smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(N=Nc1nncc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000254753494 1018807566 /nfs/dbraw/zinc/80/75/66/1018807566.db2.gz KTIFVAXAKJXHBR-UHFFFAOYSA-N 0 0 328.379 3.652 50 30 EHEARN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000254762700 1018809575 /nfs/dbraw/zinc/80/95/75/1018809575.db2.gz KDGKEEWNWLYAOK-UHFFFAOYSA-N 0 0 327.340 3.592 50 30 EHEARN CC(=NO)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000257355423 1019066925 /nfs/dbraw/zinc/06/69/25/1019066925.db2.gz APPUXDKAIYXQHD-LRUBYMQBSA-N 0 0 347.499 3.891 50 30 EHEARN COc1cccc2cc(/C=C\C(=O)c3ccc4[nH]c(=O)[nH]c4c3)oc21 ZINC000050647639 1020344716 /nfs/dbraw/zinc/34/47/16/1020344716.db2.gz QMOAVINPLCPBOZ-VURMDHGXSA-N 0 0 334.331 3.507 50 30 EHEARN N#CCc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000344366329 1031481933 /nfs/dbraw/zinc/48/19/33/1031481933.db2.gz VRQWJZWHVJPFRU-UHFFFAOYSA-N 0 0 333.391 3.812 50 30 EHEARN COc1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000588590186 1031996693 /nfs/dbraw/zinc/99/66/93/1031996693.db2.gz GJNNGJKBTMZZEQ-WMZJFQQLSA-N 0 0 325.389 3.505 50 30 EHEARN O=C(/C=C\c1c(Cl)nc2ccccn12)c1cccc([N+](=O)[O-])c1 ZINC000096766518 1036646158 /nfs/dbraw/zinc/64/61/58/1036646158.db2.gz XBSNGTRTRQMPKI-FPLPWBNLSA-N 0 0 327.727 3.792 50 30 EHEARN C[C@@H]1c2cccn2CCN1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000057650888 1037024015 /nfs/dbraw/zinc/02/40/15/1037024015.db2.gz FIZQCHDEEVLNMY-ZFMLPXDISA-N 0 0 349.478 3.745 50 30 EHEARN Oc1ccccc1C=NNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000254615864 1040949019 /nfs/dbraw/zinc/94/90/19/1040949019.db2.gz MZCGSFBDECBFMM-UHFFFAOYSA-N 0 0 339.342 3.732 50 30 EHEARN O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(OC(F)F)cc1 ZINC000005129311 1042851213 /nfs/dbraw/zinc/85/12/13/1042851213.db2.gz TVUJYMRJKWIABE-LREOWRDNSA-N 0 0 332.302 3.955 50 30 EHEARN Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nn(C)cc3C#N)c2c1 ZINC000177132761 1127849104 /nfs/dbraw/zinc/84/91/04/1127849104.db2.gz CLEKCIQBWVCRLI-UHFFFAOYSA-N 0 0 345.406 3.587 50 30 EHEARN N#CC1CCC(CNC(=O)NCc2cccc(-c3ccccn3)c2)CC1 ZINC000252496725 1121421361 /nfs/dbraw/zinc/42/13/61/1121421361.db2.gz PQAKAUZKWPBFIA-UHFFFAOYSA-N 0 0 348.450 3.878 50 30 EHEARN C#CCCCC(=O)Nc1c(Br)nc(OC)cc1C(F)F ZINC000585086527 1136981917 /nfs/dbraw/zinc/98/19/17/1136981917.db2.gz BABLHFHGMGCLLO-UHFFFAOYSA-N 0 0 347.159 3.532 50 30 EHEARN C#CCCC1(CCC(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)N=N1 ZINC000952880346 1137483271 /nfs/dbraw/zinc/48/32/71/1137483271.db2.gz FRZDTEIIFBGDLG-GOSISDBHSA-N 0 0 327.403 3.671 50 30 EHEARN C#CCCC1(CCC(=O)NCc2cccc(-c3ccncc3)c2)N=N1 ZINC000952881312 1137483474 /nfs/dbraw/zinc/48/34/74/1137483474.db2.gz MFYUGJZHKZOJEB-UHFFFAOYSA-N 0 0 332.407 3.721 50 30 EHEARN O=C(C(=NN=Cc1ccc([N+](=O)[O-])o1)c1ccccc1)c1ccccc1 ZINC000885853664 1138022417 /nfs/dbraw/zinc/02/24/17/1138022417.db2.gz BBOQCXKSBYPWKN-UHFFFAOYSA-N 0 0 347.330 3.894 50 30 EHEARN C=C(C)COc1ccccc1C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000055198554 214286264 /nfs/dbraw/zinc/28/62/64/214286264.db2.gz PNJZIHOBUYWUID-FQEVSTJZSA-N 0 0 337.419 3.685 50 30 EHEARN C=C(C)COc1cccc(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c1 ZINC000055211948 214289922 /nfs/dbraw/zinc/28/99/22/214289922.db2.gz HVLMUERQOLDEDI-HNNXBMFYSA-N 0 0 327.428 3.815 50 30 EHEARN N#Cc1ccc(OCCOC(=O)c2cccc(Br)c2)cc1 ZINC000010629582 201801403 /nfs/dbraw/zinc/80/14/03/201801403.db2.gz MENGEKNJMAUYPL-UHFFFAOYSA-N 0 0 346.180 3.557 50 30 EHEARN COc1ccccc1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000012808647 201869166 /nfs/dbraw/zinc/86/91/66/201869166.db2.gz YDNDNWGJPLLSJK-GFCCVEGCSA-N 0 0 340.448 3.934 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000012860262 201871948 /nfs/dbraw/zinc/87/19/48/201871948.db2.gz VBDAFYUMCNLBPC-GFCCVEGCSA-N 0 0 337.354 3.881 50 30 EHEARN Brc1ccc(CN=Nc2ncnc3ccccc32)cc1 ZINC000012961264 201876941 /nfs/dbraw/zinc/87/69/41/201876941.db2.gz RWQHDFJGYKJBEM-DJKKODMXSA-N 0 0 327.185 3.838 50 30 EHEARN C=CCSc1nc2ccccc2c(=O)n1[C@@H]1CCOC(C)(C)C1 ZINC000002314828 209839678 /nfs/dbraw/zinc/83/96/78/209839678.db2.gz WHMNKUHKXLYOGG-CYBMUJFWSA-N 0 0 330.453 3.805 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccccc1)C(=N)Nc1ccccc1S2 ZINC000020094966 202031304 /nfs/dbraw/zinc/03/13/04/202031304.db2.gz IINCTGPIZYMYSS-UHFFFAOYSA-N 0 0 343.415 3.704 50 30 EHEARN N#CCN1CCC(c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)CC1 ZINC000020390528 202040438 /nfs/dbraw/zinc/04/04/38/202040438.db2.gz ATBKNGYRCOWNQL-UHFFFAOYSA-N 0 0 334.345 3.798 50 30 EHEARN CC(=O)Nc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1 ZINC000023175023 202099410 /nfs/dbraw/zinc/09/94/10/202099410.db2.gz RZTYZTYPAFPODY-GXDHUFHOSA-N 0 0 325.339 3.833 50 30 EHEARN CCOC(=O)c1ccoc1CSc1nc2c(c(C)c1C#N)CCC2 ZINC000024851540 202122453 /nfs/dbraw/zinc/12/24/53/202122453.db2.gz HOHXSTHFLJBXKL-UHFFFAOYSA-N 0 0 342.420 3.812 50 30 EHEARN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000031808539 202210108 /nfs/dbraw/zinc/21/01/08/202210108.db2.gz RDTGMLUVVRKLGS-HNNXBMFYSA-N 0 0 338.432 3.618 50 30 EHEARN C=CCNC(=O)c1cc2sc(C)cc2n1Cc1cccc(OC)c1 ZINC000037526799 213154432 /nfs/dbraw/zinc/15/44/32/213154432.db2.gz ZIQLEROUWNMJHF-UHFFFAOYSA-N 0 0 340.448 3.984 50 30 EHEARN C(=[NH+][N-]c1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 ZINC000031939396 202214097 /nfs/dbraw/zinc/21/40/97/202214097.db2.gz NDORMYKXEFUHCO-UYRXBGFRSA-N 0 0 338.436 3.579 50 30 EHEARN N#Cc1cccc(NC(=O)c2ccccc2OCc2ccncc2)c1 ZINC000032063201 202219978 /nfs/dbraw/zinc/21/99/78/202219978.db2.gz BLBIXKIPNSLTPS-UHFFFAOYSA-N 0 0 329.359 3.785 50 30 EHEARN Cc1ccc(S(=O)(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1 ZINC000032313315 202223858 /nfs/dbraw/zinc/22/38/58/202223858.db2.gz ZMGPGWNJNGJJJD-MFOYZWKCSA-N 0 0 343.235 3.614 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)ccc1F ZINC000032796580 212844571 /nfs/dbraw/zinc/84/45/71/212844571.db2.gz UGRMJBWZADHSRY-UHFFFAOYSA-N 0 0 347.187 3.732 50 30 EHEARN CC1(C)Cc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c2C(=NN)C1 ZINC000035623066 202307396 /nfs/dbraw/zinc/30/73/96/202307396.db2.gz VNZYWWVPUUOYTM-JJFYIABZSA-N 0 0 337.349 3.807 50 30 EHEARN CCOC(=O)C(C#N)(CC(=O)c1ccccc1)CC(=O)c1ccccc1 ZINC000037638215 202348861 /nfs/dbraw/zinc/34/88/61/202348861.db2.gz OLYLPJKCRJDFJV-UHFFFAOYSA-N 0 0 349.386 3.605 50 30 EHEARN CC[NH+](CC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C\c1cccnc1)O2 ZINC000037857486 202372397 /nfs/dbraw/zinc/37/23/97/202372397.db2.gz RMYXGKKVHZITRM-LICLKQGHSA-N 0 0 338.407 3.554 50 30 EHEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cccc(F)c1 ZINC000075286047 202381546 /nfs/dbraw/zinc/38/15/46/202381546.db2.gz VONUNEDQMIXIDT-UHFFFAOYSA-N 0 0 327.322 3.619 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1Cl ZINC000075489413 202381695 /nfs/dbraw/zinc/38/16/95/202381695.db2.gz NUNJBYVODGSNQG-UHFFFAOYSA-N 0 0 340.745 3.789 50 30 EHEARN C#Cc1cccc(N(C(=O)c2ccn(-c3ccccc3)n2)C(C)C)c1 ZINC000077293456 202390998 /nfs/dbraw/zinc/39/09/98/202390998.db2.gz DHIGDKFXYNZGIN-UHFFFAOYSA-N 0 0 329.403 3.909 50 30 EHEARN COc1ccc(Br)cc1/C=C1\Oc2cc(O)ccc2C1=O ZINC000012769799 201364686 /nfs/dbraw/zinc/36/46/86/201364686.db2.gz FGFOIJNDRUZKAM-CHHVJCJISA-N 0 0 347.164 3.780 50 30 biogenic EHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000020624628 201370133 /nfs/dbraw/zinc/37/01/33/201370133.db2.gz UUKKSUVDLMBBQQ-WQRHYEAKSA-N 0 0 341.382 3.989 50 30 EHEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O ZINC000000540396 201358454 /nfs/dbraw/zinc/35/84/54/201358454.db2.gz MNXAUGQMVDWMMZ-GPILYODUSA-N 0 0 344.388 3.613 50 30 EHEARN O=c1[nH]c(=S)[nH]c(N=Cc2ccccc2)c1N=Cc1ccccc1 ZINC000210801620 241076484 /nfs/dbraw/zinc/07/64/84/241076484.db2.gz NEEVCWPRIZJJRJ-AYKLPDECSA-N 0 0 334.404 3.934 50 30 EHEARN N#Cc1ccccc1-c1ccc(CN2CCO[C@H](c3cccnc3)C2)o1 ZINC000216360655 241187095 /nfs/dbraw/zinc/18/70/95/241187095.db2.gz LVUXUWIUPWKIEW-NRFANRHFSA-N 0 0 345.402 3.787 50 30 EHEARN CC(C)(c1ccc(OC[C@@H]2CO2)cc1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000001680659 201515990 /nfs/dbraw/zinc/51/59/90/201515990.db2.gz LCFVJGUPQDGYKZ-WOJBJXKFSA-N 0 0 340.419 3.568 50 30 biogenic,in-man EHEARN N#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000002250753 201527067 /nfs/dbraw/zinc/52/70/67/201527067.db2.gz KLQTUFRTNXYOJF-UHFFFAOYSA-N 0 0 339.445 3.552 50 30 EHEARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C#N)cc1 ZINC000003262207 201563284 /nfs/dbraw/zinc/56/32/84/201563284.db2.gz IQUXOOGUXXEBOJ-UHFFFAOYSA-N 0 0 336.391 3.786 50 30 EHEARN O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004520712 201604834 /nfs/dbraw/zinc/60/48/34/201604834.db2.gz AYGIHHJXYKHFDQ-TZMCWYRMSA-N 0 0 341.407 3.892 50 30 EHEARN Cc1cc(-c2ccccc2)nc(N=NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000004595752 201607367 /nfs/dbraw/zinc/60/73/67/201607367.db2.gz YZEUWNDTGFSRCI-XDHOZWIPSA-N 0 0 333.351 3.806 50 30 EHEARN O=[N+]([O-])c1cccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000004996828 201632937 /nfs/dbraw/zinc/63/29/37/201632937.db2.gz AGNLEICIFLDLPP-PTXOJBNSSA-N 0 0 331.200 3.736 50 30 EHEARN C#CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1OCC ZINC000005130628 201640385 /nfs/dbraw/zinc/64/03/85/201640385.db2.gz UAFHHDJTNUMJOY-FOWTUZBSSA-N 0 0 334.371 3.756 50 30 EHEARN Cc1ccc(/C=C/C(=O)c2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000063428668 202806035 /nfs/dbraw/zinc/80/60/35/202806035.db2.gz VJPHVOUJDXTSQU-MDZDMXLPSA-N 0 0 333.347 3.985 50 30 EHEARN CC[C@H](C)N(Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000069969955 203066528 /nfs/dbraw/zinc/06/65/28/203066528.db2.gz HYRWUBYQZCPBPV-HNNXBMFYSA-N 0 0 346.434 3.595 50 30 EHEARN CCN(Cc1cn2ccccc2c1C#N)Cc1cccc2c1OCO2 ZINC000070039832 203071332 /nfs/dbraw/zinc/07/13/32/203071332.db2.gz UJEYBFIZWLAWOB-UHFFFAOYSA-N 0 0 333.391 3.562 50 30 EHEARN C=CCN(CC(F)(F)F)C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000069515300 203113059 /nfs/dbraw/zinc/11/30/59/203113059.db2.gz NRUVODQQXQOITQ-UHFFFAOYSA-N 0 0 330.325 3.616 50 30 EHEARN N#Cc1c(N)nc(-c2c[nH]c3ccccc32)cc1-c1ccc(O)c(O)c1 ZINC000071738435 203104961 /nfs/dbraw/zinc/10/49/61/203104961.db2.gz ZUBAORMTZCPEMO-UHFFFAOYSA-N 0 0 342.358 3.762 50 30 EHEARN Cc1c(-c2ccccn2)nc(N)c(C#N)c1-c1ccc(-c2cc[nH]n2)o1 ZINC000071754800 203108467 /nfs/dbraw/zinc/10/84/67/203108467.db2.gz IKUVTOBWJFUKNZ-UHFFFAOYSA-N 0 0 342.362 3.556 50 30 EHEARN C[S@](=O)Cc1ccc(Cl)c(NCc2ccc(C#N)cc2F)c1 ZINC000072287157 203192720 /nfs/dbraw/zinc/19/27/20/203192720.db2.gz UUQQQRAPPPBWKV-JOCHJYFZSA-N 0 0 336.819 3.841 50 30 EHEARN COc1ccc(CNc2cc(Cl)ccc2C#N)cc1NC(C)=O ZINC000072290349 203194093 /nfs/dbraw/zinc/19/40/93/203194093.db2.gz ZGYNPQNGIJXXIM-UHFFFAOYSA-N 0 0 329.787 3.791 50 30 EHEARN CC1(C)CCC[C@](C)(C#CCN2CCN(c3ccccc3)CC2)O1 ZINC000019933922 212086443 /nfs/dbraw/zinc/08/64/43/212086443.db2.gz ZWDVOMFYCOKSRA-OAQYLSRUSA-N 0 0 326.484 3.550 50 30 EHEARN C=CCn1c2ccccc2nc1-c1nccn1[C@@H]1CCc2n[nH]cc2C1 ZINC000077437717 216904009 /nfs/dbraw/zinc/90/40/09/216904009.db2.gz YRNHMPYSDSSGPH-OAHLLOKOSA-N 0 0 344.422 3.539 50 30 EHEARN CCc1cc(C#N)ccc1NC(=O)N1CCCC[C@H]1CCCOC ZINC000095531535 203760591 /nfs/dbraw/zinc/76/05/91/203760591.db2.gz FVPQNQNYTHDNLO-KRWDZBQOSA-N 0 0 329.444 3.934 50 30 EHEARN N#C[C@@]1(NC(=O)/C=C\c2c(Cl)cccc2Cl)CCSC1 ZINC000098055702 203981709 /nfs/dbraw/zinc/98/17/09/203981709.db2.gz AORVLEXWTMMYHQ-WSNITJDQSA-N 0 0 327.236 3.522 50 30 EHEARN COCCOc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000044027711 204292267 /nfs/dbraw/zinc/29/22/67/204292267.db2.gz WSYDMMMIYHXWLW-BJMVGYQFSA-N 0 0 327.336 3.516 50 30 EHEARN C=CCOC(=O)c1sc2[nH]c(-c3ccc(C)cc3)nc(=O)c2c1C