005714721 170132445 /nfs/dbraw/zinc/13/24/45/170132445.db2.gz VXFLAYBZZDRQCR-RQZCQDPDSA-N 0 0 277.682 3.670 10 30 CHEERN Cc1ccccc1C=[NH+][N-]c1nc2ccccc2o1 ZINC000005756122 170137602 /nfs/dbraw/zinc/13/76/02/170137602.db2.gz ZFUHFIBSXAPJSU-MHWRWJLKSA-N 0 0 251.289 3.582 10 30 CHEERN O=C(/C=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000006473545 170204067 /nfs/dbraw/zinc/20/40/67/170204067.db2.gz PIBPXTZXAQNSQP-AATRIKPKSA-N 0 0 277.663 3.737 10 30 CHEERN FC(F)(F)c1ccc(CN=Nc2ccccn2)cc1 ZINC000007993933 170312935 /nfs/dbraw/zinc/31/29/35/170312935.db2.gz UFEWYIANQGZRAB-GIJQJNRQSA-N 0 0 265.238 3.546 10 30 CHEERN Cc1cc2c(cc1O)C=C1C=CC(=O)C(C)(C)[C@@H]1CC2 ZINC000012153305 170471430 /nfs/dbraw/zinc/47/14/30/170471430.db2.gz CGDLYSDMNSOBAM-OAHLLOKOSA-N 0 0 268.356 3.812 10 30 biogenic CHEERN Cc1ccc(NC2=CC(=O)CCC2)cc1Br ZINC000016311823 170693179 /nfs/dbraw/zinc/69/31/79/170693179.db2.gz YWYQSWOVXLMVOX-UHFFFAOYSA-N 0 0 280.165 3.806 10 30 CHEERN C/C(=N\O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000019430073 170797013 /nfs/dbraw/zinc/79/70/13/170797013.db2.gz GYUOVECAWMEERW-VCHYOVAHSA-N 0 0 288.734 3.791 10 30 CHEERN CC(C)Oc1ccc(-c2csc(CC#N)n2)cc1 ZINC000019507916 170819014 /nfs/dbraw/zinc/81/90/14/170819014.db2.gz HTYNJJPXOORJSB-UHFFFAOYSA-N 0 0 258.346 3.663 10 30 CHEERN CC/C(=N\O)c1ccccc1OCc1cccs1 ZINC000019809139 170877901 /nfs/dbraw/zinc/87/79/01/170877901.db2.gz KECVOZJSZQBJQL-FYWRMAATSA-N 0 0 261.346 3.915 10 30 CHEERN COc1cc(C#N)ccc1Oc1c(N)cccc1Cl ZINC000019845721 170893891 /nfs/dbraw/zinc/89/38/91/170893891.db2.gz VPWMFOVIRRILBF-UHFFFAOYSA-N 0 0 274.707 3.595 10 30 CHEERN C[C@@H](Nc1cccc(C#N)c1)c1nc2ccccc2n1C ZINC000019922299 170929227 /nfs/dbraw/zinc/92/92/27/170929227.db2.gz GESIZZRWJIZVLD-GFCCVEGCSA-N 0 0 276.343 3.618 10 30 CHEERN N#CCOc1ccc(NCc2cccc(Cl)c2)cc1 ZINC000020126544 171011159 /nfs/dbraw/zinc/01/11/59/171011159.db2.gz FKWZDLAJLDRXRY-UHFFFAOYSA-N 0 0 272.735 3.854 10 30 CHEERN CCOc1ccc([C@@H](C#N)NC2CCCCCC2)cc1 ZINC000020175180 171041725 /nfs/dbraw/zinc/04/17/25/171041725.db2.gz LXXOIIYGLHEVKU-QGZVFWFLSA-N 0 0 272.392 3.962 10 30 CHEERN N#C[C@H](NCc1ccccc1)c1c(F)cccc1Cl ZINC000020175266 171042000 /nfs/dbraw/zinc/04/20/00/171042000.db2.gz MNOXLXBWQCDCDH-AWEZNQCLSA-N 0 0 274.726 3.834 10 30 CHEERN N#C[C@H](NC1CCCCC1)c1cccc(Br)c1 ZINC000020176163 171042377 /nfs/dbraw/zinc/04/23/77/171042377.db2.gz AGCNTUSKLXLRMO-AWEZNQCLSA-N 0 0 293.208 3.936 10 30 CHEERN N#C[C@@H](NC1CCCC1)c1cccc(Br)c1 ZINC000020176161 171042463 /nfs/dbraw/zinc/04/24/63/171042463.db2.gz JGWIGCDWMHZLAL-CYBMUJFWSA-N 0 0 279.181 3.546 10 30 CHEERN N#Cc1cccc(Nc2nc3ccccc3s2)c1 ZINC000020303636 171140155 /nfs/dbraw/zinc/14/01/55/171140155.db2.gz XWIRWSGIJIZPAE-UHFFFAOYSA-N 0 0 251.314 3.912 10 30 CHEERN CCCN[C@@H](C#N)c1ccc(SC(F)(F)F)cc1 ZINC000020380215 171171744 /nfs/dbraw/zinc/17/17/44/171171744.db2.gz NLRCWXRGRYLDKP-NSHDSACASA-N 0 0 274.311 3.863 10 30 CHEERN CCN(Cc1ccc(C#N)cc1)c1ccccc1C ZINC000020547891 171245358 /nfs/dbraw/zinc/24/53/58/171245358.db2.gz JBDJIWPSFUOHAI-UHFFFAOYSA-N 0 0 250.345 3.893 10 30 CHEERN C=CCn1c(SCCC(C)C)nnc1C(C)(C)C ZINC000020839326 171275435 /nfs/dbraw/zinc/27/54/35/171275435.db2.gz VLQJVPMXZIUREW-UHFFFAOYSA-N 0 0 267.442 3.900 10 30 CHEERN C/C(=N\O)c1cccc(OCc2cccc(C)c2)c1 ZINC000021056113 171296008 /nfs/dbraw/zinc/29/60/08/171296008.db2.gz VIFSULZUDDVNFY-GHRIWEEISA-N 0 0 255.317 3.772 10 30 CHEERN CC(C)(C#N)c1ccc(NC(=O)c2cccnc2Cl)cc1 ZINC000025837645 171466631 /nfs/dbraw/zinc/46/66/31/171466631.db2.gz DXPUMMCOUHEROI-UHFFFAOYSA-N 0 0 299.761 3.788 10 30 CHEERN C[C@@H](Nc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000035019465 171937722 /nfs/dbraw/zinc/93/77/22/171937722.db2.gz YCBRMDQNGPLLHA-GFCCVEGCSA-N 0 0 281.315 3.834 10 30 CHEERN CC1(C)CSC(Nc2cccc3ccccc32)=N1 ZINC000035082525 171967944 /nfs/dbraw/zinc/96/79/44/171967944.db2.gz YDXUVYYCUHVVRW-UHFFFAOYSA-N 0 0 256.374 3.942 10 30 CHEERN Cc1nc(N)c(C#N)c(-c2ccc(C(C)C)cc2)c1C ZINC000035281906 172100001 /nfs/dbraw/zinc/10/00/01/172100001.db2.gz HNZBFKAOEILUPT-UHFFFAOYSA-N 0 0 265.360 3.943 10 30 CHEERN N#C[C@@H]1CCCC[C@H]1Sc1ccccc1[N+](=O)[O-] ZINC000035286694 172104224 /nfs/dbraw/zinc/10/42/24/172104224.db2.gz WEHYNFHBZZKIDC-CMPLNLGQSA-N 0 0 262.334 3.769 10 30 CHEERN CC[C@@H]1CSC(Nc2cccc(SC)c2)=N1 ZINC000035294325 172105949 /nfs/dbraw/zinc/10/59/49/172105949.db2.gz LFJXHVOEKSDEEV-SECBINFHSA-N 0 0 252.408 3.511 10 30 CHEERN CC[C@H]1CSC(Nc2ccc(F)cc2Cl)=N1 ZINC000035295252 172106757 /nfs/dbraw/zinc/10/67/57/172106757.db2.gz QGRPLAKTJZZOII-QMMMGPOBSA-N 0 0 258.749 3.582 10 30 CHEERN CC[C@H]1CSC(Nc2cc(Cl)ccc2C)=N1 ZINC000035295173 172106759 /nfs/dbraw/zinc/10/67/59/172106759.db2.gz CMIIZBNWGMJGGQ-JTQLQIEISA-N 0 0 254.786 3.751 10 30 CHEERN COCCS[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N ZINC000035321930 172125102 /nfs/dbraw/zinc/12/51/02/172125102.db2.gz UOFXYHLYFJTAPH-OAGGEKHMSA-N 0 0 275.417 3.842 10 30 CHEERN C[C@@H](O)c1ccc(N(CCC#N)c2ccccc2)c(F)c1 ZINC000035631407 172313832 /nfs/dbraw/zinc/31/38/32/172313832.db2.gz NKPGXPTXNFPMHP-CYBMUJFWSA-N 0 0 284.334 3.931 10 30 CHEERN C[C@@H](O)c1cc(F)ccc1Oc1ccccc1C#N ZINC000035631993 172314478 /nfs/dbraw/zinc/31/44/78/172314478.db2.gz SQIOZZKENDNIPT-SNVBAGLBSA-N 0 0 257.264 3.543 10 30 CHEERN Cc1cc(C)c(C#N)c(Oc2ccc(Cl)cc2N)n1 ZINC000035672517 172343868 /nfs/dbraw/zinc/34/38/68/172343868.db2.gz FIMXQZBPNABNSZ-UHFFFAOYSA-N 0 0 273.723 3.598 10 30 CHEERN CC[C@@H](C/C(N)=N/O)Sc1ccc(C(C)(C)C)cc1 ZINC000036681434 172651793 /nfs/dbraw/zinc/65/17/93/172651793.db2.gz MOWBEUCKNFKWCU-LBPRGKRZSA-N 0 0 280.437 3.991 10 30 CHEERN Cc1ccc(N[C@H](C#N)c2cc(F)ccc2F)cc1 ZINC000037935669 173876080 /nfs/dbraw/zinc/87/60/80/173876080.db2.gz VZAGEXCYZMEXPG-OAHLLOKOSA-N 0 0 258.271 3.950 10 30 CHEERN N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(O)cc1 ZINC000037937298 173877708 /nfs/dbraw/zinc/87/77/08/173877708.db2.gz GARWCHNMXKJIKK-CQSZACIVSA-N 0 0 258.708 3.722 10 30 CHEERN COc1cccc([C@H](C#N)Nc2ccccc2C)c1 ZINC000037938002 173878346 /nfs/dbraw/zinc/87/83/46/173878346.db2.gz CRYREYAZQGHGIY-INIZCTEOSA-N 0 0 252.317 3.680 10 30 CHEERN N#C[C@H](c1c(F)cccc1Cl)N1CCCCCC1 ZINC000038086218 174096848 /nfs/dbraw/zinc/09/68/48/174096848.db2.gz XQQNZBHQZTYMBX-CYBMUJFWSA-N 0 0 266.747 3.920 10 30 CHEERN CCOc1ccccc1[C@H](C#N)N1CCCCCC1 ZINC000038086213 174096922 /nfs/dbraw/zinc/09/69/22/174096922.db2.gz LMVWFNNUVLJXQT-HNNXBMFYSA-N 0 0 258.365 3.526 10 30 CHEERN C[C@H](C#N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000044809501 175257384 /nfs/dbraw/zinc/25/73/84/175257384.db2.gz ZQWOHSDWUKDDOP-RXMQYKEDSA-N 0 0 277.538 3.745 10 30 CHEERN C[C@@H](C#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000044814409 175257971 /nfs/dbraw/zinc/25/79/71/175257971.db2.gz UBZGGCIAUANMOG-YFKPBYRVSA-N 0 0 277.538 3.745 10 30 CHEERN C[C@@H]1CCC[C@@H](SCc2cc(C#CCO)cs2)C1 ZINC000054694760 175563102 /nfs/dbraw/zinc/56/31/02/175563102.db2.gz SWJVOHQBKZVAFJ-TZMCWYRMSA-N 0 0 280.458 3.904 10 30 CHEERN CCC[C@H](C)C(=O)Nc1cc(Cl)ccc1C#N ZINC000070268756 175885784 /nfs/dbraw/zinc/88/57/84/175885784.db2.gz XGSNJTISQMSIPT-VIFPVBQESA-N 0 0 250.729 3.586 10 30 CHEERN C=CCn1ccnc1-c1ccc(F)c(Cl)c1F ZINC000071763651 176261765 /nfs/dbraw/zinc/26/17/65/176261765.db2.gz RXJOCVZIJIUUKW-UHFFFAOYSA-N 0 0 254.667 3.668 10 30 CHEERN CCCC#C[C@H]1C[C@H]1COCc1ccc(OC)cc1 ZINC000575150597 335073075 /nfs/dbraw/zinc/07/30/75/335073075.db2.gz PLRMJMUUTCNQMO-HOTGVXAUSA-N 0 0 258.361 3.651 10 30 CHEERN O=C(C[C@H]1CCCCNC1=O)NC1CCC(F)(F)CC1 ZINC000329572881 227612644 /nfs/dbraw/zinc/61/26/44/227612644.db2.gz VASZSZWJJACKTQ-SNVBAGLBSA-N 0 0 288.338 3.668 10 30 CHEERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CCc2ccccc21 ZINC000330028282 228021497 /nfs/dbraw/zinc/02/14/97/228021497.db2.gz OFYRHZZQZUVHEO-HNNXBMFYSA-N 0 0 296.370 3.928 10 30 CHEERN Cc1noc(-c2ccccc2)c1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000330055619 228028459 /nfs/dbraw/zinc/02/84/59/228028459.db2.gz UREAZQGPGDSYSB-ZIAGYGMSSA-N 0 0 297.358 3.680 10 30 CHEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc2ccoc2c1 ZINC000330109550 228042142 /nfs/dbraw/zinc/04/21/42/228042142.db2.gz PIAGNKKZFLHBCV-GWCFXTLKSA-N 0 0 259.305 3.836 10 30 CHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000330226314 228072303 /nfs/dbraw/zinc/07/23/03/228072303.db2.gz UKMLADMAEIZQRF-GOEBONIOSA-N 0 0 283.375 3.972 10 30 CHEERN N#C[C@]1(c2nc([C@H]3CCCCS3)no2)CC12CCCC2 ZINC000333827028 228216115 /nfs/dbraw/zinc/21/61/15/228216115.db2.gz KUSNWMAENWOSPC-ABAIWWIYSA-N 0 0 289.404 3.753 10 30 CHEERN N#C[C@]1(c2nc(C3CCCCC3)no2)CC12CCCC2 ZINC000333889658 228218931 /nfs/dbraw/zinc/21/89/31/228218931.db2.gz YKTWMVJGXZWTBW-INIZCTEOSA-N 0 0 271.364 3.843 10 30 CHEERN N#C[C@]1(c2nc([C@@H]3CCCCS3)no2)CC12CCCC2 ZINC000333827030 260065689 /nfs/dbraw/zinc/06/56/89/260065689.db2.gz KUSNWMAENWOSPC-NHYWBVRUSA-N 0 0 289.404 3.753 10 30 CHEERN N#CCCCCn1c2ccccc2nc1C(F)(F)F ZINC000102701726 261271099 /nfs/dbraw/zinc/27/10/99/261271099.db2.gz ALIAHUJDILZTKF-UHFFFAOYSA-N 0 0 267.254 3.749 10 30 CHEERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1sccc1C#N ZINC000103054610 261313232 /nfs/dbraw/zinc/31/32/32/261313232.db2.gz MIKXWKSSYCDCIV-OLZOCXBDSA-N 0 0 276.405 3.564 10 30 CHEERN C[C@H](OC(=O)C1(C#N)CCCC1)c1ccc(F)c(F)c1 ZINC000164281070 261346010 /nfs/dbraw/zinc/34/60/10/261346010.db2.gz OMAIJRNKTQCSIO-JTQLQIEISA-N 0 0 279.286 3.653 10 30 CHEERN Cc1nc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cs1 ZINC000189779166 262175939 /nfs/dbraw/zinc/17/59/39/262175939.db2.gz HHLMOTLTXRTBBJ-AWEZNQCLSA-N 0 0 277.437 3.918 10 30 CHEERN C=CC[C@@H](C)NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160986685 262305827 /nfs/dbraw/zinc/30/58/27/262305827.db2.gz SZXCNBQQJYYAKF-TZMCWYRMSA-N 0 0 288.391 3.553 10 30 CHEERN Cc1ccccc1[C@H](C)Nc1ccc(C#N)c(C)n1 ZINC000311810566 262341890 /nfs/dbraw/zinc/34/18/90/262341890.db2.gz GKYLNMRKTQIGJS-ZDUSSCGKSA-N 0 0 251.333 3.743 10 30 CHEERN CC[C@H]1C[C@H]1Nc1ccc(Br)cc1C#N ZINC000228555973 262342137 /nfs/dbraw/zinc/34/21/37/262342137.db2.gz XRVSGDLZVLBMFQ-QPUJVOFHSA-N 0 0 265.154 3.531 10 30 CHEERN CCC(CC)[C@@H]1C[C@]1(C#N)C(=O)OCc1ccccc1 ZINC000021991115 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C=C[C@H](CC)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC000048522818 567090757 /nfs/dbraw/zinc/09/07/57/567090757.db2.gz XFBVQWXBNBNNDJ-GFCCVEGCSA-N 0 0 292.334 3.805 10 30 CHEERN O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1 ZINC000039084983 567196750 /nfs/dbraw/zinc/19/67/50/567196750.db2.gz QIROPQQWKBMABC-ZPUQHVIOSA-N 0 0 294.350 3.869 10 30 biogenic,in-vitro CHEERN Nc1ccc(/C=C/C(=O)c2cccs2)c(Cl)c1 ZINC000058826025 567217219 /nfs/dbraw/zinc/21/72/19/567217219.db2.gz UWFSWYJWWUDQFT-GQCTYLIASA-N 0 0 263.749 3.880 10 30 CHEERN CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CO1 ZINC000034068547 567886993 /nfs/dbraw/zinc/88/69/93/567886993.db2.gz ZQYWPQIIGBBDNY-IAGOWNOFSA-N 0 0 270.328 3.604 10 30 in-vitro CHEERN OCCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000095686659 567909578 /nfs/dbraw/zinc/90/95/78/567909578.db2.gz PNDPCEQFBCCOPU-UHFFFAOYSA-N 0 0 292.141 3.822 10 30 CHEERN Fc1cc(Br)ccc1-c1cc(CS)no1 ZINC000725251802 567910172 /nfs/dbraw/zinc/91/01/72/567910172.db2.gz AFBRZQFKIORPGQ-UHFFFAOYSA-N 0 0 288.141 3.673 10 30 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COc1ccc2nc(-c3ccccc3)cc(C#N)c2c1 ZINC000091692471 180228416 /nfs/dbraw/zinc/22/84/16/180228416.db2.gz CKQDYVYKQDOFOE-UHFFFAOYSA-N 0 0 260.296 3.782 10 30 CHEERN N#Cc1ccc(Oc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000062793976 127376474 /nfs/dbraw/zinc/37/64/74/127376474.db2.gz IBIGLTKSNKJTJZ-UHFFFAOYSA-N 0 0 273.675 3.733 10 30 CHEERN N#Cc1cc([N+](=O)[O-])ccc1Nc1ccsc1Cl ZINC000302510404 261353255 /nfs/dbraw/zinc/35/32/55/261353255.db2.gz SFPGFWZILPAPMU-UHFFFAOYSA-N 0 0 279.708 3.925 10 30 CHEERN C[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)C(C)(C)C ZINC000108943370 261389723 /nfs/dbraw/zinc/38/97/23/261389723.db2.gz NJSMTSLORMGRQQ-OCCSQVGLSA-N 0 0 264.413 3.647 10 30 CHEERN Fc1ccc([C@@H]2O[C@@H]2CCCO[C@H]2CCCCO2)cc1 ZINC000255999785 190000802 /nfs/dbraw/zinc/00/08/02/190000802.db2.gz RPEQZLPYASAXSF-PMPSAXMXSA-N 0 0 280.339 3.589 10 30 CHEERN S[C@@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000095078971 184936333 /nfs/dbraw/zinc/93/63/33/184936333.db2.gz PHOMULVILGYNCH-JOYOIKCWSA-N 0 0 277.216 3.871 10 30 CHEERN C[C@@H](CC1CC1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000112735187 533503971 /nfs/dbraw/zinc/50/39/71/533503971.db2.gz CLHJQOJLMSTJJF-LBPRGKRZSA-N 0 0 285.391 3.798 10 30 CHEERN CC(=NNc1ccc(C)c(Cl)c1)c1cccnc1 ZINC000005163485 170072646 /nfs/dbraw/zinc/07/26/46/170072646.db2.gz XWPPSDGZJLTNDL-GZTJUZNOSA-N 0 0 259.740 3.880 10 30 CHEERN C=C[C@](OCC)(c1ccccc1)C1(O)CCCCC1 ZINC000005335130 170087030 /nfs/dbraw/zinc/08/70/30/170087030.db2.gz JUULJGGXBQFGPL-KRWDZBQOSA-N 0 0 260.377 3.800 10 30 CHEERN Cc1ccccc1/C=N/c1ccc(C)c([N+](=O)[O-])c1 ZINC000005420354 170097250 /nfs/dbraw/zinc/09/72/50/170097250.db2.gz MKDZAVQHNXBSSF-MHWRWJLKSA-N 0 0 254.289 3.962 10 30 CHEERN CCC(C)N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000005614171 170119901 /nfs/dbraw/zinc/11/99/01/170119901.db2.gz LBKCDHYQXQTEBN-DHDCSXOGSA-N 0 0 290.348 3.916 10 30 CHEERN C[C@H]1CS/C(=N\[C@@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)O1 ZINC000005723435 170133367 /nfs/dbraw/zinc/13/33/67/170133367.db2.gz RKVKWHNRFHTLQU-ARBUKVGUSA-N 0 0 253.411 3.709 10 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C#C/C=C1\CC[C@@H](c2cccc3ccccc32)C(=O)O1 ZINC000013589946 170566673 /nfs/dbraw/zinc/56/66/73/170566673.db2.gz NHOIHEBFAKOZIE-ZZZKQGFOSA-N 0 0 262.308 3.778 10 30 CHEERN N#C[C@H](Cc1cccc(Br)c1)c1cccnc1 ZINC000015042655 170655135 /nfs/dbraw/zinc/65/51/35/170655135.db2.gz SNQNKRKVGXMCDL-ZDUSSCGKSA-N 0 0 287.160 3.694 10 30 CHEERN C/C(=N\O)c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000019809039 170877742 /nfs/dbraw/zinc/87/77/42/170877742.db2.gz GEVCSAHWMPHRKP-LDADJPATSA-N 0 0 274.364 3.794 10 30 CHEERN CCc1ccc(C(=O)Nc2ccccc2/C(C)=N/O)cc1 ZINC000019809101 170877922 /nfs/dbraw/zinc/87/79/22/170877922.db2.gz VOHXSUWPGJQQHL-XDHOZWIPSA-N 0 0 282.343 3.700 10 30 CHEERN CC(=O)c1cc(F)ccc1Oc1ccc(CC#N)cc1 ZINC000019871449 170902083 /nfs/dbraw/zinc/90/20/83/170902083.db2.gz ZMGJHQUOIKAHIH-UHFFFAOYSA-N 0 0 269.275 3.887 10 30 CHEERN CC[C@H](Nc1cccc(C#N)c1)c1ccc(O)cc1 ZINC000019922179 170929000 /nfs/dbraw/zinc/92/90/00/170929000.db2.gz ZTLAOLSUIUIUFO-INIZCTEOSA-N 0 0 252.317 3.827 10 30 CHEERN C[C@@H](Nc1ccccc1C#N)c1nc2ccccc2n1C ZINC000019921752 170929203 /nfs/dbraw/zinc/92/92/03/170929203.db2.gz FGQYMBWHOBDCED-GFCCVEGCSA-N 0 0 276.343 3.618 10 30 CHEERN Cc1ccc([C@H](C)Nc2cccc(C#N)c2)c(O)c1 ZINC000020090151 170989835 /nfs/dbraw/zinc/98/98/35/170989835.db2.gz PAVPGHYMYABQRU-LBPRGKRZSA-N 0 0 252.317 3.745 10 30 CHEERN Cc1cc(Oc2ccc(N)cc2C#N)ccc1Cl ZINC000020352467 171156645 /nfs/dbraw/zinc/15/66/45/171156645.db2.gz JVNQMUFDPTWYPC-UHFFFAOYSA-N 0 0 258.708 3.895 10 30 CHEERN C=CCn1c(SCc2ccccc2)nnc1C(F)(F)F ZINC000020839671 171275663 /nfs/dbraw/zinc/27/56/63/171275663.db2.gz QORDHOLGSCUDBR-UHFFFAOYSA-N 0 0 299.321 3.775 10 30 CHEERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ncccc1C#N ZINC000021813525 171330920 /nfs/dbraw/zinc/33/09/20/171330920.db2.gz VLVRKLAFEDTNNS-QEJZJMRPSA-N 0 0 258.365 3.793 10 30 CHEERN Brc1ccccc1C=NNc1ccccc1 ZINC000021988183 171345682 /nfs/dbraw/zinc/34/56/82/171345682.db2.gz AGUARNBWSQREFB-XNTDXEJSSA-N 0 0 275.149 3.895 10 30 CHEERN 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Cc1ccc(N[C@@H](C#N)c2cc(F)ccc2F)cc1 ZINC000037935668 173876007 /nfs/dbraw/zinc/87/60/07/173876007.db2.gz VZAGEXCYZMEXPG-HNNXBMFYSA-N 0 0 258.271 3.950 10 30 CHEERN COc1cccc(N[C@H](C#N)c2ccccc2F)c1 ZINC000037937820 173878184 /nfs/dbraw/zinc/87/81/84/173878184.db2.gz DIFBRXOSPXTKKP-OAHLLOKOSA-N 0 0 256.280 3.511 10 30 CHEERN N#C[C@@]1(NC2CCCCCC2)CCOc2ccccc21 ZINC000037970279 173920070 /nfs/dbraw/zinc/92/00/70/173920070.db2.gz WLIXOHFRMKVREO-KRWDZBQOSA-N 0 0 270.376 3.500 10 30 CHEERN CCC[C@@H]1CC[C@H](C#N)[C@H](n2cc(Br)cn2)C1 ZINC000038054278 174065794 /nfs/dbraw/zinc/06/57/94/174065794.db2.gz CLXOGEDKSUSIBN-NQBHXWOUSA-N 0 0 296.212 3.927 10 30 CHEERN COc1ccc2c(C#N)nc(C#N)c(-c3ccccc3)c2c1 ZINC000038328855 174139486 /nfs/dbraw/zinc/13/94/86/174139486.db2.gz OEZWXLKHKUHGLT-UHFFFAOYSA-N 0 0 285.306 3.654 10 30 CHEERN CCc1cccc2c(C#N)cc(C(=O)c3ccccc3)n21 ZINC000038314553 174139657 /nfs/dbraw/zinc/13/96/57/174139657.db2.gz LRSZPGIWSRYNSP-UHFFFAOYSA-N 0 0 274.323 3.604 10 30 CHEERN 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CCOC(=O)C(C)=C(Nc1ccccc1)C(F)(F)F ZINC000100480262 567913292 /nfs/dbraw/zinc/91/32/92/567913292.db2.gz UMYPDPFVEBBHKV-MQAXGYDLSA-N 0 0 273.254 3.521 10 30 CHEERN COc1ccc(/C=C/Br)cc1OCCCC#N ZINC000725267203 567923873 /nfs/dbraw/zinc/92/38/73/567923873.db2.gz ZLOQQHFAJUKYEX-VOTSOKGWSA-N 0 0 296.164 3.743 10 30 CHEERN Cn1cc(C(F)F)c(-c2ccc(C3CC3)c(C#N)c2)n1 ZINC000725270496 567924679 /nfs/dbraw/zinc/92/46/79/567924679.db2.gz PDNZLURDGFDMCR-UHFFFAOYSA-N 0 0 273.286 3.774 10 30 CHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1coc(C2CCCCC2)n1 ZINC000328761101 1118530470 /nfs/dbraw/zinc/53/04/70/1118530470.db2.gz XZOBHDSXAHWDJI-STQMWFEESA-N 0 0 287.363 3.719 10 30 CHEERN COc1ccc(O)cc1C(=O)/C=C\c1cc(F)cc(F)c1 ZINC000588409776 1118581377 /nfs/dbraw/zinc/58/13/77/1118581377.db2.gz ZLVJEZXKJWJZMY-RQOWECAXSA-N 0 0 290.265 3.575 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1ccc(O)cc1[O-] ZINC000588423264 1118662169 /nfs/dbraw/zinc/66/21/69/1118662169.db2.gz XDJJDDPWOQSBIW-DAXSKMNVSA-N 0 0 291.306 3.542 10 30 CHEERN Cc1nc([C@@H](C)NC(=O)c2scnc2C2CC2)cs1 ZINC000328879983 1118753870 /nfs/dbraw/zinc/75/38/70/1118753870.db2.gz KLNSUJXZGZWPTF-SSDOTTSWSA-N 0 0 293.417 3.851 10 30 CHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000328981914 1118796391 /nfs/dbraw/zinc/79/63/91/1118796391.db2.gz RXUSABRNYJSXKB-HRCADAONSA-N 0 0 268.360 3.829 10 30 CHEERN CC(C)(C)[C@@H](C#N)OC(=O)/C=C\SCc1ccco1 ZINC000588470157 1118885832 /nfs/dbraw/zinc/88/58/32/1118885832.db2.gz WZPYUFNVYCPUEE-XYLWRLHESA-N 0 0 279.361 3.508 10 30 CHEERN COc1c(C)cc(/C=C\C(=O)c2cncc(C)c2)cc1C ZINC000588476137 1118898392 /nfs/dbraw/zinc/89/83/92/1118898392.db2.gz ACRYXDOBTDDREY-WAYWQWQTSA-N 0 0 281.355 3.912 10 30 CHEERN C=C(C)C[C@H](C)C(=O)N=c1ccccn1Cc1ccccc1 ZINC000588480204 1118910476 /nfs/dbraw/zinc/91/04/76/1118910476.db2.gz RFZABTUPEKEKMW-INIZCTEOSA-N 0 0 294.398 3.566 10 30 CHEERN Cc1ccc(CON=Cc2ccccc2C)c(C)n1 ZINC000588510195 1119044776 /nfs/dbraw/zinc/04/47/76/1119044776.db2.gz DFQUNWRHIOMXOG-UHFFFAOYSA-N 0 0 254.333 3.558 10 30 CHEERN CC(F)(F)c1cccc(N=Cc2ccc(O)c(O)c2O)c1 ZINC000588534371 1119131062 /nfs/dbraw/zinc/13/10/62/1119131062.db2.gz DSUKPOAGNUFNJZ-UHFFFAOYSA-N 0 0 293.269 3.666 10 30 CHEERN CC[C@@H](CC#N)OC(=O)/C(C)=C\c1cccc(Cl)c1 ZINC000588557956 1119258491 /nfs/dbraw/zinc/25/84/91/1119258491.db2.gz QUMMDKVYFMZUMF-FPAJZGIOSA-N 0 0 277.751 3.979 10 30 CHEERN CC[C@H](CC#N)OC(=O)/C=C(/C)c1ccccc1Cl ZINC000588559604 1119260600 /nfs/dbraw/zinc/26/06/00/1119260600.db2.gz LWKXGNJLBOXIDQ-NLYDNYMLSA-N 0 0 277.751 3.979 10 30 CHEERN C[C@H](NC(=O)N[C@@H]1CCCCC12CCCC2)[C@@H]1CCCO1 ZINC000329634248 1119463503 /nfs/dbraw/zinc/46/35/03/1119463503.db2.gz SZNOPJAIEWSNBE-SOUVJXGZSA-N 0 0 294.439 3.561 10 30 CHEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc2ccsc21 ZINC000332900527 1121481387 /nfs/dbraw/zinc/48/13/87/1121481387.db2.gz NZCXDKFUJRKCSL-VXGBXAGGSA-N 0 0 285.372 3.715 10 30 CHEERN C[C@]1(C(=O)[C@@H](C#N)c2ccccn2)CCCc2ccccc21 ZINC000102118763 1122882826 /nfs/dbraw/zinc/88/28/26/1122882826.db2.gz GPRYRLDUFAXSNY-KXBFYZLASA-N 0 0 290.366 3.552 10 30 CHEERN CC1(C)CCC[C@@H]1NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328650978 1123107783 /nfs/dbraw/zinc/10/77/83/1123107783.db2.gz JLIVCQKEACWAAS-RYUDHWBXSA-N 0 0 266.385 3.811 10 30 CHEERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000328645052 1123107990 /nfs/dbraw/zinc/10/79/90/1123107990.db2.gz GFRIZDKYJCJVCO-SYAUCNOPSA-N 0 0 288.391 3.694 10 30 CHEERN CC[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1ccncc1 ZINC000328670266 1123108062 /nfs/dbraw/zinc/10/80/62/1123108062.db2.gz MOFHROHTSCTZJN-KBPBESRZSA-N 0 0 289.379 3.778 10 30 CHEERN CCCC1(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCC1 ZINC000328715000 1123108850 /nfs/dbraw/zinc/10/88/50/1123108850.db2.gz CRCSDXMKWBPDCI-LBPRGKRZSA-N 0 0 278.396 3.955 10 30 CHEERN CC[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1nccs1 ZINC000328679480 1123108958 /nfs/dbraw/zinc/10/89/58/1123108958.db2.gz UCNRIQSXNOVNCR-MNOVXSKESA-N 0 0 295.408 3.840 10 30 CHEERN O=C(CCc1nc(CC2=CCCC2)no1)NC1CCCC1 ZINC000329594115 1123628286 /nfs/dbraw/zinc/62/82/86/1123628286.db2.gz UVISTIHVHWKJGX-UHFFFAOYSA-N 0 0 289.379 3.554 10 30 CHEERN COc1ccc(/C=C/C(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000005356029 230369399 /nfs/dbraw/zinc/36/93/99/230369399.db2.gz JMZNMHYCTFGHBJ-OMDQHUAHSA-N 0 0 294.350 3.915 10 30 CHEERN N#Cc1cnc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1 ZINC000097949907 230388198 /nfs/dbraw/zinc/38/81/98/230388198.db2.gz FLNOHIGOYBQFCG-UHFFFAOYSA-N 0 0 290.113 3.626 10 30 CHEERN N#Cc1nccc2c(Br)cc(Cl)cc12 ZINC000082766700 178281391 /nfs/dbraw/zinc/28/13/91/178281391.db2.gz IDCMUTDZSYDHBB-UHFFFAOYSA-N 0 0 267.513 3.522 10 30 CHEERN CC[C@H](NC(=O)C[C@@H]1CCCCNC1=O)c1nccs1 ZINC000329265705 529579488 /nfs/dbraw/zinc/57/94/88/529579488.db2.gz FJQHPFHHVRLAOM-QWRGUYRKSA-N 0 0 295.408 3.697 10 30 CHEERN CCC[C@@H]1CC[C@@H](C#N)[C@H](SCCCOC)C1 ZINC000104432967 186000503 /nfs/dbraw/zinc/00/05/03/186000503.db2.gz WEESPUYLTKPYAD-HZSPNIEDSA-N 0 0 255.427 3.865 10 30 CHEERN CCCCCCCCn1nnnc1-c1ccc(C)c(N)c1 ZINC000104815715 186025916 /nfs/dbraw/zinc/02/59/16/186025916.db2.gz NECZWFBLXINWGT-UHFFFAOYSA-N 0 0 287.411 3.591 10 30 CHEERN N#Cc1cc(F)ccc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000111026788 186346093 /nfs/dbraw/zinc/34/60/93/186346093.db2.gz YDSUMSWFCGIYKY-GDBMZVCRSA-N 0 0 252.292 3.665 10 30 CHEERN O=C(O/N=C/c1cc(Cl)nc(Cl)c1)c1ccccc1 ZINC000000163207 169559687 /nfs/dbraw/zinc/55/96/87/169559687.db2.gz YFCFHXCAFCBTLM-LZYBPNLTSA-N 0 0 295.125 3.579 10 30 CHEERN N#C[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000096029210 256744745 /nfs/dbraw/zinc/74/47/45/256744745.db2.gz YFDGWIPSMMFFAK-GFCCVEGCSA-N 0 0 250.139 3.856 10 30 CHEERN Cc1ccc(C2=C(C(=O)c3ccccc3)N=NC2=O)cc1 ZINC000205593823 130749242 /nfs/dbraw/zinc/74/92/42/130749242.db2.gz UXCDPQXAYWYVMY-UHFFFAOYSA-N 0 0 276.295 3.581 10 30 CHEERN N#Cc1c(Cl)nc(Cl)c(C#N)c1-c1ccccc1 ZINC000002039957 169770344 /nfs/dbraw/zinc/77/03/44/169770344.db2.gz OVZITGHGWBXFEA-UHFFFAOYSA-N 0 0 274.110 3.799 10 30 in-vitro CHEERN CC(=NNc1ccccc1C(F)(F)F)c1ccncc1 ZINC000004763052 170013516 /nfs/dbraw/zinc/01/35/16/170013516.db2.gz OPNIXMTZRMSCLF-GRSHGNNSSA-N 0 0 279.265 3.937 10 30 CHEERN N#Cc1ccc(C=NNc2cccc(Cl)c2)cc1 ZINC000004922664 170041533 /nfs/dbraw/zinc/04/15/33/170041533.db2.gz NGKXSQJDSNEGEM-LICLKQGHSA-N 0 0 255.708 3.658 10 30 CHEERN CCOc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005967635 170163911 /nfs/dbraw/zinc/16/39/11/170163911.db2.gz PCJMPLHPLRGZTI-SXGWCWSVSA-N 0 0 284.286 3.841 10 30 CHEERN Cc1sc2ncnc(Nc3ccccc3C#N)c2c1C ZINC000006266029 170186780 /nfs/dbraw/zinc/18/67/80/170186780.db2.gz XYZGRQUYBHYMMT-UHFFFAOYSA-N 0 0 280.356 3.923 10 30 CHEERN COc1ccccc1C=NNc1ccc(Cl)cc1 ZINC000006584197 170215567 /nfs/dbraw/zinc/21/55/67/170215567.db2.gz MXFGSMJXCWDALU-MHWRWJLKSA-N 0 0 260.724 3.795 10 30 CHEERN C=CCc1c(Cl)nc(C)nc1Nc1ccccc1 ZINC000006614876 170219450 /nfs/dbraw/zinc/21/94/50/170219450.db2.gz CQDJRTLCGHAKJG-UHFFFAOYSA-N 0 0 259.740 3.911 10 30 CHEERN CC(C)c1nc(C#N)c(N=NCc2ccccc2Cl)o1 ZINC000006633914 170220261 /nfs/dbraw/zinc/22/02/61/170220261.db2.gz YKUUYCMDGVWVIA-CAOOACKPSA-N 0 0 288.738 3.769 10 30 CHEERN CCOc1ccc(C=NNc2ccc(F)cc2)cc1 ZINC000006674987 170225321 /nfs/dbraw/zinc/22/53/21/170225321.db2.gz VGZBOTLFYWMPRZ-GZTJUZNOSA-N 0 0 258.296 3.670 10 30 CHEERN Cc1ccc(C)c(CO/N=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000007263123 170274287 /nfs/dbraw/zinc/27/42/87/170274287.db2.gz PHOIEFVWZBHPDR-LICLKQGHSA-N 0 0 284.315 3.762 10 30 CHEERN CC(C)COc1ccccc1C(=O)Nc1ccccc1C#N ZINC000008073680 170317173 /nfs/dbraw/zinc/31/71/73/170317173.db2.gz AQSUJEDZLPCAEY-UHFFFAOYSA-N 0 0 294.354 3.845 10 30 CHEERN N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1 ZINC000019804424 170873877 /nfs/dbraw/zinc/87/38/77/170873877.db2.gz KUQADNNDCPONSH-UHFFFAOYSA-N 0 0 263.222 3.716 10 30 CHEERN CC[C@H](C)SCCCC(=O)Nc1ccccc1C#N ZINC000019870180 170901430 /nfs/dbraw/zinc/90/14/30/170901430.db2.gz JGTUDRRFZSPJMA-LBPRGKRZSA-N 0 0 276.405 3.809 10 30 CHEERN CCN[C@@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000020379685 171171803 /nfs/dbraw/zinc/17/18/03/171171803.db2.gz JAIKHGFLYJQMHB-INIZCTEOSA-N 0 0 252.317 3.653 10 30 CHEERN CC(C)n1cc(C=NN=c2[nH]c3ccccc3s2)cn1 ZINC000020827424 171274253 /nfs/dbraw/zinc/27/42/53/171274253.db2.gz JEXLUFYHQFBGFG-VIZOYTHASA-N 0 0 285.376 3.520 10 30 CHEERN CC(C)Oc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000020977501 171283028 /nfs/dbraw/zinc/28/30/28/171283028.db2.gz FTPLFQHYIOFAEB-UHFFFAOYSA-N 0 0 294.354 3.792 10 30 CHEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C#N)cn1 ZINC000021818902 171333578 /nfs/dbraw/zinc/33/35/78/171333578.db2.gz MNYDWNRFAAXIDQ-SNPRPXQTSA-N 0 0 258.365 3.793 10 30 CHEERN C[C@](O)(C#Cc1ccccc1)c1ccc(Cl)cc1 ZINC000021988321 171345601 /nfs/dbraw/zinc/34/56/01/171345601.db2.gz GSNVLHKMDXKKJC-INIZCTEOSA-N 0 0 256.732 3.599 10 30 CHEERN N#Cc1ccc2c(c1)C[C@@H](c1ccc(Br)o1)O2 ZINC000022003050 171348178 /nfs/dbraw/zinc/34/81/78/171348178.db2.gz NHNBECXTHWDMQN-LBPRGKRZSA-N 0 0 290.116 3.590 10 30 CHEERN CC(C)[C@H](NC(=O)c1cccc(C#N)c1)c1cccs1 ZINC000026802647 171499684 /nfs/dbraw/zinc/49/96/84/171499684.db2.gz PPAOPEAAYHXCGD-HNNXBMFYSA-N 0 0 284.384 3.747 10 30 CHEERN O=[N+]([O-])c1ccc(N=NC=CCc2ccccc2)cc1 ZINC000034486325 171841680 /nfs/dbraw/zinc/84/16/80/171841680.db2.gz INFBWRBRXAPTDK-JAFAMXRVSA-N 0 0 267.288 3.706 10 30 CHEERN N#Cc1cc(NCCc2ccccc2)ccc1Cl ZINC000035224502 172068832 /nfs/dbraw/zinc/06/88/32/172068832.db2.gz WKJPBCLZHDDKRQ-UHFFFAOYSA-N 0 0 256.736 3.866 10 30 CHEERN Cc1c(C)n(-c2ccc(C)c(Cl)c2)c(N)c1C#N ZINC000036938796 172816545 /nfs/dbraw/zinc/81/65/45/172816545.db2.gz CQRFUAOLJSRPQB-UHFFFAOYSA-N 0 0 259.740 3.510 10 30 CHEERN Cc1c(F)cc(C#N)cc1NCCc1ccccc1 ZINC000037089175 172945903 /nfs/dbraw/zinc/94/59/03/172945903.db2.gz LWOFXHDXYSEDNO-UHFFFAOYSA-N 0 0 254.308 3.660 10 30 CHEERN COc1ccc(C)cc1[C@H](C#N)C(=O)CC(C)(C)C ZINC000037345838 173143294 /nfs/dbraw/zinc/14/32/94/173143294.db2.gz ZYJQTPUPBDYUBG-ZDUSSCGKSA-N 0 0 259.349 3.616 10 30 CHEERN N#C[C@@H](C(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037344571 173143346 /nfs/dbraw/zinc/14/33/46/173143346.db2.gz AKDDSNPANDIPOA-CQSZACIVSA-N 0 0 273.694 3.969 10 30 CHEERN CCN(CC)[C@H](C#N)c1cc(Cl)cc(Cl)c1 ZINC000037425169 173199597 /nfs/dbraw/zinc/19/95/97/173199597.db2.gz LBHHUGIUENZIGS-GFCCVEGCSA-N 0 0 257.164 3.900 10 30 CHEERN COc1cccc(N[C@H](C#N)c2ccc(C)cc2)c1 ZINC000037937764 173877696 /nfs/dbraw/zinc/87/76/96/173877696.db2.gz CCNLIYAZRLITPV-MRXNPFEDSA-N 0 0 252.317 3.680 10 30 CHEERN COc1ccc2cc([C@@H](C#N)NCC(F)(F)F)ccc2c1 ZINC000037970928 173921735 /nfs/dbraw/zinc/92/17/35/173921735.db2.gz TYYAJKDNESKSCP-CQSZACIVSA-N 0 0 294.276 3.565 10 30 CHEERN CC[C@@H](C)NC1(C#N)CCC(c2ccccc2)CC1 ZINC000038064224 174075556 /nfs/dbraw/zinc/07/55/56/174075556.db2.gz AQATWLRPDHVVGU-ODIFPOPNSA-N 0 0 256.393 3.995 10 30 CHEERN N#C[C@@]1(N2CCCCCC2)CCCc2ccccc21 ZINC000038086254 174097995 /nfs/dbraw/zinc/09/79/95/174097995.db2.gz NAQZWUAUTQZGGT-KRWDZBQOSA-N 0 0 254.377 3.618 10 30 CHEERN Cc1ccc([C@H](C)Nc2ccc(C#N)cc2N)s1 ZINC000042599610 174815752 /nfs/dbraw/zinc/81/57/52/174815752.db2.gz XIOSCUDLUGDCDJ-JTQLQIEISA-N 0 0 257.362 3.684 10 30 CHEERN N#Cc1sc(-c2cc(Br)ccc2F)cc1N ZINC000044273285 175158751 /nfs/dbraw/zinc/15/87/51/175158751.db2.gz FDOGAXHBXYYBFX-UHFFFAOYSA-N 0 0 297.152 3.771 10 30 CHEERN N#Cc1sc(-c2ccc(Cl)cc2F)cc1N ZINC000044273325 175158861 /nfs/dbraw/zinc/15/88/61/175158861.db2.gz AFLUFBRMYREANE-UHFFFAOYSA-N 0 0 252.701 3.661 10 30 CHEERN CCN(C(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000044765081 175248908 /nfs/dbraw/zinc/24/89/08/175248908.db2.gz YNJFGGDHEQKCHE-UHFFFAOYSA-N 0 0 256.349 3.514 10 30 CHEERN COc1ccc(C(F)(F)F)cc1-c1ccc(C#N)c(O)c1 ZINC000065341685 175712004 /nfs/dbraw/zinc/71/20/04/175712004.db2.gz OESRBZDKVJEMLM-UHFFFAOYSA-N 0 0 293.244 3.958 10 30 CHEERN C[C@@H](Oc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000076853377 177121305 /nfs/dbraw/zinc/12/13/05/177121305.db2.gz BRPSQNKKORZKKH-LLVKDONJSA-N 0 0 268.272 3.606 10 30 CHEERN CC(C)(C)c1ccc(C2(C#N)CCC(=O)CC2)cc1 ZINC000077610621 177286685 /nfs/dbraw/zinc/28/66/85/177286685.db2.gz KSTCOQLKCNEFMF-UHFFFAOYSA-N 0 0 255.361 3.889 10 30 CHEERN 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170184761 /nfs/dbraw/zinc/18/47/61/170184761.db2.gz PVOLAQDODXGSIR-WOJGMQOQSA-N 0 0 279.299 3.611 10 30 CHEERN CC(=O)Nc1ccc(C=NNc2cccc(Cl)c2)cc1 ZINC000006675071 170225194 /nfs/dbraw/zinc/22/51/94/170225194.db2.gz NQEIJDINTFFOND-LICLKQGHSA-N 0 0 287.750 3.744 10 30 CHEERN N#Cc1ccccc1CSc1ccc([N+](=O)[O-])cc1 ZINC000007848018 170305112 /nfs/dbraw/zinc/30/51/12/170305112.db2.gz OIDKCRQQARBBHM-UHFFFAOYSA-N 0 0 270.313 3.759 10 30 CHEERN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000008162803 170322110 /nfs/dbraw/zinc/32/21/10/170322110.db2.gz UHRCWCXUPWGZIQ-AWEZNQCLSA-N 0 0 294.354 3.581 10 30 CHEERN CCCCOc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000008564351 170340556 /nfs/dbraw/zinc/34/05/56/170340556.db2.gz WTDRBJLRVZFRSQ-UHFFFAOYSA-N 0 0 294.354 3.989 10 30 CHEERN N#CCCN(C(=O)c1c(F)cccc1F)c1ccccc1 ZINC000019503325 170815720 /nfs/dbraw/zinc/81/57/20/170815720.db2.gz QGYXCMHOLTUJQT-UHFFFAOYSA-N 0 0 286.281 3.525 10 30 CHEERN CCOc1ccccc1CNc1ccccc1C#N ZINC000019921354 170928843 /nfs/dbraw/zinc/92/88/43/170928843.db2.gz ITKIKMGBYJPIIV-UHFFFAOYSA-N 0 0 252.317 3.569 10 30 CHEERN CCOc1cccc([C@H](C#N)NC2CCCCCC2)c1 ZINC000020175032 171041835 /nfs/dbraw/zinc/04/18/35/171041835.db2.gz IQHYETCOFLKESA-KRWDZBQOSA-N 0 0 272.392 3.962 10 30 CHEERN N#Cc1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000020750710 171271801 /nfs/dbraw/zinc/27/18/01/171271801.db2.gz SYNGGEXPANYQDB-QILLFSRXSA-N 0 0 273.339 3.780 10 30 CHEERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(C#N)cn1 ZINC000021818908 171333761 /nfs/dbraw/zinc/33/37/61/171333761.db2.gz MNYDWNRFAAXIDQ-CFVMTHIKSA-N 0 0 258.365 3.793 10 30 CHEERN CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CO1 ZINC000022058664 171351505 /nfs/dbraw/zinc/35/15/05/171351505.db2.gz ZQYWPQIIGBBDNY-IRXDYDNUSA-N 0 0 270.328 3.604 10 30 CHEERN Cc1nc(C)c(C(=O)/C=C\c2cccs2)cc1C#N ZINC000033373920 171787039 /nfs/dbraw/zinc/78/70/39/171787039.db2.gz OHWPKKPGKFOKDZ-WAYWQWQTSA-N 0 0 268.341 3.528 10 30 CHEERN N#Cc1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035082519 171967665 /nfs/dbraw/zinc/96/76/65/171967665.db2.gz ULSDQSAKCBZLNK-UHFFFAOYSA-N 0 0 270.313 3.759 10 30 CHEERN Cc1cc(C)c(C#N)c(N[C@@H](C)c2cccs2)n1 ZINC000035134406 172000567 /nfs/dbraw/zinc/00/05/67/172000567.db2.gz NQSMOYPCJGLQFD-NSHDSACASA-N 0 0 257.362 3.805 10 30 CHEERN C[C@H](CNc1cccc(F)c1C#N)c1ccccc1 ZINC000035134961 172001619 /nfs/dbraw/zinc/00/16/19/172001619.db2.gz CBSKVJCSYHMCQB-GFCCVEGCSA-N 0 0 254.308 3.913 10 30 CHEERN CC[C@@H]1CSC(Nc2cc(Cl)ccc2F)=N1 ZINC000035295457 172107277 /nfs/dbraw/zinc/10/72/77/172107277.db2.gz SVMKFEORBHYVTL-MRVPVSSYSA-N 0 0 258.749 3.582 10 30 CHEERN COc1cc(C#N)ccc1Oc1ccc([C@@H](C)O)cc1F ZINC000035632083 172314455 /nfs/dbraw/zinc/31/44/55/172314455.db2.gz WLFBOYXJSNCMPG-SNVBAGLBSA-N 0 0 287.290 3.552 10 30 CHEERN N#Cc1ccc(NC2CCSCC2)cc1Cl ZINC000035652046 172328693 /nfs/dbraw/zinc/32/86/93/172328693.db2.gz QYWRVBAKDKWKNV-UHFFFAOYSA-N 0 0 252.770 3.519 10 30 CHEERN N#Cc1ccc(Oc2ccc(Br)cc2)c(N)c1 ZINC000035674849 172345184 /nfs/dbraw/zinc/34/51/84/172345184.db2.gz DVOULNHPANURNV-UHFFFAOYSA-N 0 0 289.132 3.695 10 30 CHEERN N#CC1(S(=O)(=O)c2ccc(Cl)cc2)CCCCCC1 ZINC000035676671 172347341 /nfs/dbraw/zinc/34/73/41/172347341.db2.gz VEIXLVYUBFTTFI-UHFFFAOYSA-N 0 0 297.807 3.730 10 30 CHEERN C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@@H]1CCCO1 ZINC000035735017 172386614 /nfs/dbraw/zinc/38/66/14/172386614.db2.gz YXDUAXIZICSTKL-RNCFNFMXSA-N 0 0 284.281 3.556 10 30 CHEERN N#Cc1c(F)cccc1Nc1c(N)cccc1Cl ZINC000036157228 172478558 /nfs/dbraw/zinc/47/85/58/172478558.db2.gz CIJPERAJKBFBMP-UHFFFAOYSA-N 0 0 261.687 3.677 10 30 CHEERN CC(C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000036931086 172811362 /nfs/dbraw/zinc/81/13/62/172811362.db2.gz HFLNTWUTYFYNAX-SNVBAGLBSA-N 0 0 256.132 3.826 10 30 CHEERN N#Cc1ccc(F)c(CSc2ccc(N)cc2)c1 ZINC000037182514 173014621 /nfs/dbraw/zinc/01/46/21/173014621.db2.gz AABSCRAFISDISD-UHFFFAOYSA-N 0 0 258.321 3.572 10 30 CHEERN Cc1ccc(SCc2ccccc2C#N)c(N)c1 ZINC000037192743 173022383 /nfs/dbraw/zinc/02/23/83/173022383.db2.gz JRCDKKZFHJDVSQ-UHFFFAOYSA-N 0 0 254.358 3.741 10 30 CHEERN N#C[C@@H](C(=O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000037345246 173143112 /nfs/dbraw/zinc/14/31/12/173143112.db2.gz SRPKIVPTOHLYRA-CQSZACIVSA-N 0 0 273.694 3.969 10 30 CHEERN N#C[C@@H](C(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000037343908 173143391 /nfs/dbraw/zinc/14/33/91/173143391.db2.gz GLSDQBLWLNGICB-LLVKDONJSA-N 0 0 273.694 3.969 10 30 CHEERN CCC[C@H](C)C(=O)[C@H](C#N)c1cc(C)ccc1OC ZINC000037345829 173143483 /nfs/dbraw/zinc/14/34/83/173143483.db2.gz CJQZRNAQNHCLAY-GXTWGEPZSA-N 0 0 259.349 3.616 10 30 CHEERN CCC[C@@H](C)C(=O)[C@H](C#N)c1cc(C)ccc1OC ZINC000037345827 173143485 /nfs/dbraw/zinc/14/34/85/173143485.db2.gz CJQZRNAQNHCLAY-TZMCWYRMSA-N 0 0 259.349 3.616 10 30 CHEERN N#C[C@@H](NC1CCCC1)c1ccc(Br)cc1F ZINC000037968559 173915977 /nfs/dbraw/zinc/91/59/77/173915977.db2.gz FELQLDAKEBOTCH-CYBMUJFWSA-N 0 0 297.171 3.685 10 30 CHEERN CC(=O)Nc1ccc([C@@H](C#N)NC2CCCCCC2)cc1 ZINC000037970113 173919061 /nfs/dbraw/zinc/91/90/61/173919061.db2.gz VMYBIRDHJSWSMM-QGZVFWFLSA-N 0 0 285.391 3.522 10 30 CHEERN CC[C@@H](C)N[C@@H](C#N)c1ccc(C(F)(F)F)cc1 ZINC000038064594 174075519 /nfs/dbraw/zinc/07/55/19/174075519.db2.gz HYIKOFKBVINNNB-SKDRFNHKSA-N 0 0 256.271 3.658 10 30 CHEERN Cc1cccc(Oc2ccc(C#N)cc2)c1[N+](=O)[O-] ZINC000038081838 174091113 /nfs/dbraw/zinc/09/11/13/174091113.db2.gz GAKNVLPQPCMCRB-UHFFFAOYSA-N 0 0 254.245 3.567 10 30 CHEERN O=C(Oc1ccccc1)N1C=CC(=O)C[C@H]1c1ccccc1 ZINC000038295683 174138851 /nfs/dbraw/zinc/13/88/51/174138851.db2.gz DWAGSDOFLIDBFX-KRWDZBQOSA-N 0 0 293.322 3.715 10 30 CHEERN C#CCn1c2ccccc2nc1COc1cccc(C)c1 ZINC000040233988 174211418 /nfs/dbraw/zinc/21/14/18/174211418.db2.gz SIQBCEGZSJCXKA-UHFFFAOYSA-N 0 0 276.339 3.557 10 30 CHEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2ccccc2)c1=O ZINC000040311222 174231101 /nfs/dbraw/zinc/23/11/01/174231101.db2.gz HBSSPEVVPKWRRE-UHFFFAOYSA-N 0 0 292.382 3.959 10 30 CHEERN N#Cc1cc2c(nc1Nc1ccc(Cl)cc1)CCC2 ZINC000042245266 174664632 /nfs/dbraw/zinc/66/46/32/174664632.db2.gz UMIHPYHGXCVMDW-UHFFFAOYSA-N 0 0 269.735 3.839 10 30 CHEERN CCCCCCC[S@](=O)c1ccccc1OC(C)=O ZINC000043394256 175034831 /nfs/dbraw/zinc/03/48/31/175034831.db2.gz QZSZKXSUVKTXKP-LJQANCHMSA-N 0 0 282.405 3.690 10 30 CHEERN Cc1cc(Br)ccc1-c1cc(N)c(C#N)s1 ZINC000044273464 175158733 /nfs/dbraw/zinc/15/87/33/175158733.db2.gz SZPWHCPBOMSPJM-UHFFFAOYSA-N 0 0 293.189 3.940 10 30 CHEERN SCCCCc1cc(Br)cs1 ZINC000071572849 176198867 /nfs/dbraw/zinc/19/88/67/176198867.db2.gz IYYVWFBPCRCXMQ-UHFFFAOYSA-N 0 0 251.214 3.763 10 30 CHEERN Cc1cnc(CCNc2cc(Cl)ccc2C#N)s1 ZINC000301452934 227543622 /nfs/dbraw/zinc/54/36/22/227543622.db2.gz XZJAMDQJEVKJCK-UHFFFAOYSA-N 0 0 277.780 3.631 10 30 CHEERN Cc1ccc([C@H]2C[C@H](C)CCN2c2ccc(C#N)cn2)o1 ZINC000301462715 227546832 /nfs/dbraw/zinc/54/68/32/227546832.db2.gz VGERNUCQBQPZSB-IUODEOHRSA-N 0 0 281.359 3.832 10 30 CHEERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CC[C@@H]2CCC[C@@H]21 ZINC000330274281 228088858 /nfs/dbraw/zinc/08/88/58/228088858.db2.gz JVQNKFKYBHLOHL-WFASDCNBSA-N 0 0 299.374 3.641 10 30 CHEERN N#C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000333617825 228207098 /nfs/dbraw/zinc/20/70/98/228207098.db2.gz XYKSRNLIGBCIDL-TVFCKZIOSA-N 0 0 296.414 3.769 10 30 CHEERN CCS[C@@H]1CC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000078586748 260168398 /nfs/dbraw/zinc/16/83/98/260168398.db2.gz RYLHGWJKLSJAAI-NWDGAFQWSA-N 0 0 291.376 3.553 10 30 CHEERN N#Cc1ccc(NCc2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000040444359 260255890 /nfs/dbraw/zinc/25/58/90/260255890.db2.gz VBDSMRULEWSLSU-UHFFFAOYSA-N 0 0 274.327 3.560 10 30 CHEERN CCCn1ccc(CNc2ccc(CC#N)cc2)c1 ZINC000091011349 260264537 /nfs/dbraw/zinc/26/45/37/260264537.db2.gz AWXFXJBSOYAEAP-UHFFFAOYSA-N 0 0 253.349 3.576 10 30 CHEERN C[C@@H]1[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)C1(F)F ZINC000408282163 260746401 /nfs/dbraw/zinc/74/64/01/260746401.db2.gz ZABIQLVNVWNAMX-AKUZOMFGSA-N 0 0 298.377 3.502 10 30 CHEERN Cc1ccc([C@H](C)NC(=O)Nc2cccc(C#N)c2C)o1 ZINC000178583045 261399318 /nfs/dbraw/zinc/39/93/18/261399318.db2.gz GIQDEAJMQQKXQL-LBPRGKRZSA-N 0 0 283.331 3.651 10 30 CHEERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCCCC#N)cc1 ZINC000172580354 261505141 /nfs/dbraw/zinc/50/51/41/261505141.db2.gz GUUHJDXKBCQCMG-SJORKVTESA-N 0 0 284.403 3.724 10 30 CHEERN CCc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)sc1C ZINC000116808395 261996122 /nfs/dbraw/zinc/99/61/22/261996122.db2.gz KPCCDORISMWIBD-ZBEGNZNMSA-N 0 0 290.432 3.821 10 30 CHEERN C=C[C@](C)(CC)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000188525354 262309137 /nfs/dbraw/zinc/30/91/37/262309137.db2.gz BAYGKASLHZTXGA-UKRRQHHQSA-N 0 0 299.336 3.879 10 30 CHEERN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCS1 ZINC000124649454 262558552 /nfs/dbraw/zinc/55/85/52/262558552.db2.gz KRKZJSLUYXCLJM-SECBINFHSA-N 0 0 286.322 3.519 10 30 CHEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000246271069 262674327 /nfs/dbraw/zinc/67/43/27/262674327.db2.gz QQYVGNQGTBWRFF-LOWVWBTDSA-N 0 0 289.404 3.611 10 30 CHEERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328777115 263861192 /nfs/dbraw/zinc/86/11/92/263861192.db2.gz LIQDFBRAVRVBSF-REWJHTLYSA-N 0 0 278.396 3.668 10 30 CHEERN C#CCCCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000192159498 264561328 /nfs/dbraw/zinc/56/13/28/264561328.db2.gz YXTMBDGZZBXWLF-CZUORRHYSA-N 0 0 255.361 3.545 10 30 CHEERN C=CCCCCCSCc1nnc(C2CC2)n1C ZINC000192543980 264571718 /nfs/dbraw/zinc/57/17/18/264571718.db2.gz PRKHPCWDZQGOCX-UHFFFAOYSA-N 0 0 265.426 3.672 10 30 CHEERN N#Cc1ccc(NC[C@H]2C[C@]23CCCc2ccccc23)nc1 ZINC000301671599 265984407 /nfs/dbraw/zinc/98/44/07/265984407.db2.gz ZDLOXHCLWNGYGX-VQIMIIECSA-N 0 0 289.382 3.659 10 30 CHEERN O/N=C/c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000253574709 328115752 /nfs/dbraw/zinc/11/57/52/328115752.db2.gz SZFLMNZVUULJTH-CAOOACKPSA-N 0 0 279.698 3.866 10 30 CHEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)C(C)(C)C ZINC000112460912 328439460 /nfs/dbraw/zinc/43/94/60/328439460.db2.gz KYMFKWLKZDVNIS-CQSZACIVSA-N 0 0 299.418 3.690 10 30 CHEERN N#CC1(C#N)[C@H]2CC[C@H](C2)C1(C(F)(F)F)C(F)(F)F ZINC000002560279 326797829 /nfs/dbraw/zinc/79/78/29/326797829.db2.gz MUIBMWREADMFQF-NKWVEPMBSA-N 0 0 282.187 3.561 10 30 CHEERN C[C@@H]1CC[C@@H](NC(=O)C2(C#N)CCCC2)c2ccccc21 ZINC000124897937 327388683 /nfs/dbraw/zinc/38/86/83/327388683.db2.gz LWHGRGSSADSYFX-CZUORRHYSA-N 0 0 282.387 3.825 10 30 CHEERN Cc1cc(NCc2cccc(Cl)c2)c(C#N)c(C)n1 ZINC000168880614 327487659 /nfs/dbraw/zinc/48/76/59/327487659.db2.gz JDWOFMAMMSOZEV-UHFFFAOYSA-N 0 0 271.751 3.836 10 30 CHEERN Cc1ccc(C#N)c(N[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000160321427 327605363 /nfs/dbraw/zinc/60/53/63/327605363.db2.gz IZLKFQLQRNVHHI-SNVBAGLBSA-N 0 0 273.286 3.713 10 30 CHEERN CCCCCCCCCC(=O)N1CCCC[C@H](CO)C1 ZINC000377390996 329013717 /nfs/dbraw/zinc/01/37/17/329013717.db2.gz KWWAINIWAWQCJK-INIZCTEOSA-N 0 0 283.456 3.748 10 30 CHEERN C=CCC(CC=C)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177091614 329182929 /nfs/dbraw/zinc/18/29/29/329182929.db2.gz KFJXMNBQAYUMEI-AWEZNQCLSA-N 0 0 290.432 3.618 10 30 CHEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000181401207 329232496 /nfs/dbraw/zinc/23/24/96/329232496.db2.gz MDEIHSMCTWSNPC-ZIAGYGMSSA-N 0 0 276.380 3.871 10 30 CHEERN C[C@H]1C[C@H](C(=O)NCc2cccc(C#N)c2)CC(C)(C)C1 ZINC000182930403 329246102 /nfs/dbraw/zinc/24/61/02/329246102.db2.gz AMKPZKPTNGUPLC-BBRMVZONSA-N 0 0 284.403 3.637 10 30 CHEERN CCS[C@@H]1CC[C@@H](Nc2ccc(F)cc2C#N)C1 ZINC000230922658 329372456 /nfs/dbraw/zinc/37/24/56/329372456.db2.gz LTYQOOVBFXPEGB-CHWSQXEVSA-N 0 0 264.369 3.783 10 30 CHEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000135082927 329663755 /nfs/dbraw/zinc/66/37/55/329663755.db2.gz ZDTCOZAEZSHRND-BBRMVZONSA-N 0 0 292.448 3.760 10 30 CHEERN C=CCCCCC[C@H](C)[NH2+]CCC(C)(C)C(=O)[O-] ZINC000263058587 330041317 /nfs/dbraw/zinc/04/13/17/330041317.db2.gz MBSKWADKFDFGMI-ZDUSSCGKSA-N 0 0 255.402 3.602 10 30 CHEERN C=CCCCCC[C@H](C)[NH2+]C[C@@H](CC(C)C)C(=O)[O-] ZINC000263076448 330042382 /nfs/dbraw/zinc/04/23/82/330042382.db2.gz 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C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000185973638 333152683 /nfs/dbraw/zinc/15/26/83/333152683.db2.gz HGZGOOGEMXDBBD-WBMJQRKESA-N 0 0 275.367 3.922 10 30 CHEERN CCS[C@@H]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000230922022 333322712 /nfs/dbraw/zinc/32/27/12/333322712.db2.gz QKHCOMKDZLWWDF-WDEREUQCSA-N 0 0 282.359 3.923 10 30 CHEERN CCC[C@@H]1C[C@@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000231661926 333327004 /nfs/dbraw/zinc/32/70/04/333327004.db2.gz KZIRLYCTWKWFMH-ABAIWWIYSA-N 0 0 251.333 3.707 10 30 CHEERN C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cncc(F)c1 ZINC000235562306 333370968 /nfs/dbraw/zinc/37/09/68/333370968.db2.gz BXHSJGBUBRLRAN-VIFPVBQESA-N 0 0 275.714 3.919 10 30 CHEERN N#C[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000061892539 333474911 /nfs/dbraw/zinc/47/49/11/333474911.db2.gz QAOPVWPGEHMAIT-MFKMUULPSA-N 0 0 269.175 3.775 10 30 CHEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(OC(F)F)cc1 ZINC000061891720 333475024 /nfs/dbraw/zinc/47/50/24/333475024.db2.gz CNOOBYHGZFBUEU-SUHUHFCYSA-N 0 0 280.318 3.631 10 30 CHEERN CCc1oc2ccccc2c1CN[C@@H]1CCC[C@@H]1C#N ZINC000061892038 333475028 /nfs/dbraw/zinc/47/50/28/333475028.db2.gz QONMHYNXTQKNBZ-IUODEOHRSA-N 0 0 268.360 3.777 10 30 CHEERN COc1ccc2ccccc2c1CN[C@H]1CCC[C@@H]1C#N ZINC000061891859 333475062 /nfs/dbraw/zinc/47/50/62/333475062.db2.gz DTGHCLHYINVDTO-PBHICJAKSA-N 0 0 280.371 3.630 10 30 CHEERN Cc1cc(Oc2ccc(F)cc2[N+](=O)[O-])ccc1C#N ZINC000126916651 333613660 /nfs/dbraw/zinc/61/36/60/333613660.db2.gz FNCUDGGTSAYKDJ-UHFFFAOYSA-N 0 0 272.235 3.706 10 30 CHEERN O=C(Nc1c[nH]nc1-c1nccs1)[C@@H]1CCC(F)(F)C1 ZINC000330155857 534329507 /nfs/dbraw/zinc/32/95/07/534329507.db2.gz OYSPUZCBWVQBIR-SSDOTTSWSA-N 0 0 298.318 3.557 10 30 CHEERN CCCCCCCCCNc1ncnc2n[nH]cc21 ZINC000001718469 520027874 /nfs/dbraw/zinc/02/78/74/520027874.db2.gz ATYNHFGOSFWMLS-UHFFFAOYSA-N 0 0 261.373 3.515 10 30 CHEERN CCCCCC[C@H](C)OCC[C@@H](C#N)NCCC ZINC000062441757 520132772 /nfs/dbraw/zinc/13/27/72/520132772.db2.gz NDQTYNROZSCCGD-GJZGRUSLSA-N 0 0 254.418 3.644 10 30 CHEERN Cc1oc2ccc(NC(=O)N[C@H]3CCC[C@@H]3C#N)cc2c1C ZINC000330051300 534549741 /nfs/dbraw/zinc/54/97/41/534549741.db2.gz NGKGOVSPJYLIIT-DOMZBBRYSA-N 0 0 297.358 3.877 10 30 CHEERN CCCc1ccc(-c2ccc(C#N)c(NC)n2)cc1 ZINC000049838877 521387954 /nfs/dbraw/zinc/38/79/54/521387954.db2.gz GDRQSQDXYDEMSD-UHFFFAOYSA-N 0 0 251.333 3.614 10 30 CHEERN CCc1ccccc1[C@H](C#N)NCc1ccccc1 ZINC000052204062 521951579 /nfs/dbraw/zinc/95/15/79/521951579.db2.gz GYYVGJSXLWMZCS-KRWDZBQOSA-N 0 0 250.345 3.603 10 30 CHEERN COCc1c(Br)cccc1NCCCCC#N ZINC000049578484 522896351 /nfs/dbraw/zinc/89/63/51/522896351.db2.gz ONKQWEQQNQSJLQ-UHFFFAOYSA-N 0 0 297.196 3.701 10 30 CHEERN CC[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(C)nn2C)C1 ZINC000052309864 523355846 /nfs/dbraw/zinc/35/58/46/523355846.db2.gz MVMLIXQMZDOLIF-JHJVBQTASA-N 0 0 263.410 3.539 10 30 CHEERN CCc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000050632064 523875834 /nfs/dbraw/zinc/87/58/34/523875834.db2.gz XHBZWCHEMWXMHR-BOPFTXTBSA-N 0 0 264.332 3.571 10 30 CHEERN COc1ccc(Nc2cc(C)nc(C)c2C#N)cc1C ZINC000156560884 524713357 /nfs/dbraw/zinc/71/33/57/524713357.db2.gz SOBFWFJOASKUEH-UHFFFAOYSA-N 0 0 267.332 3.631 10 30 CHEERN Cc1ccc(Cl)cc1NCc1cccnc1C#N ZINC000061656760 524757181 /nfs/dbraw/zinc/75/71/81/524757181.db2.gz XHYRZJVTCKGECR-UHFFFAOYSA-N 0 0 257.724 3.527 10 30 CHEERN Cc1cccc(Oc2cc(Cl)ccc2C#N)c1N ZINC000062785706 524785118 /nfs/dbraw/zinc/78/51/18/524785118.db2.gz YIYPYHZFVBWTNZ-UHFFFAOYSA-N 0 0 258.708 3.895 10 30 CHEERN Cc1cc(N2CC[C@@H](c3ccccc3)C2)c(C#N)c(C)n1 ZINC000156573188 525090925 /nfs/dbraw/zinc/09/09/25/525090925.db2.gz YHMCHYBICODLFT-MRXNPFEDSA-N 0 0 277.371 3.564 10 30 CHEERN C[C@H](NC(=O)[C@@H](C#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000061614972 525126965 /nfs/dbraw/zinc/12/69/65/525126965.db2.gz LGHLTSWPEXDUGE-LRDDRELGSA-N 0 0 298.773 3.825 10 30 CHEERN Cc1nnccc1NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000330121693 