ZINC000012941666 211489779 /nfs/dbraw/zinc/48/97/79/211489779.db2.gz SIDLIAVHOWUXRD-UHFFFAOYSA-N 0 0 340.404 3.611 50 30 EHEARN C=CCOc1cccc(NC(=O)c2ccc(OCCOCC)cc2)c1 ZINC000009819465 211124307 /nfs/dbraw/zinc/12/43/07/211124307.db2.gz ZCVLWJPYRDHNLT-UHFFFAOYSA-N 0 0 341.407 3.919 50 30 EHEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 ZINC000006493774 210640383 /nfs/dbraw/zinc/64/03/83/210640383.db2.gz KEABNNQRZVONRE-INIZCTEOSA-N 0 0 341.794 3.857 50 30 EHEARN O=C(NCCc1ccsc1)[C@@H]1CSC(c2ccccc2O)=N1 ZINC000328597651 258042370 /nfs/dbraw/zinc/04/23/70/258042370.db2.gz IMBFRPZCPUHPMV-ZDUSSCGKSA-N 0 0 332.450 3.515 50 30 EHEARN C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000006701057 258044199 /nfs/dbraw/zinc/04/41/99/258044199.db2.gz ZSOSWVVSSYBUKL-UHFFFAOYSA-N 0 0 344.484 3.702 50 30 EHEARN Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000330033049 258001848 /nfs/dbraw/zinc/00/18/48/258001848.db2.gz VVAHCMHQAMJRCW-MRXNPFEDSA-N 0 0 348.786 3.903 50 30 EHEARN C=CCn1ccc2c(OCC(=O)Nc3cccc(C)c3)cccc2c1=O ZINC000004584208 258046927 /nfs/dbraw/zinc/04/69/27/258046927.db2.gz ZJQGHFWGZNWWPS-UHFFFAOYSA-N 0 0 348.402 3.513 50 30 EHEARN C=CCn1c(SCC(=O)c2cccs2)nc2ccccc2c1=O ZINC000002814922 258047071 /nfs/dbraw/zinc/04/70/71/258047071.db2.gz DTAAGJOWRZDEOC-UHFFFAOYSA-N 0 0 342.445 3.619 50 30 EHEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nnc1C1CC1 ZINC000009390057 258018268 /nfs/dbraw/zinc/01/82/68/258018268.db2.gz AQVXRKXGWIKURU-NSHDSACASA-N 0 0 346.431 3.600 50 30 EHEARN N#CCC[C@H](C#N)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000008941737 258053784 /nfs/dbraw/zinc/05/37/84/258053784.db2.gz HVCYBGOAACSJPB-LLVKDONJSA-N 0 0 329.454 3.877 50 30 EHEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(O)c1 ZINC000019923563 258057419 /nfs/dbraw/zinc/05/74/19/258057419.db2.gz FSQCSTGUATZLGJ-KSSFIOAISA-N 0 0 345.439 3.893 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(CC#N)cc1 ZINC000032738772 258058335 /nfs/dbraw/zinc/05/83/35/258058335.db2.gz MCZGZVLRNCZKCK-UHFFFAOYSA-N 0 0 344.798 3.741 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NCC(=O)NC(C1CC1)C1CC1 ZINC000069698588 258063679 /nfs/dbraw/zinc/06/36/79/258063679.db2.gz MQPVRGNCURMOFU-ZDUSSCGKSA-N 0 0 343.496 3.655 50 30 EHEARN CN(CCC#N)C(=O)Nc1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000095409751 258067029 /nfs/dbraw/zinc/06/70/29/258067029.db2.gz OCNLKJCYWHZWSB-UHFFFAOYSA-N 0 0 338.342 3.867 50 30 EHEARN O=[N+]([O-])c1ccc(C=NN=Cc2ccc(Br)cc2)cc1 ZINC000254317453 258073409 /nfs/dbraw/zinc/07/34/09/258073409.db2.gz LTOMVKJMKKOUCL-UHFFFAOYSA-N 0 0 332.157 3.810 50 30 EHEARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000257346606 258073653 /nfs/dbraw/zinc/07/36/53/258073653.db2.gz VVSMJVQHDZUPIL-YBCGAOIWSA-N 0 0 344.451 3.629 50 30 EHEARN N#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1N1CCOCC1 ZINC000001393451 135654923 /nfs/dbraw/zinc/65/49/23/135654923.db2.gz ZYGRWMPTDDLBCJ-UHFFFAOYSA-N 0 0 342.402 3.519 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000012527090 135695449 /nfs/dbraw/zinc/69/54/49/135695449.db2.gz OQFKCXKNIZORMH-MRXNPFEDSA-N 0 0 349.434 3.955 50 30 EHEARN C=CCN(Cc1nc2ccccc2[nH]1)Cc1nc(-c2ccccc2)no1 ZINC000055357659 518801443 /nfs/dbraw/zinc/80/14/43/518801443.db2.gz YDQIHDYMLVNTPS-UHFFFAOYSA-N 0 0 345.406 3.801 50 30 EHEARN C=CCn1c([C@H](CCCC)C[C@@H](O)COCC(C)C)n[nH]c1=S ZINC000005737235 519259335 /nfs/dbraw/zinc/25/93/35/519259335.db2.gz YMMCAWZUKOBVRL-HUUCEWRRSA-N 0 0 341.521 3.824 50 30 EHEARN C=CCn1c(Sc2ccc(C#N)cn2)nnc1-c1ccccc1OC ZINC000012522754 519259673 /nfs/dbraw/zinc/25/96/73/519259673.db2.gz YUPBJMRBISTUDZ-UHFFFAOYSA-N 0 0 349.419 3.558 50 30 EHEARN CSC(=NS(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1 ZINC000006131633 525286365 /nfs/dbraw/zinc/28/63/65/525286365.db2.gz YWYZTLCGWIPEJN-UHFFFAOYSA-N 0 0 346.886 3.921 50 30 EHEARN COc1cccc(CN=Nc2nc(-c3ccccc3)nc(C)c2C)c1O ZINC000004595688 525772496 /nfs/dbraw/zinc/77/24/96/525772496.db2.gz YDOKVMGNCYKMQK-CIAFOILYSA-N 0 0 348.406 3.921 50 30 EHEARN C[C@@H](C#N)CN(C)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000089895811 526235145 /nfs/dbraw/zinc/23/51/45/526235145.db2.gz QRSMEKPICGVGIR-HNNXBMFYSA-N 0 0 349.434 3.590 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)CCn1ccc2ccccc21 ZINC000069485482 526445444 /nfs/dbraw/zinc/44/54/44/526445444.db2.gz VDPFQRWILYFNNZ-UHFFFAOYSA-N 0 0 348.406 3.748 50 30 EHEARN N#CCC[C@H](C#N)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000024099589 526465066 /nfs/dbraw/zinc/46/50/66/526465066.db2.gz CADYPKRVODBKEF-SNVBAGLBSA-N 0 0 333.417 3.956 50 30 EHEARN N#CCOC(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000033527813 526473248 /nfs/dbraw/zinc/47/32/48/526473248.db2.gz OPUMQTUKTWOGEZ-HJWRWDBZSA-N 0 0 349.415 3.740 50 30 EHEARN N#Cc1ccc(COC(=O)CCC(=O)c2ccc(Cl)s2)cc1 ZINC000004460867 563725719 /nfs/dbraw/zinc/72/57/19/563725719.db2.gz AZJXGLCBOXDHFS-UHFFFAOYSA-N 0 0 333.796 3.979 50 30 EHEARN N#CCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000000137430 563241151 /nfs/dbraw/zinc/24/11/51/563241151.db2.gz HQRMIKWLYXUKMK-UHFFFAOYSA-N 0 0 325.315 3.605 50 30 EHEARN CCN(CC)c1ccc(/C=N/c2ccc(NC(C)=O)cc2)c(O)c1 ZINC000000173968 563252228 /nfs/dbraw/zinc/25/22/28/563252228.db2.gz QLIWTSFCKVLBKO-DEDYPNTBSA-N 0 0 325.412 3.947 50 30 EHEARN CCNC(=S)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000002542556 563440283 /nfs/dbraw/zinc/44/02/83/563440283.db2.gz ZRDSEOPFOAGBGA-RGVLZGJSSA-N 0 0 347.871 3.737 50 30 EHEARN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)[C@@H](C#N)c1ccccn1 ZINC000071892401 563471024 /nfs/dbraw/zinc/47/10/24/563471024.db2.gz YPNDFZDFDGJNNM-ZFWWWQNUSA-N 0 0 333.395 3.596 50 30 EHEARN C/C(=N\N=C(/C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004299665 563499408 /nfs/dbraw/zinc/49/94/08/563499408.db2.gz DMMYLVOVZLJONB-JYFOCSDGSA-N 0 0 326.312 3.736 50 30 EHEARN COc1cc(C=NNc2nc3ccccc3s2)cc(OC)c1OC ZINC000004335156 563500449 /nfs/dbraw/zinc/50/04/49/563500449.db2.gz KDWWNDGRDYNHLQ-VCHYOVAHSA-N 0 0 343.408 3.768 50 30 EHEARN CSc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)CCCC1=N2 ZINC000004436112 563502878 /nfs/dbraw/zinc/50/28/78/563502878.db2.gz IGYPKIVCVZTVFB-CQSZACIVSA-N 0 0 346.843 3.675 50 30 EHEARN O=C(/C=C/c1ccc(F)cc1)c1cc(Br)ccc(=O)c1O ZINC000004667443 563507244 /nfs/dbraw/zinc/50/72/44/563507244.db2.gz QJSPXRCYYDHPBH-XVNBXDOJSA-N 0 0 349.155 3.550 50 30 EHEARN COc1cc(OC)c(C=NNc2ccccc2)cc1Br ZINC000005512058 563536089 /nfs/dbraw/zinc/53/60/89/563536089.db2.gz NQMXJQNUGXQUKM-LICLKQGHSA-N 0 0 335.201 3.912 50 30 EHEARN Cc1cc(C)nc(NC(=N)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000013154436 563691619 /nfs/dbraw/zinc/69/16/19/563691619.db2.gz UZZHGEWFVOTYDT-UHFFFAOYSA-N 0 0 347.422 3.731 50 30 EHEARN CCOc1ccc2c(C)nc(/N=C3\N=C(C)CC(C)(C)N3)nc2c1 ZINC000059920708 563735167 /nfs/dbraw/zinc/73/51/67/563735167.db2.gz SZAHGHHHEULPED-UHFFFAOYSA-N 0 0 325.416 3.557 50 30 EHEARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(C#N)cc1 ZINC000010962351 563877303 /nfs/dbraw/zinc/87/73/03/563877303.db2.gz JHSWCRJFAXSKAO-UHFFFAOYSA-N 0 0 333.435 3.821 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 ZINC000011003215 563890457 /nfs/dbraw/zinc/89/04/57/563890457.db2.gz RFWATNJWCJNOEB-UHFFFAOYSA-N 0 0 328.755 3.625 50 30 EHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000043509130 563891908 /nfs/dbraw/zinc/89/19/08/563891908.db2.gz GXPNNZBTMXVHKL-MJGOQNOKSA-N 0 0 342.487 3.527 50 30 EHEARN N#Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 ZINC000011036195 563904098 /nfs/dbraw/zinc/90/40/98/563904098.db2.gz JQCCRIQHRLPYTE-OAHLLOKOSA-N 0 0 331.297 3.687 50 30 EHEARN CN(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000003076831 563912025 /nfs/dbraw/zinc/91/20/25/563912025.db2.gz PDRMLBYFTGLMEW-UHFFFAOYSA-N 0 0 325.437 3.817 50 30 EHEARN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)C=Cc3cccc(Cl)c3)nc21 ZINC000072296113 563912165 /nfs/dbraw/zinc/91/21/65/563912165.db2.gz ZRRSRVGOFULGQS-GJBLVYBDSA-N 0 0 336.782 3.809 50 30 EHEARN Cc1ccc(-c2nnc3ccc(Oc4ccc(C#N)cc4)nn32)cc1 ZINC000013629947 563930840 /nfs/dbraw/zinc/93/08/40/563930840.db2.gz KQIUKGVWPQIUIK-UHFFFAOYSA-N 0 0 327.347 3.764 50 30 EHEARN CC[C@]1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=S)c2CO1 ZINC000013658151 563931491 /nfs/dbraw/zinc/93/14/91/563931491.db2.gz REPNPCAXGUGRDF-GOSISDBHSA-N 0 0 325.437 3.902 50 30 EHEARN CC[C@H](C#N)NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c21 ZINC000060342136 563931900 /nfs/dbraw/zinc/93/19/00/563931900.db2.gz ISTASUZABRSBPV-LLVKDONJSA-N 0 0 340.408 3.600 50 30 EHEARN CC(=O)Nc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@](C)(c1ccc(C#N)cc1)N2 ZINC000004623754 563935350 /nfs/dbraw/zinc/93/53/50/563935350.db2.gz BMIGNNXHCXWAGS-HLAWJBBLSA-N 0 0 347.418 3.935 50 30 EHEARN CCc1ccccc1NC(=O)[C@H](C#N)Cc1cc(OC)ccc1OC ZINC000057524876 563935734 /nfs/dbraw/zinc/93/57/34/563935734.db2.gz OMCIIZCHLJAFAL-INIZCTEOSA-N 0 0 338.407 3.587 50 30 EHEARN COc1cccc(C=CC(=O)[C@@H](C#N)c2nc3ccccc3o2)c1OC ZINC000058175218 563939084 /nfs/dbraw/zinc/93/90/84/563939084.db2.gz PTKWMTWNIZLCOI-PLSXKVAHSA-N 0 0 348.358 3.735 50 30 EHEARN COc1ccc(C2(C(=O)N3CCC(C#N)CC3)CCCCC2)cc1 ZINC000058364306 563943806 /nfs/dbraw/zinc/94/38/06/563943806.db2.gz RXPXBAGZGMYOKD-UHFFFAOYSA-N 0 0 326.440 3.659 50 30 EHEARN N#CCc1ccc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000096433897 563952924 /nfs/dbraw/zinc/95/29/24/563952924.db2.gz MMSMVWGVBZWVIM-LJQANCHMSA-N 0 0 349.434 3.823 50 30 EHEARN N#CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000096443137 563953169 /nfs/dbraw/zinc/95/31/69/563953169.db2.gz ZFMAWYFGLFQXPO-UHFFFAOYSA-N 0 0 341.289 3.522 50 30 EHEARN C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC000097235046 563970827 /nfs/dbraw/zinc/97/08/27/563970827.db2.gz DGNJAORZOJRFKX-HUUCEWRRSA-N 0 0 334.423 3.578 50 30 EHEARN N#CCCN(C(=O)CC[C@H]1CCOC1)C12CC3CC(CC(C3)C1)C2 ZINC000097101952 563973292 /nfs/dbraw/zinc/97/32/92/563973292.db2.gz ZGNWGFMWSJRBEE-CCLIWJKGSA-N 0 0 330.472 3.514 50 30 EHEARN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@@H]2CCn3cncc3C2)cc1 ZINC000328930245 563974396 /nfs/dbraw/zinc/97/43/96/563974396.db2.gz HJGYAPBWWGHYNE-NEWSRXKRSA-N 0 0 339.439 3.631 50 30 EHEARN O=C1CC(C(F)(F)C(F)(F)C(F)(F)F)=Nc2ccccc2N1 ZINC000100053050 563981502 /nfs/dbraw/zinc/98/15/02/563981502.db2.gz OVKVVQHYQFDCIJ-UHFFFAOYSA-N 0 0 328.187 3.934 50 30 EHEARN C/C(=N\O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000100067419 563981938 /nfs/dbraw/zinc/98/19/38/563981938.db2.gz MPVSCERGCGOTBY-LDADJPATSA-N 0 0 335.860 3.926 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000100564346 563982666 /nfs/dbraw/zinc/98/26/66/563982666.db2.gz BUWFHEWUOJLLPD-KRWDZBQOSA-N 0 0 331.437 3.668 50 30 EHEARN COc1cccc(/C=N/n2cnnc2SCc2ccc(C)cc2)c1 ZINC000000147676 563987262 /nfs/dbraw/zinc/98/72/62/563987262.db2.gz UDVFDGFPKFMYHG-RGVLZGJSSA-N 0 0 338.436 3.770 50 30 EHEARN CC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2C)C1=O ZINC000004901884 563992351 /nfs/dbraw/zinc/99/23/51/563992351.db2.gz ZONLYPIJWOAPRU-UEYPFEJESA-N 0 0 341.436 3.832 50 30 EHEARN N#C[C@@H](C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc2ccccc2[nH]1 ZINC000408513922 563992820 /nfs/dbraw/zinc/99/28/20/563992820.db2.gz GYHYOWKIFZLUEK-IRXDYDNUSA-N 0 0 345.402 3.947 50 30 EHEARN Cc1cnc([C@H](C)NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)o1 ZINC000329415745 563996213 /nfs/dbraw/zinc/99/62/13/563996213.db2.gz FLPUHTBAJAOGJW-IUCAKERBSA-N 0 0 342.321 3.548 50 30 EHEARN CCN1CCN(c2oc(-c3ccc(C(C)(C)C)cc3)nc2C#N)CC1 ZINC000005204401 564000574 /nfs/dbraw/zinc/00/05/74/564000574.db2.gz CHAVOGJEGMQJDW-UHFFFAOYSA-N 0 0 338.455 3.653 50 30 EHEARN COc1ccccc1-c1nnc(SCc2ccccc2C#N)n1C ZINC000005230798 564001379 /nfs/dbraw/zinc/00/13/79/564001379.db2.gz KACFHEBVQNGWPC-UHFFFAOYSA-N 0 0 336.420 3.655 50 30 EHEARN COC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccco2)C1=O ZINC000005242768 564001515 /nfs/dbraw/zinc/00/15/15/564001515.db2.gz YDDIETNWHJUUNQ-LCYFTJDESA-N 0 0 345.351 3.572 50 30 EHEARN COc1cc(C#N)ccc1CNc1cc(Cl)ccc1NC(C)=O ZINC000158016509 564001749 /nfs/dbraw/zinc/00/17/49/564001749.db2.gz HHEPPHKBCOLVHV-UHFFFAOYSA-N 0 0 329.787 3.791 50 30 EHEARN N#C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1Cl ZINC000179483005 564001999 /nfs/dbraw/zinc/00/19/99/564001999.db2.gz AEEOXUPOYAUIMI-OLZOCXBDSA-N 0 0 347.827 3.643 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000005557416 564005452 /nfs/dbraw/zinc/00/54/52/564005452.db2.gz PJNLKQNEKROSSK-KRWDZBQOSA-N 0 0 335.334 3.663 50 30 EHEARN O=C1/C(=C/c2ccc3c(c2)OCO3)CC/C1=C\c1ccc2c(c1)OCO2 ZINC000004949646 564005562 /nfs/dbraw/zinc/00/55/62/564005562.db2.gz LNKNETAYXQLOBY-BGPOSVGRSA-N 0 0 348.354 3.974 50 30 EHEARN CCCCCCCC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000101065061 564017441 /nfs/dbraw/zinc/01/74/41/564017441.db2.gz SOXKIRXZPSXCED-UHFFFAOYSA-N 0 0 349.519 3.980 50 30 EHEARN CC1=CC(=O)C(=C([O-])C=Cc2cc(-c3cccs3)cs2)C(=O)O1 ZINC000102500639 564020089 /nfs/dbraw/zinc/02/00/89/564020089.db2.gz WGPZIAJQDAAMSK-DWTRPJMMSA-N 0 0 344.413 3.705 50 30 EHEARN N#C[C@@H](C(=O)CCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000103504402 564022613 /nfs/dbraw/zinc/02/26/13/564022613.db2.gz MCGGRRSFPLTSTO-AWEZNQCLSA-N 0 0 326.783 3.620 50 30 EHEARN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)C=Cc3cccc(Cl)c3)nc21 ZINC000104185505 564023771 /nfs/dbraw/zinc/02/37/71/564023771.db2.gz ZRRSRVGOFULGQS-GXMNPTEKSA-N 0 0 336.782 3.809 50 30 EHEARN Cc1ccc(NC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000014813911 564023961 /nfs/dbraw/zinc/02/39/61/564023961.db2.gz CNTPWRQQNZRDKX-UHFFFAOYSA-N 0 0 325.437 3.922 50 30 EHEARN CC1=NN(c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000048813606 564032331 /nfs/dbraw/zinc/03/23/31/564032331.db2.gz HOBJPMZAJTZXEM-INIZCTEOSA-N 0 0 343.390 3.639 50 30 EHEARN CCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)sc1C ZINC000005788985 564052175 /nfs/dbraw/zinc/05/21/75/564052175.db2.gz DYEHDHFDZBVDMD-LLVKDONJSA-N 0 0 342.420 3.675 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(CO)[C@@H]3CC[C@@]12C ZINC000254447902 564053682 /nfs/dbraw/zinc/05/36/82/564053682.db2.gz FIHWBGCIKMXLBI-WCAYHLDQSA-N 0 0 330.468 3.696 50 30 EHEARN COC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1 ZINC000005914541 564056975 /nfs/dbraw/zinc/05/69/75/564056975.db2.gz OBMFYJMUHGVNIO-VCHYOVAHSA-N 0 0 348.196 3.752 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000012527091 564058170 /nfs/dbraw/zinc/05/81/70/564058170.db2.gz OQFKCXKNIZORMH-INIZCTEOSA-N 0 0 349.434 3.955 50 30 EHEARN CO/N=C(/C[S@@](=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000001404681 564065129 /nfs/dbraw/zinc/06/51/29/564065129.db2.gz DUYNFYDLMIOUNF-KNIWAEIXSA-N 0 0 337.828 3.507 50 30 EHEARN C=CCN(CC(F)(F)F)C(=O)CCc1nc2ccccc2s1 ZINC000058344736 564065273 /nfs/dbraw/zinc/06/52/73/564065273.db2.gz ICZWWUAOKKDHJJ-UHFFFAOYSA-N 0 0 328.359 3.806 50 30 EHEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccncc1 ZINC000043761250 564076201 /nfs/dbraw/zinc/07/62/01/564076201.db2.gz VPNILJGONDFWMI-YBFXNURJSA-N 0 0 339.380 3.949 50 30 EHEARN C=CCn1c(=O)sc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 ZINC000015865099 564077175 /nfs/dbraw/zinc/07/71/75/564077175.db2.gz GLPUWHYNHRSOLC-UHFFFAOYSA-N 0 0 342.395 3.569 50 30 EHEARN C=C(Cl)CSc1nnc(C2CC2)n1-c1cccc(NC(C)=O)c1 ZINC000026136506 564079039 /nfs/dbraw/zinc/07/90/39/564079039.db2.gz ARXXDUDIMZAUNZ-UHFFFAOYSA-N 0 0 348.859 3.948 50 30 EHEARN CCC(C)(C)[C@@H]1CCc2nc(SCC(=O)OC)c(C#N)cc2C1 ZINC000075261112 564081226 /nfs/dbraw/zinc/08/12/26/564081226.db2.gz MNTFLJGGCIPQRM-CQSZACIVSA-N 0 0 332.469 3.759 50 30 EHEARN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sccc2C)cc1Cl ZINC000130265846 564088959 /nfs/dbraw/zinc/08/89/59/564088959.db2.gz HALSKFGEIUGEDD-LLVKDONJSA-N 0 0 348.811 3.680 50 30 EHEARN N#CCCCSc1nc2sccc2c(=O)n1-c1ccccc1 ZINC000006907304 564101156 /nfs/dbraw/zinc/10/11/56/564101156.db2.gz VWRORSMYJSDURP-UHFFFAOYSA-N 0 0 327.434 3.843 50 30 EHEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CC1CCCCC1 ZINC000007014944 564103154 /nfs/dbraw/zinc/10/31/54/564103154.db2.gz SZDXTHTXGGLGPU-UHFFFAOYSA-N 0 0 334.803 3.664 50 30 EHEARN COc1cc(NC=C2C(=O)CC3(CCCCC3)CC2=O)cc(OC)c1 ZINC000170063700 564105189 /nfs/dbraw/zinc/10/51/89/564105189.db2.gz HJRWBFNVRMIBEU-UHFFFAOYSA-N 0 0 343.423 3.882 50 30 EHEARN COc1cc(C#N)ccc1OCc1ccc(OC(F)F)c(OC)c1 ZINC000007394143 564107801 /nfs/dbraw/zinc/10/78/01/564107801.db2.gz LGJHGIBAUGVKIP-UHFFFAOYSA-N 0 0 335.306 3.756 50 30 EHEARN CC(C)(C#N)c1ccc(NC(=O)c2coc(C3CCOCC3)n2)cc1 ZINC000170597786 564109198 /nfs/dbraw/zinc/10/91/98/564109198.db2.gz NGWMRXNWNOOZQY-UHFFFAOYSA-N 0 0 339.395 3.622 50 30 EHEARN Cc1csc(CN(Cc2ccccc2C#N)C[C@H]2CCCO2)n1 ZINC000076006624 564114225 /nfs/dbraw/zinc/11/42/25/564114225.db2.gz JZMFIMOAQVWPCA-QGZVFWFLSA-N 0 0 327.453 3.504 50 30 EHEARN N#C[C@@H]1CCC[C@@H](Nc2cccc(C(=O)NCc3ccccn3)c2)C1 ZINC000193100905 564118413 /nfs/dbraw/zinc/11/84/13/564118413.db2.gz NSCYIDXAYITMMF-NVXWUHKLSA-N 0 0 334.423 3.506 50 30 EHEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000252460802 564118677 /nfs/dbraw/zinc/11/86/77/564118677.db2.gz IHSVOQFHJGLGTF-UHFFFAOYSA-N 0 0 328.372 3.593 50 30 EHEARN Cc1ccc(S(=O)(=O)O[C@@H](C)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003132952 564119135 /nfs/dbraw/zinc/11/91/35/564119135.db2.gz KDAJYOXGEHWABT-KGLIPLIRSA-N 0 0 349.408 3.801 50 30 EHEARN CC1(C)CCc2ccccc2[C@H](NC(=O)C2(C#N)CCOCC2)C1 ZINC000252508316 564119966 /nfs/dbraw/zinc/11/99/66/564119966.db2.gz XJTRRNJPYHITRJ-QGZVFWFLSA-N 0 0 326.440 3.527 50 30 EHEARN CC(=O)c1sc(N=NCc2c(O)ccc3ccccc32)nc1C ZINC000252589376 564120856 /nfs/dbraw/zinc/12/08/56/564120856.db2.gz AJXHZVSBQZQVJG-UHFFFAOYSA-N 0 0 325.393 3.959 50 30 EHEARN CCON=C(C)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000252610241 564121440 /nfs/dbraw/zinc/12/14/40/564121440.db2.gz HZNNYOXGMYTDFA-UHFFFAOYSA-N 0 0 348.402 3.971 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004081187 564128942 /nfs/dbraw/zinc/12/89/42/564128942.db2.gz UQVIXFCYKBWZPJ-ZRDSLKBOSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN C=C1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000043757576 564130141 /nfs/dbraw/zinc/13/01/41/564130141.db2.gz VRABBYPHXSPLAT-ZDQRBUBASA-N 0 0 344.495 3.796 50 30 EHEARN N#Cc1cc(F)c(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(F)c1 ZINC000253417560 564130863 /nfs/dbraw/zinc/13/08/63/564130863.db2.gz AMFDXRAYESRQQB-JTDSTZFVSA-N 0 0 340.373 3.845 50 30 EHEARN N#Cc1ccc(NC(=O)c2nc(Br)sc2C2CC2)cc1 ZINC000253431774 564131843 /nfs/dbraw/zinc/13/18/43/564131843.db2.gz TZCPOIBNFDUNEW-UHFFFAOYSA-N 0 0 348.225 3.907 50 30 EHEARN CC(=O)c1cccc(NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)c1 ZINC000002313138 564132208 /nfs/dbraw/zinc/13/22/08/564132208.db2.gz FEJSHDPOIPWYFM-UHFFFAOYSA-N 0 0 347.186 3.592 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc3cccnc32)n1 ZINC000000115491 564132857 /nfs/dbraw/zinc/13/28/57/564132857.db2.gz GDHINGSNSMSLFX-UHFFFAOYSA-N 0 0 348.431 3.849 50 30 EHEARN N#Cc1ccccc1-c1nc2ccc(N)c3c2c(n1)-c1ccccc1C3=O ZINC000000348369 564133100 /nfs/dbraw/zinc/13/31/00/564133100.db2.gz VILAGAWWQBIENS-UHFFFAOYSA-N 0 0 348.365 3.962 50 30 EHEARN N#Cc1ccsc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000008755712 564134050 /nfs/dbraw/zinc/13/40/50/564134050.db2.gz GNKMVMQGCUEZSP-UHFFFAOYSA-N 0 0 325.418 3.924 50 30 EHEARN C=CCNC(=O)C1(c2ccc(NC(=O)c3cccs3)cc2)CCC1 ZINC000013350759 564136252 /nfs/dbraw/zinc/13/62/52/564136252.db2.gz VMXHLRFAPJMYBH-UHFFFAOYSA-N 0 0 340.448 3.724 50 30 EHEARN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C2CCCC2)C(F)(F)F)no1 ZINC000328588541 564136636 /nfs/dbraw/zinc/13/66/36/564136636.db2.gz HZDDHUVXLBGVEU-NWDGAFQWSA-N 0 0 346.353 3.550 50 30 EHEARN O=C(Nc1ccc2[nH]cnc2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000328591548 564136732 /nfs/dbraw/zinc/13/67/32/564136732.db2.gz CBEYRMWLBZPIGA-UHFFFAOYSA-N 0 0 337.339 3.682 50 30 EHEARN CC(C)[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)c2ccccc2N1 ZINC000078998122 564137569 /nfs/dbraw/zinc/13/75/69/564137569.db2.gz UBSXXIWNUCRLDT-LJQANCHMSA-N 0 0 349.434 3.615 50 30 EHEARN Cc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)ns1 ZINC000277898177 564138247 /nfs/dbraw/zinc/13/82/47/564138247.db2.gz NXQPKVMHRPKRFS-UHFFFAOYSA-N 0 0 329.469 3.776 50 30 EHEARN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2csc3ccccc23)cc1 ZINC000390834176 564138909 /nfs/dbraw/zinc/13/89/09/564138909.db2.gz TZGQYUMHMNMROP-MRXNPFEDSA-N 0 0 345.427 3.772 50 30 EHEARN Cc1cnc(C(C)(C)NC(=O)N[C@H](C)c2cccc(C#N)c2)s1 ZINC000080158544 564139161 /nfs/dbraw/zinc/13/91/61/564139161.db2.gz XYWUNHDYWAJMEB-GFCCVEGCSA-N 0 0 328.441 3.619 50 30 EHEARN CCc1cccc(OC2CN(C(=O)Nc3ccc(C)c(C#N)c3)C2)c1 ZINC000096141027 564145790 /nfs/dbraw/zinc/14/57/90/564145790.db2.gz JNNSNTGGCZUENA-UHFFFAOYSA-N 0 0 335.407 3.724 50 30 EHEARN N#Cc1cnc(N2CCC[C@H]2c2ccc(Br)c(F)c2)cn1 ZINC000282035744 564145974 /nfs/dbraw/zinc/14/59/74/564145974.db2.gz RUVZHVVYYDRONL-AWEZNQCLSA-N 0 0 347.191 3.591 50 30 EHEARN Cc1nn(C)c(C)c1C(=O)/C=C\c1ccccc1OCc1cccnc1 ZINC000096256201 564146156 /nfs/dbraw/zinc/14/61/56/564146156.db2.gz NCKYADTUGMSZOV-KHPPLWFESA-N 0 0 347.418 3.907 50 30 EHEARN O=C(c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000096409369 564147525 /nfs/dbraw/zinc/14/75/25/564147525.db2.gz JRQMHALTHWHMOM-UHFFFAOYSA-N 0 0 329.215 3.783 50 30 EHEARN N#Cc1ccc(-c2cccc(CNC(=O)Cc3cccnc3)c2)s1 ZINC000096416510 564147800 /nfs/dbraw/zinc/14/78/00/564147800.db2.gz KJWQBGYJVHGPJV-UHFFFAOYSA-N 0 0 333.416 3.541 50 30 EHEARN COc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1N1CCCC1=O ZINC000096436863 564148054 /nfs/dbraw/zinc/14/80/54/564148054.db2.gz DASZQQONSQERTB-AWEZNQCLSA-N 0 0 335.407 3.867 50 30 EHEARN Cc1ccc2nc3c(C#N)cc4cc5ccccc5nc4n3c(=O)c2c1 ZINC000003182722 564155763 /nfs/dbraw/zinc/15/57/63/564155763.db2.gz QKKIKHXMXJNWOJ-UHFFFAOYSA-N 0 0 336.354 3.729 50 30 EHEARN N#Cc1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl ZINC000003445171 564158184 /nfs/dbraw/zinc/15/81/84/564158184.db2.gz YBXMJVYPBSSDGR-UHFFFAOYSA-N 0 0 335.190 3.560 50 30 EHEARN N#Cc1ccc(NC(=O)CN2CCSc3ccccc32)cc1Cl ZINC000003453064 564158239 /nfs/dbraw/zinc/15/82/39/564158239.db2.gz WGWCLBVCLJSBOR-UHFFFAOYSA-N 0 0 343.839 3.762 50 30 EHEARN N#Cc1cc(F)c(NC2CCN(C(=O)C3CCCCC3)CC2)c(F)c1 ZINC000058306336 564158527 /nfs/dbraw/zinc/15/85/27/564158527.db2.gz BHAOKWQMCNUHNH-UHFFFAOYSA-N 0 0 347.409 3.820 50 30 EHEARN Cc1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cs1 ZINC000058367707 564158892 /nfs/dbraw/zinc/15/88/92/564158892.db2.gz JJEXXUIJUDRBMK-UHFFFAOYSA-N 0 0 339.342 3.528 50 30 EHEARN C=CCn1c(S[C@@H]2CCCC2=O)nnc1-c1ccc(Cl)cc1 ZINC000003565340 564158963 /nfs/dbraw/zinc/15/89/63/564158963.db2.gz MDLOOAUPZFNBEG-CQSZACIVSA-N 0 0 333.844 3.998 50 30 EHEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccco3)on1)CCCC2 ZINC000003908440 564159659 /nfs/dbraw/zinc/15/96/59/564159659.db2.gz KSPMTNBRDICCJB-UHFFFAOYSA-N 0 0 339.376 3.999 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cc3cccc(OC)c3oc2=O)cc1 ZINC000003911103 564159696 /nfs/dbraw/zinc/15/96/96/564159696.db2.gz CLBLWDSQANNIBO-DHZHZOJOSA-N 0 0 336.343 3.706 50 30 biogenic EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000008038575 564162342 /nfs/dbraw/zinc/16/23/42/564162342.db2.gz PSNFRSOHIPWIHQ-MRXNPFEDSA-N 0 0 332.403 3.641 50 30 EHEARN O=C1CS/C(=N\N=C\c2ccco2)N1Cc1cccc2ccccc21 ZINC000008643118 