534873584 /nfs/dbraw/zinc/87/35/84/534873584.db2.gz JUBLSYNLGLRBHN-BZNIZROVSA-N 0 0 296.374 3.559 10 30 CHEERN Cc1ccc(C(=O)[C@H](C#N)c2cccs2)c(C)c1 ZINC000052902476 526240835 /nfs/dbraw/zinc/24/08/35/526240835.db2.gz ZHOICENSSVJJIA-CYBMUJFWSA-N 0 0 255.342 3.855 10 30 CHEERN Cc1ccc(C(=O)[C@H](C#N)c2cccs2)cc1F ZINC000052902690 526241071 /nfs/dbraw/zinc/24/10/71/526241071.db2.gz ZZCNOLQNNXPFBK-LLVKDONJSA-N 0 0 259.305 3.686 10 30 CHEERN N#C[C@@H]1CCCCC[C@H]1Nc1ccc(F)c(F)c1 ZINC000054823865 526499625 /nfs/dbraw/zinc/49/96/25/526499625.db2.gz IZJNJDGSWHFBOA-IINYFYTJSA-N 0 0 250.292 3.849 10 30 CHEERN N#C[C@H](c1cc(F)c(F)c(F)c1)N1CCCCCC1 ZINC000062720137 526511077 /nfs/dbraw/zinc/51/10/77/526511077.db2.gz CNAXIBANULKWCU-CYBMUJFWSA-N 0 0 268.282 3.545 10 30 CHEERN N#Cc1ccc(CN2CCCC[C@@H]2c2nccs2)s1 ZINC000127710738 526611023 /nfs/dbraw/zinc/61/10/23/526611023.db2.gz VYONCMZNXUGZIP-CYBMUJFWSA-N 0 0 289.429 3.803 10 30 CHEERN N#Cc1ccc(NC[C@@H]2Cc3ccccc32)c(Cl)c1 ZINC000062790928 526662855 /nfs/dbraw/zinc/66/28/55/526662855.db2.gz BGVOLLNUBXWSTE-ZDUSSCGKSA-N 0 0 268.747 3.963 10 30 CHEERN N#Cc1ccsc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000129667952 526770862 /nfs/dbraw/zinc/77/08/62/526770862.db2.gz NVCVGRQQYDHOAF-CHWSQXEVSA-N 0 0 274.389 3.775 10 30 CHEERN N/C(=N/O)c1ccc(Oc2cccc(Cl)c2)c(Cl)c1 ZINC000062794836 526803002 /nfs/dbraw/zinc/80/30/02/526803002.db2.gz HXYZTSGVSZSIOE-UHFFFAOYSA-N 0 0 297.141 3.880 10 30 CHEERN Cc1nc2c(cc(OCCC=O)c3ccsc32)s1 ZINC000062544585 527096914 /nfs/dbraw/zinc/09/69/14/527096914.db2.gz BVIGSQMJJJIPNF-UHFFFAOYSA-N 0 0 277.370 3.787 10 30 CHEERN C=CCN(Cc1ccco1)Cc1ccc2cccc(O)c2n1 ZINC000055131196 566869987 /nfs/dbraw/zinc/86/99/87/566869987.db2.gz YSGANMFCOPXALF-UHFFFAOYSA-N 0 0 294.354 3.722 10 30 CHEERN CC(C)[C@@H]1CC[C@@H](C)/C(=C\c2ccc(N)cc2)C1=O ZINC000100069467 567912131 /nfs/dbraw/zinc/91/21/31/567912131.db2.gz GTUBLXPYISHKLW-GJWHOYOLSA-N 0 0 257.377 3.923 10 30 CHEERN O=C1C=Cc2ccccc2C1=NNc1cccc(Cl)c1 ZINC000100209947 567912409 /nfs/dbraw/zinc/91/24/09/567912409.db2.gz KHLGXFNCQOCEDF-KNTRCKAVSA-N 0 0 282.730 3.752 10 30 CHEERN O=C1C=Cc2ccccc2C1=NNc1ccccc1Cl ZINC000100209941 567912423 /nfs/dbraw/zinc/91/24/23/567912423.db2.gz PRQXXWQHJWHDHV-KNTRCKAVSA-N 0 0 282.730 3.752 10 30 CHEERN CCOC(=O)CC1CCC(c2ccc(CC#N)cc2)CC1 ZINC000087493414 570254157 /nfs/dbraw/zinc/25/41/57/570254157.db2.gz LSPPLWSCHGWVDA-UHFFFAOYSA-N 0 0 285.387 3.980 10 30 CHEERN N#CCc1cccc(Br)c1C(F)(F)F ZINC000261507680 1128057499 /nfs/dbraw/zinc/05/74/99/1128057499.db2.gz LCLAPHLQYQZFAZ-UHFFFAOYSA-N 0 0 264.044 3.534 10 30 CHEERN O=c1[nH]c2ccccc2cc1C=NCc1ccc(Cl)cn1 ZINC000588384523 1118486019 /nfs/dbraw/zinc/48/60/19/1118486019.db2.gz ZFSGFLJIHVJGSV-LSCVHKIXSA-N 0 0 297.745 3.608 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1cccc(O)c1 ZINC000588423423 1118664585 /nfs/dbraw/zinc/66/45/85/1118664585.db2.gz LDQGROMIZCGDDL-FPLPWBNLSA-N 0 0 275.307 3.837 10 30 CHEERN Cc1cc2cc(C(=O)/C=C\c3cocn3)oc2cc1C ZINC000588579337 1119378695 /nfs/dbraw/zinc/37/86/95/1119378695.db2.gz QOUNHRSEOMHMMB-ARJAWSKDSA-N 0 0 267.284 3.934 10 30 CHEERN Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1cocn1)CO2 ZINC000588579694 1119381237 /nfs/dbraw/zinc/38/12/37/1119381237.db2.gz VEGRYFISTZUSME-ONNFQVAWSA-N 0 0 289.718 3.604 10 30 CHEERN CCc1c2ccccc2oc1C(=O)/C=C\c1cocn1 ZINC000588581217 1119399525 /nfs/dbraw/zinc/39/95/25/1119399525.db2.gz YZOUFMUJXRIZSS-FPLPWBNLSA-N 0 0 267.284 3.879 10 30 CHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000329738403 1119492722 /nfs/dbraw/zinc/49/27/22/1119492722.db2.gz MUBIMQDOIAIGGY-LSDHHAIUSA-N 0 0 289.423 3.639 10 30 CHEERN Cc1nc([C@@H](C)NC(=O)c2oc(C3CC3)nc2C)cs1 ZINC000329775305 1119506586 /nfs/dbraw/zinc/50/65/86/1119506586.db2.gz JFRNROJONUHZRB-SSDOTTSWSA-N 0 0 291.376 3.691 10 30 CHEERN CC(C)(CCC#N)COC(=O)/C=C\SCc1ccco1 ZINC000588616947 1119616922 /nfs/dbraw/zinc/61/69/22/1119616922.db2.gz GQZMDRUGSZHSLN-POHAHGRESA-N 0 0 293.388 3.900 10 30 CHEERN C=CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000102216138 1119748061 /nfs/dbraw/zinc/74/80/61/1119748061.db2.gz VPTYAJMQMHWVFU-UHFFFAOYSA-N 0 0 276.336 3.854 10 30 CHEERN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccn2C2CCCC2)C1 ZINC000181978459 1120111810 /nfs/dbraw/zinc/11/18/10/1120111810.db2.gz LYCZRQUHCYCKPB-KDOFPFPSSA-N 0 0 299.418 3.805 10 30 CHEERN C#CC[C@H](OC(=O)C[C@H](CC)C(C)C)c1ccccn1 ZINC000105550073 1123055975 /nfs/dbraw/zinc/05/59/75/1123055975.db2.gz RYEYXLNBYUGPKC-HOCLYGCPSA-N 0 0 273.376 3.762 10 30 CHEERN CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328739297 1123108510 /nfs/dbraw/zinc/10/85/10/1123108510.db2.gz LEMRJWBUYXUDOI-NEPJUHHUSA-N 0 0 278.396 3.811 10 30 CHEERN CCN(CC)C(=O)c1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000193109513 1123193909 /nfs/dbraw/zinc/19/39/09/1123193909.db2.gz RYBUDBBFVXFHNH-HOCLYGCPSA-N 0 0 299.418 3.663 10 30 CHEERN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCCCNC2=O)[C@H](C)C1 ZINC000329277985 1123604500 /nfs/dbraw/zinc/60/45/00/1123604500.db2.gz LAIKLUSPIVTJRB-MQYQWHSLSA-N 0 0 280.412 3.914 10 30 CHEERN Cc1ccn(-c2ccccc2N[C@H]2CCC[C@H](C#N)C2)n1 ZINC000193104955 1125336199 /nfs/dbraw/zinc/33/61/99/1125336199.db2.gz AESZZRBHTBNRLD-GJZGRUSLSA-N 0 0 280.375 3.675 10 30 CHEERN C#Cc1cccc(N(CC)C(=O)Cc2ccc(C)s2)c1 ZINC000103026971 1129684116 /nfs/dbraw/zinc/68/41/16/1129684116.db2.gz PGGIRNPVXRASEC-UHFFFAOYSA-N 0 0 283.396 3.633 10 30 CHEERN Cc1ccccc1NC(=O)ON=C(Cl)C(C)C ZINC000097956084 230388497 /nfs/dbraw/zinc/38/84/97/230388497.db2.gz IMQRTBJMEAJDOI-RVDMUPIBSA-N 0 0 254.717 3.752 10 30 CHEERN C[C@@H](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C(C)(C)C ZINC000408005143 260169723 /nfs/dbraw/zinc/16/97/23/260169723.db2.gz RULBUVUVUXHOIV-DVOMOZLQSA-N 0 0 264.413 3.647 10 30 CHEERN CC(=O)Nc1ccc(/N=C\c2ccc(C)cc2)cc1 ZINC000100207630 185707768 /nfs/dbraw/zinc/70/77/68/185707768.db2.gz REUODRDBLQASAI-BOPFTXTBSA-N 0 0 252.317 3.704 10 30 CHEERN N#C[C@H](NC1CCCCCC1)c1cccc(F)c1F ZINC000104232323 185938174 /nfs/dbraw/zinc/93/81/74/185938174.db2.gz RRUUJCKSYZVTNZ-AWEZNQCLSA-N 0 0 264.319 3.842 10 30 CHEERN CCC(CC)[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000104440885 186003183 /nfs/dbraw/zinc/00/31/83/186003183.db2.gz RVJWCANJGLZJCN-JTQLQIEISA-N 0 0 261.325 3.703 10 30 CHEERN Nc1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000090598924 180010687 /nfs/dbraw/zinc/01/06/87/180010687.db2.gz BKCSZXHDUUMKNU-WTKPLQERSA-N 0 0 257.720 3.818 10 30 CHEERN O=C1C=C(c2ccccc2)/C(=N\O)C=C1c1ccccc1 ZINC000105995730 186097013 /nfs/dbraw/zinc/09/70/13/186097013.db2.gz YUUWDSAVNUVPPZ-ZPHPHTNESA-N 0 0 275.307 3.567 10 30 CHEERN CCOC(=O)c1ccc(Oc2ccccc2C#N)cc1 ZINC000075914586 184585299 /nfs/dbraw/zinc/58/52/99/184585299.db2.gz UOMSLERURUYAIN-UHFFFAOYSA-N 0 0 267.284 3.527 10 30 CHEERN Clc1nc2sccn2c1/C=N\Cc1ccccc1 ZINC000003028007 169850076 /nfs/dbraw/zinc/85/00/76/169850076.db2.gz YZPNDUQZPUDZGE-DHDCSXOGSA-N 0 0 275.764 3.668 10 30 CHEERN CCC[C@H](C#Cc1ccccc1)NC(=O)c1ccccc1 ZINC000005310988 170084731 /nfs/dbraw/zinc/08/47/31/170084731.db2.gz DQBYHJUEWCTLJK-GOSISDBHSA-N 0 0 277.367 3.637 10 30 CHEERN C(=N/n1cnc2sc3c(c21)CCCC3)\c1ccccc1 ZINC000005351056 170088748 /nfs/dbraw/zinc/08/87/48/170088748.db2.gz HBXMYCDJAJVQNU-VCHYOVAHSA-N 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COc1cccc(C=NNc2ccc(C)c(Cl)c2)c1O ZINC000015353930 170664024 /nfs/dbraw/zinc/66/40/24/170664024.db2.gz GCHDPBJUXXEOAT-RQZCQDPDSA-N 0 0 290.750 3.809 10 30 CHEERN C/C(=N\O)c1cccc(NC(=O)c2ccc(C)s2)c1 ZINC000019435158 170799477 /nfs/dbraw/zinc/79/94/77/170799477.db2.gz WHGKWSHCZVKDDS-MHWRWJLKSA-N 0 0 274.345 3.507 10 30 CHEERN N#Cc1ccccc1NCc1c(F)cccc1Cl ZINC000019921782 170929191 /nfs/dbraw/zinc/92/91/91/170929191.db2.gz QVJDKESZYDZKQH-UHFFFAOYSA-N 0 0 260.699 3.963 10 30 CHEERN N#CCc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000020078336 170985303 /nfs/dbraw/zinc/98/53/03/170985303.db2.gz AKZNTWBECPLHOY-UHFFFAOYSA-N 0 0 252.701 3.669 10 30 CHEERN N#C[C@@H](NC1CCCCC1)c1c(F)cccc1Cl ZINC000020175241 171041866 /nfs/dbraw/zinc/04/18/66/171041866.db2.gz CEVSIPJBNCQWJL-CYBMUJFWSA-N 0 0 266.747 3.966 10 30 CHEERN COc1ccc(OC)c([C@@H](C#N)NC2CCCCCC2)c1 ZINC000020175933 171042252 /nfs/dbraw/zinc/04/22/52/171042252.db2.gz QXRCJWSENYZFSK-MRXNPFEDSA-N 0 0 288.391 3.581 10 30 CHEERN CC/C(=N\O)c1ccc(OCc2ccccc2)cc1 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C=CCN(CC(F)(F)F)C(=O)C1CCCCCC1 ZINC000101818022 328377746 /nfs/dbraw/zinc/37/77/46/328377746.db2.gz ACZUHIUGRZCCIZ-UHFFFAOYSA-N 0 0 263.303 3.534 10 30 CHEERN C=CCN(C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000155688998 327395002 /nfs/dbraw/zinc/39/50/02/327395002.db2.gz HEWSNPFVDOXTGY-CYBMUJFWSA-N 0 0 268.360 3.728 10 30 CHEERN C[C@@H](SCc1nnc(C2CC2)n1C)c1ccc(C#N)cc1 ZINC000179834061 329212684 /nfs/dbraw/zinc/21/26/84/329212684.db2.gz DVWSQSWKPIVWRJ-LLVKDONJSA-N 0 0 298.415 3.559 10 30 CHEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000184884101 329263340 /nfs/dbraw/zinc/26/33/40/329263340.db2.gz VOUMNRBIFTWSHK-CZUORRHYSA-N 0 0 257.377 3.783 10 30 CHEERN CC(C)n1c2ccccc2nc1[C@@H]1CCCN([C@H](C)C#N)C1 ZINC000248448737 329893494 /nfs/dbraw/zinc/89/34/94/329893494.db2.gz HVZIEYWOKIZLPS-HUUCEWRRSA-N 0 0 296.418 3.709 10 30 CHEERN CCC1CCC(NC(=O)C2(C#N)CCCCC2)CC1 ZINC000044385828 330327926 /nfs/dbraw/zinc/32/79/26/330327926.db2.gz YRMZENPGEDIVNU-UHFFFAOYSA-N 0 0 262.397 3.545 10 30 CHEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119173150 330370675 /nfs/dbraw/zinc/37/06/75/330370675.db2.gz KMBCRNGPFJLIQH-MRXNPFEDSA-N 0 0 290.382 3.811 10 30 CHEERN Cc1ccc([C@H](C)NCc2ccccc2C#N)cc1F ZINC000120926125 330393265 /nfs/dbraw/zinc/39/32/65/330393265.db2.gz NFNXVOHRICSQDT-ZDUSSCGKSA-N 0 0 268.335 3.857 10 30 CHEERN C[C@H](C#N)NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000121239905 330398328 /nfs/dbraw/zinc/39/83/28/330398328.db2.gz PCXRVYZPEKONGJ-SNVBAGLBSA-N 0 0 299.201 3.734 10 30 CHEERN Cc1ccc(CN[C@@H]2CCC[C@H]2C#N)c(Br)c1 ZINC000164035557 331154680 /nfs/dbraw/zinc/15/46/80/331154680.db2.gz PKUWNGTYOLRBCF-SMDDNHRTSA-N 0 0 293.208 3.539 10 30 CHEERN CCS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000166942677 331307685 /nfs/dbraw/zinc/30/76/85/331307685.db2.gz NHFXVGHWJSHWAO-OLZOCXBDSA-N 0 0 291.376 3.553 10 30 CHEERN C[C@@H]1C[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC(C)(C)C1 ZINC000182936518 333118375 /nfs/dbraw/zinc/11/83/75/333118375.db2.gz SVQSIAWFISLQFI-PBHICJAKSA-N 0 0 298.430 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Cc1cc(Oc2cc([N+](=O)[O-])ccc2C)c(C#N)c(C)n1 ZINC000156605474 525384952 /nfs/dbraw/zinc/38/49/52/525384952.db2.gz FHXYBCYWWDJOHP-UHFFFAOYSA-N 0 0 283.287 3.579 10 30 CHEERN Cc1cc(Oc2ccc(C)c(C)c2)c(C#N)c(C)n1 ZINC000157475618 525385432 /nfs/dbraw/zinc/38/54/32/525385432.db2.gz UCLHCASWOVVKOI-UHFFFAOYSA-N 0 0 252.317 3.979 10 30 CHEERN Cc1cc(Oc2ccc([N+](=O)[O-])c(C)c2)c(C#N)c(C)n1 ZINC000156604924 525387319 /nfs/dbraw/zinc/38/73/19/525387319.db2.gz DTSFWRPMRSPBGE-UHFFFAOYSA-N 0 0 283.287 3.579 10 30 CHEERN Cc1nnccc1NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000330121695 534872785 /nfs/dbraw/zinc/87/27/85/534872785.db2.gz JUBLSYNLGLRBHN-MEDUHNTESA-N 0 0 296.374 3.559 10 30 CHEERN Cc1ccoc1C(=O)[C@@H](C#N)c1ccc(C)c(C)c1 ZINC000061681842 525791104 /nfs/dbraw/zinc/79/11/04/525791104.db2.gz DRTWQEMPDVCGIH-AWEZNQCLSA-N 0 0 253.301 3.695 10 30 CHEERN C/N=c1\scc(-c2cccs2)n1/N=C/c1ccccc1 ZINC000012603006 526416875 /nfs/dbraw/zinc/41/68/75/526416875.db2.gz PTZGFMMYKBYHER-HZYVTAJCSA-N 0 0 299.424 3.691 10 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N/C(=N/O)c1cc(Cl)ccc1OC1CCCCCC1 ZINC000052860855 526802432 /nfs/dbraw/zinc/80/24/32/526802432.db2.gz GCCTVLMLRVWGRU-UHFFFAOYSA-N 0 0 282.771 3.536 10 30 CHEERN CC(=O)c1ccc(C#N)cc1NC[C@H]1C[C@H]1c1ccccc1 ZINC000302118486 527231511 /nfs/dbraw/zinc/23/15/11/527231511.db2.gz SMRGZSDHDKCVMA-AEFFLSMTSA-N 0 0 290.366 3.976 10 30 CHEERN OCC#Cc1csc(CSCC2CCCC2)c1 ZINC000062836987 527521187 /nfs/dbraw/zinc/52/11/87/527521187.db2.gz JSXPBOBODDFNAI-UHFFFAOYSA-N 0 0 266.431 3.515 10 30 CHEERN C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OC(C)=O)[C@@H]12 ZINC000032071527 560089438 /nfs/dbraw/zinc/08/94/38/560089438.db2.gz ICLTVELXFUIGLS-FBHBFLDISA-N 0 0 272.344 3.577 10 30 biogenic,in-vitro CHEERN CCC(C)(C)C1CCC(CC(=O)OC)([C@H]2CO2)CC1 ZINC000675053569 566936410 /nfs/dbraw/zinc/93/64/10/566936410.db2.gz ORWSNBADHGKFNE-MFOWVQHXSA-N 0 0 268.397 3.561 10 30 CHEERN C=CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)OC)c1 ZINC000667943871 566938474 /nfs/dbraw/zinc/93/84/74/566938474.db2.gz JFICAISMYZPTSJ-UHFFFAOYSA-N 0 0 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CHEERN C/C=C/C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685959469 570406830 /nfs/dbraw/zinc/40/68/30/570406830.db2.gz XJSDCLQCNVIKJI-WEVVVXLNSA-N 0 0 289.375 3.569 10 30 CHEERN C=C(C)CN(CC)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000105032871 1125474689 /nfs/dbraw/zinc/47/46/89/1125474689.db2.gz OFPUICPYRYYWDM-CYBMUJFWSA-N 0 0 276.380 3.824 10 30 CHEERN COc1c(C)cc(/C=C\C(=O)c2ccncc2)cc1C ZINC000588386419 1118490778 /nfs/dbraw/zinc/49/07/78/1118490778.db2.gz OYTHCYRTNVIIJQ-PLNGDYQASA-N 0 0 267.328 3.603 10 30 CHEERN Cc1c(C(=O)/C=C\c2ccc(C(C)(C)C)s2)cnn1C ZINC000588397402 1118540683 /nfs/dbraw/zinc/54/06/83/1118540683.db2.gz ZYZHDJUBMCMUEJ-VURMDHGXSA-N 0 0 288.416 3.984 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1cccnc1 ZINC000588423486 1118666051 /nfs/dbraw/zinc/66/60/51/1118666051.db2.gz QMBAYGXCGAAJGY-SREVYHEPSA-N 0 0 260.296 3.526 10 30 CHEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1cccs1 ZINC000588551985 1119227020 /nfs/dbraw/zinc/22/70/20/1119227020.db2.gz KCJYLELODZYWPH-ZPIQOJFGSA-N 0 0 280.389 3.533 10 30 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CC1(C)Cc2sc(N)c(C#N)c2-c2ccccc21 ZINC000020525601 171238650 /nfs/dbraw/zinc/23/86/50/171238650.db2.gz JDKPWNWMSQBJCV-UHFFFAOYSA-N 0 0 254.358 3.703 10 30 CHEERN C[C@H](Nc1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526076 171239144 /nfs/dbraw/zinc/23/91/44/171239144.db2.gz DGRSLNSUJPZFEG-NSHDSACASA-N 0 0 267.288 3.640 10 30 CHEERN C/C(=N\O)c1ccccc1OCc1ccc(C)cc1 ZINC000020546358 171244056 /nfs/dbraw/zinc/24/40/56/171244056.db2.gz ZPWUIJSODCVJFR-GHRIWEEISA-N 0 0 255.317 3.772 10 30 CHEERN C[C@H](CCc1ccccc1)Nc1cccc(C#N)c1 ZINC000021030256 171291617 /nfs/dbraw/zinc/29/16/17/171291617.db2.gz XKSQNTHCINBRAH-CQSZACIVSA-N 0 0 250.345 3.991 10 30 CHEERN COc1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000035393443 172177106 /nfs/dbraw/zinc/17/71/06/172177106.db2.gz DAZJIYVWCMJULT-YBEGLDIGSA-N 0 0 283.356 3.751 10 30 CHEERN C[C@@H](O)c1cc(F)ccc1Oc1ccc(CC#N)cc1 ZINC000035632111 172314510 /nfs/dbraw/zinc/31/45/10/172314510.db2.gz RNYZFYFAIPHRPP-LLVKDONJSA-N 0 0 271.291 3.737 10 30 CHEERN 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0 258.271 3.950 10 30 CHEERN Cc1ccc(/C(N)=N/O)c(S[C@H]2CCC[C@H](C)C2)c1 ZINC000054691089 525941842 /nfs/dbraw/zinc/94/18/42/525941842.db2.gz QJBHOMOXEAIPSK-JQWIXIFHSA-N 0 0 278.421 3.760 10 30 CHEERN Cc1csc(Sc2nc3c(cc2C#N)CCCC3)n1 ZINC000050499199 526399073 /nfs/dbraw/zinc/39/90/73/526399073.db2.gz HAYNRDGQBHWPDP-UHFFFAOYSA-N 0 0 287.413 3.748 10 30 CHEERN N#C[C@@H](C(=O)c1ccc(Cl)s1)c1cccs1 ZINC000052902954 526493417 /nfs/dbraw/zinc/49/34/17/526493417.db2.gz KXHRIPJKUPVURH-SSDOTTSWSA-N 0 0 267.762 3.953 10 30 CHEERN N#C[C@@H](Nc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000062711957 526496505 /nfs/dbraw/zinc/49/65/05/526496505.db2.gz BAGDLNCKUAJSDE-CYBMUJFWSA-N 0 0 262.234 3.781 10 30 CHEERN N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(F)c(F)c1F ZINC000054823440 526498271 /nfs/dbraw/zinc/49/82/71/526498271.db2.gz XEUBYNHFSXRPAG-ONGXEEELSA-N 0 0 268.282 3.988 10 30 CHEERN N#C[C@@H]1CCCC[C@H]1Nc1cc(F)c(F)c(F)c1 ZINC000061096527 526500477 /nfs/dbraw/zinc/50/04/77/526500477.db2.gz OYIAALNFYGRXEO-QPUJVOFHSA-N 0 0 254.255 3.598 10 30 CHEERN N#C[C@H]1CCC[C@@H]1Nc1ccc(F)c(C(F)(F)F)c1 ZINC000054826214 526513083 /nfs/dbraw/zinc/51/30/83/526513083.db2.gz NDJIMHCTMMQNFG-PELKAZGASA-N 0 0 272.245 3.949 10 30 CHEERN N#Cc1ccc(Cl)cc1N(Cc1ccco1)C1CC1 ZINC000062790051 526634305 /nfs/dbraw/zinc/63/43/05/526634305.db2.gz HBAQWNBLPPHGGY-UHFFFAOYSA-N 0 0 272.735 3.974 10 30 CHEERN N#Cc1ccc(NC(=O)[C@H]2CCCCC2(F)F)c(Cl)c1 ZINC000297869036 526657516 /nfs/dbraw/zinc/65/75/16/526657516.db2.gz QWLLVOVMFIEAHT-SNVBAGLBSA-N 0 0 298.720 3.976 10 30 CHEERN N#Cc1ccc(Sc2ccccc2N)cc1Cl ZINC000061847445 526686446 /nfs/dbraw/zinc/68/64/46/526686446.db2.gz UQZNNJYGJIPDRJ-UHFFFAOYSA-N 0 0 260.749 3.945 10 30 CHEERN N/C(=N/O)c1ccc(Cl)cc1Oc1ccccc1Cl ZINC000062789594 526803448 /nfs/dbraw/zinc/80/34/48/526803448.db2.gz MAYXUZFADUMUAI-UHFFFAOYSA-N 0 0 297.141 3.880 10 30 CHEERN CC(C)(c1noc([C@]2(C#N)CC23CCCC3)n1)C1CCC1 ZINC000333223552 527383647 /nfs/dbraw/zinc/38/36/47/527383647.db2.gz MSHTWRWUWKFOMA-QGZVFWFLSA-N 0 0 285.391 3.873 10 30 CHEERN CCCC[C@@](C#N)(Cn1ccnc1)c1ccccc1 ZINC000001532196 560181737 /nfs/dbraw/zinc/18/17/37/560181737.db2.gz OQOULEWDDRNBSG-MRXNPFEDSA-N 0 0 253.349 3.535 10 30 in-vitro CHEERN C=C(Cc1ccc(O)cc1)C(=C)Cc1ccc(O)cc1 ZINC000001641882 560183206 /nfs/dbraw/zinc/18/32/06/560183206.db2.gz VVKZAZVVUAFFGF-UHFFFAOYSA-N 0 0 266.340 3.995 10 30 in-vitro CHEERN O=C(CCc1ccccc1)O/N=C/c1ccc(Cl)cc1 ZINC000005736493 567859682 /nfs/dbraw/zinc/85/96/82/567859682.db2.gz NYQLBBAUOWSVDL-LDADJPATSA-N 0 0 287.746 3.850 10 30 CHEERN CC(C)/C=N/C(C)(C)CN1[C@@H](C(C)C)OCC1(C)C ZINC000019367750 567877921 /nfs/dbraw/zinc/87/79/21/567877921.db2.gz JAQBVFDRAFMCAM-IREQLNLFSA-N 0 0 268.445 3.585 10 30 CHEERN Fc1ccc(Br)cc1-c1cc(CS)no1 ZINC000725252830 567910639 /nfs/dbraw/zinc/91/06/39/567910639.db2.gz QVVOCJHTFZIJJX-UHFFFAOYSA-N 0 0 288.141 3.673 10 30 CHEERN Cn1cc(C(F)F)c(-c2ccc(C#N)c(Cl)c2)n1 ZINC000725271026 567924578 /nfs/dbraw/zinc/92/45/78/567924578.db2.gz VGMMIWIEYPHRTP-UHFFFAOYSA-N 0 0 267.666 3.550 10 30 CHEERN C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1C=CCC2(C)C ZINC000102728378 567941953 /nfs/dbraw/zinc/94/19/53/567941953.db2.gz KKSJUZYYCHNUSC-JTQLQIEISA-N 0 0 294.350 3.524 10 30 biogenic CHEERN O=[N+]([O-])c1ccc(/C=N\[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000222330397 570312561 /nfs/dbraw/zinc/31/25/61/570312561.db2.gz GOIHYSQQEDOKCD-GUNNMUBUSA-N 0 0 266.300 3.570 10 30 CHEERN C=C(C)CN(CC)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000105032874 1125474303 /nfs/dbraw/zinc/47/43/03/1125474303.db2.gz OFPUICPYRYYWDM-ZDUSSCGKSA-N 0 0 276.380 3.824 10 30 CHEERN Cc1nc([C@H](C)NC(=O)NCC2(C3CC3)CCC2)cs1 ZINC000328727336 1118450951 /nfs/dbraw/zinc/45/09/51/1118450951.db2.gz VCZUEBFNFVAWKG-JTQLQIEISA-N 0 0 293.436 3.596 10 30 CHEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(F)c(F)c1 ZINC000588410349 1118584544 /nfs/dbraw/zinc/58/45/44/1118584544.db2.gz IEZUGAJJARTNPK-UTCJRWHESA-N 0 0 290.265 3.575 10 30 CHEERN COc1ccc(O)cc1C(=O)/C=C\c1cc(C)c(O)c(C)c1 ZINC000588410337 1118584855 /nfs/dbraw/zinc/58/48/55/1118584855.db2.gz FONOAJZLHXYBKE-XQRVVYSFSA-N 0 0 298.338 3.619 10 30 CHEERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328777114 1118589289 /nfs/dbraw/zinc/58/92/89/1118589289.db2.gz LIQDFBRAVRVBSF-IGQOVBAYSA-N 0 0 278.396 3.668 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1ccccc1[O-] ZINC000588423254 1118662026 /nfs/dbraw/zinc/66/20/26/1118662026.db2.gz VLDLGYVJKXMZKS-HJWRWDBZSA-N 0 0 275.307 3.837 10 30 CHEERN CSCCCCCOC(=O)/C=C\c1ccccc1C#N ZINC000588449180 1118788483 /nfs/dbraw/zinc/78/84/83/1118788483.db2.gz GLPSSILQRMCKQX-KTKRTIGZSA-N 0 0 289.400 3.648 10 30 CHEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000178626892 1119145120 /nfs/dbraw/zinc/14/51/20/1119145120.db2.gz MKAOOEDENNWCIP-STQMWFEESA-N 0 0 285.391 3.767 10 30 CHEERN COc1ccc2c(c1)C(=O)/C(=C/c1cccnc1C)CS2 ZINC000588554977 1119234274 /nfs/dbraw/zinc/23/42/74/1119234274.db2.gz URBIRTHKPOSOTJ-MDWZMJQESA-N 0 0 297.379 3.771 10 30 CHEERN O=C(/C=C\c1cocn1)c1ccc(C(F)(F)F)cc1 ZINC000588561455 1119265509 /nfs/dbraw/zinc/26/55/09/1119265509.db2.gz UNHFYHZEFAVDDL-WAYWQWQTSA-N 0 0 267.206 3.590 10 30 CHEERN Cc1nc([C@@H](C)NC(=O)CCC2CCOCC2)cs1 ZINC000329818341 1119554262 /nfs/dbraw/zinc/55/42/62/1119554262.db2.gz ORMHWMPYBWRRAV-SNVBAGLBSA-N 0 0 282.409 3.676 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1cc(O)cc(O)c1 ZINC000588423121 1120075779 /nfs/dbraw/zinc/07/57/79/1120075779.db2.gz CUBMIKQGWSOXLY-PLNGDYQASA-N 0 0 291.306 3.542 10 30 CHEERN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccn2C2CCCC2)C1 ZINC000181978441 1120112370 /nfs/dbraw/zinc/11/23/70/1120112370.db2.gz LYCZRQUHCYCKPB-KBXCAEBGSA-N 0 0 299.418 3.805 10 30 CHEERN C[C@@H]1COC2=C1C(=O)c1ccc3c(c1C2=O)CCCC3(C)C ZINC000014559071 230371510 /nfs/dbraw/zinc/37/15/10/230371510.db2.gz VUIHARLRBGHPEA-SNVBAGLBSA-N 0 0 296.366 3.600 10 30 biogenic,in-vitro CHEERN Cc1ccc(OCc2ccccc2)c(C#CC(C)(C)O)c1 ZINC000095919547 185031639 /nfs/dbraw/zinc/03/16/39/185031639.db2.gz YMBXWYIKDKFTNB-UHFFFAOYSA-N 0 0 280.367 3.696 10 30 CHEERN Cc1nn(C)c(Sc2ccc(C(C)C)cc2)c1C#N ZINC000104325582 185968824 /nfs/dbraw/zinc/96/88/24/185968824.db2.gz QZFGQJYTHBBVRD-UHFFFAOYSA-N 0 0 271.389 3.875 10 30 CHEERN C=CC[C@@H](NC(=O)OCc1ccccc1)c1ccco1 ZINC000090735331 180033725 /nfs/dbraw/zinc/03/37/25/180033725.db2.gz VFANMTCFKLLVMV-CQSZACIVSA-N 0 0 271.316 3.823 10 30 CHEERN CCCCCCCOc1ccc(C(=O)OC)cc1 ZINC000002545256 169806939 /nfs/dbraw/zinc/80/69/39/169806939.db2.gz SWZHWQOWIGGWJR-UHFFFAOYSA-N 0 0 250.338 3.822 10 30 CHEERN Cc1ccc(/C=C/C(=O)c2nc3ccccc3[nH]2)cc1 ZINC000004419811 169967365 /nfs/dbraw/zinc/96/73/65/169967365.db2.gz ZOJWCPUTTBGCDW-ZHACJKMWSA-N 0 0 262.312 3.767 10 30 CHEERN COc1cccc(C=NNc2cccc(Cl)c2)c1 ZINC000004926776 170041627 /nfs/dbraw/zinc/04/16/27/170041627.db2.gz RYRFCJVGFRREEO-MHWRWJLKSA-N 0 0 260.724 3.795 10 30 CHEERN C[C@H](Oc1ccccc1C#N)C(=O)c1ccc(Cl)cc1 ZINC000005216065 170076980 /nfs/dbraw/zinc/07/69/80/170076980.db2.gz WHPGZZCYKQJUQS-NSHDSACASA-N 0 0 285.730 3.862 10 30 CHEERN Cc1cc(C=O)cc(C)c1OCc1ccc(C#N)cc1 ZINC000005455998 170101060 /nfs/dbraw/zinc/10/10/60/170101060.db2.gz WOWYYIGCNQKDGG-UHFFFAOYSA-N 0 0 265.312 3.567 10 30 CHEERN C/C(=N\OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000005725431 170133586 /nfs/dbraw/zinc/13/35/86/170133586.db2.gz GPPPJYGBOLLSKL-WOJGMQOQSA-N 0 0 287.359 3.763 10 30 CHEERN CCC(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000006755731 170241002 /nfs/dbraw/zinc/24/10/02/170241002.db2.gz OARMJNIOEMNRHA-MDZDMXLPSA-N 0 0 285.368 3.993 10 30 CHEERN COc1ccc(C=NNc2cccc(Cl)c2)cc1O ZINC000007949459 170309355 /nfs/dbraw/zinc/30/93/55/170309355.db2.gz QUWLDXOXVUXDFC-CXUHLZMHSA-N 0 0 276.723 3.500 10 30 CHEERN Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000008162806 170322243 /nfs/dbraw/zinc/32/22/43/170322243.db2.gz UHRCWCXUPWGZIQ-CQSZACIVSA-N 0 0 294.354 3.581 10 30 CHEERN CCCc1ccc(OCCOc2ccc(C#N)cc2)cc1 ZINC000011954441 170461713 /nfs/dbraw/zinc/46/17/13/170461713.db2.gz DBCDHLMBXUWWIY-UHFFFAOYSA-N 0 0 281.355 3.969 10 30 CHEERN N#C[C@H](NC1CCCCC1)c1c(F)cccc1Cl ZINC000020175239 171042019 /nfs/dbraw/zinc/04/20/19/171042019.db2.gz CEVSIPJBNCQWJL-ZDUSSCGKSA-N 0 0 266.747 3.966 10 30 CHEERN CC(C)CN[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177022 171043056 /nfs/dbraw/zinc/04/30/56/171043056.db2.gz YUOYEZDRUVQDEV-GFCCVEGCSA-N 0 0 257.164 3.804 10 30 CHEERN c1ccc(Oc2ccc(NC3=NCCS3)cc2)cc1 ZINC000020302516 171139601 /nfs/dbraw/zinc/13/96/01/171139601.db2.gz FBSNOCVOIGTFEL-UHFFFAOYSA-N 0 0 270.357 3.803 10 30 CHEERN CCCN[C@H](C#N)c1ccc(-c2ccccc2)cc1 ZINC000020380093 171171944 /nfs/dbraw/zinc/17/19/44/171171944.db2.gz PFJVEUWTJOQQTJ-QGZVFWFLSA-N 0 0 250.345 3.918 10 30 CHEERN CC/C(=N\O)c1ccc(OCc2ccccc2F)cc1 ZINC000020565186 171254002 /nfs/dbraw/zinc/25/40/02/171254002.db2.gz GTEASYRWXLGCOA-FBMGVBCBSA-N 0 0 273.307 3.993 10 30 CHEERN C=CCn1c(S[C@@H](C)CC)nnc1C(C)(C)C ZINC000020839612 171275485 /nfs/dbraw/zinc/27/54/85/171275485.db2.gz SHMFLCWWCBKHFR-JTQLQIEISA-N 0 0 253.415 3.652 10 30 CHEERN N#Cc1cccc(-c2ccc3oc(CCO)cc3c2)c1 ZINC000021987078 171345610 /nfs/dbraw/zinc/34/56/10/171345610.db2.gz SDQKEEJRVGZYBB-UHFFFAOYSA-N 0 0 263.296 3.506 10 30 CHEERN C[C@@H](C#N)CNc1cc(C(F)(F)F)ccc1Cl ZINC000032112729 171705465 /nfs/dbraw/zinc/70/54/65/171705465.db2.gz ZFLPMFUZGULGOC-ZETCQYMHSA-N 0 0 262.662 3.930 10 30 CHEERN N#Cc1c(F)cccc1N[C@@H]1CCOc2ccccc21 ZINC000035134977 172001573 /nfs/dbraw/zinc/00/15/73/172001573.db2.gz HUVSMDNGZOFLGG-OAHLLOKOSA-N 0 0 268.291 3.633 10 30 CHEERN CC[C@@H]1CSC(Nc2ccc(C)cc2Cl)=N1 ZINC000035295215 172107031 /nfs/dbraw/zinc/10/70/31/172107031.db2.gz BZZKLGZHSUJSRQ-SECBINFHSA-N 0 0 254.786 3.751 10 30 CHEERN C[C@@H](O)c1cc(F)ccc1N(CCC#N)c1ccccc1 ZINC000035631405 172313939 /nfs/dbraw/zinc/31/39/39/172313939.db2.gz KAQVMQOLBTUEOS-CYBMUJFWSA-N 0 0 284.334 3.931 10 30 CHEERN C[C@@H]1C[C@H](Oc2ccc(C#N)cc2N)CC(C)(C)C1 ZINC000035675022 172345089 /nfs/dbraw/zinc/34/50/89/172345089.db2.gz DRSGCHUNZJRNHM-YPMHNXCESA-N 0 0 258.365 3.734 10 30 CHEERN N#Cc1cccc(Nc2nc(Cl)nc3sccc32)c1 ZINC000036277427 172568950 /nfs/dbraw/zinc/56/89/50/172568950.db2.gz ZKLALFUZFNUMFV-UHFFFAOYSA-N 0 0 286.747 3.960 10 30 CHEERN N#C[C@H](C(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000036930401 172811485 /nfs/dbraw/zinc/81/14/85/172811485.db2.gz XRGFQZRJZPDAJJ-ZDUSSCGKSA-N 0 0 273.694 3.969 10 30 CHEERN Cc1ccc(SCc2cc(C#N)ccc2F)c(N)c1 ZINC000037193265 173022275 /nfs/dbraw/zinc/02/22/75/173022275.db2.gz DVJFJQBAEIMELE-UHFFFAOYSA-N 0 0 272.348 3.880 10 30 CHEERN N#Cc1ccc(CSc2ccc(F)cc2N)c(F)c1 ZINC000037195246 173024016 /nfs/dbraw/zinc/02/40/16/173024016.db2.gz DPABEESCRXGSBI-UHFFFAOYSA-N 0 0 276.311 3.711 10 30 CHEERN CCOc1ccc([C@@H](C#N)C(=O)CCC(C)C)cc1 ZINC000037347666 173144325 /nfs/dbraw/zinc/14/43/25/173144325.db2.gz XXJMVIQVIUZARK-OAHLLOKOSA-N 0 0 259.349 3.698 10 30 CHEERN N#Cc1cc(N)cnc1Nc1ccc(Cl)cc1Cl ZINC000037758948 173683838 /nfs/dbraw/zinc/68/38/38/173683838.db2.gz HVVOEYFKCRODMA-UHFFFAOYSA-N 0 0 279.130 3.586 10 30 CHEERN N#C[C@@H](NC1CCCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000037969533 173917991 /nfs/dbraw/zinc/91/79/91/173917991.db2.gz NMDKGIHGSAKYFM-CYBMUJFWSA-N 0 0 292.766 3.556 10 30 CHEERN CC[C@@H](C)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000038064678 174075088 /nfs/dbraw/zinc/07/50/88/174075088.db2.gz FWHZECVPOXQTHD-SKDRFNHKSA-N 0 0 256.271 3.658 10 30 CHEERN CC[C@@H](C)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000038064680 174075532 /nfs/dbraw/zinc/07/55/32/174075532.db2.gz FWHZECVPOXQTHD-BXKDBHETSA-N 0 0 256.271 3.658 10 30 CHEERN CCOc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000038320897 174139368 /nfs/dbraw/zinc/13/93/68/174139368.db2.gz CBUQIISYRJXPQL-YBEGLDIGSA-N 0 0 266.296 3.702 10 30 CHEERN CN1c2ccccc2S[C@H]1C#Cc1ccccc1 ZINC000039118951 174162920 /nfs/dbraw/zinc/16/29/20/174162920.db2.gz OSJOSCFNEDRURF-INIZCTEOSA-N 0 0 251.354 3.606 10 30 CHEERN N#Cc1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963744 174179730 /nfs/dbraw/zinc/17/97/30/174179730.db2.gz FHLNGYNXFSSQQG-UHFFFAOYSA-N 0 0 263.275 3.989 10 30 CHEERN N#CC1(NC(=O)CC2CCCCC2)CCCCCC1 ZINC000040221498 174206834 /nfs/dbraw/zinc/20/68/34/174206834.db2.gz TYHAFLGGFZOFDR-UHFFFAOYSA-N 0 0 262.397 3.690 10 30 CHEERN C=CCn1c2ccccc2nc1-c1cccc(OC)c1 ZINC000040250088 174215602 /nfs/dbraw/zinc/21/56/02/174215602.db2.gz YSUPNTIAUQFOSR-UHFFFAOYSA-N 0 0 264.328 3.898 10 30 CHEERN Cc1nc(C)c([C@@H](C)Nc2ccccc2C#N)s1 ZINC000040445539 174265152 /nfs/dbraw/zinc/26/51/52/174265152.db2.gz UMDGZQCOTJTFNW-SNVBAGLBSA-N 0 0 257.362 3.805 10 30 CHEERN CC(C)c1ccccc1NC(=O)C1(C#N)CCCC1 ZINC000044290614 175160409 /nfs/dbraw/zinc/16/04/09/175160409.db2.gz OFQZOVSXKYZFRY-UHFFFAOYSA-N 0 0 256.349 3.832 10 30 CHEERN N#Cc1cccc(Cn2ccnc2-c2cccs2)c1 ZINC000045048364 175297331 /nfs/dbraw/zinc/29/73/31/175297331.db2.gz JNTLXCIIXIRUMN-UHFFFAOYSA-N 0 0 265.341 3.532 10 30 CHEERN Cc1ccc(C(C)(C)C)c(OC[C@@](C)(C#N)NC2CC2)c1 ZINC000045207350 175328910 /nfs/dbraw/zinc/32/89/10/175328910.db2.gz FVZBJSUKSHPOAN-GOSISDBHSA-N 0 0 286.419 3.706 10 30 CHEERN CN(Cc1nc(Cl)ccc1Cl)c1cccc(C#N)c1 ZINC000061951901 175658723 /nfs/dbraw/zinc/65/87/23/175658723.db2.gz VQOKCFGDAYSJFR-UHFFFAOYSA-N 0 0 292.169 3.896 10 30 CHEERN COc1cc(OC)cc(C(=O)/C=C/c2ccccc2)c1 ZINC000072109655 176317274 /nfs/dbraw/zinc/31/72/74/176317274.db2.gz UPKRPKNJCSFWOR-CMDGGOBGSA-N 0 0 268.312 3.600 10 30 CHEERN C=CCc1ccc(O)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000072118463 176319339 /nfs/dbraw/zinc/31/93/39/176319339.db2.gz XOUCGSJOXXNOBT-UHFFFAOYSA-N 0 0 255.273 3.696 10 30 CHEERN N#C[C@H](NC(=O)C[C@H]1CCCCNC1=O)C1CCCCC1 ZINC000329794129 227950264 /nfs/dbraw/zinc/95/02/64/227950264.db2.gz BQFHJVZEUSTILG-KGLIPLIRSA-N 0 0 291.395 3.562 10 30 CHEERN Cc1coc2ccc(NC(=O)N[C@H]3CCC[C@H]3C#N)cc12 ZINC000330162596 228053426 /nfs/dbraw/zinc/05/34/26/228053426.db2.gz UQYYGHMFMRDQMK-FZMZJTMJSA-N 0 0 283.331 3.569 10 30 CHEERN C[C@]1(C(=O)N[C@H]2CCCc3sccc32)CCCNC1=O ZINC000330326246 228147988 /nfs/dbraw/zinc/14/79/88/228147988.db2.gz VCCOUHMOCCZGDS-NHYWBVRUSA-N 0 0 292.404 3.839 10 30 CHEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000188467381 260145001 /nfs/dbraw/zinc/14/50/01/260145001.db2.gz IQQSSVMSFUOVQV-KSSFIOAISA-N 0 0 297.402 3.652 10 30 CHEERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000076992144 260295249 /nfs/dbraw/zinc/29/52/49/260295249.db2.gz YROQTLOGQJZYBG-JQFCIGGWSA-N 0 0 284.403 3.674 10 30 CHEERN C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1ccco1 ZINC000050499250 260690312 /nfs/dbraw/zinc/69/03/12/260690312.db2.gz BQOYUERGVGPFLZ-NSHDSACASA-N 0 0 267.332 3.598 10 30 CHEERN CCC(CC)[C@H]1C[C@]1(C#N)C(=O)OCc1ccccc1 ZINC000021991117 262343640 /nfs/dbraw/zinc/34/36/40/262343640.db2.gz SRJMSACIILKXEW-NVXWUHKLSA-N 0 0 271.360 3.696 10 30 CHEERN Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)COC3)cs1 ZINC000328663843 263835919 /nfs/dbraw/zinc/83/59/19/263835919.db2.gz YEIYRYILYDSRMJ-VIFPVBQESA-N 0 0 288.372 3.548 10 30 CHEERN O=C(C[C@@H]1CCCCC(=O)N1)Nc1scnc1C1CC1 ZINC000328673668 263837268 /nfs/dbraw/zinc/83/72/68/263837268.db2.gz PJEUXCVNBMATJF-JTQLQIEISA-N 0 0 293.392 3.898 10 30 CHEERN CO[C@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000070326330 264235861 /nfs/dbraw/zinc/23/58/61/264235861.db2.gz LCFQUXSVRHSKRF-AAEUAGOBSA-N 0 0 264.756 3.581 10 30 CHEERN C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127849192 264268989 /nfs/dbraw/zinc/26/89/89/264268989.db2.gz CLLNRZYUJASYQN-CABCVRRESA-N 0 0 291.391 3.623 10 30 CHEERN N#Cc1ccc(NCCc2ccc(Br)o2)cc1 ZINC000132128532 264380784 /nfs/dbraw/zinc/38/07/84/264380784.db2.gz MIBRGHSONNPUME-UHFFFAOYSA-N 0 0 291.148 3.568 10 30 CHEERN COc1ccc(F)c(N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000094854315 265263822 /nfs/dbraw/zinc/26/38/22/265263822.db2.gz PQUAGADQNJYXPF-LLVKDONJSA-N 0 0 270.307 3.879 10 30 CHEERN CCOc1cc(C#N)ccc1OCc1ccc(OC)cc1 ZINC000104670439 327721591 /nfs/dbraw/zinc/72/15/91/327721591.db2.gz GEXZJRRRTNNLCN-UHFFFAOYSA-N 0 0 283.327 3.545 10 30 CHEERN C[C@H](NC[C@H](C#N)CCC#N)c1ccc(F)c(Cl)c1 ZINC000112535054 327286255 /nfs/dbraw/zinc/28/62/55/327286255.db2.gz ZDPWKVLETJTWIA-QWRGUYRKSA-N 0 0 279.746 3.573 10 30 CHEERN CC(C)(C)c1csc(CNc2ccc(C#N)cc2)n1 ZINC000104659248 328801088 /nfs/dbraw/zinc/80/10/88/328801088.db2.gz MENRKNBZNOCLOX-UHFFFAOYSA-N 0 0 271.389 3.924 10 30 CHEERN C=CCCCC(=O)N[C@H](C)c1ccccc1Br ZINC000175086449 329161915 /nfs/dbraw/zinc/16/19/15/329161915.db2.gz AOILDRZZAHUNIE-LLVKDONJSA-N 0 0 296.208 3.983 10 30 CHEERN C=CCCCC(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000175655255 329170166 /nfs/dbraw/zinc/17/01/66/329170166.db2.gz JWRFXPGAOIONHA-CYBMUJFWSA-N 0 0 292.448 3.768 10 30 CHEERN Cc1nc([C@@H]2CCC[N@@H+]2CC(C)(C)CCC#N)cs1 ZINC000189939371 329390485 /nfs/dbraw/zinc/39/04/85/329390485.db2.gz JMGGRZUWBQTAQO-AWEZNQCLSA-N 0 0 277.437 3.918 10 30 CHEERN C=CCOCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000301763181 332858821 /nfs/dbraw/zinc/85/88/21/332858821.db2.gz WALROQXDNKCKDV-VIFPVBQESA-N 0 0 292.181 3.986 10 30 CHEERN CCCCCCCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000109681738 329538646 /nfs/dbraw/zinc/53/86/46/329538646.db2.gz ZPOCEPNGOYLSPL-MRXNPFEDSA-N 0 0 291.439 3.716 10 30 CHEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125220854 329579417 /nfs/dbraw/zinc/57/94/17/329579417.db2.gz MEDYYGZAAZBYPV-JJRVBVJISA-N 0 0 287.403 3.722 10 30 CHEERN C=CCCCCC[C@@H](C)[NH2+]C[C@@H](CC(C)C)C(=O)[O-] ZINC000263076447 330042396 /nfs/dbraw/zinc/04/23/96/330042396.db2.gz QRLKRTZVKQMKJC-HUUCEWRRSA-N 0 0 269.429 3.848 10 30 CHEERN C=C(C)CN(CC)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119173251 330370759 /nfs/dbraw/zinc/37/07/59/330370759.db2.gz KMBCRNGPFJLIQH-INIZCTEOSA-N 0 0 290.382 3.811 10 30 CHEERN N#Cc1ccc(-c2cc(C(F)(F)F)c(Cl)nn2)cc1 ZINC000536956864 330383337 /nfs/dbraw/zinc/38/33/37/330383337.db2.gz AMDDFFFAFOMUQT-UHFFFAOYSA-N 0 0 283.640 3.687 10 30 CHEERN CCC1CCC(Nc2c(C#N)nnc3ccccc32)CC1 ZINC000085920218 330492682 /nfs/dbraw/zinc/49/26/82/330492682.db2.gz WGBRTJKOUYYXTF-UHFFFAOYSA-N 0 0 280.375 3.882 10 30 CHEERN C=CC[C@H](C(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000187273225 333169177 /nfs/dbraw/zinc/16/91/77/333169177.db2.gz LBSOAMVFKCNXOK-RDJZCZTQSA-N 0 0 293.366 3.596 10 30 CHEERN CCc1ccc(CNc2cc(C)nc(C)c2C#N)cc1 ZINC000227593418 333286362 /nfs/dbraw/zinc/28/63/62/333286362.db2.gz VCYVAKVDPKHIBE-UHFFFAOYSA-N 0 0 265.360 3.745 10 30 CHEERN CCC[C@H]1C[C@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000231661937 333327002 /nfs/dbraw/zinc/32/70/02/333327002.db2.gz KZIRLYCTWKWFMH-XHDPSFHLSA-N 0 0 251.333 3.707 10 30 CHEERN CCCCC1CCC(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000061888854 333474725 /nfs/dbraw/zinc/47/47/25/333474725.db2.gz CEMSXONXQHNSCT-CKUJCDMFSA-N 0 0 276.424 3.791 10 30 CHEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(-c2ccc(F)cc2)o1 ZINC000061891631 333474982 /nfs/dbraw/zinc/47/49/82/333474982.db2.gz QFVWOOMSSGOKBR-CJNGLKHVSA-N 0 0 284.334 3.868 10 30 CHEERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000246993120 334273486 /nfs/dbraw/zinc/27/34/86/334273486.db2.gz MSAONZMEIYTPDL-JENIJYKNSA-N 0 0 298.430 3.968 10 30 CHEERN CC(C)c1cccc(NCc2cccnc2C#N)c1 ZINC000061657239 519842541 /nfs/dbraw/zinc/84/25/41/519842541.db2.gz IIPOJLUEWBBXNF-UHFFFAOYSA-N 0 0 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N#Cc1ccc(NCCc2ccsc2)c(Cl)c1 ZINC000062791066 526662572 /nfs/dbraw/zinc/66/25/72/526662572.db2.gz JWFROMZQAKNEHM-UHFFFAOYSA-N 0 0 262.765 3.928 10 30 CHEERN N#Cc1ncccc1CNc1ccc(Cl)cc1Cl ZINC000061656893 526790043 /nfs/dbraw/zinc/79/00/43/526790043.db2.gz RGMMQMXTYOWXNN-UHFFFAOYSA-N 0 0 278.142 3.872 10 30 CHEERN N#Cc1sc(-c2ccncc2)c(-c2cccs2)c1N ZINC000052902359 526800085 /nfs/dbraw/zinc/80/00/85/526800085.db2.gz BGTHLEXESHDFIE-UHFFFAOYSA-N 0 0 283.381 3.992 10 30 CHEERN Cc1nc(CNc2c(Cl)cccc2C#N)c(C)s1 ZINC000301830390 526896183 /nfs/dbraw/zinc/89/61/83/526896183.db2.gz HOPNXOFAIXSXQJ-UHFFFAOYSA-N 0 0 277.780 3.897 10 30 CHEERN CC(=O)c1ccc(C#N)cc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000302118490 527232107 /nfs/dbraw/zinc/23/21/07/527232107.db2.gz SMRGZSDHDKCVMA-SJLPKXTDSA-N 0 0 290.366 3.976 10 30 CHEERN CC1(Cc2noc([C@]3(C#N)CC34CCCC4)n2)CCCC1 ZINC000333828638 528009333 /nfs/dbraw/zinc/00/93/33/528009333.db2.gz LEIPNDYFLOTAOJ-QGZVFWFLSA-N 0 0 285.391 3.918 10 30 CHEERN CCCCCCCn1c2ccccc2c2nnc(N)nc21 ZINC000216101127 528138838 /nfs/dbraw/zinc/13/88/38/528138838.db2.gz LRJOQPISGUKHTD-UHFFFAOYSA-N 0 0 283.379 3.532 10 30 CHEERN CCC(CC)c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333887754 528889159 /nfs/dbraw/zinc/88/91/59/528889159.db2.gz YACMNGDARFCQSX-HNNXBMFYSA-N 0 0 259.353 3.699 10 30 CHEERN Cc1cccc(Cl)c1C#CCNC(=O)OC(C)(C)C ZINC000095883616 566878086 /nfs/dbraw/zinc/87/80/86/566878086.db2.gz JFMAUENCKZLCFV-UHFFFAOYSA-N 0 0 279.767 3.525 10 30 CHEERN CCO/C=C/C(=O)c1ccc(Br)cc1Cl ZINC000135054312 567040180 /nfs/dbraw/zinc/04/01/80/567040180.db2.gz SQBRJVQTGILDKS-AATRIKPKSA-N 0 0 289.556 3.835 10 30 CHEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1cc[nH]c1C ZINC000328614550 567120112 /nfs/dbraw/zinc/12/01/12/567120112.db2.gz AISQKGQLVDPCML-LLVKDONJSA-N 0 0 289.404 3.513 10 30 CHEERN N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000061614106 567897083 /nfs/dbraw/zinc/89/70/83/567897083.db2.gz LVMJZQDZYUJADF-CQSZACIVSA-N 0 0 270.719 3.586 10 30 CHEERN SCc1cc(-c2cccc(Br)c2)on1 ZINC000725253948 567912080 /nfs/dbraw/zinc/91/20/80/567912080.db2.gz TXPFVXZOISKAHV-UHFFFAOYSA-N 0 0 270.151 3.534 10 30 CHEERN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000328612239 567931686 /nfs/dbraw/zinc/93/16/86/567931686.db2.gz OCQTWYLKNUCLNZ-BHPKHCPMSA-N 0 0 291.391 3.791 10 30 CHEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1ccccc1F ZINC000588450088 1118792651 /nfs/dbraw/zinc/79/26/51/1118792651.db2.gz PQNZLNMUOQXSRI-CLFYSBASSA-N 0 0 285.274 3.938 10 30 CHEERN Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)o1 ZINC000588450094 1118792811 /nfs/dbraw/zinc/79/28/11/1118792811.db2.gz RGIPEDXVKMBIHA-ALCCZGGFSA-N 0 0 271.272 3.701 10 30 CHEERN Oc1ccccc1/C=N\Cc1nc2ccccc2n1C1CC1 ZINC000588451438 1118797183 /nfs/dbraw/zinc/79/71/83/1118797183.db2.gz QXQMEIVIIRSAAD-ODLFYWEKSA-N 0 0 291.354 3.696 10 30 CHEERN CC[C@@H](CC#N)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000588558060 1119258400 /nfs/dbraw/zinc/25/84/00/1119258400.db2.gz DUJIYBUJJCOSCC-ZADCQDASSA-N 0 0 292.404 3.689 10 30 CHEERN Cc1nc(CON=Cc2ccc(F)cc2)nc2ccccc12 ZINC000588600269 1119531453 /nfs/dbraw/zinc/53/14/53/1119531453.db2.gz HEXKEWWMMCULMR-UHFFFAOYSA-N 0 0 295.317 3.628 10 30 CHEERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2ccc(C#N)cn2)o1 ZINC000301462717 1120138002 /nfs/dbraw/zinc/13/80/02/1120138002.db2.gz VGERNUCQBQPZSB-SWLSCSKDSA-N 0 0 281.359 3.832 10 30 CHEERN C[C@@H]1CCCC[C@@H]1OCc1noc(-c2cccc(C#N)c2)n1 ZINC000329548488 1120570647 /nfs/dbraw/zinc/57/06/47/1120570647.db2.gz DZUSRSQETFRXHX-DOMZBBRYSA-N 0 0 297.358 3.704 10 30 CHEERN C#CC[C@@H](OC(=O)c1ccc(CC)cc1)c1ccccn1 ZINC000105549384 1123056161 /nfs/dbraw/zinc/05/61/61/1123056161.db2.gz WLGZEHGMDNRKLH-QGZVFWFLSA-N 0 0 279.339 3.565 10 30 CHEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1CC12CCCCC2 ZINC000328673848 1123107943 /nfs/dbraw/zinc/10/79/43/1123107943.db2.gz PMOGJOLTKOWFAT-STQMWFEESA-N 0 0 278.396 3.955 10 30 CHEERN C[C@]1(CNC(=O)C[C@H]2CCCCC(=O)N2)CCCS1 ZINC000328634146 1123108010 /nfs/dbraw/zinc/10/80/10/1123108010.db2.gz BHUGEBBWAPRPNU-BXUZGUMPSA-N 0 0 284.425 3.518 10 30 CHEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H]1CC=CCC1 ZINC000328682022 1123108560 /nfs/dbraw/zinc/10/85/60/1123108560.db2.gz VKXVIKAJVLSWCI-OLZOCXBDSA-N 0 0 264.369 3.588 10 30 CHEERN C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCCCNC2=O)[C@H]1C ZINC000329472932 1123614250 /nfs/dbraw/zinc/61/42/50/1123614250.db2.gz OLVGGWFHDSLOJX-RFGFWPKPSA-N 0 0 280.412 3.914 10 30 CHEERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000329915740 1123657710 /nfs/dbraw/zinc/65/77/10/1123657710.db2.gz YOUQDXJTQZENHB-IWSPIJDZSA-N 0 0 298.795 3.580 10 30 CHEERN O=C(Nc1ccc2nc(C3CC3)oc2c1)N1C[C@@H]2CCC[C@@H]21 ZINC000329920952 1123658223 /nfs/dbraw/zinc/65/82/23/1123658223.db2.gz HFRDKEJIFBZQCI-FZMZJTMJSA-N 0 0 297.358 3.735 10 30 CHEERN O=C(Nc1ccc2nc(C3CC3)oc2c1)N1C[C@H]2CCC[C@@H]21 ZINC000329920953 1123658299 /nfs/dbraw/zinc/65/82/99/1123658299.db2.gz HFRDKEJIFBZQCI-RISCZKNCSA-N 0 0 297.358 3.735 10 30 CHEERN O=C(Nc1ccc2nc(C3CC3)oc2c1)N1C[C@@H]2CCC[C@H]21 ZINC000329920954 1123658356 /nfs/dbraw/zinc/65/83/56/1123658356.db2.gz HFRDKEJIFBZQCI-SMDDNHRTSA-N 0 0 297.358 3.735 10 30 CHEERN N#Cc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000000579412 1129764877 /nfs/dbraw/zinc/76/48/77/1129764877.db2.gz NXHMBRHOFQIEDV-JXMROGBWSA-N 0 0 282.730 3.864 10 30 CHEERN COc1cccc(C(=O)/C=C/c2ccc(C)cc2)c1OC ZINC000095936574 185034012 /nfs/dbraw/zinc/03/40/12/185034012.db2.gz KUWLJZSLNWXCDH-VAWYXSNFSA-N 0 0 282.339 3.908 10 30 CHEERN CCCCCCCCCCCC(=O)OCCCO ZINC000100302676 185711507 /nfs/dbraw/zinc/71/15/07/185711507.db2.gz CVYRIYSTCBFCIE-UHFFFAOYSA-N 0 0 258.402 3.833 10 30 CHEERN O=C1OCc2c1cccc2/N=C/c1ccc(Cl)cc1 ZINC000091351733 180137921 /nfs/dbraw/zinc/13/79/21/180137921.db2.gz MXKTVOYFKRKHFQ-CAOOACKPSA-N 0 0 271.703 3.761 10 30 CHEERN CC[C@@H]1CCCC[C@H]1Nc1nc(C)cc(C)c1C#N ZINC000110255600 186288942 /nfs/dbraw/zinc/28/89/42/186288942.db2.gz WOPALQKOFWSIET-UKRRQHHQSA-N 0 0 257.381 3.951 10 30 CHEERN C[C@@H](NCCC#N)c1cc2cc(Br)ccc2o1 ZINC000020199840 184535415 /nfs/dbraw/zinc/53/54/15/184535415.db2.gz OYWNYHKEPDHFEK-SECBINFHSA-N 0 0 293.164 3.760 10 30 CHEERN N#Cc1ccc(-c2cccc(Br)c2)cc1 ZINC000001260198 169693378 /nfs/dbraw/zinc/69/33/78/169693378.db2.gz ZGHLPFNAHBELBC-UHFFFAOYSA-N 0 0 258.118 3.988 10 30 CHEERN C[C@@H]1c2ccsc2CCN1c1ccc(C#N)cc1F ZINC000042780554 134896854 /nfs/dbraw/zinc/89/68/54/134896854.db2.gz OMBGWYHGAITVMV-SNVBAGLBSA-N 0 0 272.348 3.883 10 30 CHEERN CCOc1cc(C=NNc2cccc(Cl)c2)ccc1O ZINC000004924049 170041781 /nfs/dbraw/zinc/04/17/81/170041781.db2.gz WEZWFHWJPALEFY-LICLKQGHSA-N 0 0 290.750 3.890 10 30 CHEERN Cc1ccc(NN=Cc2ccc(O)cc2O)cc1Cl ZINC000005163473 170072757 /nfs/dbraw/zinc/07/27/57/170072757.db2.gz FNPXGIXQIRZOCP-LZYBPNLTSA-N 0 0 276.723 3.506 10 30 CHEERN C[C@@H](Oc1ccccc1C#N)C(=O)c1ccc(Cl)cc1 ZINC000005216066 170077178 /nfs/dbraw/zinc/07/71/78/170077178.db2.gz WHPGZZCYKQJUQS-LLVKDONJSA-N 0 0 285.730 3.862 10 30 CHEERN N#CCCN(CCc1ccccc1)c1ccccc1 ZINC000005421398 170097932 /nfs/dbraw/zinc/09/79/32/170097932.db2.gz ACCLIXSHFMDCLV-UHFFFAOYSA-N 0 0 250.345 3.649 10 30 CHEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1 ZINC000006124393 170178336 /nfs/dbraw/zinc/17/83/36/170178336.db2.gz QPNIHQSUQBGJIF-LLVKDONJSA-N 0 0 285.730 3.862 10 30 CHEERN O=[N+]([O-])c1ccccc1C=NNc1ccc(Cl)cc1 ZINC000006672473 170224980 /nfs/dbraw/zinc/22/49/80/170224980.db2.gz MMKYVBUVRIQKCH-OQLLNIDSSA-N 0 0 275.695 3.694 10 30 CHEERN CCOc1ccccc1C=NNc1ccc(C)cc1 ZINC000007931028 170308447 /nfs/dbraw/zinc/30/84/47/170308447.db2.gz UQYKPKNGHKLVLB-SFQUDFHCSA-N 0 0 254.333 3.840 10 30 CHEERN CCOc1cccc(C[C@@](C)(C=O)c2cccs2)c1 ZINC000011797346 170441491 /nfs/dbraw/zinc/44/14/91/170441491.db2.gz SRXQWTUSFDJQFS-INIZCTEOSA-N 0 0 274.385 3.846 10 30 CHEERN Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(C#N)cc1 ZINC000015512171 170669546 /nfs/dbraw/zinc/66/95/46/170669546.db2.gz CUHGMPFBZBVGSZ-UHFFFAOYSA-N 0 0 275.311 3.600 10 30 CHEERN Cc1cc(C=O)cc(C)c1OCc1ccccc1C#N ZINC000015552553 170670393 /nfs/dbraw/zinc/67/03/93/170670393.db2.gz NRXPWQZKWZSDDQ-UHFFFAOYSA-N 0 0 265.312 3.567 10 30 CHEERN N#Cc1ccccc1COCc1ccccc1Cl ZINC000019804923 170874016 /nfs/dbraw/zinc/87/40/16/170874016.db2.gz NBHYQNXOWCBVRT-UHFFFAOYSA-N 0 0 257.720 3.928 10 30 CHEERN N#CCCN(Cc1ccc(Cl)nc1)c1ccccc1 ZINC000019833413 170883203 /nfs/dbraw/zinc/88/32/03/170883203.db2.gz UIYYYDHXOHXWGE-UHFFFAOYSA-N 0 0 271.751 3.655 10 30 CHEERN COc1ccc([C@H](C)Nc2cccc(C#N)c2)c(OC)c1 ZINC000019922342 170929245 /nfs/dbraw/zinc/92/92/45/170929245.db2.gz LLDKIGBGYFMXHQ-LBPRGKRZSA-N 0 0 282.343 3.749 10 30 CHEERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019991060 170962703 /nfs/dbraw/zinc/96/27/03/170962703.db2.gz MMGMHBMHXXVMPP-RCBQFDQVSA-N 0 0 290.407 3.621 10 30 CHEERN COc1ccc([C@H](C#N)NC2CCCCCC2)cc1OC ZINC000020175544 171042022 /nfs/dbraw/zinc/04/20/22/171042022.db2.gz BWGVGBOHDUAXFV-HNNXBMFYSA-N 0 0 288.391 3.581 10 30 CHEERN CCCOc1cccc([C@@H](C#N)NC2CCCC2)c1 ZINC000020176650 171042220 /nfs/dbraw/zinc/04/22/20/171042220.db2.gz OCVJKUIHIWJDQI-MRXNPFEDSA-N 0 0 258.365 3.572 10 30 CHEERN CC(C)CN[C@@H](C#N)c1ccccc1C(F)(F)F ZINC000020176317 171042311 /nfs/dbraw/zinc/04/23/11/171042311.db2.gz GCPDCIJVFWKMJO-LBPRGKRZSA-N 0 0 256.271 3.516 10 30 CHEERN N#C[C@@H](NC1CCCCC1)c1cccc(Br)c1 ZINC000020176165 171042379 /nfs/dbraw/zinc/04/23/79/171042379.db2.gz AGCNTUSKLXLRMO-CQSZACIVSA-N 0 0 293.208 3.936 10 30 CHEERN N#C[C@H](NC1CCCC1)c1ccc(Br)cc1 ZINC000020176247 171042462 /nfs/dbraw/zinc/04/24/62/171042462.db2.gz IVVFOKPDDIFNHA-ZDUSSCGKSA-N 0 0 279.181 3.546 10 30 CHEERN N#Cc1ccc(Nc2ccc(F)cc2Br)nc1 ZINC000020430947 171195409 /nfs/dbraw/zinc/19/54/09/171195409.db2.gz AIOXUNRMAPNCAI-UHFFFAOYSA-N 0 0 292.111 3.598 10 30 CHEERN N#Cc1cccnc1Nc1ccc(F)cc1Br ZINC000020430946 171195725 /nfs/dbraw/zinc/19/57/25/171195725.db2.gz SGQQXZJFHCXUDK-UHFFFAOYSA-N 0 0 292.111 3.598 10 30 CHEERN N/C(CCCOc1c(Cl)cc(Cl)cc1Cl)=N\O ZINC000020518853 171233162 /nfs/dbraw/zinc/23/31/62/171233162.db2.gz UVYDHWOAUALKIV-UHFFFAOYSA-N 0 0 297.569 3.552 10 30 CHEERN Cc1cc(C)c(C#N)c(Sc2ccc(F)cc2)n1 ZINC000022801673 171399615 /nfs/dbraw/zinc/39/96/15/171399615.db2.gz AZXPJXPRICCCMW-UHFFFAOYSA-N 0 0 258.321 3.860 10 30 CHEERN COc1ccc(Cl)cc1COc1ccc(CC#N)cc1 ZINC000035222015 172064700 /nfs/dbraw/zinc/06/47/00/172064700.db2.gz DVPKYXUGFPHNRJ-UHFFFAOYSA-N 0 0 287.746 3.994 10 30 CHEERN N#Cc1ccccc1NC1C2CC3CC(C2)CC1C3 ZINC000035249033 172079614 /nfs/dbraw/zinc/07/96/14/172079614.db2.gz YOMFHPPKSZSLCX-UHFFFAOYSA-N 0 0 252.361 3.795 10 30 CHEERN N#C[C@@H]1CCCC[C@H]1Sc1ccc([N+](=O)[O-])cc1 ZINC000035286517 172104291 /nfs/dbraw/zinc/10/42/91/172104291.db2.gz GKHSSDLYWNZFOK-GXFFZTMASA-N 0 0 262.334 3.769 10 30 CHEERN CSc1cccc(NC2=NC(C)(C)CS2)c1 ZINC000035294324 172106129 /nfs/dbraw/zinc/10/61/29/172106129.db2.gz PLKHXQGWXITSIN-UHFFFAOYSA-N 0 0 252.408 3.511 10 30 CHEERN C[C@H](O)c1c(F)cccc1Oc1ccccc1C#N ZINC000035631984 172314226 /nfs/dbraw/zinc/31/42/26/172314226.db2.gz VWWIANNHCUXLRH-JTQLQIEISA-N 0 0 257.264 3.543 10 30 CHEERN C[C@@H](O)c1cc(F)ccc1Oc1ccc(C#N)cc1 ZINC000035632315 172314833 /nfs/dbraw/zinc/31/48/33/172314833.db2.gz QNKIHRVWQYVOHU-SNVBAGLBSA-N 0 0 257.264 3.543 10 30 CHEERN N#Cc1ccc(Oc2ccccc2Br)c(N)c1 ZINC000035674989 172345375 /nfs/dbraw/zinc/34/53/75/172345375.db2.gz CZXVWBXFFBDLOK-UHFFFAOYSA-N 0 0 289.132 3.695 10 30 CHEERN C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@@H]1CCCO1 ZINC000035735016 172386626 /nfs/dbraw/zinc/38/66/26/172386626.db2.gz YXDUAXIZICSTKL-ZANVPECISA-N 0 0 284.281 3.556 10 30 CHEERN N#C[C@@H](C(=O)c1ccccc1F)c1cccc(Cl)c1 ZINC000037344557 173143438 /nfs/dbraw/zinc/14/34/38/173143438.db2.gz DRSLDPWMSXOIHZ-CYBMUJFWSA-N 0 0 273.694 3.969 10 30 CHEERN COc1ccc(Cl)cc1[C@H](C#N)C(=O)CC(C)C ZINC000037347204 173143690 /nfs/dbraw/zinc/14/36/90/173143690.db2.gz MJKKJRRBGVLOGP-LBPRGKRZSA-N 0 0 265.740 3.571 10 30 CHEERN COc1ccc(Cl)cc1[C@H](C#N)C(=O)c1ccsc1 ZINC000037347269 173144374 /nfs/dbraw/zinc/14/43/74/173144374.db2.gz PXLLXHFJLPHJPR-LBPRGKRZSA-N 0 0 291.759 3.900 10 30 CHEERN 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CCOC(=O)CC1([C@H]2CO2)CCC(C(C)(C)CC)CC1 ZINC000675053247 566934047 /nfs/dbraw/zinc/93/40/47/566934047.db2.gz MBKRSJRBKRPGBU-XOYHFGRZSA-N 0 0 282.424 3.951 10 30 CHEERN O=C1C=Cc2ccccc2C1=NNc1cccc(Cl)c1 ZINC000013466762 567866422 /nfs/dbraw/zinc/86/64/22/567866422.db2.gz KHLGXFNCQOCEDF-MNDPQUGUSA-N 0 0 282.730 3.752 10 30 CHEERN C[C@H](C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)n1cccc1 ZINC000328615156 567933178 /nfs/dbraw/zinc/93/31/78/567933178.db2.gz XWIAEVYEWKMAJC-DJIMGWMZSA-N 0 0 298.386 3.783 10 30 CHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C(C1CCC1)C1CCC1 ZINC000328611340 1118048441 /nfs/dbraw/zinc/04/84/41/1118048441.db2.gz OJNXJSHUIPGPAO-KBPBESRZSA-N 0 0 260.381 3.852 10 30 CHEERN Cc1nc([C@@H](C)NC(=O)NCC2(C3CC3)CCC2)cs1 ZINC000328727337 1118451088 /nfs/dbraw/zinc/45/10/88/1118451088.db2.gz VCZUEBFNFVAWKG-SNVBAGLBSA-N 0 0 293.436 3.596 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1cc(O)ccc1O ZINC000588423157 1118661422 /nfs/dbraw/zinc/66/14/22/1118661422.db2.gz HPSVHNOBMWPHFU-XQRVVYSFSA-N 0 0 291.306 3.542 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1cc(F)ccc1[O-] ZINC000588423262 1118662079 /nfs/dbraw/zinc/66/20/79/1118662079.db2.gz XAHRBIRWCRFWGL-XQRVVYSFSA-N 0 0 293.297 3.976 10 30 CHEERN C=C[C@@H](C)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000588539895 1119154807 /nfs/dbraw/zinc/15/48/07/1119154807.db2.gz KJMGHPWLCFFNFK-GQYWMQPJSA-N 0 0 265.378 3.572 10 30 CHEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1cccs1 ZINC000588551984 1119226678 /nfs/dbraw/zinc/22/66/78/1119226678.db2.gz KCJYLELODZYWPH-LZNQSLFOSA-N 0 0 280.389 3.533 10 30 CHEERN CC[C@H](CC#N)OC(=O)/C(C)=C\c1cccc(Cl)c1 ZINC000588557961 1119258555 /nfs/dbraw/zinc/25/85/55/1119258555.db2.gz QUMMDKVYFMZUMF-RBJHHQRMSA-N 0 0 277.751 3.979 10 30 CHEERN O=C(/C=C\c1cocn1)c1ccccc1C(F)(F)F ZINC000588578386 1119375920 /nfs/dbraw/zinc/37/59/20/1119375920.db2.gz URGUTEFAKATDSR-WAYWQWQTSA-N 0 0 267.206 3.590 10 30 CHEERN O=C(/C=C\c1cocn1)c1cc(Cl)ccc1OC(F)F ZINC000588579540 1119379506 /nfs/dbraw/zinc/37/95/06/1119379506.db2.gz VCHHAFPJTVBRPC-IHWYPQMZSA-N 0 0 299.660 3.826 10 30 CHEERN Cc1ccc(C=NOCc2nc(C)c3ccccc3n2)cc1 ZINC000588600401 1119531419 /nfs/dbraw/zinc/53/14/19/1119531419.db2.gz YONBYWKXCJFZNV-UHFFFAOYSA-N 0 0 291.354 3.797 10 30 CHEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1csc2ccccc12 ZINC000332891690 1121480229 /nfs/dbraw/zinc/48/02/29/1121480229.db2.gz KHUDTOAAKRBVCH-PWSUYJOCSA-N 0 0 285.372 3.715 10 30 CHEERN CC[C@H](CC(=O)[C@@H](C#N)c1nc(C)cs1)C(C)C ZINC000105753950 1123066397 /nfs/dbraw/zinc/06/63/97/1123066397.db2.gz RZAJYTAEYGGYIY-VXGBXAGGSA-N 0 0 264.394 3.700 10 30 CHEERN CCCCCCCCC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177776783 1125280103 /nfs/dbraw/zinc/28/01/03/1125280103.db2.gz MHBQUFGULNGQAI-INIZCTEOSA-N 0 0 291.439 3.625 10 30 CHEERN C=CCCC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191207410 1125323601 /nfs/dbraw/zinc/32/36/01/1125323601.db2.gz YTEJWJRUVOVOQA-GFCCVEGCSA-N 0 0 279.330 3.637 10 30 CHEERN C#Cc1cccc(N(C)C(=O)C(C)(C)c2ccccc2F)c1 ZINC000103030134 1129685029 /nfs/dbraw/zinc/68/50/29/1129685029.db2.gz GSMGIWWUWXBLSG-UHFFFAOYSA-N 0 0 295.357 3.748 10 30 CHEERN N#Cc1ccc2cc(C(F)(F)F)c(Cl)cc2n1 ZINC000095835792 185029573 /nfs/dbraw/zinc/02/95/73/185029573.db2.gz FGOXNRCDKVKFGJ-UHFFFAOYSA-N 0 0 256.614 3.779 10 30 CHEERN N#CC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000095835405 185030019 /nfs/dbraw/zinc/03/00/19/185030019.db2.gz BORHVKAGIJEDOP-UHFFFAOYSA-N 0 0 293.366 3.837 10 30 CHEERN O=CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095938098 185034977 /nfs/dbraw/zinc/03/49/77/185034977.db2.gz UBMCKZPXCAWNOH-UHFFFAOYSA-N 0 0 270.172 3.856 10 30 CHEERN CC(C)(C)OC(=O)N=CNc1cc2ccc(O)cc2s1 ZINC000095938169 185035162 /nfs/dbraw/zinc/03/51/62/185035162.db2.gz PTPWXXJLSZPNMG-UHFFFAOYSA-N 0 0 292.360 3.791 10 30 CHEERN Cc1cc2c(Cl)c(C#N)cnc2cc1OC(C)C ZINC000095937912 185035315 /nfs/dbraw/zinc/03/53/15/185035315.db2.gz JEKBVFMHZQPBNE-UHFFFAOYSA-N 0 0 260.724 3.856 10 30 CHEERN CCN(CC)c1cc(C)c2ncc(C#N)c(Cl)c2c1 ZINC000095937906 185035456 /nfs/dbraw/zinc/03/54/56/185035456.db2.gz VDEFGIDDJHLHBD-UHFFFAOYSA-N 0 0 273.767 3.915 10 30 CHEERN CCO/N=C(/C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000096926537 185130978 /nfs/dbraw/zinc/13/09/78/185130978.db2.gz JEJMYCISDAJAKF-UYRXBGFRSA-N 0 0 279.343 3.786 10 30 CHEERN N#Cc1ccccc1NCc1cccc(F)c1Cl ZINC000083442272 178455620 /nfs/dbraw/zinc/45/56/20/178455620.db2.gz QCHUNVUOQNDBPP-UHFFFAOYSA-N 0 0 260.699 3.963 10 30 CHEERN CCCCCCC[C@](C)(Nc1ccccc1)C(N)=O ZINC000103071117 185806342 /nfs/dbraw/zinc/80/63/42/185806342.db2.gz MKVUHGAGNFYPIW-INIZCTEOSA-N 0 0 262.397 3.703 10 30 CHEERN CC(C)(C#N)c1c(Cl)cccc1Br ZINC000091305995 180131465 /nfs/dbraw/zinc/13/14/65/180131465.db2.gz NJRVSOXLVKIZSX-UHFFFAOYSA-N 0 0 258.546 3.904 10 30 CHEERN CO/C(=N/Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000109210860 186246214 /nfs/dbraw/zinc/24/62/14/186246214.db2.gz FMYWSIKFECHZDS-CCEZHUSRSA-N 0 0 288.328 3.695 10 30 CHEERN CCCCCCC[NH+]1CCC(CCC)(C(=O)[O-])CC1 ZINC000110459196 186296819 /nfs/dbraw/zinc/29/68/19/186296819.db2.gz BGAHMYOCWKXXAF-UHFFFAOYSA-N 0 0 269.429 3.924 10 30 CHEERN O=C(/C=C/c1ccc(Cl)cc1)[C@]12CCCC[C@H]1O2 ZINC000000163749 169559826 /nfs/dbraw/zinc/55/98/26/169559826.db2.gz DZUGPBOOSZGKFQ-VOTDVEDPSA-N 0 0 262.736 3.634 10 30 CHEERN O=C(/C=C/c1ccoc1)c1cccc(OC(F)F)c1 ZINC000035679231 256778211 /nfs/dbraw/zinc/77/82/11/256778211.db2.gz JKZABLNTWNKWGE-SNAWJCMRSA-N 0 0 264.227 3.777 10 30 CHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000061889425 262404976 /nfs/dbraw/zinc/40/49/76/262404976.db2.gz GZGIIOQJXXNKKS-GZMMTYOYSA-N 0 0 298.173 3.807 10 30 CHEERN COCc1cc(C)nc(Sc2ccccc2)c1C#N ZINC000003171550 169864625 /nfs/dbraw/zinc/86/46/25/169864625.db2.gz PGMFZVZIKMXIQB-UHFFFAOYSA-N 0 0 270.357 3.559 10 30 CHEERN COc1ccc(O)c(C=NNc2ccc(C)c(Cl)c2)c1 ZINC000004924584 170041749 /nfs/dbraw/zinc/04/17/49/170041749.db2.gz MGSXNIKSDFXQCE-RQZCQDPDSA-N 0 0 290.750 3.809 10 30 CHEERN Cc1ccc(C[C@@](C#N)(c2ccccc2)c2cnccn2)cc1 ZINC000005414059 170096525 /nfs/dbraw/zinc/09/65/25/170096525.db2.gz IPUVZLFVVVQYPC-HXUWFJFHSA-N 0 0 299.377 3.837 10 30 CHEERN O=[N+]([O-])c1ccc(F)c(/N=C/c2c[nH]c3ccccc23)c1 ZINC000005604860 170118830 /nfs/dbraw/zinc/11/88/30/170118830.db2.gz FEUPYXINNDJKTN-GIJQJNRQSA-N 0 0 283.262 3.966 10 30 CHEERN C=CC[C@H]1C(=O)Nc2ccccc2N=C1c1ccccc1 ZINC000005639033 170123137 /nfs/dbraw/zinc/12/31/37/170123137.db2.gz GWZMKGAIKNHGRK-CQSZACIVSA-N 0 0 276.339 3.952 10 30 CHEERN CC(C)Oc1ccccc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000005785962 170140402 /nfs/dbraw/zinc/14/04/02/170140402.db2.gz KHEBKOCSOUDFRV-GZTJUZNOSA-N 0 0 299.330 3.828 10 30 CHEERN CCCOc1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000005864692 170148634 /nfs/dbraw/zinc/14/86/34/170148634.db2.gz SXVUOEGUPWSLTD-UHFFFAOYSA-N 0 0 280.327 3.599 10 30 CHEERN Fc1cc(F)c(F)c(N=NCc2cccs2)c1F ZINC000005945293 170160521 /nfs/dbraw/zinc/16/05/21/170160521.db2.gz JAJCXQCQUWODEG-FZSIALSZSA-N 0 0 274.242 3.751 10 30 CHEERN O=C1C=Cc2c3cc4ccccc4cc3ccc2C1=O ZINC000006118874 170177209 /nfs/dbraw/zinc/17/72/09/170177209.db2.gz DABBKMJGXBSIAY-UHFFFAOYSA-N 0 0 258.276 3.772 10 30 CHEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N/C(=O)COc1ccccc1)C2 ZINC000006394758 170198120 /nfs/dbraw/zinc/19/81/20/170198120.db2.gz HFQDCWAOOGWEBF-HHGQUUIGSA-N 0 0 285.387 3.879 10 30 CHEERN CCCC/C(C)=N/NC(=S)Nc1ccc(C)cc1 ZINC000007010771 170262319 /nfs/dbraw/zinc/26/23/19/170262319.db2.gz YMIWXVHPTKHDNN-FOWTUZBSSA-N 0 0 263.410 3.848 10 30 CHEERN O=C(/C=C/c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000007135657 170268506 /nfs/dbraw/zinc/26/85/06/170268506.db2.gz MQLJEEGVQCVYCI-JXMROGBWSA-N 0 0 266.275 3.598 10 30 CHEERN Cc1cc(Br)ccc1Nc1ncccc1C#N ZINC000019473613 170805831 /nfs/dbraw/zinc/80/58/31/170805831.db2.gz XKGVSJIVPLLEJI-UHFFFAOYSA-N 0 0 288.148 3.768 10 30 CHEERN C/C(=N\O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000019809024 170877873 /nfs/dbraw/zinc/87/78/73/170877873.db2.gz CWPUBTQJXLOATA-CPNJWEJPSA-N 0 0 282.343 3.754 10 30 CHEERN N#C[C@@H](NCc1ccccc1)c1ccccc1Cl ZINC000020173710 171041520 /nfs/dbraw/zinc/04/15/20/171041520.db2.gz UWTPYAZFUPAZOM-OAHLLOKOSA-N 0 0 256.736 3.694 10 30 CHEERN N#Cc1ccc(F)c(COc2cccc3cccnc32)c1 ZINC000020296958 171137108 /nfs/dbraw/zinc/13/71/08/171137108.db2.gz RMFJVXXRDIVIOL-UHFFFAOYSA-N 0 0 278.286 3.825 10 30 CHEERN CCCN[C@@H](C#N)c1ccc(-c2ccccc2)cc1 ZINC000020380090 171171890 /nfs/dbraw/zinc/17/18/90/171171890.db2.gz PFJVEUWTJOQQTJ-KRWDZBQOSA-N 0 0 250.345 3.918 10 30 CHEERN C[C@@H](CCc1ccccc1)Nc1cccc(C#N)c1 ZINC000021030250 171291497 /nfs/dbraw/zinc/29/14/97/171291497.db2.gz XKSQNTHCINBRAH-AWEZNQCLSA-N 0 0 250.345 3.991 10 30 CHEERN COc1ccc(N[C@H](CC#N)c2ccccc2)cc1 ZINC000032249421 171721763 /nfs/dbraw/zinc/72/17/63/171721763.db2.gz COOWZLRCMKWKGI-MRXNPFEDSA-N 0 0 252.317 3.762 10 30 CHEERN CCOc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000033468295 171805104 /nfs/dbraw/zinc/80/51/04/171805104.db2.gz LRMRSILLTCIQHI-SXGWCWSVSA-N 0 0 284.286 3.841 10 30 CHEERN CCOc1ccccc1O[C@H](c1ccccc1)[C@@H]1CO1 ZINC000034068546 171830514 /nfs/dbraw/zinc/83/05/14/171830514.db2.gz ZQYWPQIIGBBDNY-DLBZAZTESA-N 0 0 270.328 3.604 10 30 CHEERN COc1cc(/C=N/c2ccc(C)cc2)cc(OC)c1OC ZINC000034622642 171846234 /nfs/dbraw/zinc/84/62/34/171846234.db2.gz RNRJWKBMBSZXOF-WOJGMQOQSA-N 0 0 285.343 3.771 10 30 CHEERN N#Cc1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000035286510 172104562 /nfs/dbraw/zinc/10/45/62/172104562.db2.gz HJSYZAWBXPDYCO-UHFFFAOYSA-N 0 0 256.286 3.618 10 30 CHEERN CC[C@@H]1CSC(Nc2ccc(F)cc2Cl)=N1 ZINC000035295251 172107362 /nfs/dbraw/zinc/10/73/62/172107362.db2.gz QGRPLAKTJZZOII-MRVPVSSYSA-N 0 0 258.749 3.582 10 30 CHEERN C#Cc1cccc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000035628453 172307392 /nfs/dbraw/zinc/30/73/92/172307392.db2.gz CQTYYFWFFVLNIK-CYBMUJFWSA-N 0 0 251.329 3.855 10 30 CHEERN Cc1ccc(Sc2ccc(C#N)cc2N)cc1C ZINC000035675147 172345432 /nfs/dbraw/zinc/34/54/32/172345432.db2.gz FFBLODJJNGCLCP-UHFFFAOYSA-N 0 0 254.358 3.909 10 30 CHEERN C[C@H](Nc1ccc(CC#N)cc1)c1ccc(O)cc1 ZINC000037071412 172932187 /nfs/dbraw/zinc/93/21/87/172932187.db2.gz JKJNXDFFPPIKFX-LBPRGKRZSA-N 0 0 252.317 3.631 10 30 CHEERN CC(C)(C)Sc1ccc(C(F)(F)F)cc1/C(N)=N/O ZINC000037334753 173135210 /nfs/dbraw/zinc/13/52/10/173135210.db2.gz GXARMLFCMQWHIT-UHFFFAOYSA-N 0 0 292.326 3.691 10 30 CHEERN N#Cc1cc(C(F)(F)F)ccc1Oc1cccnc1 ZINC000037334144 173135691 /nfs/dbraw/zinc/13/56/91/173135691.db2.gz SQAPMWUISOEFCR-UHFFFAOYSA-N 0 0 264.206 3.764 10 30 CHEERN N#CC(C(=O)C1CCCC1)c1c(F)cccc1Cl ZINC000037344765 173143049 /nfs/dbraw/zinc/14/30/49/173143049.db2.gz HQGZTCYYCOBICG-SNVBAGLBSA-N 0 0 265.715 3.846 10 30 CHEERN N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000037346870 173143720 /nfs/dbraw/zinc/14/37/20/173143720.db2.gz MFRRCGUGIDFSCE-CQSZACIVSA-N 0 0 273.694 3.969 10 30 CHEERN Nc1cccc(C#Cc2ccc(SC(F)F)cc2)c1 ZINC000037547780 173264176 /nfs/dbraw/zinc/26/41/76/173264176.db2.gz HGOYDNUALNLRRZ-UHFFFAOYSA-N 0 0 275.323 3.983 10 30 CHEERN N#C[C@H](Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000037937229 173877349 /nfs/dbraw/zinc/87/73/49/173877349.db2.gz TXSLMCNRGWFNAA-HNNXBMFYSA-N 0 0 256.736 3.887 10 30 CHEERN CC(C)CN[C@@]1(C#N)CCC(C)(C)c2ccccc21 ZINC000037939255 173879129 /nfs/dbraw/zinc/87/91/29/173879129.db2.gz HWNPEZHWKQPMQV-QGZVFWFLSA-N 0 0 256.393 3.722 10 30 CHEERN CC[C@H](C)N[C@@H](C#N)c1ccc(C(F)(F)F)cc1 ZINC000038064595 174075145 /nfs/dbraw/zinc/07/51/45/174075145.db2.gz HYIKOFKBVINNNB-CABZTGNLSA-N 0 0 256.271 3.658 10 30 CHEERN CC[C@H](C)N[C@H](C#N)c1ccccc1OC(F)(F)F ZINC000038064143 174075390 /nfs/dbraw/zinc/07/53/90/174075390.db2.gz PTLIPYSDOLOUAN-GXSJLCMTSA-N 0 0 272.270 3.538 10 30 CHEERN C[C@](C#N)(CCc1ccccc1)N1CCCCCC1 ZINC000038086224 174096794 /nfs/dbraw/zinc/09/67/94/174096794.db2.gz RGGXSKYRALQHCA-QGZVFWFLSA-N 0 0 256.393 3.777 10 30 CHEERN CCOc1cccc([C@@H](C#N)N2CCCCCC2)c1 ZINC000038086304 174097424 /nfs/dbraw/zinc/09/74/24/174097424.db2.gz SIOIZVTYSHITON-MRXNPFEDSA-N 0 0 258.365 3.526 10 30 CHEERN C=CC[C@H](Nc1ccccc1C(=O)OC)c1ccccn1 ZINC000040176365 174201750 /nfs/dbraw/zinc/20/17/50/174201750.db2.gz BOBUSNBIKPLROS-INIZCTEOSA-N 0 0 282.343 3.598 10 30 CHEERN 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COc1cccc(C=NNc2ccc(Cl)cc2)c1 ZINC000005158769 170072060 /nfs/dbraw/zinc/07/20/60/170072060.db2.gz BKRXCFLVOMVQIX-MHWRWJLKSA-N 0 0 260.724 3.795 10 30 CHEERN COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2C)c1 ZINC000005379131 170091483 /nfs/dbraw/zinc/09/14/83/170091483.db2.gz YYDBHLYIEBAHOI-YBEGLDIGSA-N 0 0 270.288 3.662 10 30 CHEERN CCCCOc1c(Br)cc(C#N)cc1OCC ZINC000005951560 170161589 /nfs/dbraw/zinc/16/15/89/170161589.db2.gz MBEXVOOSYWUERI-UHFFFAOYSA-N 0 0 298.180 3.898 10 30 CHEERN CC(C)(C)c1ccc(CN=Nc2ccccn2)cc1 ZINC000006159376 170179773 /nfs/dbraw/zinc/17/97/73/170179773.db2.gz RLHKGQIRBURMIR-LDADJPATSA-N 0 0 253.349 3.825 10 30 CHEERN N#Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000006888801 170253264 /nfs/dbraw/zinc/25/32/64/170253264.db2.gz GSSJURDFEISASE-RMKNXTFCSA-N 0 0 282.730 3.864 10 30 CHEERN CCC(CC)c1nc(C#N)c(N=NCc2cccc(O)c2)o1 ZINC000007260820 170273927 /nfs/dbraw/zinc/27/39/27/170273927.db2.gz RVHBFMYZRBKSIJ-VCHYOVAHSA-N 0 0 298.346 3.601 10 30 CHEERN Cc1ccccc1[N-][NH+]=Cc1ccc(N(C)C)cc1 ZINC000007892104 170306495 /nfs/dbraw/zinc/30/64/95/170306495.db2.gz MNXGWYCPGBHMBI-SFQUDFHCSA-N 0 0 253.349 3.507 10 30 CHEERN CCOc1ccc(C=NNc2ccc(F)cc2)cc1OC ZINC000007949120 170309415 /nfs/dbraw/zinc/30/94/15/170309415.db2.gz LMKAILFWBMCJMR-WOJGMQOQSA-N 0 0 288.322 3.679 10 30 CHEERN Clc1cccc(Cl)c1C=NNc1ccccn1 ZINC000007993964 170312751 /nfs/dbraw/zinc/31/27/51/170312751.db2.gz RNJWUFWIWUDJCW-LZYBPNLTSA-N 0 0 266.131 3.834 10 30 CHEERN C/C(=N\O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1 ZINC000019809035 170877641 /nfs/dbraw/zinc/87/76/41/170877641.db2.gz WWBNENJCASXQHD-CPNJWEJPSA-N 0 0 282.343 3.754 10 30 CHEERN N#CCCN(c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000019868639 170900390 /nfs/dbraw/zinc/90/03/90/170900390.db2.gz PEPTWQDMWKDBFV-UHFFFAOYSA-N 0 0 285.278 3.786 10 30 CHEERN COc1ccc([C@@H](C)Nc2cccc(C#N)c2)c(OC)c1 ZINC000019922340 170929137 /nfs/dbraw/zinc/92/91/37/170929137.db2.gz LLDKIGBGYFMXHQ-GFCCVEGCSA-N 0 0 282.343 3.749 10 30 CHEERN CC[C@H](Nc1cccc(C#N)c1)c1ccccc1O ZINC000019922261 170929195 /nfs/dbraw/zinc/92/91/95/170929195.db2.gz LZBQLARRMPPQGJ-HNNXBMFYSA-N 0 0 252.317 3.827 10 30 CHEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019991052 170962696 /nfs/dbraw/zinc/96/26/96/170962696.db2.gz MMGMHBMHXXVMPP-KCXAZCMYSA-N 0 0 290.407 3.621 10 30 CHEERN CN(C)c1ccccc1C(=O)/C=C\c1ccccc1 ZINC000021966746 171343855 /nfs/dbraw/zinc/34/38/55/171343855.db2.gz KVVXEJRHXNCUHV-SEYXRHQNSA-N 0 0 251.329 3.649 10 30 CHEERN CC(=O)O[C@@H]1C#CCCCCC#C/C1=C\c1ccccc1 ZINC000027877529 171535900 /nfs/dbraw/zinc/53/59/00/171535900.db2.gz RZZFFFWZPPBCTP-LRXXLLMYSA-N 0 0 278.351 3.583 10 30 CHEERN O=C(O/N=C\c1cccc(Cl)c1)c1cccnc1Cl ZINC000033380812 171788016 /nfs/dbraw/zinc/78/80/16/171788016.db2.gz JHKNGWWPLLGHNU-IUXPMGMMSA-N 0 0 295.125 3.579 10 30 CHEERN CC1(C)CSC(Nc2ccc(F)cc2Cl)=N1 ZINC000035295250 172106801 /nfs/dbraw/zinc/10/68/01/172106801.db2.gz KKWPEQKAHBXZRJ-UHFFFAOYSA-N 0 0 258.749 3.582 10 30 CHEERN 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CCCCCCCC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177158876 329181536 /nfs/dbraw/zinc/18/15/36/329181536.db2.gz CBZDOCDVOSENFK-INIZCTEOSA-N 0 0 291.439 3.543 10 30 CHEERN C=CCCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000186145251 329338563 /nfs/dbraw/zinc/33/85/63/329338563.db2.gz VBNJVULMXRUDQE-UHFFFAOYSA-N 0 0 273.351 3.798 10 30 CHEERN C=CCC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccccc1 ZINC000189615826 329384318 /nfs/dbraw/zinc/38/43/18/329384318.db2.gz PLIVLGFFBPTFRI-UAGQMJEPSA-N 0 0 287.403 3.625 10 30 CHEERN C=CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000161784975 329955475 /nfs/dbraw/zinc/95/54/75/329955475.db2.gz YDTPEJRDQBMJKB-JKSUJKDBSA-N 0 0 257.377 3.558 10 30 CHEERN C#CCCCCC(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000271413741 330080016 /nfs/dbraw/zinc/08/00/16/330080016.db2.gz ZHPKZRONNOFYRA-HNNXBMFYSA-N 0 0 257.377 3.674 10 30 CHEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000056910049 330369593 /nfs/dbraw/zinc/36/95/93/330369593.db2.gz FYMXQBNUVPYQDH-OAHLLOKOSA-N 0 0 292.810 3.935 10 30 CHEERN 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C[C@@H]1C[C@@H]1[C@H](Nc1ncccc1C#N)c1ccccc1 ZINC000301253079 533742288 /nfs/dbraw/zinc/74/22/88/533742288.db2.gz CRWRAKUGRUNVHA-UHOFOFEASA-N 0 0 263.344 3.762 10 30 CHEERN Cc1cc(C(=O)N[C@H]2c3ccccc3CCC2(C)C)cnn1 ZINC000329809696 534010475 /nfs/dbraw/zinc/01/04/75/534010475.db2.gz BBVTYYRYNGKBRR-INIZCTEOSA-N 0 0 295.386 3.803 10 30 CHEERN CC(C)CCC(=O)[C@@H](C#N)c1cc(F)cc(F)c1 ZINC000049350363 519637241 /nfs/dbraw/zinc/63/72/41/519637241.db2.gz GVQODMJGOAENMT-ZDUSSCGKSA-N 0 0 251.276 3.577 10 30 CHEERN CC(C)[C@H](NCc1cccnc1C#N)c1cccs1 ZINC000061658410 519821138 /nfs/dbraw/zinc/82/11/38/519821138.db2.gz OLILIWRWLVOHKE-HNNXBMFYSA-N 0 0 271.389 3.502 10 30 CHEERN COCCc1ccc(Oc2cc(C)nc(C)c2C#N)cc1 ZINC000156603260 522016233 /nfs/dbraw/zinc/01/62/33/522016233.db2.gz LVMQSZVGTVUCBP-UHFFFAOYSA-N 0 0 282.343 3.551 10 30 CHEERN CCc1ccc([C@H](C)Nc2nnc(C)c(C)c2C#N)cc1 ZINC000044711750 524048064 /nfs/dbraw/zinc/04/80/64/524048064.db2.gz KTBTVCZIRHTMQJ-ZDUSSCGKSA-N 0 0 280.375 3.701 10 30 CHEERN 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CC(=NNc1ccccc1)c1cc(Cl)ccc1O ZINC000005258736 170080524 /nfs/dbraw/zinc/08/05/24/170080524.db2.gz JFBPXTKSRDRZFA-YBEGLDIGSA-N 0 0 260.724 3.882 10 30 CHEERN Cc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(F)cc1 ZINC000005362017 170089617 /nfs/dbraw/zinc/08/96/17/170089617.db2.gz GDACGUBRGLDRLH-SXGWCWSVSA-N 0 0 258.252 3.793 10 30 CHEERN O=[N+]([O-])c1ccc(NN=Cc2cccc(Cl)c2)cc1 ZINC000005428119 170098719 /nfs/dbraw/zinc/09/87/19/170098719.db2.gz XDCDUSJUMGWNJY-OQLLNIDSSA-N 0 0 275.695 3.694 10 30 CHEERN C=C(c1ccccc1F)[C@H](O)c1ccccc1OC ZINC000005527614 170108871 /nfs/dbraw/zinc/10/88/71/170108871.db2.gz FRRONOJWJUNGMQ-INIZCTEOSA-N 0 0 258.292 3.581 10 30 CHEERN CCCCOc1cccc(C(=O)Nc2ccccc2C#N)c1 ZINC000005862285 170148302 /nfs/dbraw/zinc/14/83/02/170148302.db2.gz BCOREDVEZSZLBN-UHFFFAOYSA-N 0 0 294.354 3.989 10 30 CHEERN N#Cc1cc(SCc2ccc(Cl)cc2)ccn1 ZINC000005933275 170157524 /nfs/dbraw/zinc/15/75/24/170157524.db2.gz FBIFAOLURVRSNW-UHFFFAOYSA-N 0 0 260.749 3.899 10 30 CHEERN COc1cccc(C=NNc2cccc(Cl)c2)c1O 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Cc1ccnc(N[C@H]2CCCc3ccccc32)c1C#N ZINC000135074818 334114563 /nfs/dbraw/zinc/11/45/63/334114563.db2.gz LRERHFUMCKGMHR-INIZCTEOSA-N 0 0 263.344 3.751 10 30 CHEERN CCCCCC[C@@H](C)OCC[C@H](C#N)NCCC ZINC000062441768 520120317 /nfs/dbraw/zinc/12/03/17/520120317.db2.gz NDQTYNROZSCCGD-HUUCEWRRSA-N 0 0 254.418 3.644 10 30 CHEERN CCCNc1c(C#N)cnc2c(C)c(Cl)ccc21 ZINC000050842351 520127718 /nfs/dbraw/zinc/12/77/18/520127718.db2.gz ZQLBUXVVKSLMOE-UHFFFAOYSA-N 0 0 259.740 3.890 10 30 CHEERN Cc1cc(C(=O)[C@H](C#N)c2cccc(C)c2)c(C)o1 ZINC000055332228 524198077 /nfs/dbraw/zinc/19/80/77/524198077.db2.gz XDYZPITWCPZXML-OAHLLOKOSA-N 0 0 253.301 3.695 10 30 CHEERN Cc1cccc(CSCc2cccnc2C#N)c1 ZINC000061665085 524461153 /nfs/dbraw/zinc/46/11/53/524461153.db2.gz QUJIJXWQWHZYGM-UHFFFAOYSA-N 0 0 254.358 3.695 10 30 CHEERN C[C@@H]1c2ccsc2CCN1c1nc2c(cc1C#N)CCC2 ZINC000042248405 525734862 /nfs/dbraw/zinc/73/48/62/525734862.db2.gz LQXRTELPYLXTRS-LLVKDONJSA-N 0 0 295.411 3.627 10 30 CHEERN Cc1c(N)cccc1Oc1ccc(Cl)cc1C#N 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560217287 /nfs/dbraw/zinc/21/72/87/560217287.db2.gz LWSOZPNJUFEDJU-UHFFFAOYSA-N 0 0 264.284 3.569 10 30 in-vitro CHEERN Cc1cc(Br)c2ccnc(C#N)c2c1Cl ZINC000521402194 566977843 /nfs/dbraw/zinc/97/78/43/566977843.db2.gz XBJRYFGYBIEWFO-UHFFFAOYSA-N 0 0 281.540 3.831 10 30 CHEERN Fc1cc(C#CC(F)(F)F)ccc1Br ZINC000675078690 567025337 /nfs/dbraw/zinc/02/53/37/567025337.db2.gz IXKDZQJZLHJLBE-UHFFFAOYSA-N 0 0 267.019 3.502 10 30 CHEERN Clc1cncc(Cl)c1N=NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000001042709 567835591 /nfs/dbraw/zinc/83/55/91/567835591.db2.gz XILPEJDYRWRWLF-MOGRRDSESA-N 0 0 282.174 3.998 10 30 CHEERN COc1ccc(Br)cc1/C=N/c1ccccn1 ZINC000000224378 567874401 /nfs/dbraw/zinc/87/44/01/567874401.db2.gz WWSRHZTZWVNKHL-CXUHLZMHSA-N 0 0 291.148 3.603 10 30 CHEERN C#CCC(C)(C)COC(=O)/C=C\SCc1ccco1 ZINC000588404970 1118556189 /nfs/dbraw/zinc/55/61/89/1118556189.db2.gz NKMBZQLMHSOPNO-YFHOEESVSA-N 0 0 278.373 3.619 10 30 CHEERN CC(C)(C#N)COC(=O)CC/C=C\c1ccccc1 ZINC000588418936 1118639669 /nfs/dbraw/zinc/63/96/69/1118639669.db2.gz NOYSHAAEOMJHHB-POHAHGRESA-N 0 0 257.333 3.573 10 30 CHEERN C[C@H](NC(=O)Nc1cccc2ccsc21)[C@H]1CCCO1 ZINC000328830273 1118714986 /nfs/dbraw/zinc/71/49/86/1118714986.db2.gz RBLUTKAKQXPECC-GXFFZTMASA-N 0 0 290.388 3.795 10 30 CHEERN Cc1cccnc1/C=C\C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000588454460 1118801723 /nfs/dbraw/zinc/80/17/23/1118801723.db2.gz GYGBQFUHUWQFIA-CMUBDUJZSA-N 0 0 292.338 3.579 10 30 CHEERN C#CC[C@H](OC(=O)/C=C\c1ccnc(Cl)c1)C(C)(C)C ZINC000588540042 1119154293 /nfs/dbraw/zinc/15/42/93/1119154293.db2.gz RJLXKTRWXJPEAK-WSROAFLRSA-N 0 0 291.778 3.729 10 30 CHEERN CC[C@H](CC#N)OC(=O)/C=C\c1ccc(Cl)cc1 ZINC000588558181 1119258348 /nfs/dbraw/zinc/25/83/48/1119258348.db2.gz QQYGKXSLPSATDZ-DMTLFAOVSA-N 