564166196 /nfs/dbraw/zinc/16/61/96/564166196.db2.gz NJPQITFBTNXCNQ-YOPNLDQXSA-N 0 0 349.415 3.898 50 30 EHEARN CC(=O)Nc1sc(N=NCc2ccco2)nc1-c1cccs1 ZINC000008830138 564167456 /nfs/dbraw/zinc/16/74/56/564167456.db2.gz VIJLSWRYLBYSJX-OVCLIPMQSA-N 0 0 332.410 3.869 50 30 EHEARN Cc1noc(-c2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)n1 ZINC000040050031 564167877 /nfs/dbraw/zinc/16/78/77/564167877.db2.gz SQOMBJGFSVXQJQ-UHFFFAOYSA-N 0 0 338.754 3.822 50 30 EHEARN C=CCN1c2cc(NC(=O)CC(C)C)ccc2OCC(C)(C)C1=O ZINC000008959525 564168275 /nfs/dbraw/zinc/16/82/75/564168275.db2.gz PYWZHODKGDGXJI-UHFFFAOYSA-N 0 0 330.428 3.609 50 30 EHEARN C=C(C)CN(CC)C(=O)c1cccc(CSc2nccn2C)c1 ZINC000069484120 564169793 /nfs/dbraw/zinc/16/97/93/564169793.db2.gz FMRMUQJSKFIANM-UHFFFAOYSA-N 0 0 329.469 3.751 50 30 EHEARN Cc1cc([C@H](C#N)C(=O)c2cc3c(s2)CCCCC3)nc(C)n1 ZINC000041573984 564174114 /nfs/dbraw/zinc/17/41/14/564174114.db2.gz KDJHHSOMMHCHCD-AWEZNQCLSA-N 0 0 325.437 3.914 50 30 EHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000009576992 564174200 /nfs/dbraw/zinc/17/42/00/564174200.db2.gz XCNPIIILFOSWGF-OKHBPPCESA-N 0 0 344.388 3.695 50 30 EHEARN N#Cc1ccc(OCCSc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000009837200 564174690 /nfs/dbraw/zinc/17/46/90/564174690.db2.gz SFAPDJBCVJQSKC-UHFFFAOYSA-N 0 0 340.383 3.654 50 30 EHEARN COCc1cc(C)nc(SCc2ccc(C(=O)OC)s2)c1C#N ZINC000078546867 564176992 /nfs/dbraw/zinc/17/69/92/564176992.db2.gz FTGYFUVCGHMZSU-UHFFFAOYSA-N 0 0 348.449 3.549 50 30 EHEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCO3)sc2C1 ZINC000000368813 568422608 /nfs/dbraw/zinc/42/26/08/568422608.db2.gz KMILGOZZOHHFHY-RISCZKNCSA-N 0 0 332.469 3.888 50 30 EHEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(F)cc2N(C)C)cc1 ZINC000079105030 1028477787 /nfs/dbraw/zinc/47/77/87/1028477787.db2.gz MSGFCNBDRORQJI-IZZDOVSWSA-N 0 0 327.355 3.574 50 30 EHEARN S=C1N=C(c2ccccc2)CN1N=Cc1ccc(-n2ccnc2)cc1 ZINC000263630088 1028757888 /nfs/dbraw/zinc/75/78/88/1028757888.db2.gz HABHNWKPOBUGTA-UHFFFAOYSA-N 0 0 345.431 3.907 50 30 EHEARN C=C(C)CN(CC)c1ncnc2sc(C(=O)NC(C)C)c(C)c21 ZINC000014952954 1029844842 /nfs/dbraw/zinc/84/48/42/1029844842.db2.gz OVGDWIKPQUMTAF-UHFFFAOYSA-N 0 0 332.473 3.540 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000190711842 1030919667 /nfs/dbraw/zinc/91/96/67/1030919667.db2.gz UELWAWXOJUVVPY-AWEZNQCLSA-N 0 0 343.452 3.883 50 30 EHEARN C[C@H]1c2cccn2CCN1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000057650889 1037024295 /nfs/dbraw/zinc/02/42/95/1037024295.db2.gz FIZQCHDEEVLNMY-YIRPMMGJSA-N 0 0 349.478 3.745 50 30 EHEARN Cc1ccc(CNC(=O)CON=Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000254308638 1038937652 /nfs/dbraw/zinc/93/76/52/1038937652.db2.gz FZUBDTYNXBGRIJ-UHFFFAOYSA-N 0 0 338.451 3.959 50 30 EHEARN COc1cc(/C=C\C(=O)c2cc(C)ccc2OC)cc(OC)c1O ZINC000096891561 1039404785 /nfs/dbraw/zinc/40/47/85/1039404785.db2.gz PLNZNEZBNXRGQG-SREVYHEPSA-N 0 0 328.364 3.623 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC(F)(c3ccccc3)CC2)N=N1 ZINC000952880380 1137483208 /nfs/dbraw/zinc/48/32/08/1137483208.db2.gz JZPGCEBXXJNNAV-UHFFFAOYSA-N 0 0 327.403 3.830 50 30 EHEARN CC1(C)[C@H]2CC[C@]1(C)C(=NN=Cc1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000885847076 1138022125 /nfs/dbraw/zinc/02/21/25/1138022125.db2.gz MUWZPUZVZCVPPN-KPZWWZAWSA-N 0 0 343.383 3.945 50 30 EHEARN CCC(C#CCN1CCCC[C@H]1c1cccnc1)(CC)OC(C)=O ZINC000055246628 214295606 /nfs/dbraw/zinc/29/56/06/214295606.db2.gz BRAPCPOGOWCNNC-IBGZPJMESA-N 0 0 328.456 3.734 50 30 biogenic EHEARN C=C(C)COc1ccc(C(=O)N(Cc2ccco2)C(C)(C)CO)cc1 ZINC000055371632 214314082 /nfs/dbraw/zinc/31/40/82/214314082.db2.gz LYBRNNOCJABFJO-UHFFFAOYSA-N 0 0 343.423 3.648 50 30 EHEARN Cn1c(SCc2cc(C#N)ccc2F)nnc1-c1ccc(F)cc1 ZINC000010495873 201800434 /nfs/dbraw/zinc/80/04/34/201800434.db2.gz KOQQBOVTOFGYTN-UHFFFAOYSA-N 0 0 342.374 3.924 50 30 EHEARN COc1cccc2cc(/C=C/C(=O)c3ccc4[nH]c(=O)[nH]c4c3)oc21 ZINC000012759264 201865803 /nfs/dbraw/zinc/86/58/03/201865803.db2.gz QMOAVINPLCPBOZ-SOFGYWHQSA-N 0 0 334.331 3.507 50 30 EHEARN CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000103504430 219309215 /nfs/dbraw/zinc/30/92/15/219309215.db2.gz FNNAKPBTCZFLRM-AWEZNQCLSA-N 0 0 342.782 3.700 50 30 EHEARN C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S ZINC000001057972 209704805 /nfs/dbraw/zinc/70/48/05/209704805.db2.gz IWCMJAANWGVXDI-XFFZJAGNSA-N 0 0 340.813 3.635 50 30 EHEARN CSc1nc(NC[C@H]2CCCO2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820743 202022240 /nfs/dbraw/zinc/02/22/40/202022240.db2.gz FHHRLNPSVDOSIN-CQSZACIVSA-N 0 0 340.452 3.637 50 30 EHEARN N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccccn1 ZINC000020094499 202031948 /nfs/dbraw/zinc/03/19/48/202031948.db2.gz GKJHYGPYEBNIHJ-UHFFFAOYSA-N 0 0 329.388 3.620 50 30 EHEARN O=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1c1ccccc1 ZINC000020523414 202047652 /nfs/dbraw/zinc/04/76/52/202047652.db2.gz RKLRPFNWXLBCHE-CIWBWUJOSA-N 0 0 329.812 3.810 50 30 EHEARN N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(O)cc2O)cc1 ZINC000022415764 202084374 /nfs/dbraw/zinc/08/43/74/202084374.db2.gz GWSUMKQDAFHDHN-UHFFFAOYSA-N 0 0 345.354 3.993 50 30 EHEARN CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000030522401 202196252 /nfs/dbraw/zinc/19/62/52/202196252.db2.gz DOWUCVUHMDDNNK-UHFFFAOYSA-N 0 0 342.464 3.676 50 30 EHEARN C=CCN(Cc1cccn1Cc1ccc(F)cc1)[C@H](C)C(=O)OCC ZINC000035843747 213050534 /nfs/dbraw/zinc/05/05/34/213050534.db2.gz DXZRHANNGXSRJP-MRXNPFEDSA-N 0 0 344.430 3.615 50 30 EHEARN O=C1C[C@H](c2ccccc2Cl)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000032094671 202221772 /nfs/dbraw/zinc/22/17/72/202221772.db2.gz PKAWMYJIBMQCEE-CYBMUJFWSA-N 0 0 338.746 3.704 50 30 EHEARN CC(C)c1ccc(CN(c2cccc(C#N)c2)S(C)(=O)=O)cc1 ZINC000032899460 202239874 /nfs/dbraw/zinc/23/98/74/202239874.db2.gz ANNNGLSYGMUTMW-UHFFFAOYSA-N 0 0 328.437 3.648 50 30 EHEARN C=CCSc1nnc2c3sc4nc(C)cc(C)c4c3ncn12 ZINC000032069517 212784809 /nfs/dbraw/zinc/78/48/09/212784809.db2.gz MKHRKQXHQSCIIV-UHFFFAOYSA-N 0 0 327.438 3.782 50 30 EHEARN CC(=O)[C@H]1[C@H](c2cccs2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000035366091 202300156 /nfs/dbraw/zinc/30/01/56/202300156.db2.gz YMQWZJRTSSNWOJ-FHWLQOOXSA-N 0 0 345.427 3.864 50 30 EHEARN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(C#N)cc1 ZINC000031329926 212731981 /nfs/dbraw/zinc/73/19/81/212731981.db2.gz BRVFKLKZWPOHQP-UHFFFAOYSA-N 0 0 334.297 3.729 50 30 EHEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccccc1 ZINC000005804531 201361941 /nfs/dbraw/zinc/36/19/41/201361941.db2.gz BQPFWSIAJXCPRM-ODLFYWEKSA-N 0 0 343.338 3.917 50 30 biogenic EHEARN CC(=O)Oc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000008992190 201363745 /nfs/dbraw/zinc/36/37/45/201363745.db2.gz ULMVFDKKQODOOW-DJKKODMXSA-N 0 0 333.343 3.720 50 30 EHEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O ZINC000000534248 201359206 /nfs/dbraw/zinc/35/92/06/201359206.db2.gz SSVCAULFCIUCSF-ZROIWOOFSA-N 0 0 329.377 3.733 50 30 EHEARN C/C=C\c1cc(C(=O)Nc2sccc2C#N)cc(OC)c1OC ZINC000096305211 201377249 /nfs/dbraw/zinc/37/72/49/201377249.db2.gz IWPXSQSTXBEUSH-PLNGDYQASA-N 0 0 328.393 3.922 50 30 EHEARN N#Cc1ccc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cc1 ZINC000096635210 201378068 /nfs/dbraw/zinc/37/80/68/201378068.db2.gz UNOUGUMNFMOJKP-NTEUORMPSA-N 0 0 340.285 3.504 50 30 EHEARN COc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1OC ZINC000096988693 201378621 /nfs/dbraw/zinc/37/86/21/201378621.db2.gz AQTLKLLXNCDFRZ-LCYFTJDESA-N 0 0 328.339 3.892 50 30 EHEARN Cc1sc(NC(=O)CCc2ccc3c(c2)OCO3)c(C#N)c1C ZINC000024692100 212433864 /nfs/dbraw/zinc/43/38/64/212433864.db2.gz HSBSWXKSZGHUBH-UHFFFAOYSA-N 0 0 328.393 3.537 50 30 EHEARN COC(=O)c1ccc([C@H](C)Sc2nc3c(c(C)c2C#N)CCC3)o1 ZINC000048345239 202602975 /nfs/dbraw/zinc/60/29/75/202602975.db2.gz GNBIWDUWBNCGIZ-NSHDSACASA-N 0 0 342.420 3.983 50 30 EHEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3Cl)C12 ZINC000000071128 201430287 /nfs/dbraw/zinc/43/02/87/201430287.db2.gz QZYYADVBFDVCNJ-AWEZNQCLSA-N 0 0 335.194 3.607 50 30 EHEARN C=CCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000022288875 212288092 /nfs/dbraw/zinc/28/80/92/212288092.db2.gz WZPMAFMIXAIRIG-SAIXKJTDSA-N 0 0 329.446 3.781 50 30 EHEARN CCOC(=O)c1c(/N=C/c2cc(OC)ccc2O)sc2c1CCC2 ZINC000000501559 201480931 /nfs/dbraw/zinc/48/09/31/201480931.db2.gz JPFSRVPIICGDAA-VXLYETTFSA-N 0 0 345.420 3.878 50 30 EHEARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000003262102 201563346 /nfs/dbraw/zinc/56/33/46/201563346.db2.gz AROOOCKUWIDNQH-UHFFFAOYSA-N 0 0 336.391 3.651 50 30 EHEARN CCn1c(SCc2ccccc2C#N)nnc1-c1cccc(N)c1 ZINC000004678285 201610507 /nfs/dbraw/zinc/61/05/07/201610507.db2.gz RYJPCABHSVDALJ-UHFFFAOYSA-N 0 0 335.436 3.711 50 30 EHEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000005341824 201648001 /nfs/dbraw/zinc/64/80/01/201648001.db2.gz HCJKLUMRSQOCIE-IUXPMGMMSA-N 0 0 328.751 3.924 50 30 biogenic EHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)NC(=O)N1 ZINC000005833174 201665287 /nfs/dbraw/zinc/66/52/87/201665287.db2.gz QUIUQXUXUNHFPU-MRXNPFEDSA-N 0 0 344.773 3.990 50 30 EHEARN CCN(CC)C(=O)c1ccc(CNc2ncc(C#N)cc2Cl)cc1 ZINC000065593178 202868011 /nfs/dbraw/zinc/86/80/11/202868011.db2.gz UOQKAMMRGXXAOZ-UHFFFAOYSA-N 0 0 342.830 3.701 50 30 EHEARN Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccccc1OCCO ZINC000067772211 202932250 /nfs/dbraw/zinc/93/22/50/202932250.db2.gz BXDOTVCHQISEPB-UHFFFAOYSA-N 0 0 345.402 3.549 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000069461980 203006091 /nfs/dbraw/zinc/00/60/91/203006091.db2.gz YLCQYIANHSYNIF-INIZCTEOSA-N 0 0 335.363 3.656 50 30 EHEARN N#Cc1ccc(SCCC(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC000069893288 203061115 /nfs/dbraw/zinc/06/11/15/203061115.db2.gz ABEJQTGTXVEFSB-UHFFFAOYSA-N 0 0 337.448 3.627 50 30 EHEARN CCn1nc(C)c(-c2cc(-c3ccc(C#N)cc3)c(C#N)c(N)n2)c1C ZINC000071551849 203099498 /nfs/dbraw/zinc/09/94/98/203099498.db2.gz GURWTKXRZIQIQN-UHFFFAOYSA-N 0 0 342.406 3.574 50 30 EHEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1c[nH]nc1-c1cccc(F)c1 ZINC000071749646 203106600 /nfs/dbraw/zinc/10/66/00/203106600.db2.gz CRQHDNNMGSEPKQ-UHFFFAOYSA-N 0 0 344.353 3.727 50 30 EHEARN C=CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071803628 203116092 /nfs/dbraw/zinc/11/60/92/203116092.db2.gz DMMWVRGGFQXXCC-WDEREUQCSA-N 0 0 348.374 3.856 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)c1 ZINC000077487688 203391089 /nfs/dbraw/zinc/39/10/89/203391089.db2.gz UYJHDSQSAVTXOT-FQEVSTJZSA-N 0 0 346.430 3.612 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000089814446 203593324 /nfs/dbraw/zinc/59/33/24/203593324.db2.gz FWXGJMMVHHGNLT-UHFFFAOYSA-N 0 0 340.810 3.895 50 30 EHEARN CC(C)C(=O)[C@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101635121 204016461 /nfs/dbraw/zinc/01/64/61/204016461.db2.gz STYOFSWJBVDTSG-VIFPVBQESA-N 0 0 332.709 3.662 50 30 EHEARN C=CCn1c(=O)sc2cc(NC(=O)c3ccccc3F)ccc21 ZINC000015865100 211864778 /nfs/dbraw/zinc/86/47/78/211864778.db2.gz AXGWDUFGZSZZGF-UHFFFAOYSA-N 0 0 328.368 3.640 50 30 EHEARN Cc1cc(C)cc(-c2nnc(NC(=O)N3CCC(C#N)CC3)s2)c1 ZINC000131399269 205285712 /nfs/dbraw/zinc/28/57/12/205285712.db2.gz BHTIKJMPYYLQNA-UHFFFAOYSA-N 0 0 341.440 3.589 50 30 EHEARN C=CCNc1ncnc2sc(C(=O)N(CC)CC(=C)C)c(C)c21 ZINC000012281486 211332775 /nfs/dbraw/zinc/33/27/75/211332775.db2.gz RNQKNIKCRRRKOC-UHFFFAOYSA-N 0 0 330.457 3.636 50 30 EHEARN C=CCc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC ZINC000008943678 211021197 /nfs/dbraw/zinc/02/11/97/211021197.db2.gz UDZCOBZNFQPKTB-UHFFFAOYSA-N 0 0 339.391 3.887 50 30 EHEARN C=CCO[C@@H](C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000096408287 218759870 /nfs/dbraw/zinc/75/98/70/218759870.db2.gz NRYXRAXEGPEMMP-OWJWWREXSA-N 0 0 349.496 3.798 50 30 EHEARN C[C@H](Nc1ccc(CC#N)cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000014094621 207608325 /nfs/dbraw/zinc/60/83/25/207608325.db2.gz PNUQQDWAPKBGOT-LBPRGKRZSA-N 0 0 345.349 3.793 50 30 EHEARN C=CCn1c2nc3ccccc3nc2c2c1ncn(C1CCCC1)c2=O ZINC000004858665 210303453 /nfs/dbraw/zinc/30/34/53/210303453.db2.gz UAHJBQNPUBHETQ-UHFFFAOYSA-N 0 0 345.406 3.596 50 30 EHEARN N#C[C@H](CCc1ccccc1)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000330032188 258002645 /nfs/dbraw/zinc/00/26/45/258002645.db2.gz JIUXFEHAQSKKTK-IBGZPJMESA-N 0 0 334.419 3.893 50 30 EHEARN COc1cccc(CC(=O)NCCc2ccc(C(F)(F)F)cc2)n1 ZINC000330031750 258003164 /nfs/dbraw/zinc/00/31/64/258003164.db2.gz CQFWXQZEJKJSSM-UHFFFAOYSA-N 0 0 338.329 3.851 50 30 EHEARN C=C(C)Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 ZINC000002721466 258046872 /nfs/dbraw/zinc/04/68/72/258046872.db2.gz FDCFORAESVUEOG-UHFFFAOYSA-N 0 0 333.435 3.514 50 30 EHEARN CCOc1cc(/C=N/NC(=S)Nc2cccc(Cl)c2)ccc1O ZINC000002543320 258049987 /nfs/dbraw/zinc/04/99/87/258049987.db2.gz PNGVOKXNTGBOBO-VCHYOVAHSA-N 0 0 349.843 3.765 50 30 EHEARN C#CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OC ZINC000004856049 518317077 /nfs/dbraw/zinc/31/70/77/518317077.db2.gz WAKUADUOQKREPW-UHFFFAOYSA-N 0 0 346.770 3.881 50 30 EHEARN C=C(C)COc1c(CN(C)[C@H](C)c2ccncn2)cccc1OC ZINC000055196978 518609933 /nfs/dbraw/zinc/60/99/33/518609933.db2.gz GRPZSUXSGHIHMI-OAHLLOKOSA-N 0 0 327.428 3.633 50 30 EHEARN C=C(C)CSc1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000016033747 518627525 /nfs/dbraw/zinc/62/75/25/518627525.db2.gz BPCJAWLDVOKUEX-LLVKDONJSA-N 0 0 325.434 3.810 50 30 EHEARN C=CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc2[nH]c(C)nc2c1 ZINC000055401535 518782355 /nfs/dbraw/zinc/78/23/55/518782355.db2.gz XLLCCESODORJDE-UHFFFAOYSA-N 0 0 337.398 3.768 50 30 EHEARN C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)Oc1ccccc1OC ZINC000055568628 518782475 /nfs/dbraw/zinc/78/24/75/518782475.db2.gz IDSRVOBFJLERTL-OAHLLOKOSA-N 0 0 343.398 3.816 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C ZINC000005450799 518797436 /nfs/dbraw/zinc/79/74/36/518797436.db2.gz RYUIDHKWEHSWIZ-UHFFFAOYSA-N 0 0 348.834 3.886 50 30 EHEARN C=CCNC(=O)C(C#N)(Cc1ccccc1F)Cc1ccccc1F ZINC000003337987 518882082 /nfs/dbraw/zinc/88/20/82/518882082.db2.gz QIYOYXNIBMWAMK-UHFFFAOYSA-N 0 0 340.373 3.562 50 30 EHEARN C=CCn1c(C)nnc1SCc1cc(-c2ccc(OC)cc2)no1 ZINC000011382295 519174440 /nfs/dbraw/zinc/17/44/40/519174440.db2.gz HWOIHSJCJCQQGC-UHFFFAOYSA-N 0 0 342.424 3.728 50 30 EHEARN C=CCn1cc(CN(Cc2ccsc2)C[C@@H]2CCCO2)c(C)n1 ZINC000055369308 519278126 /nfs/dbraw/zinc/27/81/26/519278126.db2.gz TYPOKIALVNVDKA-SFHVURJKSA-N 0 0 331.485 3.620 50 30 EHEARN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCC(C#N)CC1 ZINC000065566148 520495770 /nfs/dbraw/zinc/49/57/70/520495770.db2.gz AFDRICXKROXMRW-BQYQJAHWSA-N 0 0 349.434 3.799 50 30 EHEARN CCN(CCC#N)c1ccc(NN=C2c3ccccc3C=CC2=O)cc1 ZINC000252428665 520979361 /nfs/dbraw/zinc/97/93/61/520979361.db2.gz SSDUMKWAHBEUMC-UHFFFAOYSA-N 0 0 344.418 3.839 50 30 EHEARN CCOc1ccc2cc(C(=O)N(CCC#N)Cc3ccco3)[nH]c2c1 ZINC000058201427 521295412 /nfs/dbraw/zinc/29/54/12/521295412.db2.gz AWBCJRGRXYVWPR-UHFFFAOYSA-N 0 0 337.379 3.716 50 30 EHEARN COc1cc(CN=Nc2ocnc2C#N)ccc1OCc1ccccc1 ZINC000026770264 521999607 /nfs/dbraw/zinc/99/96/07/521999607.db2.gz IWCBOCGXOXKSQA-SSDVNMTOSA-N 0 0 348.362 3.580 50 30 EHEARN N#CCCN(C(=O)c1cc(C#N)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000187052665 534632821 /nfs/dbraw/zinc/63/28/21/534632821.db2.gz FNLVAEMRQDKGEL-UHFFFAOYSA-N 0 0 339.464 3.944 50 30 EHEARN CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000328588210 526056260 /nfs/dbraw/zinc/05/62/60/526056260.db2.gz ZNRNMYTUODDXEZ-HIFRSBDPSA-N 0 0 344.484 3.986 50 30 EHEARN CSc1cccc(F)c1C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328586612 526095451 /nfs/dbraw/zinc/09/54/51/526095451.db2.gz LEBUDZFBEUKUAM-GFCCVEGCSA-N 0 0 333.432 3.935 50 30 EHEARN Cc1cc(C(=O)N(C)C2(C#N)CCC2)cc(C)c1OCc1cccnc1 ZINC000058407750 526218619 /nfs/dbraw/zinc/21/86/19/526218619.db2.gz ISXHZNJTBHDKKD-UHFFFAOYSA-N 0 0 349.434 3.796 50 30 EHEARN O=C(O/N=C(\c1cccs1)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000030836362 526412646 /nfs/dbraw/zinc/41/26/46/526412646.db2.gz LNTAYJHXEJKLRE-ICFOKQHNSA-N 0 0 342.332 3.859 50 30 EHEARN N#C[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(=O)NCc1ccccc1 ZINC000044903652 526495140 /nfs/dbraw/zinc/49/51/40/526495140.db2.gz NUSGYWTUJHMBGI-CQSZACIVSA-N 0 0 337.810 3.820 50 30 EHEARN O=C(Nc1nnc(-c2ccsc2)s1)[C@H]1Cc2ccccc2O1 ZINC000328586748 527503750 /nfs/dbraw/zinc/50/37/50/527503750.db2.gz XCZCFZSLKXEQAI-GFCCVEGCSA-N 0 0 329.406 3.858 50 30 EHEARN Cn1nccc1[C@H]1CCCCN1C(=O)NCc1ccc(Cl)s1 ZINC000328587068 527628636 /nfs/dbraw/zinc/62/86/36/527628636.db2.gz NAUUFQYNMKHNDK-CYBMUJFWSA-N 0 0 338.864 3.776 50 30 EHEARN N#CCc1cc(Br)cc(Br)c1OC(F)F ZINC000263624014 564056464 /nfs/dbraw/zinc/05/64/64/564056464.db2.gz MPPKGPKPUOSGHK-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN CCOc1ccccc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000000061227 563214085 /nfs/dbraw/zinc/21/40/85/563214085.db2.gz CYVGLYCDMQQRQJ-KGENOOAVSA-N 0 0 335.407 3.634 50 30 EHEARN Cc1c(/N=C\c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000230659 563263369 /nfs/dbraw/zinc/26/33/69/563263369.db2.gz JVBNUGGDDDTNSS-NDENLUEZSA-N 0 0 325.799 3.888 50 30 EHEARN CC1(C)CC(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)C1 ZINC000000276187 563270778 /nfs/dbraw/zinc/27/07/78/563270778.db2.gz KMHWWVHRYUFSTG-UHFFFAOYSA-N 0 0 338.363 3.727 50 30 EHEARN Cc1cc(C)c2c(c1)occ(C=C1C(=O)c3ccccc3C1=O)c2=O ZINC000000384215 563301316 /nfs/dbraw/zinc/30/13/16/563301316.db2.gz BOZKBQACJQJNNH-UHFFFAOYSA-N 0 0 330.339 3.872 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C1CCCCC1 ZINC000000408678 563307599 /nfs/dbraw/zinc/30/75/99/563307599.db2.gz GGVWCHYCTVXVSJ-QGZVFWFLSA-N 0 0 331.456 3.876 50 30 EHEARN O=C1c2ccccc2C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000000478751 563335777 /nfs/dbraw/zinc/33/57/77/563335777.db2.gz AKLZWSTXOWVVIG-UHFFFAOYSA-N 0 0 344.326 3.848 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000001769071 563410256 /nfs/dbraw/zinc/41/02/56/563410256.db2.gz UQVIXFCYKBWZPJ-BRNKUGCOSA-N 0 0 330.468 3.647 50 30 EHEARN O=C(/C(=C(\F)C(F)(F)C(F)(F)F)C(F)(F)F)N1CCCCC1 ZINC000002913478 563463098 /nfs/dbraw/zinc/46/30/98/563463098.db2.gz HYUSFSGLFJMHOW-VOTSOKGWSA-N 0 0 343.189 3.982 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000004928157 563515457 /nfs/dbraw/zinc/51/54/57/563515457.db2.gz DAKXRWFUULPRKF-KRWDZBQOSA-N 0 0 343.398 3.603 50 30 EHEARN Cc1ccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)cc1 ZINC000005730560 563547637 /nfs/dbraw/zinc/54/76/37/563547637.db2.gz ZKTIUCLAQMGPJT-RGVLZGJSSA-N 0 0 333.420 3.906 50 30 EHEARN Clc1ccc(C=NNc2cc(-c3ccccc3)nc3ncnn32)cc1 ZINC000005874662 563552771 /nfs/dbraw/zinc/55/27/71/563552771.db2.gz VFUWCOMCABWWES-SRZZPIQSSA-N 0 0 348.797 3.891 50 30 EHEARN O=C1C[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006819466 563587432 /nfs/dbraw/zinc/58/74/32/563587432.db2.gz BTNZQCZAXJRXJY-WBVHZDCISA-N 0 0 335.378 3.830 50 30 EHEARN CNc1ccccc(C(=O)/C=C/c2ccc(Br)cc2)c1=O ZINC000007089647 563595328 /nfs/dbraw/zinc/59/53/28/563595328.db2.gz WMXVOFLKDQUTMJ-DHZHZOJOSA-N 0 0 344.208 3.747 50 30 EHEARN Cc1ccc(S(=O)(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000002755838 563612396 /nfs/dbraw/zinc/61/23/96/563612396.db2.gz VUMDYLMCBDTATC-RQZCQDPDSA-N 0 0 343.235 3.614 50 30 EHEARN Cc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ncnn21 ZINC000009484296 563644317 /nfs/dbraw/zinc/64/43/17/563644317.db2.gz OXFDGCNXRCSJRX-ORAYPTAESA-N 0 0 346.390 3.595 50 30 EHEARN COc1cccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)c1 ZINC000012416671 563660326 /nfs/dbraw/zinc/66/03/26/563660326.db2.gz BRFZVCLXKJHXPY-IBGZPJMESA-N 0 0 333.391 3.923 50 30 EHEARN CSc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 ZINC000012561033 563663143 /nfs/dbraw/zinc/66/31/43/563663143.db2.gz NRNWHIYQAKZDIM-HMMYKYKNSA-N 0 0 325.481 3.560 50 30 EHEARN N#CCCn1cc(C(=O)Nc2ccc(F)cc2)c(-c2cccs2)n1 ZINC000004516876 563752483 /nfs/dbraw/zinc/75/24/83/563752483.db2.gz LUGVDHFLHMPUAR-UHFFFAOYSA-N 0 0 340.383 3.917 50 30 EHEARN N#Cc1ccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000004547849 563763814 /nfs/dbraw/zinc/76/38/14/563763814.db2.gz PKUFKCAJVUAKIC-UHFFFAOYSA-N 0 0 343.382 3.538 50 30 EHEARN COc1cc(C(=O)C=CNCc2ccc(C)cc2)cc(OC)c1OC ZINC000004551518 563772221 /nfs/dbraw/zinc/77/22/21/563772221.db2.gz AEYUAEVRMSDVRN-MDZDMXLPSA-N 0 0 341.407 3.507 50 30 EHEARN Cc1ccnc2[nH]c([C@H](C#N)C(=O)C=Cc3cccc(Cl)c3)nc21 ZINC000072296114 563912195 /nfs/dbraw/zinc/91/21/95/563912195.db2.gz ZRRSRVGOFULGQS-VBROQKIQSA-N 0 0 336.782 3.809 50 30 EHEARN C=CCNC(=O)Cc1csc(COc2ccc(Cl)c(C)c2)n1 ZINC000033011724 563925083 /nfs/dbraw/zinc/92/50/83/563925083.db2.gz RJXUPOGUPKYHBU-UHFFFAOYSA-N 0 0 336.844 3.529 50 30 EHEARN Cc1ocnc1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000096491441 563955638 /nfs/dbraw/zinc/95/56/38/563955638.db2.gz IFTUYESZHOMJIO-UHFFFAOYSA-N 0 0 348.362 3.969 50 30 EHEARN CC(C)[C@H](Nc1ncnc2c1cnn2CCC#N)c1ccc(F)cc1 ZINC000097200122 563970411 /nfs/dbraw/zinc/97/04/11/563970411.db2.gz VETXHTDRNVOHHV-INIZCTEOSA-N 0 0 338.390 3.688 50 30 EHEARN COCCOc1ccc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000098008731 563971072 /nfs/dbraw/zinc/97/10/72/563971072.db2.gz BEGOAIRZIIUACS-YHYXMXQVSA-N 0 0 341.363 3.825 50 30 EHEARN CCCCCCCNC(=O)c1ccccc1I ZINC000098050442 563982224 /nfs/dbraw/zinc/98/22/24/563982224.db2.gz DGGJUBDHDVMZIH-UHFFFAOYSA-N 0 0 345.224 3.991 50 30 EHEARN Cc1cccc(NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000014161446 563983320 /nfs/dbraw/zinc/98/33/20/563983320.db2.gz UDPZNYOSVSSOGP-UHFFFAOYSA-N 0 0 325.437 3.922 50 30 EHEARN O=C1CCCC(=O)C1C(C#Cc1ccccc1)C1C(=O)CCCC1=O ZINC000100112683 563983396 /nfs/dbraw/zinc/98/33/96/563983396.db2.gz DZFUFQLTAAOJHG-UHFFFAOYSA-N 0 0 336.387 3.785 50 30 EHEARN COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000000109135 563986529 /nfs/dbraw/zinc/98/65/29/563986529.db2.gz YMMJJEPPIBRKRX-MJGOQNOKSA-N 0 0 339.366 3.667 50 30 EHEARN CCOc1ccccc1/C=N/n1cnnc1SCc1ccccc1 ZINC000000147634 563987273 /nfs/dbraw/zinc/98/72/73/563987273.db2.gz MAMHOHCSODLSHN-UDWIEESQSA-N 0 0 338.436 3.851 50 30 EHEARN Cc1ccc(C)c(NC(=O)[C@H](C#N)C(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000100819215 563995608 /nfs/dbraw/zinc/99/56/08/563995608.db2.gz DWCRTGZQFMWLIV-GFCCVEGCSA-N 0 0 346.308 3.682 50 30 EHEARN Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)c1 ZINC000005214626 564001111 /nfs/dbraw/zinc/00/11/11/564001111.db2.gz NQTGGOVAHYPIQU-SXGWCWSVSA-N 0 0 338.388 3.615 50 30 EHEARN CCOc1nc2ccccc2nc1[C@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000005451638 564004201 /nfs/dbraw/zinc/00/42/01/564004201.db2.gz KIWHODPPXRLDJX-HNNXBMFYSA-N 0 0 346.390 3.583 50 30 EHEARN CCc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000005477368 564004490 /nfs/dbraw/zinc/00/44/90/564004490.db2.gz IEYCQGVEWKOGCG-MHWRWJLKSA-N 0 0 342.873 3.666 50 30 EHEARN CC(=O)C(=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1)C(C)=O ZINC000005495246 564004714 /nfs/dbraw/zinc/00/47/14/564004714.db2.gz RCDUFCORCOMQSI-UHFFFAOYSA-N 0 0 332.403 3.862 50 30 EHEARN CC(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCCCS3)cc1 ZINC000005607360 564006333 /nfs/dbraw/zinc/00/63/33/564006333.db2.gz MRLPBITVZOZEQT-UHFFFAOYSA-N 0 0 325.437 3.791 50 30 EHEARN N#CCSCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000120306152 564013098 /nfs/dbraw/zinc/01/30/98/564013098.db2.gz