0 0 263.724 3.589 10 30 CHEERN Cc1cnc([C@H](C)NC(=O)N2CC=C(C(C)(C)C)CC2)o1 ZINC000329289625 1119385840 /nfs/dbraw/zinc/38/58/40/1119385840.db2.gz QFGUZRRJYMIUEV-LBPRGKRZSA-N 0 0 291.395 3.636 10 30 CHEERN Cc1cc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc(C)c1Cl ZINC000408428649 1121458771 /nfs/dbraw/zinc/45/87/71/1121458771.db2.gz VGGCJKCBLKVIAS-WCQYABFASA-N 0 0 291.782 3.771 10 30 CHEERN Cc1ccc(C#N)cc1NC(=O)N1CCCCC(C)(C)C1 ZINC000408442947 1121570439 /nfs/dbraw/zinc/57/04/39/1121570439.db2.gz NLXAMVPZVYAIBC-UHFFFAOYSA-N 0 0 285.391 3.911 10 30 CHEERN C#CC[C@@H](OC(=O)c1cc(C)cc(C)c1)c1ccccn1 ZINC000105549376 1123055574 /nfs/dbraw/zinc/05/55/74/1123055574.db2.gz ZLFHAROGXNPSRZ-QGZVFWFLSA-N 0 0 279.339 3.620 10 30 CHEERN CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328739298 1123108810 /nfs/dbraw/zinc/10/88/10/1123108810.db2.gz LEMRJWBUYXUDOI-VXGBXAGGSA-N 0 0 278.396 3.811 10 30 CHEERN Cc1cnc([C@H](C)NC(=O)C[C@@H]2CCCCNC2=O)s1 ZINC000329558005 1123622594 /nfs/dbraw/zinc/62/25/94/1123622594.db2.gz QPWHJYZNTKUIBL-QWRGUYRKSA-N 0 0 295.408 3.616 10 30 CHEERN C#Cc1cccc(N(C)C(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000103031390 1129684932 /nfs/dbraw/zinc/68/49/32/1129684932.db2.gz SQVFBCCIPFJTCN-UHFFFAOYSA-N 0 0 293.341 3.502 10 30 CHEERN C/C(=C\N(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000095830684 185028494 /nfs/dbraw/zinc/02/84/94/185028494.db2.gz GGNDITUHWHJBPJ-BQYQJAHWSA-N 0 0 258.148 3.642 10 30 CHEERN CN(C)/C=C\C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000095912977 185031233 /nfs/dbraw/zinc/03/12/33/185031233.db2.gz NVNTWLKFIWLXKS-SEYXRHQNSA-N 0 0 281.355 3.524 10 30 CHEERN COC(=O)CC=C(Nc1ccc(Cl)cc1)C(F)(F)F ZINC000095930814 185032670 /nfs/dbraw/zinc/03/26/70/185032670.db2.gz QWOOPMARGRERTC-YVLHZVERSA-N 0 0 293.672 3.928 10 30 CHEERN C=C1C(=O)Oc2ccc3ccc(O)cc3c2[C@H]1C(C)C ZINC000084687595 178914943 /nfs/dbraw/zinc/91/49/43/178914943.db2.gz BFDPEVJEDVYKMY-HNNXBMFYSA-N 0 0 268.312 3.760 10 30 CHEERN C[C@@H](CC(=O)NC1(C#N)CCCC1)C1CCCCC1 ZINC000101642290 261231511 /nfs/dbraw/zinc/23/15/11/261231511.db2.gz NDEMJAJNEKTOSR-ZDUSSCGKSA-N 0 0 262.397 3.545 10 30 CHEERN Fc1ccc([C@@H]2O[C@H]2CCCO[C@H]2CCCCO2)cc1 ZINC000255999784 190000728 /nfs/dbraw/zinc/00/07/28/190000728.db2.gz RPEQZLPYASAXSF-JYJNAYRXSA-N 0 0 280.339 3.589 10 30 CHEERN N#Cc1c[nH]c2cc(C(F)(F)F)cc(Br)c12 ZINC000261508810 190040427 /nfs/dbraw/zinc/04/04/27/190040427.db2.gz XDVJXSILMJMXRM-UHFFFAOYSA-N 0 0 289.054 3.821 10 30 CHEERN CC1(C)CCc2c(Cl)nc(Cl)c(C#N)c2C1 ZINC000066054747 184570099 /nfs/dbraw/zinc/57/00/99/184570099.db2.gz RXOWSPNGFFSKJY-UHFFFAOYSA-N 0 0 255.148 3.775 10 30 CHEERN O=C(CCC1CCCCC1)C1=CC(=O)c2ccccc2C1=O ZINC000043411599 184560089 /nfs/dbraw/zinc/56/00/89/184560089.db2.gz WYFDOFDZDTZUMJ-UHFFFAOYSA-N 0 0 296.366 3.922 10 30 CHEERN CCC1CCC(C(=O)Oc2ccc(C#N)c(F)c2)CC1 ZINC000044136979 256724750 /nfs/dbraw/zinc/72/47/50/256724750.db2.gz XKPXEPFCVKWEML-UHFFFAOYSA-N 0 0 275.323 3.819 10 30 CHEERN Cc1ccc(NN=Cc2cccc(O)c2)cc1Cl ZINC000004922406 170041075 /nfs/dbraw/zinc/04/10/75/170041075.db2.gz HHXSONCSHOVVMW-CXUHLZMHSA-N 0 0 260.724 3.800 10 30 CHEERN CCCOC(=O)c1ccc(/N=C\c2ccc(C#N)cc2)cc1 ZINC000005431114 170098651 /nfs/dbraw/zinc/09/86/51/170098651.db2.gz HARARGZODIPOSY-MOSHPQCFSA-N 0 0 292.338 3.876 10 30 CHEERN Cc1ccc(NN=Cc2ccc(O)c(O)c2)cc1Cl ZINC000005444374 170099910 /nfs/dbraw/zinc/09/99/10/170099910.db2.gz BZCMECONURDTSM-LZYBPNLTSA-N 0 0 276.723 3.506 10 30 CHEERN C=C(c1ccccc1F)[C@@H](O)c1ccccc1OC ZINC000005527612 170108945 /nfs/dbraw/zinc/10/89/45/170108945.db2.gz FRRONOJWJUNGMQ-MRXNPFEDSA-N 0 0 258.292 3.581 10 30 CHEERN NC(=O)c1cccc(/N=C/c2cccc3ccccc23)c1 ZINC000005604984 170118786 /nfs/dbraw/zinc/11/87/86/170118786.db2.gz RQDVGQPECQOCPG-UDWIEESQSA-N 0 0 274.323 3.689 10 30 CHEERN COc1ccc(C=Nc2ccc3[nH]c(C)nc3c2)cc1OC ZINC000005940864 170158767 /nfs/dbraw/zinc/15/87/67/170158767.db2.gz YSFAUNDIUCJZLW-VCHYOVAHSA-N 0 0 295.342 3.639 10 30 CHEERN COc1cc(C=NNc2cccc(Cl)c2)ccc1O ZINC000006675076 170225231 /nfs/dbraw/zinc/22/52/31/170225231.db2.gz IEHHNZXXFRHLDM-CXUHLZMHSA-N 0 0 276.723 3.500 10 30 CHEERN C=C(C)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000006780961 170242964 /nfs/dbraw/zinc/24/29/64/170242964.db2.gz FYCFIXXTIHTMBU-MDZDMXLPSA-N 0 0 281.311 3.690 10 30 CHEERN COc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1O ZINC000007941519 170308403 /nfs/dbraw/zinc/30/84/03/170308403.db2.gz UJIZUHAXSSCYHY-RQZCQDPDSA-N 0 0 290.750 3.809 10 30 CHEERN O=[N+]([O-])c1cc(C=NNc2ccc(F)cc2)ccc1Cl ZINC000007949135 170309148 /nfs/dbraw/zinc/30/91/48/170309148.db2.gz JSPGGBWUEBHVSK-LZYBPNLTSA-N 0 0 293.685 3.833 10 30 CHEERN COc1ccccc1C=NNc1cccc(Cl)c1 ZINC000007949432 170309349 /nfs/dbraw/zinc/30/93/49/170309349.db2.gz GTNUVKHVFZVMIO-MHWRWJLKSA-N 0 0 260.724 3.795 10 30 CHEERN CN(C)/C=C/C(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000012340084 170476927 /nfs/dbraw/zinc/47/69/27/170476927.db2.gz NPWVLJBJSWANRE-IQTBQJLQSA-N 0 0 270.159 3.651 10 30 CHEERN N/C(CCCOc1cc(Cl)c(Cl)cc1Cl)=N\O ZINC000019808395 170877446 /nfs/dbraw/zinc/87/74/46/170877446.db2.gz RNVBLXVESCHWNW-UHFFFAOYSA-N 0 0 297.569 3.552 10 30 CHEERN C/C(=N\O)c1cccc(NC(=O)c2ccc(C)c(F)c2)c1 ZINC000019809056 170878026 /nfs/dbraw/zinc/87/80/26/170878026.db2.gz WIEMXBXGLQFIHH-YBFXNURJSA-N 0 0 286.306 3.585 10 30 CHEERN CC(C)CN[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177020 171042710 /nfs/dbraw/zinc/04/27/10/171042710.db2.gz YUOYEZDRUVQDEV-LBPRGKRZSA-N 0 0 257.164 3.804 10 30 CHEERN N#CC1(c2ccc(NC(=O)c3ccco3)cc2)CCCC1 ZINC000020497059 171227041 /nfs/dbraw/zinc/22/70/41/171227041.db2.gz KHRKPWATFPPRSD-UHFFFAOYSA-N 0 0 280.327 3.867 10 30 CHEERN N#CCNc1c(Cl)cc(Br)cc1Cl ZINC000020505913 171228243 /nfs/dbraw/zinc/22/82/43/171228243.db2.gz HZXWYAVJRVYEDI-UHFFFAOYSA-N 0 0 279.952 3.691 10 30 CHEERN C=CCn1c(SCC(C)C)nnc1C(C)(C)C ZINC000020839240 171275550 /nfs/dbraw/zinc/27/55/50/171275550.db2.gz NJHGWZNHVOUBFG-UHFFFAOYSA-N 0 0 253.415 3.510 10 30 CHEERN N/C(=N\O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000021812444 171329723 /nfs/dbraw/zinc/32/97/23/171329723.db2.gz IAYGYQJKQYUOJI-UHFFFAOYSA-N 0 0 296.248 3.592 10 30 CHEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ncccc1C#N ZINC000021813524 171330898 /nfs/dbraw/zinc/33/08/98/171330898.db2.gz VLVRKLAFEDTNNS-SNPRPXQTSA-N 0 0 258.365 3.793 10 30 CHEERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ncccc1C#N ZINC000021813527 171330913 /nfs/dbraw/zinc/33/09/13/171330913.db2.gz VLVRKLAFEDTNNS-CFVMTHIKSA-N 0 0 258.365 3.793 10 30 CHEERN O=C1/C(=C/C(F)(F)F)CCC/C1=C\C(F)(F)F ZINC000021998939 171347873 /nfs/dbraw/zinc/34/78/73/171347873.db2.gz CZZNPQJCROKGCB-YDFGWWAZSA-N 0 0 258.161 3.717 10 30 CHEERN COc1ccc(/C=C\C(=O)c2ccccc2OC(C)=O)cc1 ZINC000033378779 171787905 /nfs/dbraw/zinc/78/79/05/171787905.db2.gz XDJAQWVYUUUMJI-XFXZXTDPSA-N 0 0 296.322 3.517 10 30 CHEERN CCOc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000033410843 171790778 /nfs/dbraw/zinc/79/07/78/171790778.db2.gz RZDQLZHFYWPQGC-OQFOIZHKSA-N 0 0 296.322 3.710 10 30 CHEERN C[C@@H]1C/C(=N/NC(=S)NC2CCCCC2)CC(C)(C)C1 ZINC000033707979 171818677 /nfs/dbraw/zinc/81/86/77/171818677.db2.gz DSFIEZOJECYLBO-QJGCXADHSA-N 0 0 295.496 3.985 10 30 CHEERN N#Cc1c(F)cccc1N[C@H]1CCc2ccccc21 ZINC000035149229 172011652 /nfs/dbraw/zinc/01/16/52/172011652.db2.gz VTZYMAKVCJKGBR-INIZCTEOSA-N 0 0 252.292 3.797 10 30 CHEERN N#C[C@H]1CCCC[C@H]1Sc1ccccc1[N+](=O)[O-] ZINC000035286691 172104665 /nfs/dbraw/zinc/10/46/65/172104665.db2.gz WEHYNFHBZZKIDC-ZYHUDNBSSA-N 0 0 262.334 3.769 10 30 CHEERN CC[C@@H]1CSC(Nc2ccc(Br)cc2C)=N1 ZINC000035294518 172106478 /nfs/dbraw/zinc/10/64/78/172106478.db2.gz AXDPAYHJJMZIOE-SNVBAGLBSA-N 0 0 299.237 3.860 10 30 CHEERN COCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N ZINC000035321913 172125069 /nfs/dbraw/zinc/12/50/69/172125069.db2.gz GMYBJAXSTCPEID-JHJVBQTASA-N 0 0 255.427 3.721 10 30 CHEERN Cc1cc(C)c(C#N)c(Oc2ccc(N)cc2Cl)n1 ZINC000035672528 172344174 /nfs/dbraw/zinc/34/41/74/172344174.db2.gz JJPCAWSRHOUMTN-UHFFFAOYSA-N 0 0 273.723 3.598 10 30 CHEERN Cc1sc(NC(=O)c2c[nH]c3ccccc32)c(C#N)c1C ZINC000036685977 172654990 /nfs/dbraw/zinc/65/49/90/172654990.db2.gz RVQNYDFDRUJJGL-UHFFFAOYSA-N 0 0 295.367 3.970 10 30 CHEERN N#Cc1ccc(NC2CCSCC2)c(C(F)(F)F)c1 ZINC000036973770 172840703 /nfs/dbraw/zinc/84/07/03/172840703.db2.gz IKTBHIVQTGRXNZ-UHFFFAOYSA-N 0 0 286.322 3.885 10 30 CHEERN Cc1ccc(SCc2ccc(C#N)cc2)c(N)c1 ZINC000037193263 173021946 /nfs/dbraw/zinc/02/19/46/173021946.db2.gz PBQDNTIMZPBTBU-UHFFFAOYSA-N 0 0 254.358 3.741 10 30 CHEERN N#Cc1ccc(CSc2ccc(N)cc2F)cc1 ZINC000037194551 173023832 /nfs/dbraw/zinc/02/38/32/173023832.db2.gz WSJDJAFHYKRVNV-UHFFFAOYSA-N 0 0 258.321 3.572 10 30 CHEERN CCC[C@@H](C)C(=O)[C@@H](C#N)c1cc(C)ccc1OC ZINC000037345823 173143316 /nfs/dbraw/zinc/14/33/16/173143316.db2.gz CJQZRNAQNHCLAY-OCCSQVGLSA-N 0 0 259.349 3.616 10 30 CHEERN N#C[C@H](C(=O)C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000037347059 173144173 /nfs/dbraw/zinc/14/41/73/173144173.db2.gz USLZRAHCQHRAOV-LBPRGKRZSA-N 0 0 267.250 3.682 10 30 CHEERN COc1ccccc1N[C@@H](C#N)c1ccc(C)cc1 ZINC000037938708 173878505 /nfs/dbraw/zinc/87/85/05/173878505.db2.gz UWEUBDORLQIWAL-HNNXBMFYSA-N 0 0 252.317 3.680 10 30 CHEERN C[C@H]1CC(C)(C)C[C@@](C#N)(NCc2cccs2)C1 ZINC000037939525 173879122 /nfs/dbraw/zinc/87/91/22/173879122.db2.gz SHMDUEOSRBEFHT-WFASDCNBSA-N 0 0 262.422 3.946 10 30 CHEERN 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1119044819 /nfs/dbraw/zinc/04/48/19/1119044819.db2.gz HOZDFANKYZJHLT-UHFFFAOYSA-N 0 0 268.360 3.812 10 30 CHEERN Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(F)nc1)CCO2 ZINC000588524024 1119097280 /nfs/dbraw/zinc/09/72/80/1119097280.db2.gz ONRYFNBGTQTHOY-NTEUORMPSA-N 0 0 297.329 3.886 10 30 CHEERN O=C(/C=C\c1cocn1)c1ccc(-c2ccccc2)o1 ZINC000588579062 1119378211 /nfs/dbraw/zinc/37/82/11/1119378211.db2.gz LONIOUCIUQGHEU-SREVYHEPSA-N 0 0 265.268 3.831 10 30 CHEERN CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cocn1)CCO2 ZINC000588579223 1119379010 /nfs/dbraw/zinc/37/90/10/1119379010.db2.gz GNBJBOSMFBYHAJ-NTUHNPAUSA-N 0 0 283.327 3.847 10 30 CHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCCC12CCCC2 ZINC000329842803 1119592852 /nfs/dbraw/zinc/59/28/52/1119592852.db2.gz XDWNAPGEWHBMEN-KKUMJFAQSA-N 0 0 289.423 3.685 10 30 CHEERN CCCCOc1c(Br)cc(C#N)cc1OC ZINC000002760886 1120668439 /nfs/dbraw/zinc/66/84/39/1120668439.db2.gz DMSKLMHKTXXDSZ-UHFFFAOYSA-N 0 0 284.153 3.508 10 30 CHEERN Cc1sc2nc(C)nc(N[C@@H]3CCC[C@@H]3C#N)c2c1C ZINC000408331701 1121087287 /nfs/dbraw/zinc/08/72/87/1121087287.db2.gz YWBBRORNOHASOO-VXGBXAGGSA-N 0 0 286.404 3.721 10 30 CHEERN C[C@@]1(C(=O)[C@H](C#N)c2ccccn2)CCCc2ccccc21 ZINC000102118779 1122882060 /nfs/dbraw/zinc/88/20/60/1122882060.db2.gz GPRYRLDUFAXSNY-DNVCBOLYSA-N 0 0 290.366 3.552 10 30 CHEERN CC1(C)CC[C@H](C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328688350 1123108854 /nfs/dbraw/zinc/10/88/54/1123108854.db2.gz HPVRFONBPSECGR-NWDGAFQWSA-N 0 0 278.396 3.811 10 30 CHEERN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328708814 1123108993 /nfs/dbraw/zinc/10/89/93/1123108993.db2.gz AGRLFDSBJPQADZ-AGIUHOORSA-N 0 0 278.396 3.811 10 30 CHEERN CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000328861706 1123112692 /nfs/dbraw/zinc/11/26/92/1123112692.db2.gz LWMAYUCLPBGMBR-RWMBFGLXSA-N 0 0 298.452 3.764 10 30 CHEERN N#C[C@@H](NC(=O)c1cccn1C1CCCC1)C1CCCCC1 ZINC000182295302 1123172417 /nfs/dbraw/zinc/17/24/17/1123172417.db2.gz JGBQSNWJFDKTHG-MRXNPFEDSA-N 0 0 299.418 3.805 10 30 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CC(C)c1nn(-c2ccc(F)cc2)c(Cl)c1C#N ZINC000104259681 185946946 /nfs/dbraw/zinc/94/69/46/185946946.db2.gz QZNCVRRXRQYOFJ-UHFFFAOYSA-N 0 0 263.703 3.660 10 30 CHEERN COc1cc2c(cc1Cl)C1=CC(=O)CC[C@@]1(CCF)C2 ZINC000091301759 180129077 /nfs/dbraw/zinc/12/90/77/180129077.db2.gz RYQILFWZLKOHDP-MRXNPFEDSA-N 0 0 294.753 3.997 10 30 CHEERN CN1C=CC(=C/C=C2/C=CC(=O)C(C(C)(C)C)=C2)C=C1 ZINC000104847722 186028903 /nfs/dbraw/zinc/02/89/03/186028903.db2.gz PNRLDHBQABKNSE-UUASQNMZSA-N 0 0 267.372 3.923 10 30 CHEERN Cc1csc(CN(C)c2ccc(Cl)cc2C#N)n1 ZINC000301277746 261331111 /nfs/dbraw/zinc/33/11/11/261331111.db2.gz JGTZCFQKPYXVSV-UHFFFAOYSA-N 0 0 277.780 3.613 10 30 CHEERN N#Cc1c(N2CCCCC2)cccc1C(F)(F)F ZINC000261507046 134452986 /nfs/dbraw/zinc/45/29/86/134452986.db2.gz DSMMKQSLHYNFKL-UHFFFAOYSA-N 0 0 254.255 3.567 10 30 CHEERN CC(=O)N(O)[C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000005138831 170069857 /nfs/dbraw/zinc/06/98/57/170069857.db2.gz FSUFUKQWXOFBDQ-CYBMUJFWSA-N 0 0 285.343 3.564 10 30 CHEERN C(=NN=c1ccc2ccccc2[nH]1)c1cccs1 ZINC000005332258 170086556 /nfs/dbraw/zinc/08/65/56/170086556.db2.gz JAJLLNOFBUNSIC-XNTDXEJSSA-N 0 0 253.330 3.742 10 30 CHEERN Cc1ccc(CN=Nc2c(F)c(F)cc(F)c2F)cc1 ZINC000005928254 170156252 /nfs/dbraw/zinc/15/62/52/170156252.db2.gz BMGYESLBIVSGCU-FBCYGCLPSA-N 0 0 282.240 3.997 10 30 CHEERN CC(C)CC(=O)[C@H](C#N)c1ccc(Br)cc1 ZINC000006387579 170197233 /nfs/dbraw/zinc/19/72/33/170197233.db2.gz GZVVHKVGGKESQX-GFCCVEGCSA-N 0 0 280.165 3.671 10 30 CHEERN COc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1O ZINC000007941481 170308411 /nfs/dbraw/zinc/30/84/11/170308411.db2.gz TVEOIVPSXMYTIB-RQZCQDPDSA-N 0 0 290.750 3.809 10 30 CHEERN CCOc1ccc(C=NNc2ccc(C)cc2)cc1 ZINC000007931029 170308601 /nfs/dbraw/zinc/30/86/01/170308601.db2.gz PMXQHLSYLTWEFS-SFQUDFHCSA-N 0 0 254.333 3.840 10 30 CHEERN O=[N+]([O-])c1cccc(C=NNc2cccc(Cl)c2)c1 ZINC000007949324 170309279 /nfs/dbraw/zinc/30/92/79/170309279.db2.gz ASSXOTMBJPQVRU-OQLLNIDSSA-N 0 0 275.695 3.694 10 30 CHEERN COc1ccc(C=NNc2cccc(Cl)c2)cc1 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N/C(=N/O)c1c(Cl)cccc1Sc1ccccc1F ZINC000052907822 526801790 /nfs/dbraw/zinc/80/17/90/526801790.db2.gz MBSUSRGPLDCLOO-UHFFFAOYSA-N 0 0 296.754 3.725 10 30 CHEERN CCC1CCC(NC(=O)c2snnc2C2CC2)CC1 ZINC000329863623 527823272 /nfs/dbraw/zinc/82/32/72/527823272.db2.gz ZGEKJBSTKTUUPQ-UHFFFAOYSA-N 0 0 279.409 3.689 10 30 CHEERN CCC(CC)c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333887755 528888453 /nfs/dbraw/zinc/88/84/53/528888453.db2.gz YACMNGDARFCQSX-OAHLLOKOSA-N 0 0 259.353 3.699 10 30 CHEERN Fc1cc(Br)ccc1C#CC(F)(F)F ZINC000675078280 567025658 /nfs/dbraw/zinc/02/56/58/567025658.db2.gz DHOGAOJFBKANJL-UHFFFAOYSA-N 0 0 267.019 3.502 10 30 CHEERN CC[C@@H](CC#N)OC(=O)/C=C\c1ccccc1Cl ZINC000588558256 1119258759 /nfs/dbraw/zinc/25/87/59/1119258759.db2.gz GTJGHIDNEAKOFY-KRZKBDHCSA-N 0 0 263.724 3.589 10 30 CHEERN Cc1ncc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cn1 ZINC000329585133 1123627667 /nfs/dbraw/zinc/62/76/67/1123627667.db2.gz RCHYZQHKIVEIJR-UONOGXRCSA-N 0 0 259.353 3.589 10 30 CHEERN Cc1cc(C#N)cc(NCc2cccc(Cl)c2Cl)n1 ZINC000587560616 1127159954 /nfs/dbraw/zinc/15/99/54/1127159954.db2.gz ODHPVHRQDIUXAC-UHFFFAOYSA-N 0 0 292.169 3.603 10 30 CHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000328981915 1118796438 /nfs/dbraw/zinc/79/64/38/1118796438.db2.gz RXUSABRNYJSXKB-JYJNAYRXSA-N 0 0 268.360 3.829 10 30 CHEERN C=CCC[C@@H](OC(=O)/C=C\c1scnc1C)C1CC1 ZINC000588521979 1119090714 /nfs/dbraw/zinc/09/07/14/1119090714.db2.gz ABWDGXZJDAVYAB-LJTDUEICSA-N 0 0 277.389 3.753 10 30 CHEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1cccc(F)c1 ZINC000588552091 1119226779 /nfs/dbraw/zinc/22/67/79/1119226779.db2.gz RKKBNQFAYOOTNU-JJEJIETFSA-N 0 0 292.350 3.611 10 30 CHEERN O=C(/C=C\c1cocn1)c1cccc(C(F)(F)F)c1 ZINC000588561506 1119265403 /nfs/dbraw/zinc/26/54/03/1119265403.db2.gz BGEYIYZVGHQGMN-PLNGDYQASA-N 0 0 267.206 3.590 10 30 CHEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000178865296 1119343478 /nfs/dbraw/zinc/34/34/78/1119343478.db2.gz MNDZQQXWCWPCGF-QWHCGFSZSA-N 0 0 285.391 3.767 10 30 CHEERN O=C1c2c([nH]c3ccc(F)cc32)CC/C1=C\c1cocn1 ZINC000588579477 1119379972 /nfs/dbraw/zinc/37/99/72/1119379972.db2.gz RZUVYVPOIZEGQS-WEVVVXLNSA-N 0 0 282.274 3.508 10 30 CHEERN C=CCC[C@@H](OC(=O)/C=C\c1ncccc1C)C1CC1 ZINC000588456676 1120083176 /nfs/dbraw/zinc/08/31/76/1120083176.db2.gz ICBBFWUOXLTAOW-BLIJAFNYSA-N 0 0 271.360 3.691 10 30 CHEERN CC(C)(CC#N)COC(=O)/C=C\c1ccc(Cl)cc1 ZINC000588467267 1120085403 /nfs/dbraw/zinc/08/54/03/1120085403.db2.gz VYDSWDDTOKLHBS-YVMONPNESA-N 0 0 277.751 3.836 10 30 CHEERN N#CC1(NC(=O)c2cc3ccc(F)cc3s2)CCCC1 ZINC000105997867 1120087235 /nfs/dbraw/zinc/08/72/35/1120087235.db2.gz WVSZZRNOKMKBDP-UHFFFAOYSA-N 0 0 288.347 3.607 10 30 CHEERN C#CCCCCC(=O)N1CC=C(c2cccs2)CC1 ZINC000180199529 1120268447 /nfs/dbraw/zinc/26/84/47/1120268447.db2.gz RLNKCCQFGBDVEP-UHFFFAOYSA-N 0 0 273.401 3.557 10 30 CHEERN C#CC[C@H](OC(=O)CC1CCCCC1)c1ccccn1 ZINC000105549305 1123054838 /nfs/dbraw/zinc/05/48/38/1123054838.db2.gz BJWHPXPJPOZCNY-INIZCTEOSA-N 0 0 271.360 3.660 10 30 CHEERN C#CC[C@@H](OC(=O)CC1CCCCC1)c1ccccn1 ZINC000105549306 1123054849 /nfs/dbraw/zinc/05/48/49/1123054849.db2.gz BJWHPXPJPOZCNY-MRXNPFEDSA-N 0 0 271.360 3.660 10 30 CHEERN C#CC[C@H](OC(=O)c1cc(C)cc(C)c1)c1ccccn1 ZINC000105549372 1123056306 /nfs/dbraw/zinc/05/63/06/1123056306.db2.gz ZLFHAROGXNPSRZ-KRWDZBQOSA-N 0 0 279.339 3.620 10 30 CHEERN CC[C@@H](CC(=O)[C@H](C#N)c1nc(C)cs1)C(C)C ZINC000105753954 1123066293 /nfs/dbraw/zinc/06/62/93/1123066293.db2.gz RZAJYTAEYGGYIY-RYUDHWBXSA-N 0 0 264.394 3.700 10 30 CHEERN Cc1nnccc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000329432132 1123234423 /nfs/dbraw/zinc/23/44/23/1123234423.db2.gz KVJQSMQSLKXRRG-ZYHUDNBSSA-N 0 0 261.369 3.835 10 30 CHEERN C[C@@H]1CCCC[C@H]1OCc1noc(C2(C#N)CCCC2)n1 ZINC000329448331 1123611521 /nfs/dbraw/zinc/61/15/21/1123611521.db2.gz CABDDSJFGIWFRK-CHWSQXEVSA-N 0 0 289.379 3.500 10 30 CHEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H]1CC12CCCCC2 ZINC000329517078 1123618748 /nfs/dbraw/zinc/61/87/48/1123618748.db2.gz PEUWBNFIOWFUDM-STQMWFEESA-N 0 0 278.396 3.812 10 30 CHEERN c1ccc2c(c1)cnnc2N=NC1CCCc2ccccc21 ZINC000097991665 230388786 /nfs/dbraw/zinc/38/87/86/230388786.db2.gz CIZOAKMUVJCGJT-JZJYNLBNSA-N 0 0 288.354 3.782 10 30 CHEERN COC(=O)CC=C(Nc1ccccc1C)C(F)(F)F ZINC000095930822 185032795 /nfs/dbraw/zinc/03/27/95/185032795.db2.gz NYJRCMLFSPAISU-BOPFTXTBSA-N 0 0 273.254 3.583 10 30 CHEERN C/C(=N/OCc1ccccc1)c1nc2ccccc2n1C ZINC000096941129 185134025 /nfs/dbraw/zinc/13/40/25/185134025.db2.gz AUZGIVBXNLXASH-UYRXBGFRSA-N 0 0 279.343 3.514 10 30 CHEERN CCN(c1cccc(F)c1)c1ccc(F)cc1C#N ZINC000104238322 185939987 /nfs/dbraw/zinc/93/99/87/185939987.db2.gz VOBAANRQBJNEJP-UHFFFAOYSA-N 0 0 258.271 3.994 10 30 CHEERN O=C(/C=C\c1cccc(Br)c1)C1CCC1 ZINC000090623982 180014923 /nfs/dbraw/zinc/01/49/23/180014923.db2.gz MYTJPPQBVCBLIN-FPLPWBNLSA-N 0 0 265.150 3.832 10 30 CHEERN COC(=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C#N ZINC000091301854 180129074 /nfs/dbraw/zinc/12/90/74/180129074.db2.gz RRAKPSYPUXWVED-UHFFFAOYSA-N 0 0 275.348 3.930 10 30 CHEERN O=[N+]([O-])c1ccc(/C=N/c2ccccc2Cl)o1 ZINC000000439868 169641019 /nfs/dbraw/zinc/64/10/19/169641019.db2.gz XSUURMXNGYVEAC-NTUHNPAUSA-N 0 0 250.641 3.592 10 30 CHEERN C=CCc1ccccc1OCC(=O)Nc1ccccc1F ZINC000001284747 169694308 /nfs/dbraw/zinc/69/43/08/169694308.db2.gz MXZKJRHATIPSIQ-UHFFFAOYSA-N 0 0 285.318 3.572 10 30 CHEERN CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1 ZINC000005334072 170086683 /nfs/dbraw/zinc/08/66/83/170086683.db2.gz ITVJQCZEIJNLMO-YBFXNURJSA-N 0 0 295.411 3.925 10 30 CHEERN Cc1ccc(NC(=O)CO/N=C/c2ccccc2C)c(C)c1 ZINC000005406335 170095508 /nfs/dbraw/zinc/09/55/08/170095508.db2.gz DXMZOWYRUHSKJC-YBFXNURJSA-N 0 0 296.370 3.601 10 30 CHEERN C[C@@H]1CS/C(=N\[C@@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)O1 ZINC000005722257 170133119 /nfs/dbraw/zinc/13/31/19/170133119.db2.gz RKVKWHNRFHTLQU-QXEXJVLJSA-N 0 0 253.411 3.709 10 30 CHEERN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccco1)C2 ZINC000005727844 170134192 /nfs/dbraw/zinc/13/41/92/170134192.db2.gz WALGUWXUWFIBGI-YMQMSPFBSA-N 0 0 261.321 3.639 10 30 CHEERN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000005788754 170140228 /nfs/dbraw/zinc/14/02/28/170140228.db2.gz IXLWBQGBCAUUAF-FRKPEAEDSA-N 0 0 287.241 3.811 10 30 CHEERN N#CCCn1c2ccccc2c2cc3cnncc3cc21 ZINC000005900205 170152381 /nfs/dbraw/zinc/15/23/81/170152381.db2.gz QMSPNQBTCKFVNU-UHFFFAOYSA-N 0 0 272.311 3.651 10 30 CHEERN CCOc1ccccc1/C=C1\Oc2cc(OC)ccc2C1=O ZINC000007389147 170282495 /nfs/dbraw/zinc/28/24/95/170282495.db2.gz LSVRZCUOCJTAJR-YVLHZVERSA-N 0 0 296.322 3.710 10 30 CHEERN CN(C)/C=C\C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000012340085 170476900 /nfs/dbraw/zinc/47/69/00/170476900.db2.gz NPWVLJBJSWANRE-AQXDOAQYSA-N 0 0 270.159 3.651 10 30 CHEERN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000014013273 170615858 /nfs/dbraw/zinc/61/58/58/170615858.db2.gz OPVQEBSPXISJEY-QGZVFWFLSA-N 0 0 294.354 3.663 10 30 CHEERN C#Cc1cccc(N[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000019877031 170905530 /nfs/dbraw/zinc/90/55/30/170905530.db2.gz UPUHQHJJQOPYTO-LBPRGKRZSA-N 0 0 269.319 3.989 10 30 CHEERN COc1cccc([C@H](C)Nc2cccc(C#N)c2)c1 ZINC000019922161 170929067 /nfs/dbraw/zinc/92/90/67/170929067.db2.gz WARYJCVCPVCERC-LBPRGKRZSA-N 0 0 252.317 3.740 10 30 CHEERN N#C[C@@H](NC1CCCC1)c1c(F)cccc1Cl ZINC000020175238 171041978 /nfs/dbraw/zinc/04/19/78/171041978.db2.gz WDJTWWVVXNVOAJ-GFCCVEGCSA-N 0 0 252.720 3.576 10 30 CHEERN CC(C)CN[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000020177261 171042761 /nfs/dbraw/zinc/04/27/61/171042761.db2.gz LGHGSINYCHSVQS-NSHDSACASA-N 0 0 257.164 3.804 10 30 CHEERN CC(C)(C)c1cc(CNCCC#N)cc(C(C)(C)C)c1O ZINC000020199310 171063083 /nfs/dbraw/zinc/06/30/83/171063083.db2.gz NIXLCRKFORYEQY-UHFFFAOYSA-N 0 0 288.435 3.990 10 30 CHEERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(C#N)cn1 ZINC000021818904 171333771 /nfs/dbraw/zinc/33/37/71/171333771.db2.gz MNYDWNRFAAXIDQ-QEJZJMRPSA-N 0 0 258.365 3.793 10 30 CHEERN CCCn1c2cc(C#N)c(C#N)cc2nc1-c1ccccc1 ZINC000021999561 171348147 /nfs/dbraw/zinc/34/81/47/171348147.db2.gz ZKVRZQHBKBUUSD-UHFFFAOYSA-N 0 0 286.338 3.857 10 30 CHEERN C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2c1cc2ccccc2[nH]1 ZINC000022001118 171348364 /nfs/dbraw/zinc/34/83/64/171348364.db2.gz OOWNZMAMEIOHSE-OGHNNQOOSA-N 0 0 252.361 3.737 10 30 CHEERN Cc1cc(C)cc(OCCOc2ccc(CC#N)cc2)c1 ZINC000034652846 171847850 /nfs/dbraw/zinc/84/78/50/171847850.db2.gz QCJDRRKORFEFDG-UHFFFAOYSA-N 0 0 281.355 3.827 10 30 CHEERN Cc1ccc(NC2=NC(C)(C)CS2)c(Br)c1 ZINC000035294358 172106142 /nfs/dbraw/zinc/10/61/42/172106142.db2.gz OKVFCNTVCSPYCE-UHFFFAOYSA-N 0 0 299.237 3.860 10 30 CHEERN CC[C@@H](NCCC#N)c1ccc(Cl)cc1Cl ZINC000035625416 172305131 /nfs/dbraw/zinc/30/51/31/172305131.db2.gz YRMRWJISKHCDMR-GFCCVEGCSA-N 0 0 257.164 3.948 10 30 CHEERN C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000035735020 