RKCUBOIIKWHXRO-TZMCWYRMSA-N 0 0 342.386 3.714 50 30 EHEARN CCc1cc(C#N)c(NC(=O)c2occc2Br)s1 ZINC000176853073 564013593 /nfs/dbraw/zinc/01/35/93/564013593.db2.gz FNVSNLBTEUETSY-UHFFFAOYSA-N 0 0 325.187 3.790 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)N[C@H]1CCCc2occc21 ZINC000188784885 564013613 /nfs/dbraw/zinc/01/36/13/564013613.db2.gz DDAFUOQPTIBTCD-AWEZNQCLSA-N 0 0 340.383 3.556 50 30 EHEARN C=C(C)COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC ZINC000000483773 564016837 /nfs/dbraw/zinc/01/68/37/564016837.db2.gz NRPRQLFBEODUOI-GZTJUZNOSA-N 0 0 349.386 3.995 50 30 EHEARN CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cncc(F)c2)cc1 ZINC000101635371 564019496 /nfs/dbraw/zinc/01/94/96/564019496.db2.gz KBNAPLNJKRGEFY-SJKOYZFVSA-N 0 0 339.370 3.695 50 30 EHEARN N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCCC1 ZINC000103259812 564021995 /nfs/dbraw/zinc/02/19/95/564021995.db2.gz QXPJWKURJOQULX-ZDUSSCGKSA-N 0 0 338.379 3.839 50 30 EHEARN C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000103590640 564022865 /nfs/dbraw/zinc/02/28/65/564022865.db2.gz XUKHTWTYXCXHAE-WFASDCNBSA-N 0 0 342.345 3.806 50 30 EHEARN COc1ccc(NC(=O)[C@H](C#N)C(=O)CC/C=C\c2ccccc2)cc1 ZINC000104173842 564023741 /nfs/dbraw/zinc/02/37/41/564023741.db2.gz SVGATCIHIJEKKZ-FVXMCEBTSA-N 0 0 348.402 3.836 50 30 EHEARN N#Cc1c(COC(=O)Cc2c(F)cccc2Cl)cn2ccccc12 ZINC000014858088 564025232 /nfs/dbraw/zinc/02/52/32/564025232.db2.gz YLDNRDVFHAPFER-UHFFFAOYSA-N 0 0 342.757 3.889 50 30 EHEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C(N)=O)cc2)cc1 ZINC000044843041 564027420 /nfs/dbraw/zinc/02/74/20/564027420.db2.gz KXYXGMYFFDLUPL-OUKQBFOZSA-N 0 0 338.407 3.773 50 30 EHEARN Cc1nnc(NCc2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000044976262 564028014 /nfs/dbraw/zinc/02/80/14/564028014.db2.gz OECDROGQCNLWBQ-UHFFFAOYSA-N 0 0 345.406 3.551 50 30 EHEARN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000109033981 564028624 /nfs/dbraw/zinc/02/86/24/564028624.db2.gz HYTMBMKVNRHTFC-YQQAZPJKSA-N 0 0 344.455 3.667 50 30 EHEARN O=C(C#Cc1ccccc1)Nc1scc2c1c(=O)oc1ccccc21 ZINC000006884828 564033784 /nfs/dbraw/zinc/03/37/84/564033784.db2.gz HCKZTENSXMZMMZ-UHFFFAOYSA-N 0 0 345.379 3.998 50 30 EHEARN CC/C(=N\N=C1\S[C@H](C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000012401986 564050668 /nfs/dbraw/zinc/05/06/68/564050668.db2.gz IOQGCFQJRDDVBG-WHDXICKISA-N 0 0 341.436 3.914 50 30 EHEARN COc1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cc1OC ZINC000265299474 564052738 /nfs/dbraw/zinc/05/27/38/564052738.db2.gz ZMIUZPSJSQOBQR-UHFFFAOYSA-N 0 0 337.301 3.601 50 30 EHEARN O=[N+]([O-])c1ccc([C@H](O)C/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000000973175 564053746 /nfs/dbraw/zinc/05/37/46/564053746.db2.gz HLVVYZODVRPTMT-YBCYLVPRSA-N 0 0 336.347 3.606 50 30 EHEARN C[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc2c(c1)OCCO2 ZINC000082110890 564056284 /nfs/dbraw/zinc/05/62/84/564056284.db2.gz ANMGUGPUGSOAKS-CYBMUJFWSA-N 0 0 344.386 3.705 50 30 EHEARN CN(C(=O)Cc1csc(-c2ccsc2)n1)c1cccc(C#N)c1 ZINC000063325907 564057101 /nfs/dbraw/zinc/05/71/01/564057101.db2.gz SVPXHXNAFBBXDD-UHFFFAOYSA-N 0 0 339.445 3.949 50 30 EHEARN CCOc1ccccc1OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000005987483 564057452 /nfs/dbraw/zinc/05/74/52/564057452.db2.gz JOELFGPABRKNCQ-UHFFFAOYSA-N 0 0 330.771 3.628 50 30 EHEARN CSc1nc(C2CC2)cc(C(=O)OCc2ccccc2C#N)c1C#N ZINC000012574566 564059971 /nfs/dbraw/zinc/05/99/71/564059971.db2.gz QCTCTDRMHPIFJN-UHFFFAOYSA-N 0 0 349.415 3.781 50 30 EHEARN CCc1nc2cc(N[C@@H](C(=O)OC)c3cccc(C#N)c3)ccc2o1 ZINC000083030518 564060502 /nfs/dbraw/zinc/06/05/02/564060502.db2.gz WNBOKQOLPCBEOD-GOSISDBHSA-N 0 0 335.363 3.588 50 30 EHEARN CSc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1F ZINC000083992935 564065749 /nfs/dbraw/zinc/06/57/49/564065749.db2.gz SKTYDSGMEVXFEG-UHFFFAOYSA-N 0 0 344.415 3.890 50 30 EHEARN C=CCn1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)c(C)n1 ZINC000065374201 564066751 /nfs/dbraw/zinc/06/67/51/564066751.db2.gz IDJNCPMPYVBZIP-RLLQIKCJSA-N 0 0 345.487 3.683 50 30 EHEARN C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000008104717 564072195 /nfs/dbraw/zinc/07/21/95/564072195.db2.gz HDQYAOBJOKZJSA-ZDUSSCGKSA-N 0 0 342.351 3.566 50 30 EHEARN N#CCC[C@H](C#N)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000012811365 564072842 /nfs/dbraw/zinc/07/28/42/564072842.db2.gz VRULBCITRBMWEE-CQSZACIVSA-N 0 0 346.365 3.646 50 30 EHEARN N#CCc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000085482947 564073624 /nfs/dbraw/zinc/07/36/24/564073624.db2.gz WAZVRLNVHKSNRL-IBGZPJMESA-N 0 0 332.403 3.630 50 30 EHEARN C=C(COCc1ccc(OC)cc1)COCc1ccc(OC)cc1 ZINC000043199210 564076204 /nfs/dbraw/zinc/07/62/04/564076204.db2.gz UFARSBORPXGGDZ-UHFFFAOYSA-N 0 0 328.408 3.993 50 30 EHEARN COc1ccc(-c2nc3ccccc3c3nnc(SCC#N)n32)cc1 ZINC000015868038 564077285 /nfs/dbraw/zinc/07/72/85/564077285.db2.gz VJLTWGWLPXVKJJ-UHFFFAOYSA-N 0 0 347.403 3.569 50 30 EHEARN N#Cc1ccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000012948622 564079779 /nfs/dbraw/zinc/07/97/79/564079779.db2.gz PEDDACJTQUNLOQ-LJQANCHMSA-N 0 0 340.810 3.858 50 30 EHEARN COc1ccc(NC(C)=O)cc1NCC#Cc1ccc(Cl)cc1 ZINC000075105175 564079993 /nfs/dbraw/zinc/07/99/93/564079993.db2.gz FWHATKMENPQPCG-UHFFFAOYSA-N 0 0 328.799 3.771 50 30 EHEARN C=C[C@@](C)(CCOC)C(=O)N1Cc2cccc(Br)c2C1 ZINC000186855602 564082269 /nfs/dbraw/zinc/08/22/69/564082269.db2.gz SAOBQIQKUWNJOA-INIZCTEOSA-N 0 0 338.245 3.520 50 30 EHEARN C=C[C@](C)(CCOC)C(=O)N1Cc2cccc(Br)c2C1 ZINC000186855618 564082274 /nfs/dbraw/zinc/08/22/74/564082274.db2.gz SAOBQIQKUWNJOA-MRXNPFEDSA-N 0 0 338.245 3.520 50 30 EHEARN N#Cc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1Cl ZINC000155319129 564086719 /nfs/dbraw/zinc/08/67/19/564086719.db2.gz HSXWPLPULOROMK-MRXNPFEDSA-N 0 0 344.798 3.626 50 30 EHEARN N#Cc1c2c(sc1NC(=O)CO/N=C/c1cccs1)CCCC2 ZINC000001778128 564087498 /nfs/dbraw/zinc/08/74/98/564087498.db2.gz HDQMRYLFICXSCB-GIJQJNRQSA-N 0 0 345.449 3.549 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000075582818 564089693 /nfs/dbraw/zinc/08/96/93/564089693.db2.gz ICCXGMFWAKABOG-NSHDSACASA-N 0 0 333.844 3.767 50 30 EHEARN C[C@H](CN1CC(=O)C(c2nc3ccccc3s2)=C1N)c1ccccc1 ZINC000064838116 564096752 /nfs/dbraw/zinc/09/67/52/564096752.db2.gz NCFBPAVKZITMDL-CYBMUJFWSA-N 0 0 349.459 3.612 50 30 EHEARN CCOC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000065604520 564108120 /nfs/dbraw/zinc/10/81/20/564108120.db2.gz KMAVDYKCGIUZCQ-UHFFFAOYSA-N 0 0 334.419 3.866 50 30 EHEARN C=CCNC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC000014221579 564112317 /nfs/dbraw/zinc/11/23/17/564112317.db2.gz ACXNNOFANKMFQW-UHFFFAOYSA-N 0 0 338.411 3.805 50 30 EHEARN CC[C@]1(C)NC(=O)N(N=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000252452720 564118578 /nfs/dbraw/zinc/11/85/78/564118578.db2.gz YCUURBQJZKXVNV-KRWDZBQOSA-N 0 0 345.786 3.654 50 30 EHEARN Cc1sc(N=Cc2cc([N+](=O)[O-])ccc2Cl)c(C(N)=O)c1C ZINC000252462657 564118769 /nfs/dbraw/zinc/11/87/69/564118769.db2.gz VDWVERUDMQFDCN-UHFFFAOYSA-N 0 0 337.788 3.776 50 30 EHEARN O=c1c2c3c(sc2ncn1N=Cc1c[nH]c2ccccc12)CCCC3 ZINC000252610234 564121442 /nfs/dbraw/zinc/12/14/42/564121442.db2.gz HZLPXBSBZHBAIG-UHFFFAOYSA-N 0 0 348.431 3.700 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc1OC ZINC000007714691 564122160 /nfs/dbraw/zinc/12/21/60/564122160.db2.gz JSXVXGRECSKCOL-VQHVLOKHSA-N 0 0 336.343 3.706 50 30 EHEARN Cc1ccc(S(=O)(=O)N(C)N=Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000252638239 564124608 /nfs/dbraw/zinc/12/46/08/564124608.db2.gz YALQNMIYBXQZHM-UHFFFAOYSA-N 0 0 344.480 3.947 50 30 EHEARN O=C1CS/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000002331163 564132370 /nfs/dbraw/zinc/13/23/70/564132370.db2.gz KSWJKCPQPKSZQX-HPCQOMFASA-N 0 0 343.839 3.806 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000055060909 564132506 /nfs/dbraw/zinc/13/25/06/564132506.db2.gz FQWVAJHMIQPRFX-GOSISDBHSA-N 0 0 334.419 3.891 50 30 EHEARN N#Cc1c(N)nc(-c2ccco2)cc1-c1cccn1-c1ccccn1 ZINC000067433287 564134815 /nfs/dbraw/zinc/13/48/15/564134815.db2.gz DAWWHRGIHUAJGY-UHFFFAOYSA-N 0 0 327.347 3.648 50 30 EHEARN N#Cc1cccc(N2CCC[C@](CO)(CCCc3ccccc3)C2)n1 ZINC000067724001 564134912 /nfs/dbraw/zinc/13/49/12/564134912.db2.gz ZUXUYCAZMORRKR-OAQYLSRUSA-N 0 0 335.451 3.555 50 30 EHEARN CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3cccc(C#N)n3)c2)C1 ZINC000426388423 564135057 /nfs/dbraw/zinc/13/50/57/564135057.db2.gz OVZOMRMTJXPEJB-LJQANCHMSA-N 0 0 349.434 3.651 50 30 EHEARN Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 ZINC000082109152 564135585 /nfs/dbraw/zinc/13/55/85/564135585.db2.gz HICUCTZQEIQEKP-KRWDZBQOSA-N 0 0 335.455 3.561 50 30 EHEARN CCSc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000390834279 564138952 /nfs/dbraw/zinc/13/89/52/564138952.db2.gz VQNICIAWBQHWCQ-MRXNPFEDSA-N 0 0 335.432 3.991 50 30 EHEARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cc(C#N)cs1 ZINC000095417614 564139759 /nfs/dbraw/zinc/13/97/59/564139759.db2.gz IKAFQKNPDNZRFL-MRXNPFEDSA-N 0 0 346.427 3.591 50 30 EHEARN N#CCCSc1ccccc1NC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000095944777 564142155 /nfs/dbraw/zinc/14/21/55/564142155.db2.gz RNRWILLPOZAFJL-OAHLLOKOSA-N 0 0 342.420 3.567 50 30 EHEARN Cc1cc(N[C@@H](CC#N)c2ccccc2)n2nc(C(F)(F)F)nc2n1 ZINC000095964650 564142904 /nfs/dbraw/zinc/14/29/04/564142904.db2.gz LQNJXHRHJBMBHW-LBPRGKRZSA-N 0 0 346.316 3.518 50 30 EHEARN C#CCN(CC(F)(F)F)C(=O)c1cccc(-c2ccccn2)c1C ZINC000095974526 564143526 /nfs/dbraw/zinc/14/35/26/564143526.db2.gz XVXGMPCKXVANLG-UHFFFAOYSA-N 0 0 332.325 3.695 50 30 EHEARN C=CCNC(=O)[C@H](C)OC(=O)/C=C\c1sc2ccccc2c1Cl ZINC000096126333 564145717 /nfs/dbraw/zinc/14/57/17/564145717.db2.gz KWENKLSIHFRYNK-IQQGHNRFSA-N 0 0 349.839 3.802 50 30 EHEARN COc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1OCCCC#N ZINC000096291719 564146445 /nfs/dbraw/zinc/14/64/45/564146445.db2.gz UAPRYKRSKFRGSI-CLFYSBASSA-N 0 0 337.375 3.979 50 30 EHEARN CO[C@](C)(CNC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000096392360 564147008 /nfs/dbraw/zinc/14/70/08/564147008.db2.gz KICAHJRSRBZZTH-GOSISDBHSA-N 0 0 328.799 3.503 50 30 EHEARN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000096422133 564147965 /nfs/dbraw/zinc/14/79/65/564147965.db2.gz NMGAZUPBJDBNAD-MCIONIFRSA-N 0 0 346.308 3.960 50 30 EHEARN CC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 ZINC000002868060 564152862 /nfs/dbraw/zinc/15/28/62/564152862.db2.gz ZBXTYZRDOVSMKP-UHFFFAOYSA-N 0 0 339.420 3.504 50 30 EHEARN CCCCCCCC(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 ZINC000059025116 564160335 /nfs/dbraw/zinc/16/03/35/564160335.db2.gz FYHAAHJQXLUQSI-UHFFFAOYSA-N 0 0 325.416 3.625 50 30 EHEARN CN(C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C1(C#N)CCC1 ZINC000066322164 564161774 /nfs/dbraw/zinc/16/17/74/564161774.db2.gz XGFPFZKCBYYJMH-UHFFFAOYSA-N 0 0 348.450 3.795 50 30 EHEARN Cc1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cs1 ZINC000007995590 564162027 /nfs/dbraw/zinc/16/20/27/564162027.db2.gz UZBAWXNJXLXYPX-VIFPVBQESA-N 0 0 331.466 3.691 50 30 EHEARN CC1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)CC1 ZINC000066862358 564164508 /nfs/dbraw/zinc/16/45/08/564164508.db2.gz GYPNJAPKEFFNLF-UHFFFAOYSA-N 0 0 348.450 3.845 50 30 EHEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccnc1 ZINC000066954167 564164838 /nfs/dbraw/zinc/16/48/38/564164838.db2.gz OCLTZMNCUBIDTF-ZDUSSCGKSA-N 0 0 326.425 3.798 50 30 EHEARN COc1ccc(-c2cnc(OCc3ccccc3)c(C#N)n2)cc1OC ZINC000008662722 564166253 /nfs/dbraw/zinc/16/62/53/564166253.db2.gz SXNOUUNUTSORTN-UHFFFAOYSA-N 0 0 347.374 3.611 50 30 EHEARN CC[C@@H](OC)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068725509 564167684 /nfs/dbraw/zinc/16/76/84/564167684.db2.gz LMUDHIBCXZTDBN-TVQRCGJNSA-N 0 0 336.363 3.690 50 30 EHEARN CC[C@H](C(=O)Nc1nn2c(nc(C)c(Cl)c2=O)[nH]1)c1ccccc1 ZINC000008914651 564167902 /nfs/dbraw/zinc/16/79/02/564167902.db2.gz NAOUJJDSFDKRFC-NSHDSACASA-N 0 0 345.790 3.574 50 30 EHEARN C=CCn1c(SCCCCCn2cc(C)cn2)nnc1C1CC1 ZINC000069324708 564168836 /nfs/dbraw/zinc/16/88/36/564168836.db2.gz IYLHDPKVPLACPX-UHFFFAOYSA-N 0 0 331.489 3.809 50 30 EHEARN Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000009133968 564170398 /nfs/dbraw/zinc/17/03/98/564170398.db2.gz PMLANVSHZPVQJP-FVMDXXJSSA-N 0 0 328.803 3.508 50 30 EHEARN N#CCc1cc(Br)c(Br)cc1OC(F)F ZINC000263622938 568419754 /nfs/dbraw/zinc/41/97/54/568419754.db2.gz CGZVTBSAIWYTRF-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN N#CCOc1ccccc1CN=Nc1c(F)c(F)c(F)c(F)c1F ZINC000046194379 1037975718 /nfs/dbraw/zinc/97/57/18/1037975718.db2.gz YYHWQJJPRGSZBN-QPJQQBGISA-N 0 0 341.239 3.730 50 30 EHEARN Oc1ccc(-c2csc(=NC3CC3)n2N=C2CCCCC2)c(O)c1 ZINC000254302900 1038889316 /nfs/dbraw/zinc/88/93/16/1038889316.db2.gz AJQPWAMXWIWNOE-UHFFFAOYSA-N 0 0 343.452 3.859 50 30 EHEARN COc1cc(/C=C2\CCOc3ccccc3C2=O)cc2c1OCCO2 ZINC000102971146 1042878926 /nfs/dbraw/zinc/87/89/26/1042878926.db2.gz HWJBSHHYDQIPCO-GXDHUFHOSA-N 0 0 338.359 3.515 50 30 EHEARN O=C(/C=C/c1cscn1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000050298567 214052947 /nfs/dbraw/zinc/05/29/47/214052947.db2.gz CSKBCMQXYNXHNH-MDZDMXLPSA-N 0 0 331.400 3.590 50 30 EHEARN C=C(C)CN1c2ccccc2[C@](O)(CC(=O)c2ccc(CC)cc2)C1=O ZINC000004724220 210260474 /nfs/dbraw/zinc/26/04/74/210260474.db2.gz ZGHHIYOVUNFTCJ-JOCHJYFZSA-N 0 0 349.430 3.632 50 30 EHEARN C=C(C)COc1ccccc1C(=O)NCCc1nc(C)c(C)s1 ZINC000055099312 214272601 /nfs/dbraw/zinc/27/26/01/214272601.db2.gz BISFXPYWEBQWLE-UHFFFAOYSA-N 0 0 330.453 3.687 50 30 EHEARN C=CCNc1ccccc1C(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000055099790 214273515 /nfs/dbraw/zinc/27/35/15/214273515.db2.gz TZCJPBPVOIVTES-MRXNPFEDSA-N 0 0 340.427 3.768 50 30 EHEARN C=CCn1cc(CN[C@@H](C)c2nc(-c3ccccc3C)no2)c(C)n1 ZINC000055182812 214283970 /nfs/dbraw/zinc/28/39/70/214283970.db2.gz QPUWARPDPQQCCE-HNNXBMFYSA-N 0 0 337.427 3.587 50 30 EHEARN C=CCNc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000002182021 209827978 /nfs/dbraw/zinc/82/79/78/209827978.db2.gz NMUNHINBJGGKPU-UHFFFAOYSA-N 0 0 326.425 3.689 50 30 EHEARN C#CC(C)(C)NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC000001401442 209739926 /nfs/dbraw/zinc/73/99/26/209739926.db2.gz DHUYSCZOCPUTOF-UHFFFAOYSA-N 0 0 348.355 3.729 50 30 EHEARN Cc1ccsc1/C=N/N1CCN(Cc2ccc(C)cc2C)CC1 ZINC000019791227 202020880 /nfs/dbraw/zinc/02/08/80/202020880.db2.gz YERKOSLZJSQSEU-DEDYPNTBSA-N 0 0 327.497 3.825 50 30 EHEARN CSc1c(C#N)c(N)nc(SCc2ccc(F)c(F)c2)c1C#N ZINC000020458723 202044247 /nfs/dbraw/zinc/04/42/47/202044247.db2.gz SISPTJBDVKOQMX-UHFFFAOYSA-N 0 0 348.403 3.700 50 30 EHEARN CN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000025114525 202126861 /nfs/dbraw/zinc/12/68/61/202126861.db2.gz NGRANUZHNLLZKC-UHFFFAOYSA-N 0 0 340.810 3.833 50 30 EHEARN N#Cc1c(CN2CC=C(c3ccc(O)cc3)CC2)cn2ccccc12 ZINC000025680560 202134077 /nfs/dbraw/zinc/13/40/77/202134077.db2.gz DVDAMULLUKEUJW-UHFFFAOYSA-N 0 0 329.403 3.806 50 30 EHEARN C[NH+](C)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccccc1 ZINC000027990696 202163012 /nfs/dbraw/zinc/16/30/12/202163012.db2.gz QBTBCOJNIGHKPQ-SFHVURJKSA-N 0 0 332.407 3.928 50 30 EHEARN Cc1cc(NC(=O)c2cccc(C#N)c2)n(-c2cc(C)cc(C)c2)n1 ZINC000039976704 202166666 /nfs/dbraw/zinc/16/66/66/202166666.db2.gz NDCGZPYGZGSYDL-UHFFFAOYSA-N 0 0 330.391 3.922 50 30 EHEARN COc1cc(C#N)ccc1OCCCC(=O)Oc1c(C)cccc1C ZINC000040128241 202172220 /nfs/dbraw/zinc/17/22/20/202172220.db2.gz PWSNHVFFGDSTRV-UHFFFAOYSA-N 0 0 339.391 3.948 50 30 EHEARN CC[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000030142156 202193488 /nfs/dbraw/zinc/19/34/88/202193488.db2.gz HNQAPZSGUQVVJT-AWEZNQCLSA-N 0 0 345.512 3.949 50 30 EHEARN COc1cc(C#N)ccc1OCc1ccc(-n2nc(C)cc2C)cc1 ZINC000030532844 202195837 /nfs/dbraw/zinc/19/58/37/202195837.db2.gz RZXOSZAUQGYWGH-UHFFFAOYSA-N 0 0 333.391 3.948 50 30 EHEARN CC(C)(O)C#Cc1ccc(-c2nccn2Cc2ccc(F)cc2)cc1 ZINC000067642354 202207274 /nfs/dbraw/zinc/20/72/74/202207274.db2.gz AYKICBFVKCMWDN-UHFFFAOYSA-N 0 0 334.394 3.860 50 30 EHEARN CCCOc1ccccc1/C=C1\Oc2ccc(C(=O)OC)cc2C1=O ZINC000033383921 202260093 /nfs/dbraw/zinc/26/00/93/202260093.db2.gz NYMSPCLRNIKHSB-PDGQHHTCSA-N 0 0 338.359 3.878 50 30 EHEARN COc1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1O ZINC000033470101 202261713 /nfs/dbraw/zinc/26/17/13/202261713.db2.gz GXZKBPPDEDNUKX-RQOWECAXSA-N 0 0 346.766 3.722 50 30 EHEARN C=CCOc1ccccc1CNC(=O)N(C)[C@H](C)c1ccccn1 ZINC000078926273 202410062 /nfs/dbraw/zinc/41/00/62/202410062.db2.gz KWKXUIGWZVWKAJ-OAHLLOKOSA-N 0 0 325.412 3.549 50 30 EHEARN CCn1nc(C)c(C(=O)/C=C\c2cc(Cl)c(O)c(OC)c2)c1C ZINC000096401028 201377102 /nfs/dbraw/zinc/37/71/02/201377102.db2.gz CNXYUYFEGJXJIA-SREVYHEPSA-N 0 0 334.803 3.784 50 30 EHEARN COc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1OC(F)F ZINC000096930452 201378301 /nfs/dbraw/zinc/37/83/01/201378301.db2.gz QPGOZADRXKIVGZ-VGOFMYFVSA-N 0 0 334.274 3.618 50 30 EHEARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C#N)cc1 ZINC000047157885 202577486 /nfs/dbraw/zinc/57/74/86/202577486.db2.gz ZJPIUJBHSUOKOM-UHFFFAOYSA-N 0 0 332.363 3.730 50 30 EHEARN Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(C#N)cc2F)o1 ZINC000058412703 202766413 /nfs/dbraw/zinc/76/64/13/202766413.db2.gz FCGPRGKSAPVILE-LJQANCHMSA-N 0 0 348.381 3.688 50 30 EHEARN N#CCOc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000023150434 212355862 /nfs/dbraw/zinc/35/58/62/212355862.db2.gz ZZNOWVJVFZHOKK-UHFFFAOYSA-N 0 0 331.169 3.604 50 30 EHEARN Cc1c(/C=C2\N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc(C#N)n1C ZINC000207723861 241063398 /nfs/dbraw/zinc/06/33/98/241063398.db2.gz MLYJDCUELLIHEX-WSVATBPTSA-N 0 0 349.434 3.718 50 30 EHEARN COc1cccc(/C=N/n2c3ccccc3n(C)c2=S)c1OC ZINC000000527176 201483680 /nfs/dbraw/zinc/48/36/80/201483680.db2.gz GJPRVTNQSVPMRB-WOJGMQOQSA-N 0 0 327.409 3.609 50 30 EHEARN COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000000551151 201486623 /nfs/dbraw/zinc/48/66/23/201486623.db2.gz BHECTSDCBNJKJN-UHFFFAOYSA-N 0 0 342.420 3.525 50 30 EHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000001258816 201501027 /nfs/dbraw/zinc/50/10/27/201501027.db2.gz YYMRKUPBZVGCSY-VCHYOVAHSA-N 0 0 344.827 3.778 50 30 EHEARN CS(=O)(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000000470171 201477681 /nfs/dbraw/zinc/47/76/81/201477681.db2.gz XVFXCHDTXGLVPB-UHFFFAOYSA-N 0 0 334.400 3.691 50 30 aggregator EHEARN N#Cc1cccc(CNC(=O)C[C@@H](c2cccs2)n2cccc2)c1 ZINC000225581017 241934874 /nfs/dbraw/zinc/93/48/74/241934874.db2.gz VTEWTOYQZNGPLI-KRWDZBQOSA-N 0 0 335.432 3.717 50 30 EHEARN CO/N=C(/C[S@](=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000004060211 201587348 /nfs/dbraw/zinc/58/73/48/201587348.db2.gz DUYNFYDLMIOUNF-APQDCOLYSA-N 0 0 337.828 3.507 50 30 EHEARN CN(NC=CN=Nc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004300128 201596677 /nfs/dbraw/zinc/59/66/77/201596677.db2.gz NCLCEKPLMGFQLJ-BEQMOXJMSA-N 0 0 331.763 3.768 50 30 EHEARN COC(=O)CCc1sc(N=NC(C)C)nc1-c1ccc(OC)cc1 ZINC000004550857 201606001 /nfs/dbraw/zinc/60/60/01/201606001.db2.gz NVJFLIQMEKBKTK-UHFFFAOYSA-N 0 0 347.440 3.732 50 30 EHEARN COc1ccccc1NC(=S)NN=C1C2CC3CC(C2)CC1C3 ZINC000005119875 201639581 /nfs/dbraw/zinc/63/95/81/201639581.db2.gz WJWFKJTZRNCIPC-UHFFFAOYSA-N 0 0 329.469 3.794 50 30 EHEARN Cc1noc(-c2cccnc2N2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000242047902 243009173 /nfs/dbraw/zinc/00/91/73/243009173.db2.gz VQZRJSJMGYYMLY-UHFFFAOYSA-N 0 0 343.390 3.605 50 30 EHEARN N#C[C@H](NC(=O)c1ccc(-c2cnco2)cc1)c1ccc(F)cc1F ZINC000068402241 202963468 /nfs/dbraw/zinc/96/34/68/202963468.db2.gz MCGFHUPTZMACOV-INIZCTEOSA-N 0 0 339.301 3.614 50 30 EHEARN N#Cc1cccc(CS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000069901188 203062397 /nfs/dbraw/zinc/06/23/97/203062397.db2.gz YEKTYKSRSNSQDV-UHFFFAOYSA-N 0 0 339.338 3.692 50 30 EHEARN COc1cc(-c2cc(C3CCC3)nc(N)c2C#N)cc(Cl)c1O ZINC000071575894 203099862 /nfs/dbraw/zinc/09/98/62/203099862.db2.gz XJTVKCVFRLOWGC-UHFFFAOYSA-N 0 0 329.787 3.838 50 30 EHEARN N#CCC[C@@H](C#N)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071902817 203144153 /nfs/dbraw/zinc/14/41/53/203144153.db2.gz PTANEBZYOIMWSJ-BLLLJJGKSA-N 0 0 338.238 3.810 50 30 EHEARN Cc1occc1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000071894167 203140379 /nfs/dbraw/zinc/14/03/79/203140379.db2.gz MZVVMZGKCMKFNB-UHFFFAOYSA-N 0 0 333.347 3.577 50 30 EHEARN CCSCCn1ccc(-c2cccc(-c3nccnc3C#N)c2)n1 ZINC000020166749 212108089 /nfs/dbraw/zinc/10/80/89/212108089.db2.gz IYVCMURZPXPISR-UHFFFAOYSA-N 0 0 335.436 3.632 50 30 EHEARN Cc1noc(C)c1[C@@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000076062770 203334433 /nfs/dbraw/zinc/33/44/33/203334433.db2.gz ASVGVVMMAWIZQP-SECBINFHSA-N 0 0 337.339 3.793 50 30 EHEARN CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000077380325 203384971 /nfs/dbraw/zinc/38/49/71/203384971.db2.gz SUMSRESMQDDTKE-UHFFFAOYSA-N 0 0 333.395 3.553 50 30 EHEARN Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2ccccc2C#N)C1 ZINC000077487830 203391242 /nfs/dbraw/zinc/39/12/42/203391242.db2.gz KLWRPUGLZWXCLI-QGZVFWFLSA-N 0 0 334.419 3.798 50 30 EHEARN C#Cc1cccc(NC(=O)c2cc(Br)cnc2Cl)c1 ZINC000050044537 214041866 /nfs/dbraw/zinc/04/18/66/214041866.db2.gz PBUGKWTVUSISAE-UHFFFAOYSA-N 0 0 335.588 3.731 50 30 EHEARN N#CCCN(C(=O)CCC1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000133764695 205376760 /nfs/dbraw/zinc/37/67/60/205376760.db2.gz JURZUSJKGQQLNZ-UHFFFAOYSA-N 0 0 344.499 3.904 50 30 EHEARN CCC/C(=N/OCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000100691490 206254689 /nfs/dbraw/zinc/25/46/89/206254689.db2.gz NMHGOXYVOKDNHF-QXNBOFKWSA-N 0 0 327.490 3.875 50 30 EHEARN COc1ccccc1N=CC(=CNc1ccccc1OC)[N+](=O)[O-] ZINC000100716472 206254692 /nfs/dbraw/zinc/25/46/92/206254692.db2.gz XWGBSDHUNXYYCY-MDWFKHSNSA-N 0 0 327.340 3.636 50 30 EHEARN CCc1ccccc1/N=C1/c2c(cccc2[N+](=O)[O-])C(=O)[C@@H]1C(C)=O ZINC000101733410 206322762 /nfs/dbraw/zinc/32/27/62/206322762.db2.gz PAGUEJMIVOWZAG-IGGDJGDASA-N 0 0 336.347 3.680 50 30 EHEARN C=CCSC1=Nc2c(cnn2-c2ccc(C)cc2)C2=NCCCN12 ZINC000012391422 211366778 /nfs/dbraw/zinc/36/67/78/211366778.db2.gz GOPDJTOVGBGLKF-UHFFFAOYSA-N 0 0 337.452 3.553 50 30 EHEARN C=CCC1(CC=C)CCCN1C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012055513 211284387 /nfs/dbraw/zinc/28/43/87/211284387.db2.gz RLODQOOJGGBVAV-QGZVFWFLSA-N 0 0 344.499 3.681 50 30 EHEARN C=C(Cl)COC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000011006033 211199020 /nfs/dbraw/zinc/19/90/20/211199020.db2.gz XJMJOQPCSSEPAQ-UHFFFAOYSA-N 0 0 331.784 3.663 50 30 EHEARN C=C(C)COc1ccc2c(C)c(CCC(=O)NC(C)C)c(=O)oc2c1 ZINC000006623953 210664776 /nfs/dbraw/zinc/66/47/76/210664776.db2.gz FINKIKNRNHDWPM-UHFFFAOYSA-N 0 0 343.423 3.514 50 30 biogenic EHEARN C=C(C)COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000012379176 207129630 /nfs/dbraw/zinc/12/96/30/207129630.db2.gz QARQIRQOXIPKEM-UHFFFAOYSA-N 0 0 325.364 3.665 50 30 EHEARN CN(C(=O)c1cccc(-n2cccn2)c1)c1cc(Cl)ccc1C#N ZINC000176432926 207226163 /nfs/dbraw/zinc/22/61/63/207226163.db2.gz YKEBBHVQPHXELT-UHFFFAOYSA-N 0 0 336.782 3.674 50 30 EHEARN N#Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000012748360 207244705 /nfs/dbraw/zinc/24/47/05/207244705.db2.gz NLKLBSZEAMTELU-UHFFFAOYSA-N 0 0 325.418 3.924 50 30 EHEARN C=C[C@](C)(CC)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C ZINC000187874551 257953008 /nfs/dbraw/zinc/95/30/08/257953008.db2.gz BDZNTLFQGDBQOA-LJQANCHMSA-N 0 0 346.496 3.725 50 30 EHEARN