172387090 /nfs/dbraw/zinc/38/70/90/172387090.db2.gz UDWCDHRFJFHLHL-ZANVPECISA-N 0 0 284.281 3.556 10 30 CHEERN N#C[C@@H](C(=O)CCc1ccco1)c1ccc(Cl)cc1 ZINC000037345195 173143318 /nfs/dbraw/zinc/14/33/18/173143318.db2.gz CMOZLQCSMRTPFO-CQSZACIVSA-N 0 0 273.719 3.742 10 30 CHEERN COC(C)(C)C[C@@](C)(C#N)Nc1ccccc1Cl ZINC000037938130 173877980 /nfs/dbraw/zinc/87/79/80/173877980.db2.gz IRWRGGYJCKBDTR-AWEZNQCLSA-N 0 0 266.772 3.849 10 30 CHEERN Cc1cccc(Oc2ccccc2C#N)c1[N+](=O)[O-] ZINC000038081839 174091200 /nfs/dbraw/zinc/09/12/00/174091200.db2.gz XLGNEBGDLIOFRI-UHFFFAOYSA-N 0 0 254.245 3.567 10 30 CHEERN N#C[C@]1(N2CCCCCC2)CCCc2ccccc21 ZINC000038086255 174097524 /nfs/dbraw/zinc/09/75/24/174097524.db2.gz NAQZWUAUTQZGGT-QGZVFWFLSA-N 0 0 254.377 3.618 10 30 CHEERN N#Cc1c(N)nc(-c2cccs2)cc1-c1ccccc1 ZINC000038816216 174156356 /nfs/dbraw/zinc/15/63/56/174156356.db2.gz CMOAUWPKTBSUQT-UHFFFAOYSA-N 0 0 277.352 3.931 10 30 in-vivo CHEERN N#Cc1c2cnccc2sc1Nc1ccccc1 ZINC000039123436 174163621 /nfs/dbraw/zinc/16/36/21/174163621.db2.gz XQMOKTQSYKVRFB-UHFFFAOYSA-N 0 0 251.314 3.912 10 30 CHEERN COc1ccc(-c2cc(C#N)c3cc(OC)ccc3n2)cc1 ZINC000039140308 174164609 /nfs/dbraw/zinc/16/46/09/174164609.db2.gz RZOFCODFOCEDQS-UHFFFAOYSA-N 0 0 290.322 3.791 10 30 CHEERN C=C(C)n1c2cc(C)c(C)cc2n(CCC(C)C)c1=O ZINC000040311204 174230823 /nfs/dbraw/zinc/23/08/23/174230823.db2.gz DMAIIGMJMBCOGX-UHFFFAOYSA-N 0 0 272.392 3.957 10 30 CHEERN CCN(C[C@H](C)C#N)c1cc(C)nc2ccccc21 ZINC000042449887 174742894 /nfs/dbraw/zinc/74/28/94/174742894.db2.gz HATCRZIEMIYAES-GFCCVEGCSA-N 0 0 253.349 3.529 10 30 CHEERN Nc1ccccc1NC1=C(C(=O)C(F)(F)F)CCCC1 ZINC000043463549 175052154 /nfs/dbraw/zinc/05/21/54/175052154.db2.gz KTMWTZASVKTTMT-UHFFFAOYSA-N 0 0 284.281 3.640 10 30 CHEERN FC(F)C(F)(F)[C@H]1C[C@H](S)c2ccccc2O1 ZINC000043464972 175052501 /nfs/dbraw/zinc/05/25/01/175052501.db2.gz CSUBRYDQICANOF-DTWKUNHWSA-N 0 0 266.259 3.709 10 30 CHEERN Cc1c(N)c(C#N)sc1-c1ccc(Br)o1 ZINC000044273524 175158701 /nfs/dbraw/zinc/15/87/01/175158701.db2.gz IRPKYYVBNVSKKC-UHFFFAOYSA-N 0 0 283.150 3.533 10 30 CHEERN C[C@H](C#N)Oc1ccc2cc(Br)ccc2c1 ZINC000044274002 175158717 /nfs/dbraw/zinc/15/87/17/175158717.db2.gz RJBHPXRXSVXXHU-SECBINFHSA-N 0 0 276.133 3.893 10 30 CHEERN N#Cc1sc(-c2ccc(F)cc2Cl)cc1N ZINC000044273428 175158862 /nfs/dbraw/zinc/15/88/62/175158862.db2.gz DJKJNAGUCRPWRZ-UHFFFAOYSA-N 0 0 252.701 3.661 10 30 CHEERN N#Cc1ccccc1Cn1ccnc1-c1cccs1 ZINC000045048360 175297098 /nfs/dbraw/zinc/29/70/98/175297098.db2.gz XAWJYZSQUUQYFW-UHFFFAOYSA-N 0 0 265.341 3.532 10 30 CHEERN N#Cc1ccc(Cn2ccnc2-c2cccs2)cc1 ZINC000045048363 175297207 /nfs/dbraw/zinc/29/72/07/175297207.db2.gz BRUSEWDACYNMMB-UHFFFAOYSA-N 0 0 265.341 3.532 10 30 CHEERN C=C(Cl)COc1ccc(C=O)cc1C(F)(F)F ZINC000071398992 176151869 /nfs/dbraw/zinc/15/18/69/176151869.db2.gz IQRPDDHQUIYRAF-UHFFFAOYSA-N 0 0 264.630 3.649 10 30 CHEERN N#CCc1nc(-c2cc(Br)cs2)cs1 ZINC000071642033 176239124 /nfs/dbraw/zinc/23/91/24/176239124.db2.gz KEAIUTODLRYGQZ-UHFFFAOYSA-N 0 0 285.191 3.700 10 30 CHEERN C=CC(N)=C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000077287034 177249209 /nfs/dbraw/zinc/24/92/09/177249209.db2.gz ISZIMIALMYWCIQ-VHSXEESVSA-N 0 0 267.394 3.515 10 30 in-vitro CHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCSc2ccccc21 ZINC000330050060 228026671 /nfs/dbraw/zinc/02/66/71/228026671.db2.gz LINDGHAHYKRPGF-UBHSHLNASA-N 0 0 286.400 3.915 10 30 CHEERN CCc1cc(C(=O)NC2(C#N)CCCCC2)sc1C ZINC000407983951 260149985 /nfs/dbraw/zinc/14/99/85/260149985.db2.gz UHIOMYPNLRYJJM-UHFFFAOYSA-N 0 0 276.405 3.575 10 30 CHEERN C/C=C/CCNc1ccc(Br)cc1C#N ZINC000130451739 260396496 /nfs/dbraw/zinc/39/64/96/260396496.db2.gz QNRGUWNWTKLNDT-NSCUHMNNSA-N 0 0 265.154 3.699 10 30 CHEERN CC1(C)C[C@H](NCc2ccc(C#N)o2)c2ccccc2O1 ZINC000153033367 261072302 /nfs/dbraw/zinc/07/23/02/261072302.db2.gz ZOPLCSRTVIUAAE-HNNXBMFYSA-N 0 0 282.343 3.543 10 30 CHEERN CC(C)c1ccc([C@H](C)Nc2cnc(C#N)cn2)cc1 ZINC000185140196 262044139 /nfs/dbraw/zinc/04/41/39/262044139.db2.gz RCDLXAULPHMMQT-LBPRGKRZSA-N 0 0 266.348 3.645 10 30 CHEERN C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000188525331 262309251 /nfs/dbraw/zinc/30/92/51/262309251.db2.gz BAYGKASLHZTXGA-ZFWWWQNUSA-N 0 0 299.336 3.879 10 30 CHEERN C[C@H](CCC1CC1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328667848 263836256 /nfs/dbraw/zinc/83/62/56/263836256.db2.gz LDFNDUSZIJQGTC-DGCLKSJQSA-N 0 0 266.385 3.811 10 30 CHEERN CC(C)(C)n1cc(NC(=O)C[C@@H]2CCCCC(=O)N2)cn1 ZINC000328674066 263837219 /nfs/dbraw/zinc/83/72/19/263837219.db2.gz PRNKZKNLWOWMGJ-NSHDSACASA-N 0 0 292.383 3.515 10 30 CHEERN C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328866328 263883156 /nfs/dbraw/zinc/88/31/56/263883156.db2.gz NUTKGWYDSXROMS-AGIUHOORSA-N 0 0 266.385 3.668 10 30 CHEERN C[C@@H]1C[C@@H](C(=O)NCc2nccc3ccccc32)CCC1=O ZINC000328949300 263897059 /nfs/dbraw/zinc/89/70/59/263897059.db2.gz WMXLXTUOYPEHIL-OCCSQVGLSA-N 0 0 296.370 3.697 10 30 CHEERN C=CCN(CC=C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119257075 267313715 /nfs/dbraw/zinc/31/37/15/267313715.db2.gz ZAQZHMSEZSNBKQ-INIZCTEOSA-N 0 0 288.366 3.587 10 30 CHEERN O/N=C/c1cc(Cl)c(OCc2cccnc2)c(Cl)c1 ZINC000253572095 328115633 /nfs/dbraw/zinc/11/56/33/328115633.db2.gz PTXUKMCQNMTJIC-REZTVBANSA-N 0 0 297.141 3.776 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/nfs/dbraw/zinc/93/18/58/567931858.db2.gz OCQTWYLKNUCLNZ-COMQUAJESA-N 0 0 291.391 3.791 10 30 CHEERN CCCCCCCC(=O)CNC(=O)OCc1ccccc1 ZINC000405886648 570411270 /nfs/dbraw/zinc/41/12/70/570411270.db2.gz KKEYRGPCWLXDDU-UHFFFAOYSA-N 0 0 291.391 3.842 10 30 CHEERN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)[O-])sc1C ZINC000692255087 976409060 /nfs/dbraw/zinc/40/90/60/976409060.db2.gz RASCGYFCTZHOLP-GXTWGEPZSA-N 0 0 293.432 3.979 10 30 CHEERN N#CC1(COC(=O)/C=C\SCc2ccco2)CCCC1 ZINC000588411715 1118592901 /nfs/dbraw/zinc/59/29/01/1118592901.db2.gz KXDOGWFPHZTKFC-UITAMQMPSA-N 0 0 291.372 3.654 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1cncc(F)c1 ZINC000588423255 1118662235 /nfs/dbraw/zinc/66/22/35/1118662235.db2.gz VPAFXTLIQMQNNA-PLNGDYQASA-N 0 0 278.286 3.665 10 30 CHEERN O=C(/C=C\c1cocn1)c1ccc(Cl)c(Cl)c1 ZINC000588561544 1119265442 /nfs/dbraw/zinc/26/54/42/1119265442.db2.gz HYCQTJFPDMIBKE-RQOWECAXSA-N 0 0 268.099 3.878 10 30 CHEERN N#Cc1ccc(CON=Cc2ccc(Cl)cc2)cc1F ZINC000588581526 1119402735 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ZINC000329452330 1123612078 /nfs/dbraw/zinc/61/20/78/1123612078.db2.gz MEYFOJSZHVSITQ-UIYDWDDBSA-N 0 0 290.407 3.667 10 30 CHEERN C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329839304 1123655996 /nfs/dbraw/zinc/65/59/96/1123655996.db2.gz NRKBOJZHXFIYMT-IOASZLSFSA-N 0 0 291.395 3.562 10 30 CHEERN Brc1ccccc1C#Cc1ccccc1 ZINC000095915247 185031055 /nfs/dbraw/zinc/03/10/55/185031055.db2.gz IFCMLNNQRSTEGN-UHFFFAOYSA-N 0 0 257.130 3.849 10 30 CHEERN N#Cc1nccc2c(Br)c(Cl)ccc12 ZINC000082766699 178281346 /nfs/dbraw/zinc/28/13/46/178281346.db2.gz GRDHGLHDLVKSIK-UHFFFAOYSA-N 0 0 267.513 3.522 10 30 CHEERN Cc1cc(C#N)c2cc(OCc3ccccc3)ccc2n1 ZINC000082768544 178283562 /nfs/dbraw/zinc/28/35/62/178283562.db2.gz REVYBABXHCJUKF-UHFFFAOYSA-N 0 0 274.323 3.994 10 30 CHEERN O=C1c2cc(Cl)ccc2OC/C1=C\c1ccccc1 ZINC000002574037 169811901 /nfs/dbraw/zinc/81/19/01/169811901.db2.gz NCEBJFAQFWAWAC-XYOKQWHBSA-N 0 0 270.715 3.999 10 30 CHEERN CCCCCCCCCCCC(=O)N(C)CC(=O)OCC ZINC000100302402 185711360 /nfs/dbraw/zinc/71/13/60/185711360.db2.gz SYMLPHXUMNTFCM-UHFFFAOYSA-N 0 0 299.455 3.929 10 30 CHEERN CCCCCCCOc1ccc(/C(N)=N/O)cc1Cl ZINC000103744801 185856921 /nfs/dbraw/zinc/85/69/21/185856921.db2.gz KYRQWSADLIOIKI-UHFFFAOYSA-N 0 0 284.787 3.784 10 30 CHEERN CCOc1ccccc1Oc1ccc(F)cc1C#N ZINC000104252031 185944486 /nfs/dbraw/zinc/94/44/86/185944486.db2.gz HDFZOEYFCBHMRV-UHFFFAOYSA-N 0 0 257.264 3.888 10 30 CHEERN Cc1cc(NCCSC(C)(C)C)c(C#N)c(C)n1 ZINC000301804310 261341773 /nfs/dbraw/zinc/34/17/73/261341773.db2.gz XEXLPHHIKPCLAC-UHFFFAOYSA-N 0 0 263.410 3.514 10 30 CHEERN CCOc1ccc(/C=N/c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000000502716 169657650 /nfs/dbraw/zinc/65/76/50/169657650.db2.gz CRPSSWXITVWRSN-CPNJWEJPSA-N 0 0 296.370 3.819 10 30 CHEERN O=[N+]([O-])c1ccc(/N=C/c2ccccn2)c(C(F)(F)F)c1 ZINC000004964240 170046225 /nfs/dbraw/zinc/04/62/25/170046225.db2.gz FNGJBAOUXHLSAG-QGMBQPNBSA-N 0 0 295.220 3.759 10 30 CHEERN Clc1ccc2c(c1)nccc2NN=Cc1cccnc1 ZINC000005163803 170072952 /nfs/dbraw/zinc/07/29/52/170072952.db2.gz WTCHDUNWZHYYBS-VXLYETTFSA-N 0 0 282.734 3.729 10 30 CHEERN CC(Cc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000005257046 170080530 /nfs/dbraw/zinc/08/05/30/170080530.db2.gz ONTSJNFEGXJCLQ-FOWTUZBSSA-N 0 0 269.304 3.625 10 30 CHEERN Cc1cc([N+](=O)[O-])c(C)cc1NC1=CC(=O)CC(C)(C)C1 ZINC000005361699 170089539 /nfs/dbraw/zinc/08/95/39/170089539.db2.gz KVBLMYYJMTXAOX-UHFFFAOYSA-N 0 0 288.347 3.897 10 30 CHEERN CCC(N=Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005414694 170096535 /nfs/dbraw/zinc/09/65/35/170096535.db2.gz PDMPJRRMECSIDE-DTQAZKPQSA-N 0 0 269.304 3.821 10 30 CHEERN Cc1cccc(/C=N/c2sc3c(c2C(N)=O)CCCC3)c1 ZINC000005547891 170111689 /nfs/dbraw/zinc/11/16/89/170111689.db2.gz NETBZBZJDMMLPF-VXLYETTFSA-N 0 0 298.411 3.785 10 30 CHEERN N#CCCn1c2ccccc2nc1Cc1ccc(F)cc1 ZINC000005635577 170122533 /nfs/dbraw/zinc/12/25/33/170122533.db2.gz WDBJURXUHKGXKJ-UHFFFAOYSA-N 0 0 279.318 3.680 10 30 CHEERN C[C@@H]1CS/C(=N\[C@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)O1 ZINC000005722256 170133091 /nfs/dbraw/zinc/13/30/91/170133091.db2.gz RKVKWHNRFHTLQU-UTIKJZAXSA-N 0 0 253.411 3.709 10 30 CHEERN C/C(=N\OC(=O)/C=C/c1ccccc1)c1cccs1 ZINC000005725420 170133742 /nfs/dbraw/zinc/13/37/42/170133742.db2.gz GVQCRJWWXOHEMW-HMSDUJDUSA-N 0 0 271.341 3.729 10 30 CHEERN COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC/C(=N/N)[C@@]3(C)CC[C@H]21 ZINC000006824794 170246831 /nfs/dbraw/zinc/24/68/31/170246831.db2.gz SOXXAISJFSZAOS-PCMLPYMHSA-N 0 0 298.430 3.866 10 30 CHEERN COc1cccc(C=NNc2cccc(Cl)c2)c1OC ZINC000007949325 170309223 /nfs/dbraw/zinc/30/92/23/170309223.db2.gz LAFGFHNUVVXYCQ-LICLKQGHSA-N 0 0 290.750 3.803 10 30 CHEERN N#Cc1ccc(-c2cnnc(-c3ccccc3)c2)cc1 ZINC000013673496 170575880 /nfs/dbraw/zinc/57/58/80/170575880.db2.gz YICWHQNQWIQUMG-UHFFFAOYSA-N 0 0 257.296 3.682 10 30 CHEERN N#Cc1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000014547216 170636393 /nfs/dbraw/zinc/63/63/93/170636393.db2.gz SYNGGEXPANYQDB-HFTRVMKXSA-N 0 0 273.339 3.780 10 30 CHEERN C=CCOc1ccc(NC(=O)Cc2ccccc2C)cc1 ZINC000014562149 170637582 /nfs/dbraw/zinc/63/75/82/170637582.db2.gz WMOCEYGBPAZHOU-UHFFFAOYSA-N 0 0 281.355 3.741 10 30 CHEERN N#Cc1ccc(F)c(CSc2ccccc2N)c1 ZINC000019422834 170792942 /nfs/dbraw/zinc/79/29/42/170792942.db2.gz DWFLTNJYDXIQLJ-UHFFFAOYSA-N 0 0 258.321 3.572 10 30 CHEERN C#Cc1cccc(N[C@@H](C)c2ccc(OC)cc2)c1 ZINC000019876911 170905570 /nfs/dbraw/zinc/90/55/70/170905570.db2.gz OYKQBTXEXXISAW-ZDUSSCGKSA-N 0 0 251.329 3.850 10 30 CHEERN C#Cc1cccc(N[C@H](CC)c2ccc(O)cc2)c1 ZINC000019876923 170905679 /nfs/dbraw/zinc/90/56/79/170905679.db2.gz GKXDEKBQLOEXOW-QGZVFWFLSA-N 0 0 251.329 3.937 10 30 CHEERN C[C@@H](Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000019951224 170939762 /nfs/dbraw/zinc/93/97/62/170939762.db2.gz TXSMVFKCVCTYGZ-GFCCVEGCSA-N 0 0 280.327 3.503 10 30 CHEERN CCCCCN[C@H](C#N)c1c(F)cccc1Cl ZINC000020175317 171041942 /nfs/dbraw/zinc/04/19/42/171041942.db2.gz MTYWXIDQZQLYFD-GFCCVEGCSA-N 0 0 254.736 3.824 10 30 CHEERN CCCOc1cccc([C@@H](C#N)NC2CCCCC2)c1 ZINC000020176654 171042404 /nfs/dbraw/zinc/04/24/04/171042404.db2.gz PJIDLZFQQTZIIB-QGZVFWFLSA-N 0 0 272.392 3.962 10 30 CHEERN COc1cccc([C@@H](C#N)NC2CCCCCC2)c1OC ZINC000020176960 171043167 /nfs/dbraw/zinc/04/31/67/171043167.db2.gz IXFZKMIIVJNLEP-OAHLLOKOSA-N 0 0 288.391 3.581 10 30 CHEERN N#Cc1ccccc1OCc1ccc2ccccc2n1 ZINC000020246553 171099888 /nfs/dbraw/zinc/09/98/88/171099888.db2.gz VVWJWJSFEORZFG-UHFFFAOYSA-N 0 0 260.296 3.685 10 30 CHEERN N#CCc1ccc(Oc2cccc(Cl)c2CO)cc1 ZINC000020435310 171201262 /nfs/dbraw/zinc/20/12/62/171201262.db2.gz BZYVQSJHBBBYQS-UHFFFAOYSA-N 0 0 273.719 3.691 10 30 CHEERN CCCCCCOc1ccc(/C(C)=N/O)cc1OC ZINC000020519799 171233672 /nfs/dbraw/zinc/23/36/72/171233672.db2.gz DLTWXDNOKYAFSA-FOWTUZBSSA-N 0 0 265.353 3.853 10 30 CHEERN CCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000020754420 171271583 /nfs/dbraw/zinc/27/15/83/171271583.db2.gz RLKNIWMQRHBHKU-LFIBNONCSA-N 0 0 269.304 3.603 10 30 CHEERN CC(C)(C)c1ccccc1Oc1ccc(/C(N)=N/O)cc1 ZINC000021015166 171289522 /nfs/dbraw/zinc/28/95/22/171289522.db2.gz BETGZLDVAGQRKP-UHFFFAOYSA-N 0 0 284.359 3.871 10 30 CHEERN C[C@@](O)(C#Cc1ccccc1)c1ccc(Cl)cc1 ZINC000021988319 171345489 /nfs/dbraw/zinc/34/54/89/171345489.db2.gz GSNVLHKMDXKKJC-MRXNPFEDSA-N 0 0 256.732 3.599 10 30 CHEERN Cc1ccc(C(C)N=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000035003551 171926695 /nfs/dbraw/zinc/92/66/95/171926695.db2.gz XPOYYOJWBYOIOF-VBKFSLOCSA-N 0 0 269.304 3.739 10 30 CHEERN N#CCc1ccc(NCCCc2ccccc2)cc1 ZINC000035037785 171944131 /nfs/dbraw/zinc/94/41/31/171944131.db2.gz BTKVNHMZXUPKRY-UHFFFAOYSA-N 0 0 250.345 3.797 10 30 CHEERN CC[C@H]1CSC(Nc2cccc3ccccc32)=N1 ZINC000035082608 171968156 /nfs/dbraw/zinc/96/81/56/171968156.db2.gz XCWHBGIFDPXQGZ-LBPRGKRZSA-N 0 0 256.374 3.942 10 30 CHEERN C[C@@H](CNc1cccc(F)c1C#N)c1ccccc1 ZINC000035134960 172001831 /nfs/dbraw/zinc/00/18/31/172001831.db2.gz CBSKVJCSYHMCQB-LBPRGKRZSA-N 0 0 254.308 3.913 10 30 CHEERN Cc1cc(Br)ccc1NC1=NC(C)(C)CS1 ZINC000035294517 172106580 /nfs/dbraw/zinc/10/65/80/172106580.db2.gz VTAOSYJPJLWQHT-UHFFFAOYSA-N 0 0 299.237 3.860 10 30 CHEERN CC1(C)CSC(Nc2cc(Cl)ccc2F)=N1 ZINC000035295456 172107024 /nfs/dbraw/zinc/10/70/24/172107024.db2.gz NMCXGCXMAOXRJL-UHFFFAOYSA-N 0 0 258.749 3.582 10 30 CHEERN Cc1ccc(Cl)cc1NC1=NC(C)(C)CS1 ZINC000035295171 172107239 /nfs/dbraw/zinc/10/72/39/172107239.db2.gz AHXONKJXPOPNDS-UHFFFAOYSA-N 0 0 254.786 3.751 10 30 CHEERN Cc1cc(Cl)ccc1Oc1ccc(C#N)cc1N ZINC000035674889 172345053 /nfs/dbraw/zinc/34/50/53/172345053.db2.gz GOYXETBSKLPJAJ-UHFFFAOYSA-N 0 0 258.708 3.895 10 30 CHEERN CCC[C@@H](C)N(C)c1c(C#N)cnc2ccccc21 ZINC000036913354 172799890 /nfs/dbraw/zinc/79/98/90/172799890.db2.gz FXYDNZPHEJHCRK-GFCCVEGCSA-N 0 0 253.349 3.731 10 30 CHEERN CC(C)c1ccc(Sc2ncc(N)cc2C#N)cc1 ZINC000037759408 173684969 /nfs/dbraw/zinc/68/49/69/173684969.db2.gz MXWYPSAWRQRDOB-UHFFFAOYSA-N 0 0 269.373 3.810 10 30 CHEERN Cc1ccc([C@@H](C#N)NCc2cccs2)c(C)c1 ZINC000037939566 173879080 /nfs/dbraw/zinc/87/90/80/173879080.db2.gz NZXLGIPKXWPFAA-OAHLLOKOSA-N 0 0 256.374 3.719 10 30 CHEERN CC[C@H](C)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000038064551 174075439 /nfs/dbraw/zinc/07/54/39/174075439.db2.gz AQKSLNQDOACTJJ-CABZTGNLSA-N 0 0 272.270 3.538 10 30 CHEERN CC[C@H](C)N[C@]1(C#N)CCC(C)(C)c2ccccc21 ZINC000038064411 174075518 /nfs/dbraw/zinc/07/55/18/174075518.db2.gz XYKUTFUWBUTONS-GUYCJALGSA-N 0 0 256.393 3.865 10 30 CHEERN N#C[C@@]1(N2CCCCCC2)CCSc2ccccc21 ZINC000038086215 174096981 /nfs/dbraw/zinc/09/69/81/174096981.db2.gz UCFIAPCUPHSPTF-INIZCTEOSA-N 0 0 272.417 3.777 10 30 CHEERN N#CCSc1ccnc2ccc(Br)cc21 ZINC000040175303 174201126 /nfs/dbraw/zinc/20/11/26/174201126.db2.gz DJCODTSSTOULTG-UHFFFAOYSA-N 0 0 279.162 3.613 10 30 CHEERN C#CCn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250371 174215770 /nfs/dbraw/zinc/21/57/70/174215770.db2.gz YSKOIYODFINROD-UHFFFAOYSA-N 0 0 266.731 3.990 10 30 CHEERN C=C(C)Cn1c(CNC(=O)C(CC)CC)nc2ccccc21 ZINC000040274989 174218583 /nfs/dbraw/zinc/21/85/83/174218583.db2.gz CAXVQMAGRFHXFI-UHFFFAOYSA-N 0 0 299.418 3.665 10 30 CHEERN CCC(C#N)(CC)NC(=O)c1ccc(Cl)cc1Cl ZINC000040452018 174266404 /nfs/dbraw/zinc/26/64/04/174266404.db2.gz RLQAPYBTCQGOBV-UHFFFAOYSA-N 0 0 285.174 3.806 10 30 CHEERN N#Cc1ccccc1OCc1cc(Br)cs1 ZINC000043687147 175095043 /nfs/dbraw/zinc/09/50/43/175095043.db2.gz NSAOQZFXQSGSMY-UHFFFAOYSA-N 0 0 294.173 3.961 10 30 CHEERN N#CCc1c(C(F)(F)F)cccc1C(F)(F)F ZINC000044370861 175168262 /nfs/dbraw/zinc/16/82/62/175168262.db2.gz FEVSGILCUHGGLS-UHFFFAOYSA-N 0 0 253.145 3.790 10 30 CHEERN CCOc1ccc(-c2cc(O)cc(C#N)c2)c(C)c1 ZINC000065341534 175711182 /nfs/dbraw/zinc/71/11/82/175711182.db2.gz MBLAMBDVRLFXBS-UHFFFAOYSA-N 0 0 253.301 3.638 10 30 CHEERN N#Cc1ccc(Nc2ncnc(Cl)c2F)c(Cl)c1 ZINC000079016931 177415880 /nfs/dbraw/zinc/41/58/80/177415880.db2.gz WBCHJNBQJGWIPF-UHFFFAOYSA-N 0 0 283.093 3.538 10 30 CHEERN N#C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000333617818 228207211 /nfs/dbraw/zinc/20/72/11/228207211.db2.gz XYKSRNLIGBCIDL-BRSBDYLESA-N 0 0 296.414 3.769 10 30 CHEERN O=C(/C=C/C=C\c1ccc(O)cc1)CCc1ccc(O)cc1 ZINC000013378209 260069914 /nfs/dbraw/zinc/06/99/14/260069914.db2.gz QIROPQQWKBMABC-HSFFGMMNSA-N 0 0 294.350 3.869 10 30 biogenic,in-vitro CHEERN C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000180412031 260101183 /nfs/dbraw/zinc/10/11/83/260101183.db2.gz YMVZISRBPAUMBH-DLBZAZTESA-N 0 0 271.404 3.948 10 30 CHEERN CC[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1nccs1 ZINC000086038546 260206943 /nfs/dbraw/zinc/20/69/43/260206943.db2.gz AKOXLGOMZWDAOI-ISXOHVOVSA-N 0 0 297.427 3.808 10 30 CHEERN CCCCCCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127574837 260369261 /nfs/dbraw/zinc/36/92/61/260369261.db2.gz LKBKZQYVQJWEOW-DOTOQJQBSA-N 0 0 281.440 3.501 10 30 CHEERN C[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)C(C)(C)C ZINC000108943369 261390032 /nfs/dbraw/zinc/39/00/32/261390032.db2.gz NJSMTSLORMGRQQ-JSGCOSHPSA-N 0 0 264.413 3.647 10 30 CHEERN C[C@H](NCCC#N)c1ccc(-c2ccccc2)cc1 ZINC000020199599 262232616 /nfs/dbraw/zinc/23/26/16/262232616.db2.gz AQTNXWHXRAOBNU-AWEZNQCLSA-N 0 0 250.345 3.918 10 30 CHEERN C[C@@H](COCc1ccccc1)Nc1cccc(F)c1C#N ZINC000390693327 262241570 /nfs/dbraw/zinc/24/15/70/262241570.db2.gz BHOCLHWXIPPPEZ-ZDUSSCGKSA-N 0 0 284.334 3.715 10 30 CHEERN Clc1cccc(C#CCN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000121828693 263298234 /nfs/dbraw/zinc/29/82/34/263298234.db2.gz DAYNLRWXKFFKME-KRWDZBQOSA-N 0 0 299.805 3.642 10 30 CHEERN Cc1nc([C@H](C)NC(=O)C[C@H]2CCCCC(=O)N2)cs1 ZINC000328637361 263829947 /nfs/dbraw/zinc/82/99/47/263829947.db2.gz CURKUFJUQNMHNR-GXSJLCMTSA-N 0 0 295.408 3.758 10 30 CHEERN Cc1cnc([C@H](C)NC(=O)C[C@@H]2CCCCC(=O)N2)s1 ZINC000328675185 263837753 /nfs/dbraw/zinc/83/77/53/263837753.db2.gz QPAZVEAPEPHVBZ-QWRGUYRKSA-N 0 0 295.408 3.758 10 30 CHEERN CO[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000070326334 264235568 /nfs/dbraw/zinc/23/55/68/264235568.db2.gz LCFQUXSVRHSKRF-YPMHNXCESA-N 0 0 264.756 3.581 10 30 CHEERN CC[C@H](CNc1nccnc1C#N)c1ccc(Cl)cc1 ZINC000132267379 264386589 /nfs/dbraw/zinc/38/65/89/264386589.db2.gz XSEJGHNDORXGQG-LLVKDONJSA-N 0 0 286.766 3.607 10 30 CHEERN N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116406086 267152065 /nfs/dbraw/zinc/15/20/65/267152065.db2.gz GMJCYXQBCHVETF-CQSZACIVSA-N 0 0 281.315 3.520 10 30 CHEERN N#Cc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116406152 267152275 /nfs/dbraw/zinc/15/22/75/267152275.db2.gz AXCVFEYTQDUJII-AWEZNQCLSA-N 0 0 281.315 3.520 10 30 CHEERN N#Cc1c(F)cccc1N[C@@H]1CCc2c1cccc2F ZINC000049322106 328354933 /nfs/dbraw/zinc/35/49/33/328354933.db2.gz PEUOJDBHILZZND-MRXNPFEDSA-N 0 0 270.282 3.936 10 30 CHEERN C[C@H]1CC[C@H](NC(=O)c2sccc2C#N)c2ccccc21 ZINC000159456092 327196279 /nfs/dbraw/zinc/19/62/79/327196279.db2.gz FAOCNXPPKUPJLV-NHYWBVRUSA-N 0 0 296.395 3.988 10 30 CHEERN C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116040553 328933710 /nfs/dbraw/zinc/93/37/10/328933710.db2.gz FKRWAAQHNGIALC-MRXNPFEDSA-N 0 0 297.354 3.822 10 30 CHEERN N#CCC(=O)N1CCC[C@H]1c1cccc(Cl)c1Cl ZINC000368416733 328938077 /nfs/dbraw/zinc/93/80/77/328938077.db2.gz MLBCUWZBLMUZMC-NSHDSACASA-N 0 0 283.158 3.571 10 30 CHEERN N#Cc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117723136 328942819 /nfs/dbraw/zinc/94/28/19/328942819.db2.gz DZXZNNGKJFDRLV-UHFFFAOYSA-N 0 0 294.379 3.549 10 30 CHEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000181401244 329232532 /nfs/dbraw/zinc/23/25/32/329232532.db2.gz MDEIHSMCTWSNPC-KGLIPLIRSA-N 0 0 276.380 3.871 10 30 CHEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000181401225 329232607 /nfs/dbraw/zinc/23/26/07/329232607.db2.gz MDEIHSMCTWSNPC-KBPBESRZSA-N 0 0 276.380 3.871 10 30 CHEERN C=C(C)C[C@@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000185606600 329327835 /nfs/dbraw/zinc/32/78/35/329327835.db2.gz GWDNQIJPXHLCFI-CYBMUJFWSA-N 0 0 275.417 3.966 10 30 CHEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)COC ZINC000189894450 329388830 /nfs/dbraw/zinc/38/88/30/329388830.db2.gz LAQHCDJZFARLMU-CYBMUJFWSA-N 0 0 275.392 3.760 10 30 CHEERN C=CCC1(c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)CCC1 ZINC000191342444 329412761 /nfs/dbraw/zinc/41/27/61/329412761.db2.gz ZFUHFGQFPFSWKT-STQMWFEESA-N 0 0 290.407 3.986 10 30 CHEERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000247151045 329876812 /nfs/dbraw/zinc/87/68/12/329876812.db2.gz YROQTLOGQJZYBG-XOKHGSTOSA-N 0 0 284.403 3.674 10 30 CHEERN C=CCOc1ccccc1C(=O)N[C@H](C)c1cccs1 ZINC000045052780 330337463 /nfs/dbraw/zinc/33/74/63/330337463.db2.gz KBUNJHDAHOKDAZ-GFCCVEGCSA-N 0 0 287.384 3.804 10 30 CHEERN CO[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000086114630 330368875 /nfs/dbraw/zinc/36/88/75/330368875.db2.gz VMHRYDCWKMTNHI-QWHCGFSZSA-N 0 0 264.756 3.581 10 30 CHEERN Cc1nc([C@H](C)Nc2ccc(F)cc2C#N)cs1 ZINC000097635594 330448153 /nfs/dbraw/zinc/44/81/53/330448153.db2.gz XAQFZAHSQNYBJC-QMMMGPOBSA-N 0 0 261.325 3.635 10 30 CHEERN C=CCCCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000175236396 333018122 /nfs/dbraw/zinc/01/81/22/333018122.db2.gz IRJILAZPVCKDIU-NSHDSACASA-N 0 0 296.208 3.983 10 30 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N#Cc1ccc(Cl)cc1Oc1ccc2c(c1)OCO2 ZINC000062790189 526636225 /nfs/dbraw/zinc/63/62/25/526636225.db2.gz XGUHZLASCLBTCC-UHFFFAOYSA-N 0 0 273.675 3.733 10 30 CHEERN O=C(Cc1ccc(C(F)(F)F)cc1)C1=CCCC1 ZINC000050518257 527219029 /nfs/dbraw/zinc/21/90/29/527219029.db2.gz MADPOBBVHJBETD-UHFFFAOYSA-N 0 0 254.251 3.927 10 30 CHEERN CC(C)(C)CCc1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333890313 527678537 /nfs/dbraw/zinc/67/85/37/527678537.db2.gz YPAKFNMSMAUSBW-MRXNPFEDSA-N 0 0 273.380 3.774 10 30 CHEERN CCC[C@@H](Nc1ccccc1C#N)n1nnc2ccccc21 ZINC000000405653 567829453 /nfs/dbraw/zinc/82/94/53/567829453.db2.gz ARTVWOBJGQVJME-KRWDZBQOSA-N 0 0 291.358 3.714 10 30 CHEERN N#Cc1c(/N=C/c2ccoc2)sc2c1CCCC2 ZINC000100419492 567913220 /nfs/dbraw/zinc/91/32/20/567913220.db2.gz GUZPHFKJMCEDCS-LZYBPNLTSA-N 0 0 256.330 3.842 10 30 CHEERN C/C=C/C1CC(=O)C(C(CC)=NOC/C=C/Cl)C(=O)C1 ZINC000102210512 567941526 /nfs/dbraw/zinc/94/15/26/567941526.db2.gz MRANIELUPFGJJG-IIHYVDRQSA-N 0 0 297.782 3.889 10 30 in-vitro CHEERN C=CC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020873966 570346153 /nfs/dbraw/zinc/34/61/53/570346153.db2.gz KVBAWHVYHFLGLS-UHFFFAOYSA-N 0 0 297.398 3.858 10 30 CHEERN Cc1nc(C#N)sc1-c1cccc(Br)c1 ZINC000669380915 570352470 /nfs/dbraw/zinc/35/24/70/570352470.db2.gz RYRGJPXVDRTOMM-UHFFFAOYSA-N 0 0 279.162 3.753 10 30 CHEERN CC[C@H](CC#N)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000588558059 1119258769 /nfs/dbraw/zinc/25/87/69/1119258769.db2.gz DUJIYBUJJCOSCC-JMEBYUIHSA-N 0 0 292.404 3.689 10 30 CHEERN N#C[C@@H]1CCC[C@H]1NC(=O)C(C1CCC1)C1CCC1 ZINC000328611342 1118048784 /nfs/dbraw/zinc/04/87/84/1118048784.db2.gz OJNXJSHUIPGPAO-UONOGXRCSA-N 0 0 260.381 3.852 10 30 CHEERN O=C(/C=C\c1cccc2cnccc12)c1ccncc1 ZINC000588423511 1118665961 /nfs/dbraw/zinc/66/59/61/1118665961.db2.gz SWFLWIIBPVLYCH-PLNGDYQASA-N 0 0 260.296 3.526 10 30 CHEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1ccc(C#N)cc1 ZINC000588450105 1118793436 /nfs/dbraw/zinc/79/34/36/1118793436.db2.gz ULZZSZVTUQSJHU-CLFYSBASSA-N 0 0 292.294 3.671 10 30 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/nfs/dbraw/zinc/46/12/97/524461297.db2.gz NNYKUIWTMYUZKS-HNNXBMFYSA-N 0 0 262.422 3.509 10 30 CHEERN COc1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1F ZINC000054825002 524711438 /nfs/dbraw/zinc/71/14/38/524711438.db2.gz YKHQQYNMNIGFKN-RISCZKNCSA-N 0 0 262.328 3.719 10 30 CHEERN C[C@H](Cc1ccsc1)N(C)c1ccc(C#N)cc1 ZINC000301486618 524760105 /nfs/dbraw/zinc/76/01/05/524760105.db2.gz HVRFHESAIZJXJN-GFCCVEGCSA-N 0 0 256.374 3.687 10 30 CHEERN C[C@]1(O)CC(=O)C=C(c2ccc(-c3cccc(F)c3)o2)C1 ZINC000040538611 525301253 /nfs/dbraw/zinc/30/12/53/525301253.db2.gz ZERNZSFHBJIRRD-QGZVFWFLSA-N 0 0 286.302 3.583 10 30 CHEERN Oc1ccc(N=Cc2cc(Cl)nc(Cl)c2)cc1 ZINC000255004271 526351516 /nfs/dbraw/zinc/35/15/16/526351516.db2.gz XCVQHNGOJBGUFL-UHFFFAOYSA-N 0 0 267.115 3.845 10 30 CHEERN N#CCc1nc(-c2ccc(F)c(Br)c2)cs1 ZINC000061689248 526487048 /nfs/dbraw/zinc/48/70/48/526487048.db2.gz DOQOOBOJJXUDGZ-UHFFFAOYSA-N 0 0 297.152 3.778 10 30 CHEERN Cc1n[nH]c(C)c1CNc1ccc(C(F)(F)F)cc1C#N ZINC000157403229 526495644 /nfs/dbraw/zinc/49/56/44/526495644.db2.gz RGKWRGCPJIECRP-UHFFFAOYSA-N 0 0 294.280 3.529 10 30 CHEERN N#C[C@H](C(=O)c1cc(F)ccc1F)c1cccs1 ZINC000052902492 526506855 /nfs/dbraw/zinc/50/68/55/526506855.db2.gz SAZDNBMVOVNNMW-JTQLQIEISA-N 0 0 263.268 3.516 10 30 CHEERN N#Cc1cc2c(nc1N)CCCCCCCCCC2 ZINC000050871243 526578910 /nfs/dbraw/zinc/57/89/10/526578910.db2.gz HLQPHFPUWDRTRQ-UHFFFAOYSA-N 0 0 257.381 3.755 10 30 CHEERN N#Cc1ccc(CNc2ccnc3c(F)cc(F)cc23)cc1 ZINC000159652780 526629307 /nfs/dbraw/zinc/62/93/07/526629307.db2.gz KBNUXUYYCUQQGH-UHFFFAOYSA-N 0 0 295.292 3.997 10 30 CHEERN N#Cc1ccc(Cl)cc1OCCc1ccccc1 ZINC000062790198 526636675 /nfs/dbraw/zinc/63/66/75/526636675.db2.gz HTVUUURGNLRGKL-UHFFFAOYSA-N 0 0 257.720 3.833 10 30 CHEERN Clc1cccc(C=NNc2nc3ccccc3[nH]2)c1 ZINC000051075700 526975104 /nfs/dbraw/zinc/97/51/04/526975104.db2.gz HIFCHOWBKVSDFM-SXGWCWSVSA-N 0 0 270.723 3.662 10 30 CHEERN CC(=O)c1ccc(C#N)c(N[C@H](C)c2cccs2)c1 ZINC000302088701 527227766 /nfs/dbraw/zinc/22/77/66/527227766.db2.gz FXRJEQUMCNYOKH-SNVBAGLBSA-N 0 0 270.357 3.995 10 30 CHEERN CC(C)(C)CCc1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333890309 527678593 /nfs/dbraw/zinc/67/85/93/527678593.db2.gz YPAKFNMSMAUSBW-INIZCTEOSA-N 0 0 273.380 3.774 10 30 CHEERN C=C1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000003922920 567854736 /nfs/dbraw/zinc/85/47/36/567854736.db2.gz NFDPYPMRHKQTDM-NHWXPXPKSA-N 0 0 298.426 3.821 10 30 in-vitro CHEERN SCc1cc(-c2cc(Br)cs2)on1 ZINC000725252002 567910129 /nfs/dbraw/zinc/91/01/29/567910129.db2.gz CDAOMJYNZUCWMA-UHFFFAOYSA-N 0 0 276.180 3.595 10 30 CHEERN Cc1oc(C)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)c1C ZINC000328611906 567931844 /nfs/dbraw/zinc/93/18/44/567931844.db2.gz NCCOLOXPHHJEQX-HIFRSBDPSA-N 0 0 293.407 3.961 10 30 CHEERN FC(F)(F)c1ccc(-c2cc(CS)no2)s1 ZINC000725252482 570256842 /nfs/dbraw/zinc/25/68/42/570256842.db2.gz LBQXTDKEBJBDPA-UHFFFAOYSA-N 0 0 265.281 3.852 10 30 CHEERN Cc1nc(C#N)sc1-c1ccc(Br)cc1 ZINC000669380627 570352521 /nfs/dbraw/zinc/35/25/21/570352521.db2.gz NSHMEOXGWILAEV-UHFFFAOYSA-N 0 0 279.162 3.753 10 30 CHEERN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])sc1C ZINC000692255093 976409337 /nfs/dbraw/zinc/40/93/37/976409337.db2.gz RASCGYFCTZHOLP-JSGCOSHPSA-N 0 0 293.432 3.979 10 30 CHEERN O=C1c2ccccc2OC/C1=C\c1cccc2cnccc12 ZINC000588423569 1118665840 /nfs/dbraw/zinc/66/58/40/1118665840.db2.gz XSSCGZOYAORPHP-XNTDXEJSSA-N 0 0 287.318 3.894 10 30 CHEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1ccc(C#N)s1 ZINC000588450322 1118794252 /nfs/dbraw/zinc/79/42/52/1118794252.db2.gz YOBZMZBRBSOVQT-UTCJRWHESA-N 0 0 298.323 3.733 10 30 CHEERN Cc1cccnc1/C=C\C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000588454459 1118801641 /nfs/dbraw/zinc/80/16/41/1118801641.db2.gz GYGBQFUHUWQFIA-CFYYFVFUSA-N 0 0 292.338 3.579 10 30 CHEERN Cc1ccc(C(C)C)c2c1C(=O)/C(=C\c1csnn1)O2 ZINC000588550899 1119224284 /nfs/dbraw/zinc/22/42/84/1119224284.db2.gz ZEZFLRGGTMMACK-WUXMJOGZSA-N 0 0 286.356 3.586 10 30 CHEERN O=C(/C=C\c1cocn1)c1cc2cc(Cl)ccc2o1 ZINC000588561395 1119265101 /nfs/dbraw/zinc/26/51/01/1119265101.db2.gz FRYAONYQZMVHSO-IHWYPQMZSA-N 0 0 273.675 3.970 10 30 CHEERN O=C(/C=C\c1cocn1)c1cccc(Cl)c1Cl ZINC000588579461 1119379094 /nfs/dbraw/zinc/37/90/94/1119379094.db2.gz PGCUWNASQVHSSN-PLNGDYQASA-N 0 0 268.099 3.878 10 30 CHEERN O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCc2cccnc21 ZINC000329340035 1119396611 /nfs/dbraw/zinc/39/66/11/1119396611.db2.gz ZHJJFDAEKRLYRY-HUUCEWRRSA-N 0 0 294.354 3.592 10 30 CHEERN Cc1noc(C)c1NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000329737588 1119492100 /nfs/dbraw/zinc/49/21/00/1119492100.db2.gz TWGAEFYMIPXLLY-CXAGYDPISA-N 0 0 298.342 3.620 10 30 CHEERN O=C(/C=C\c1c(C2CC2)nc2sccn12)c1ccncc1 ZINC000588386450 1120067517 /nfs/dbraw/zinc/06/75/17/1120067517.db2.gz UAZZSRVVORQEIM-ARJAWSKDSA-N 0 0 295.367 3.564 10 30 CHEERN C[C@H](C(=O)N[C@H]1CCC(=O)NC12CCC2)c1cccs1 ZINC000328746448 1123109840 /nfs/dbraw/zinc/10/98/40/1123109840.db2.gz OSJGVLLPTDOCDA-JQWIXIFHSA-N 0 0 292.404 3.850 10 30 CHEERN CCN(CC)C(=O)c1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000193109526 1123193879 /nfs/dbraw/zinc/19/38/79/1123193879.db2.gz RYBUDBBFVXFHNH-GDBMZVCRSA-N 0 0 299.418 3.663 10 30 CHEERN C=CCC1(C(=O)N[C@H]2CCOc3c(C)cccc32)CCC1 ZINC000190904165 1125320856 /nfs/dbraw/zinc/32/08/56/1125320856.db2.gz IYQFLAKXPSXYNR-HNNXBMFYSA-N 0 0 285.387 3.681 10 30 CHEERN C#Cc1cccc(N(CC)C(=O)CSC(C)(C)C)c1 ZINC000103028952 1129684924 /nfs/dbraw/zinc/68/49/24/1129684924.db2.gz LRBFEZKFCDIYED-UHFFFAOYSA-N 0 0 275.417 3.553 10 30 CHEERN CC(C)(C)OC(=O)Nc1cccc2c1[C@@H](C#N)CCC2 ZINC000095775719 185028087 /nfs/dbraw/zinc/02/80/87/185028087.db2.gz ZXEAAOPQASHSBU-GFCCVEGCSA-N 0 0 272.348 3.977 10 30 CHEERN COC(=O)CC=C(Nc1cccc(C)c1)C(F)(F)F ZINC000095930825 185032387 /nfs/dbraw/zinc/03/23/87/185032387.db2.gz NMHFAQZLODWSQR-BOPFTXTBSA-N 0 0 273.254 3.583 10 30 CHEERN COc1ccc(C#N)c2cc(Br)sc21 ZINC000096947197 185136937 /nfs/dbraw/zinc/13/69/37/185136937.db2.gz AEFQJYKKHVLNKN-UHFFFAOYSA-N 0 0 268.135 3.544 10 30 CHEERN Cc1ccc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)o1 ZINC000336817891 334953083 /nfs/dbraw/zinc/95/30/83/334953083.db2.gz SGJMRLJXMCIORN-JTQLQIEISA-N 0 0 275.739 3.990 10 30 CHEERN C[C@H]1CCCC[C@H]1N1C(=O)CS/C1=N\c1ccccc1 ZINC000085400293 179051817 /nfs/dbraw/zinc/05/18/17/179051817.db2.gz LPBOFYQJSRQPSH-SXLZIHSGSA-N 0 0 288.416 3.828 10 30 CHEERN CC(=CC(=O)c1ccccc1)Nc1ccccc1O ZINC000101413411 185740136 /nfs/dbraw/zinc/74/01/36/185740136.db2.gz ZIIGWJIVVIJZMO-QXMHVHEDSA-N 0 0 253.301 3.591 10 30 CHEERN C[C@@H](Cc1ccccc1)Nc1ccc(F)cc1C#N ZINC000104230357 185938348 /nfs/dbraw/zinc/93/83/48/185938348.db2.gz JXFYXTNBSNUJKA-LBPRGKRZSA-N 0 0 254.308 3.740 10 30 CHEERN CCN(c1ccccc1F)c1ccc(F)cc1C#N ZINC000104241292 185940752 /nfs/dbraw/zinc/94/07/52/185940752.db2.gz RSQMMJOOJPCEOT-UHFFFAOYSA-N 0 0 258.271 3.994 10 30 CHEERN CCC[C@@H]1CC[C@H](C#N)[C@H](SCCCOC)C1 ZINC000104432960 186000141 /nfs/dbraw/zinc/00/01/41/186000141.db2.gz WEESPUYLTKPYAD-MGPQQGTHSA-N 0 0 255.427 3.865 10 30 CHEERN C=CCc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000091251928 180114269 /nfs/dbraw/zinc/11/42/69/180114269.db2.gz ABRPLHXTKTYSJU-UHFFFAOYSA-N 0 0 258.136 3.990 10 30 CHEERN N#Cc1cc(F)c(NCCCCC(F)(F)F)c(F)c1 ZINC000128959954 260379647 /nfs/dbraw/zinc/37/96/47/260379647.db2.gz FGHKAKKYTFZLSW-UHFFFAOYSA-N 0 0 278.224 3.981 10 30 CHEERN Cc1cc(C)c(C#N)c(OCc2ccccc2Cl)n1 ZINC000003029811 169850529 /nfs/dbraw/zinc/85/05/29/169850529.db2.gz UFEHETZKAGDWGC-UHFFFAOYSA-N 0 0 272.735 3.803 10 30 CHEERN CN(C)c1ccccc1C(=O)/C=C/c1ccccc1 ZINC000004180623 169941829 /nfs/dbraw/zinc/94/18/29/169941829.db2.gz KVVXEJRHXNCUHV-OUKQBFOZSA-N 0 0 251.329 3.649 10 30 CHEERN CCC(C)N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000005614168 170119615 /nfs/dbraw/zinc/11/96/15/170119615.db2.gz DDFVWWUPEBQKPZ-DHDCSXOGSA-N 0 0 290.348 3.916 10 30 CHEERN Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1Cl ZINC000005897672 170151822 /nfs/dbraw/zinc/15/18/22/170151822.db2.gz LOSSBMNCLJUFRY-GHRIWEEISA-N 0 0 281.142 3.802 10 30 CHEERN Cc1nc(C#N)c(N=NCc2ccc(Cl)cc2Cl)o1 ZINC000006861416 170250738 /nfs/dbraw/zinc/25/07/38/170250738.db2.gz VYVUAFOCCYKTLR-OMCISZLKSA-N 0 0 295.129 3.608 10 30 CHEERN CCc1cccc(C)c1NC(=O)C1(C#N)CCCC1 ZINC000007334566 170277898 /nfs/dbraw/zinc/27/78/98/170277898.db2.gz DRMICAUQJDMLJS-UHFFFAOYSA-N 0 0 256.349 3.580 10 30 CHEERN CCOc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1 ZINC000007389888 170282563 /nfs/dbraw/zinc/28/25/63/170282563.db2.gz OIEVNPWHYVWISI-YVLHZVERSA-N 0 0 296.322 3.710 10 30 CHEERN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000008162842 170322010 /nfs/dbraw/zinc/32/20/10/170322010.db2.gz LNAYOWDFWJLXHG-AWEZNQCLSA-N 0 0 294.354 3.581 10 30 CHEERN N#CCSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009691961 170384565 /nfs/dbraw/zinc/38/45/65/170384565.db2.gz GXZUWIHSBNKAKY-UHFFFAOYSA-N 0 0 299.380 3.680 10 30 CHEERN N#CCOc1c(Cl)cc(Br)cc1Cl ZINC000011834464 170445877 /nfs/dbraw/zinc/44/58/77/170445877.db2.gz LDBPAXGLNGAHGY-UHFFFAOYSA-N 0 0 280.936 3.658 10 30 CHEERN N/C(=N\O)c1ccccc1Oc1cccc2ccccc21 ZINC000020076332 170984873 /nfs/dbraw/zinc/98/48/73/170984873.db2.gz JQLZTDNVLCWUPT-UHFFFAOYSA-N 0 0 278.311 3.727 10 30 CHEERN COc1ccc([C@@H](C#N)NC2CCCCCC2)c(OC)c1 ZINC000020176057 171042360 /nfs/dbraw/zinc/04/23/60/171042360.db2.gz ASEGIIFILQOEBU-MRXNPFEDSA-N 0 0 288.391 3.581 10 30 CHEERN N#Cc1ccc(Oc2nc3ccccc3cc2C=O)cc1 ZINC000020445428 171206422 /nfs/dbraw/zinc/20/64/22/171206422.db2.gz INHPUQCOYRHSDA-UHFFFAOYSA-N 0 0 274.279 3.711 10 30 CHEERN C/C(=N\O)c1ccccc1OCc1cccc(C)c1 ZINC000021793902 171324882 /nfs/dbraw/zinc/32/48/82/171324882.db2.gz NSMPNNBAUUFAOP-GHRIWEEISA-N 0 0 255.317 3.772 10 30 CHEERN N/C(=N\O)c1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000021798023 171325292 /nfs/dbraw/zinc/32/52/92/171325292.db2.gz QECYPCKCSVYTFS-UHFFFAOYSA-N 0 0 296.248 3.592 10 30 CHEERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C#N)cn1 ZINC000021818906 171333902 /nfs/dbraw/zinc/33/39/02/171333902.db2.gz MNYDWNRFAAXIDQ-YUELXQCFSA-N 0 0 258.365 3.793 10 30 CHEERN CC(C)(C#N)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000021987898 171345676 /nfs/dbraw/zinc/34/56/76/171345676.db2.gz ZEBVWTDZOCLABG-UHFFFAOYSA-N 0 0 259.092 3.703 10 30 CHEERN Cc1ccc(/C=N\NC(=S)Nc2ccc(C)cc2)s1 ZINC000033319326 171783161 /nfs/dbraw/zinc/78/31/61/171783161.db2.gz ZPVJCEMQZZTYLA-DHDCSXOGSA-N 0 0 289.429 3.685 10 30 CHEERN N#Cc1ccc(NC(=O)c2c[nH]c3ccccc32)cc1Cl ZINC000035134752 172001353 /nfs/dbraw/zinc/00/13/53/172001353.db2.gz SANALTUJEUBQFM-UHFFFAOYSA-N 0 0 295.729 3.945 10 30 CHEERN Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C#N ZINC000035152527 172015155 /nfs/dbraw/zinc/01/51/55/172015155.db2.gz NCDRCERBUWEIPL-UHFFFAOYSA-N 0 0 299.761 3.571 10 30 CHEERN CCCC1N=NC(=S)N1N=Cc1ccc(C(C)C)cc1 ZINC000035455836 172206940 /nfs/dbraw/zinc/20/69/40/172206940.db2.gz AGBLYIWMUTUESX-YBEGLDIGSA-N 0 0 288.420 3.525 10 30 CHEERN N#Cc1ccc(Oc2cccc(Br)c2)c(N)c1 ZINC000035674869 172345114 /nfs/dbraw/zinc/34/51/14/172345114.db2.gz QAWHGXMIKGWXHI-UHFFFAOYSA-N 0 0 289.132 3.695 10 30 CHEERN C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000035735022 172386385 /nfs/dbraw/zinc/38/63/85/172386385.db2.gz UDWCDHRFJFHLHL-TVQRCGJNSA-N 0 0 284.281 3.556 10 30 CHEERN C[C@@H](C#N)CNc1ccccc1Cc1ccccc1 ZINC000036677327 172651674 /nfs/dbraw/zinc/65/16/74/172651674.db2.gz FNEIDIXLGTXZRS-AWEZNQCLSA-N 0 0 250.345 3.849 10 30 CHEERN N#C[C@H](C(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000037343910 173143440 /nfs/dbraw/zinc/14/34/40/173143440.db2.gz GLSDQBLWLNGICB-NSHDSACASA-N 0 0 273.694 3.969 10 30 CHEERN N#C[C@H](C(=O)c1ccccc1Cl)c1cccc(F)c1 ZINC000037346878 173144100 /nfs/dbraw/zinc/14/41/00/173144100.db2.gz YZEOQKRJMQVCHB-ZDUSSCGKSA-N 0 0 273.694 3.969 10 30 CHEERN N#Cc1cccc([C@H](C#N)Nc2cccc(Cl)c2)c1 ZINC000037937238 173877378 /nfs/dbraw/zinc/87/73/78/173877378.db2.gz BRGHOOMVVNTRTC-HNNXBMFYSA-N 0 0 267.719 3.888 10 30 CHEERN COc1cccc(N[C@@H](C#N)c2cccc(C)c2)c1 ZINC000037937686 173877667 /nfs/dbraw/zinc/87/76/67/173877667.db2.gz CKJCKLSSNXPUEA-INIZCTEOSA-N 0 0 252.317 3.680 10 30 CHEERN 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C#CCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040210681 174203583 /nfs/dbraw/zinc/20/35/83/174203583.db2.gz GWQPWFASSNUDQD-UHFFFAOYSA-N 0 0 260.340 3.953 10 30 CHEERN CCCCCC(=O)NC1(C#N)CCCCCCC1 ZINC000040222159 174207477 /nfs/dbraw/zinc/20/74/77/174207477.db2.gz MBEWNDRSFVJRKE-UHFFFAOYSA-N 0 0 250.386 3.690 10 30 CHEERN Cc1ccc([C@@H](C)Nc2nc(C)ccc2C#N)cc1 ZINC000043395787 175035419 /nfs/dbraw/zinc/03/54/19/175035419.db2.gz XUEBNEBFYKWLOF-CYBMUJFWSA-N 0 0 251.333 3.743 10 30 CHEERN Cc1c(N)c(C#N)sc1-c1cccc(Br)c1 ZINC000044273657 175158732 /nfs/dbraw/zinc/15/87/32/175158732.db2.gz ACOHKEOIKPYQRH-UHFFFAOYSA-N 0 0 293.189 3.940 10 30 CHEERN N#Cc1sc(-c2cccc(C(F)(F)F)c2)cc1N ZINC000044273295 175158760 /nfs/dbraw/zinc/15/87/60/175158760.db2.gz IADSHIOLQGIBMX-UHFFFAOYSA-N 0 0 268.263 3.888 10 30 CHEERN N#Cc1sc(-c2cc(Cl)ccc2F)cc1N ZINC000044273299 175158866 /nfs/dbraw/zinc/15/88/66/175158866.db2.gz FLMRTVREKWPLTL-UHFFFAOYSA-N 0 0 252.701 3.661 10 30 CHEERN N#Cc1cnn2c1nc(Cl)c(-c1ccccc1)c2Cl 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CC(C)(C#N)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000335124297 527488535 /nfs/dbraw/zinc/48/85/35/527488535.db2.gz KRIPUEGIPWJRTB-UHFFFAOYSA-N 0 0 289.448 3.503 10 30 CHEERN CCC1CCC(NC(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000330204327 527823927 /nfs/dbraw/zinc/82/39/27/527823927.db2.gz CRANQZVSEXKGSB-YMAMQOFZSA-N 0 0 294.439 3.561 10 30 CHEERN CCOc1ccc(/C=N/N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000017750258 528374137 /nfs/dbraw/zinc/37/41/37/528374137.db2.gz WCZKXQHIFZVOSB-BIWWJVPWSA-N 0 0 290.407 3.691 10 30 CHEERN CC(C)n1ncc2ccc(NC(=O)N3C[C@H]4CCC[C@@H]43)cc21 ZINC000329926286 528665886 /nfs/dbraw/zinc/66/58/86/528665886.db2.gz KORWWVXBGJUQGV-HIFRSBDPSA-N 0 0 298.390 3.647 10 30 CHEERN O=C(/C=C/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1 ZINC000013378208 560215679 /nfs/dbraw/zinc/21/56/79/560215679.db2.gz PALMCMYYFAHUGA-BPTNNVFMSA-N 0 0 292.334 3.950 10 30 biogenic,in-vitro CHEERN CCCCCCCCN1c2ccccc2C(=O)C1=O ZINC000059089515 566857329 /nfs/dbraw/zinc/85/73/29/566857329.db2.gz SBUKHWYDJUSYNN-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/09/56/42/1119095642.db2.gz YVXPGKIRFHJNBD-UKTHLTGXSA-N 0 0 283.302 3.578 10 30 CHEERN CC[C@H](CC#N)OC(=O)/C=C(/C)c1cccc(Cl)c1 ZINC000588558048 1119258528 /nfs/dbraw/zinc/25/85/28/1119258528.db2.gz XRQPBHSQZJSNSW-RBJHHQRMSA-N 0 0 277.751 3.979 10 30 CHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329618755 1119457360 /nfs/dbraw/zinc/45/73/60/1119457360.db2.gz GFWLCWBQJVSOTP-NPJQDHAYSA-N 0 0 289.423 3.541 10 30 CHEERN C[C@H](NC(=O)N[C@@H]1CCCCC12CCCC2)[C@H]1CCCO1 ZINC000329634247 1119463546 /nfs/dbraw/zinc/46/35/46/1119463546.db2.gz SZNOPJAIEWSNBE-RRFJBIMHSA-N 0 0 294.439 3.561 10 30 CHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000329738402 1119492444 /nfs/dbraw/zinc/49/24/44/1119492444.db2.gz MUBIMQDOIAIGGY-GJZGRUSLSA-N 0 0 289.423 3.639 10 30 CHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1csc2ccccc12 ZINC000329734422 1119492571 /nfs/dbraw/zinc/49/25/71/1119492571.db2.gz KHUDTOAAKRBVCH-CMPLNLGQSA-N 0 0 285.372 3.919 10 30 CHEERN Cc1ccccc1C=NOCc1nc(C)c2ccccc2n1 ZINC000588600153 1119530714 /nfs/dbraw/zinc/53/07/14/1119530714.db2.gz MVJLQAZUHWOZBQ-UHFFFAOYSA-N 0 0 291.354 3.797 10 30 CHEERN Cc1cc(C#N)cc(N2CCC[C@@H]2C2CCCCC2)n1 ZINC000587359188 1119947973 /nfs/dbraw/zinc/94/79/73/1119947973.db2.gz PQXSSMBFWOIXPG-MRXNPFEDSA-N 0 0 269.392 3.811 10 30 CHEERN C[C@@H]1CCCC[C@H]1OCc1noc(-c2cccc(C#N)c2)n1 ZINC000329548490 1120570428 /nfs/dbraw/zinc/57/04/28/1120570428.db2.gz DZUSRSQETFRXHX-IUODEOHRSA-N 0 0 297.358 3.704 10 30 CHEERN C#CC[C@@H](OC(=O)C[C@@H](CC)C(C)C)c1ccccn1 ZINC000105550080 1123056117 /nfs/dbraw/zinc/05/61/17/1123056117.db2.gz RYEYXLNBYUGPKC-GDBMZVCRSA-N 0 0 273.376 3.762 10 30 CHEERN C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329839305 1123656129 /nfs/dbraw/zinc/65/61/29/1123656129.db2.gz NRKBOJZHXFIYMT-WWGRRREGSA-N 0 0 291.395 3.562 10 30 CHEERN C=CCC1(C(=O)N2CCC[C@@H](c3nccs3)C2)CCC1 ZINC000191166829 1125321498 /nfs/dbraw/zinc/32/14/98/1125321498.db2.gz YRAIDWMHUOCTBC-CYBMUJFWSA-N 0 0 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N#CC1(c2cccc(C(F)(F)F)c2)CCC(=O)CC1 ZINC000091366138 180143121 /nfs/dbraw/zinc/14/31/21/180143121.db2.gz HOGMWAHKHPERCK-UHFFFAOYSA-N 0 0 267.250 3.610 10 30 CHEERN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccccc1C#N ZINC000216000097 189698969 /nfs/dbraw/zinc/69/89/69/189698969.db2.gz KWYIKUYOTKJQCN-CQSZACIVSA-N 0 0 272.348 3.630 10 30 CHEERN N#Cc1nccc2c(Cl)cc(Br)cc12 ZINC000521402030 256845216 /nfs/dbraw/zinc/84/52/16/256845216.db2.gz SRRJUMLNYCWVRN-UHFFFAOYSA-N 0 0 267.513 3.522 10 30 CHEERN S[C@H]1CCOC[C@H]1Cc1cc(Cl)ccc1Cl ZINC000095078948 184936283 /nfs/dbraw/zinc/93/62/83/184936283.db2.gz JQQKNNVOLUTHEG-SKDRFNHKSA-N 0 0 277.216 3.871 10 30 CHEERN CCC1=C2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]2CCC1=O ZINC000004216573 169944652 /nfs/dbraw/zinc/94/46/52/169944652.db2.gz JDLUQDYTLSPFGS-FZCLSBEQSA-N 0 0 290.403 3.814 10 30 in-man CHEERN C=C[C@@](OCC)(c1ccccc1)C1(O)CCCCC1 ZINC000005335802 170086832 /nfs/dbraw/zinc/08/68/32/170086832.db2.gz JUULJGGXBQFGPL-QGZVFWFLSA-N 0 0 260.377 3.800 10 30 CHEERN O=C(Nc1ccccc1)O/N=C/c1c[nH]c2ccccc12 ZINC000005377726 170091230 /nfs/dbraw/zinc/09/12/30/170091230.db2.gz LKYVTHRKSHXYTC-WOJGMQOQSA-N 0 0 279.299 3.751 10 30 CHEERN COC(=O)c1ccc(/C=N\c2ccc(Cl)cc2)cc1 ZINC000005997520 170166349 /nfs/dbraw/zinc/16/63/49/170166349.db2.gz BYDHFMUKSVKDBK-YVLHZVERSA-N 0 0 273.719 3.877 10 30 CHEERN CCOc1ccc(C=NNc2ccccc2C)cc1 ZINC000007892178 170306316 /nfs/dbraw/zinc/30/63/16/170306316.db2.gz PLDMAEVBXFEBPZ-SFQUDFHCSA-N 0 0 254.333 3.840 10 30 CHEERN CCOc1ccc(C=NNc2ccc(C)cc2)cc1OC ZINC000007931016 170308667 /nfs/dbraw/zinc/30/86/67/170308667.db2.gz RSSXCLPPJUDMQS-LDADJPATSA-N 0 0 284.359 3.848 10 30 CHEERN COc1ccc(C=NNc2cccc(Cl)c2)cc1OC ZINC000007949329 170309171 /nfs/dbraw/zinc/30/91/71/170309171.db2.gz NXNLBNDXIOQCCW-LICLKQGHSA-N 0 0 290.750 3.803 10 30 CHEERN CCOc1ccccc1C(=O)/C=C/c1ccccc1 ZINC000013827263 170601446 /nfs/dbraw/zinc/60/14/46/170601446.db2.gz ZHSIXNBMESZAEC-OUKQBFOZSA-N 0 0 252.313 3.981 10 30 CHEERN N#CCCN(C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000019504072 170816357 /nfs/dbraw/zinc/81/63/57/170816357.db2.gz BGVVKTGEFMMMDO-ARFHVFGLSA-N 0 0 282.387 3.760 10 30 CHEERN Cc1ccc(SCc2ccc(/C(N)=N/O)cc2F)cc1 ZINC000019847747 170897205 /nfs/dbraw/zinc/89/72/05/170897205.db2.gz KDOSVDGMAKBQPL-UHFFFAOYSA-N 0 0 290.363 3.521 10 30 CHEERN CCSCc1ccc(-c2ccccc2/C(N)=N/O)cc1 ZINC000019870309 170901547 /nfs/dbraw/zinc/90/15/47/170901547.db2.gz DNUMPRFXBGAUQY-UHFFFAOYSA-N 0 0 286.400 3.701 10 30 CHEERN CC(=O)c1cc(F)ccc1Oc1ccc(C#N)cc1 ZINC000019871541 170901803 /nfs/dbraw/zinc/90/18/03/170901803.db2.gz OVEXUMJDOQLDOY-UHFFFAOYSA-N 0 0 255.248 3.692 10 30 CHEERN N#CCCN(c1ccccc1)c1ccc(C=O)cc1F ZINC000020079128 170985425 /nfs/dbraw/zinc/98/54/25/170985425.db2.gz HSFGKPPRXBIWIR-UHFFFAOYSA-N 0 0 268.291 3.690 10 30 CHEERN COc1ccc([C@H](C#N)NC2CCCCCC2)c(OC)c1 ZINC000020176055 171042295 /nfs/dbraw/zinc/04/22/95/171042295.db2.gz ASEGIIFILQOEBU-INIZCTEOSA-N 0 0 288.391 3.581 10 30 CHEERN CC(C)CN[C@H](C#N)c1ccccc1C(F)(F)F ZINC000020176319 171042301 /nfs/dbraw/zinc/04/23/01/171042301.db2.gz GCPDCIJVFWKMJO-GFCCVEGCSA-N 0 0 256.271 3.516 10 30 CHEERN CC(C)Oc1ccc([C@@H](C#N)NC2CCCCC2)cc1 ZINC000020176535 171042389 /nfs/dbraw/zinc/04/23/89/171042389.db2.gz BOVQWEDFUXXNGD-QGZVFWFLSA-N 0 0 272.392 3.961 10 30 CHEERN CCCCN[C@@H](C#N)c1ccccc1C(F)(F)F ZINC000020176313 171042424 /nfs/dbraw/zinc/04/24/24/171042424.db2.gz OLNUUUSXYMSYFI-LBPRGKRZSA-N 0 0 256.271 3.660 10 30 CHEERN N#Cc1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000020246547 171100309 /nfs/dbraw/zinc/10/03/09/171100309.db2.gz ASYQQDXJVAFQOF-UHFFFAOYSA-N 0 0 260.296 3.685 10 30 CHEERN CCCN[C@H](C#N)c1ccc(SC(F)(F)F)cc1 ZINC000020380219 171172442 /nfs/dbraw/zinc/17/24/42/171172442.db2.gz NLRCWXRGRYLDKP-LLVKDONJSA-N 0 0 274.311 3.863 10 30 CHEERN C[C@@H](Nc1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526075 171239036 /nfs/dbraw/zinc/23/90/36/171239036.db2.gz DGRSLNSUJPZFEG-LLVKDONJSA-N 0 0 267.288 3.640 10 30 CHEERN Cc1cc(Cl)cc(C)c1Oc1ccc(/C(N)=N/O)cc1 ZINC000020554431 171249581 /nfs/dbraw/zinc/24/95/81/171249581.db2.gz FQHBVLZGUXHVJD-UHFFFAOYSA-N 0 0 290.750 3.844 10 30 CHEERN C/C(=N\O)c1cccc(OCCCc2ccccc2)c1 ZINC000021810347 171328926 /nfs/dbraw/zinc/32/89/26/171328926.db2.gz FKVYFDPBHQYCBC-NBVRZTHBSA-N 0 0 269.344 3.896 10 30 CHEERN C=C1C(=O)c2ccccc2O[C@@H]1c1ccc(OC)cc1 ZINC000026014485 171470769 /nfs/dbraw/zinc/47/07/69/171470769.db2.gz FXVUVPGHCZUFFZ-KRWDZBQOSA-N 0 0 266.296 3.568 10 30 CHEERN COc1ccc(-c2cc(C#N)c(Cl)nc2C)cc1OC ZINC000034154996 171833163 /nfs/dbraw/zinc/83/31/63/171833163.db2.gz NRTMBKYNYROBPA-UHFFFAOYSA-N 0 0 288.734 3.599 10 30 CHEERN C=CCN1C(=O)/C(=C/C(C)=C\c2ccco2)SC1=S ZINC000035004207 171926428 /nfs/dbraw/zinc/92/64/28/171926428.db2.gz ZAHPGZNQNDGXFE-GGXBSVTOSA-N 0 0 291.397 3.613 10 30 CHEERN C[C@H](O)c1ccc(Oc2ccc(C#N)cc2)c(F)c1 ZINC000035632310 172314841 /nfs/dbraw/zinc/31/48/41/172314841.db2.gz HEGWRFZSDLAFKU-JTQLQIEISA-N 0 0 257.264 3.543 10 30 CHEERN 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