N#CC1(c2ccccc2)CCN(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000426358660 257971528 /nfs/dbraw/zinc/97/15/28/257971528.db2.gz SGNQMVXJIJNPKR-HXUWFJFHSA-N 0 0 345.446 3.941 50 30 EHEARN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000266439374 257943551 /nfs/dbraw/zinc/94/35/51/257943551.db2.gz OTFXEUSTEDYQTD-OLZOCXBDSA-N 0 0 343.456 3.697 50 30 EHEARN CC(C)(C)c1ccc(C(=O)O/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000000083567 258047499 /nfs/dbraw/zinc/04/74/99/258047499.db2.gz ODRUJRGUCNDTGA-RGVLZGJSSA-N 0 0 325.364 3.904 50 30 EHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000013654047 258001584 /nfs/dbraw/zinc/00/15/84/258001584.db2.gz XKOSJFJKWPHNDE-NCUBORBFSA-N 0 0 338.359 3.633 50 30 EHEARN O=C(Cc1cccc(F)c1F)NCc1nccn1-c1ccccc1 ZINC000330032281 258002534 /nfs/dbraw/zinc/00/25/34/258002534.db2.gz LDLQUEJCCFXTAH-UHFFFAOYSA-N 0 0 327.334 3.850 50 30 EHEARN CC(C)C[C@H]1COCCN1C(=O)c1cccc(-c2cccnc2C#N)c1 ZINC000299793313 258098825 /nfs/dbraw/zinc/09/88/25/258098825.db2.gz IMODMMKHJFFUMM-SFHVURJKSA-N 0 0 349.434 3.507 50 30 EHEARN C[C@](C#N)(NC(=O)CNc1ccccc1Oc1ccccc1)C1CC1 ZINC000009313620 258053780 /nfs/dbraw/zinc/05/37/80/258053780.db2.gz JDVCLCVDPXXYLY-HXUWFJFHSA-N 0 0 335.407 3.699 50 30 EHEARN CCCCOc1ccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000009253615 258053914 /nfs/dbraw/zinc/05/39/14/258053914.db2.gz SFKCTTRQCVVVHR-IZZDOVSWSA-N 0 0 336.391 3.931 50 30 EHEARN COc1ccc(C(=O)O/N=C(\c2ccccc2)c2cccnc2)cc1 ZINC000012650619 258055172 /nfs/dbraw/zinc/05/51/72/258055172.db2.gz XXPNKFLOJSAJHQ-ZBJSNUHESA-N 0 0 332.359 3.700 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000069656882 258063621 /nfs/dbraw/zinc/06/36/21/258063621.db2.gz QQNCHVLWHUXHAY-SJORKVTESA-N 0 0 339.826 3.781 50 30 EHEARN Cc1[nH]c2ccc(C(=O)N(CCC#N)Cc3ccccn3)cc2c1C ZINC000069660179 258063770 /nfs/dbraw/zinc/06/37/70/258063770.db2.gz ALVVVLGTXJQKEV-UHFFFAOYSA-N 0 0 332.407 3.736 50 30 EHEARN Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC[C@H]1c1ccccn1 ZINC000072477967 258064585 /nfs/dbraw/zinc/06/45/85/258064585.db2.gz OHAWMDVHKMOSAI-FQEVSTJZSA-N 0 0 344.418 3.580 50 30 EHEARN Cc1ccccc1N1CCN(Cc2c(C#N)c3ccccc3n2C)CC1 ZINC000055174727 132194399 /nfs/dbraw/zinc/19/43/99/132194399.db2.gz SBGZZWLMTXYIMF-UHFFFAOYSA-N 0 0 344.462 3.681 50 30 aggregator EHEARN C#CCCCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000192082353 518246907 /nfs/dbraw/zinc/24/69/07/518246907.db2.gz LMENPKCQYLWKPT-UHFFFAOYSA-N 0 0 341.432 3.856 50 30 EHEARN C/C(=N\N[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000043761332 518463879 /nfs/dbraw/zinc/46/38/79/518463879.db2.gz VBJBEWQYQUYAPX-GNUZOCDUSA-N 0 0 339.395 3.822 50 30 EHEARN C=CC[C@H](CC)NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000252481896 519111677 /nfs/dbraw/zinc/11/16/77/519111677.db2.gz CUVXMAUUKGDXJX-HNNXBMFYSA-N 0 0 341.411 3.686 50 30 EHEARN C=CCc1cc(CN[C@@H](CC)c2ncnn2C)ccc1OC(C)C ZINC000055414393 519131547 /nfs/dbraw/zinc/13/15/47/519131547.db2.gz PHZOAITZNJBGCR-KRWDZBQOSA-N 0 0 328.460 3.572 50 30 EHEARN C=CCc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1O ZINC000000445771 519140763 /nfs/dbraw/zinc/14/07/63/519140763.db2.gz FSIACVLQEXVBQB-CJLVFECKSA-N 0 0 335.451 3.585 50 30 EHEARN C=CCc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000016903836 519141717 /nfs/dbraw/zinc/14/17/17/519141717.db2.gz LBTMEPMIXGWFRA-UHFFFAOYSA-N 0 0 339.351 3.787 50 30 EHEARN CCCCCCCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000097996164 520038077 /nfs/dbraw/zinc/03/80/77/520038077.db2.gz GFIUHHZLBQTLOX-UHFFFAOYSA-N 0 0 328.434 3.542 50 30 EHEARN CCN(C/C=C/c1ccccc1)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000055392847 520291494 /nfs/dbraw/zinc/29/14/94/520291494.db2.gz HUPHZQALWMOYPD-DHZHZOJOSA-N 0 0 347.458 3.985 50 30 EHEARN CCCc1c(C(=O)Nc2cccc3[nH]c(=O)[nH]c32)[nH]c(C)c1C(C)=O ZINC000328591913 521335816 /nfs/dbraw/zinc/33/58/16/521335816.db2.gz YWNILIGNBAVVGK-UHFFFAOYSA-N 0 0 340.383 3.696 50 30 EHEARN COc1cc(C(=O)O[C@@H](C)C#N)ccc1OCc1ccc(Cl)cc1 ZINC000003288338 522171992 /nfs/dbraw/zinc/17/19/92/522171992.db2.gz KBXWMIZDXKQPHH-LBPRGKRZSA-N 0 0 345.782 3.996 50 30 EHEARN COc1cc(C(=O)O[C@H](C)C#N)ccc1OCc1ccc(Cl)cc1 ZINC000003288340 522172414 /nfs/dbraw/zinc/17/24/14/522172414.db2.gz KBXWMIZDXKQPHH-GFCCVEGCSA-N 0 0 345.782 3.996 50 30 EHEARN CN(C)c1ccc(Cl)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000089326620 522217546 /nfs/dbraw/zinc/21/75/46/522217546.db2.gz UWKUZIWGHBMLII-UHFFFAOYSA-N 0 0 346.818 3.947 50 30 EHEARN COc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)cc1OC(F)F ZINC000096180054 523432803 /nfs/dbraw/zinc/43/28/03/523432803.db2.gz GITKRSIYJJNATI-ALCCZGGFSA-N 0 0 336.338 3.543 50 30 EHEARN CN(C(=O)CCc1ccc(OC(F)F)cc1)C1(C#N)CCCCC1 ZINC000095457284 523809166 /nfs/dbraw/zinc/80/91/66/523809166.db2.gz BJIMLNFTSNMVHH-UHFFFAOYSA-N 0 0 336.382 3.905 50 30 EHEARN COc1ccc(OC)c(CN=Nc2nc(-c3cccnc3)cs2)c1 ZINC000004746634 524803660 /nfs/dbraw/zinc/80/36/60/524803660.db2.gz OTLGHWCSUNTMQL-VXLYETTFSA-N 0 0 340.408 3.668 50 30 EHEARN Cc1nnc(NC(=O)CN2CCC(CCc3ccccc3)CC2)s1 ZINC000022982439 526323726 /nfs/dbraw/zinc/32/37/26/526323726.db2.gz NFIQSFMCYLCQQT-UHFFFAOYSA-N 0 0 344.484 3.779 50 30 EHEARN N#CCCN(C(=O)CSc1ncnc2ccccc21)c1ccccc1 ZINC000003263633 526452272 /nfs/dbraw/zinc/45/22/72/526452272.db2.gz VFPGYFJRAUWJCJ-UHFFFAOYSA-N 0 0 348.431 3.669 50 30 EHEARN CCc1ccc(NC(=O)c2ncccc2Br)c(C#N)c1 ZINC000225473673 536189772 /nfs/dbraw/zinc/18/97/72/536189772.db2.gz IMPICTIWEFAKMF-UHFFFAOYSA-N 0 0 330.185 3.530 50 30 EHEARN O=C(N[C@H]1CCOc2c(Br)cccc21)c1cccnc1 ZINC000328586659 564136485 /nfs/dbraw/zinc/13/64/85/564136485.db2.gz URDWHTLHQMPBMH-ZDUSSCGKSA-N 0 0 333.185 3.673 50 30 EHEARN FC(F)(F)c1ccccc1C=NN1C(=S)N=NC1c1cccnc1 ZINC000000028785 563211624 /nfs/dbraw/zinc/21/16/24/563211624.db2.gz QBBBFZNMAQVGRU-AWQFTUOYSA-N 0 0 349.341 3.530 50 30 EHEARN CC(C)Oc1ccccc1/C=C1\S/C(=N\c2nccs2)NC1=O ZINC000004739906 563509688 /nfs/dbraw/zinc/50/96/88/563509688.db2.gz ISWOWGFFSDDAJP-LCYFTJDESA-N 0 0 345.449 3.822 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccccc1Br ZINC000004851196 563513572 /nfs/dbraw/zinc/51/35/72/563513572.db2.gz UYGULCQHCWSHAM-NSHDSACASA-N 0 0 348.240 3.696 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@]1(c2ccc(F)cc2)CCO[C@](C)(CC)C1 ZINC000005068100 563520527 /nfs/dbraw/zinc/52/05/27/563520527.db2.gz ORZBLSWNBVOAST-QXAKKESOSA-N 0 0 333.403 3.745 50 30 EHEARN COC(=O)c1ccc(COc2ccc(/C=C/C(C)=N/O)cc2)cc1 ZINC000005067987 563520597 /nfs/dbraw/zinc/52/05/97/563520597.db2.gz VQCROBOGESLLFS-VBABQJHPSA-N 0 0 325.364 3.916 50 30 EHEARN CCN(/N=C/c1cccc([N+](=O)[O-])c1)c1cc(C)c(C#N)c(Cl)n1 ZINC000012411821 563660459 /nfs/dbraw/zinc/66/04/59/563660459.db2.gz ARYDISSUGKOFOI-VXLYETTFSA-N 0 0 343.774 3.684 50 30 EHEARN COc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2)cc1 ZINC000012467767 563661432 /nfs/dbraw/zinc/66/14/32/563661432.db2.gz JQFPLWBNBKWJKW-ULKOKDFMSA-N 0 0 336.420 3.790 50 30 EHEARN N#C[C@H](NC(=O)CCc1nccs1)c1cccc(Cl)c1Cl ZINC000066392022 563722930 /nfs/dbraw/zinc/72/29/30/563722930.db2.gz DCHRPIUSDMDOPQ-NSHDSACASA-N 0 0 340.235 3.764 50 30 EHEARN CCOc1cc(C#N)ccc1OCc1nc(-c2cccs2)no1 ZINC000004487288 563729903 /nfs/dbraw/zinc/72/99/03/563729903.db2.gz QLYXFQCUQVIHHO-UHFFFAOYSA-N 0 0 327.365 3.647 50 30 EHEARN O=C(Nc1sc2c(c1/C=N/CCCO)CCCC2)c1ccccc1 ZINC000013941950 563731801 /nfs/dbraw/zinc/73/18/01/563731801.db2.gz QBAITFSSSZCGAH-DEDYPNTBSA-N 0 0 342.464 3.681 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000016750859 563822639 /nfs/dbraw/zinc/82/26/39/563822639.db2.gz PGOKHFJHNKPDQP-HNNXBMFYSA-N 0 0 343.379 3.652 50 30 EHEARN CN(C)/C=N/c1ncc(C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000017820562 563845858 /nfs/dbraw/zinc/84/58/58/563845858.db2.gz FEZCRMMCFALDNJ-REZTVBANSA-N 0 0 328.224 3.902 50 30 EHEARN N#Cc1cc(F)c(NCc2cccnc2OCC(F)(F)F)c(F)c1 ZINC000060320138 563925976 /nfs/dbraw/zinc/92/59/76/563925976.db2.gz OVOHYSBWFZYKCC-UHFFFAOYSA-N 0 0 343.255 3.785 50 30 EHEARN CC(=O)N(C)c1nc(/C=C2/Cc3c(cccc3Cl)C2=O)cs1 ZINC000058244658 563940549 /nfs/dbraw/zinc/94/05/49/563940549.db2.gz QHMVHJGGJIRBCB-POHAHGRESA-N 0 0 332.812 3.602 50 30 EHEARN Cc1nc(C)c(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)s1 ZINC000096433987 563952919 /nfs/dbraw/zinc/95/29/19/563952919.db2.gz RMFJFPHOATUFMQ-UHFFFAOYSA-N 0 0 328.441 3.883 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000022420154 563967369 /nfs/dbraw/zinc/96/73/69/563967369.db2.gz HQRNIECKIFEESM-UHFFFAOYSA-N 0 0 345.362 3.636 50 30 EHEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(C(=O)OCC)cc2c1=O ZINC000008578509 563974268 /nfs/dbraw/zinc/97/42/68/563974268.db2.gz BVTLMIKXUVJDSX-UHFFFAOYSA-N 0 0 340.423 3.600 50 30 EHEARN CC(NCCc1c[nH]c2ccccc12)=C1C(=O)c2ccccc2C1=O ZINC000100004415 563982272 /nfs/dbraw/zinc/98/22/72/563982272.db2.gz MITKBTGQXPVUEF-UHFFFAOYSA-N 0 0 330.387 3.653 50 30 EHEARN COc1cc(/C=C2/CCc3ccccc3C2=O)c([N+](=O)[O-])cc1OC ZINC000033474191 563992219 /nfs/dbraw/zinc/99/22/19/563992219.db2.gz IMBGCXLANNXTKH-LCYFTJDESA-N 0 0 339.347 3.825 50 30 EHEARN C/C=C(/C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000005132553 563994527 /nfs/dbraw/zinc/99/45/27/563994527.db2.gz YMWBTMBPEHUMBA-GULXXORSSA-N 0 0 334.456 3.587 50 30 EHEARN CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000024211288 563997995 /nfs/dbraw/zinc/99/79/95/563997995.db2.gz CANZKYJXWCUJQW-UHFFFAOYSA-N 0 0 338.367 3.673 50 30 EHEARN O=C1C(Cl)=CC(=NSc2ccc([N+](=O)[O-])cc2)C=C1Cl ZINC000003095891 564004168 /nfs/dbraw/zinc/00/41/68/564004168.db2.gz KCYRBDUWFUKGCD-UHFFFAOYSA-N 0 0 329.164 3.871 50 30 EHEARN O=C1ON=C(Cc2ccccc2)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000017967519 564013461 /nfs/dbraw/zinc/01/34/61/564013461.db2.gz JTKCJEZZVURAFA-RGEXLXHISA-N 0 0 332.403 3.826 50 30 EHEARN O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1ccc(Cl)cc1 ZINC000018208977 564018860 /nfs/dbraw/zinc/01/88/60/564018860.db2.gz VROREXPZZUZUQG-BKQORJHRSA-N 0 0 343.839 3.504 50 30 EHEARN Cc1nc2c3ccccc3[nH]c2c(=O)n1/N=C/c1c[nH]c2ccccc12 ZINC000000500182 564018964 /nfs/dbraw/zinc/01/89/64/564018964.db2.gz JYKBKKGNLCNXNN-SSDVNMTOSA-N 0 0 341.374 3.550 50 30 EHEARN CC/N=C1\S/C(=C/c2cn(CC)c3ccccc23)C(=O)N1CC ZINC000101512292 564019465 /nfs/dbraw/zinc/01/94/65/564019465.db2.gz ORGAEAUNIOWANL-BDYZYUDZSA-N 0 0 327.453 3.973 50 30 EHEARN CC[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000102026859 564019854 /nfs/dbraw/zinc/01/98/54/564019854.db2.gz JUPRPCIZFPLYQG-SKDRFNHKSA-N 0 0 326.368 3.695 50 30 EHEARN Cc1sc2nc(SCc3ccc(C#N)cc3)n(C)c(=O)c2c1C ZINC000000526426 564021217 /nfs/dbraw/zinc/02/12/17/564021217.db2.gz XSAYGOJJYPGEEL-UHFFFAOYSA-N 0 0 341.461 3.776 50 30 EHEARN C=CCn1c2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2oc1=O ZINC000046010619 564029159 /nfs/dbraw/zinc/02/91/59/564029159.db2.gz MZEYHZYZSAFONQ-UHFFFAOYSA-N 0 0 341.342 3.872 50 30 EHEARN N#Cc1ccsc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000048280113 564030629 /nfs/dbraw/zinc/03/06/29/564030629.db2.gz OHVXDGNORMKNJV-UHFFFAOYSA-N 0 0 341.367 3.985 50 30 EHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(F)c2)NC(=O)N1 ZINC000005787915 564052119 /nfs/dbraw/zinc/05/21/19/564052119.db2.gz BIGADVLLPZSLNZ-INIZCTEOSA-N 0 0 344.773 3.990 50 30 EHEARN CCc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)sc1C ZINC000005788961 564052160 /nfs/dbraw/zinc/05/21/60/564052160.db2.gz QAMHWIRXVJMMGF-NSHDSACASA-N 0 0 342.420 3.675 50 30 EHEARN COc1ccc(-c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc1OC ZINC000001050002 564054211 /nfs/dbraw/zinc/05/42/11/564054211.db2.gz OZGIMUSAQPATST-STQMWFEESA-N 0 0 341.411 3.713 50 30 EHEARN C#CC[C@@H](CC(F)(F)F)NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000521394788 564056178 /nfs/dbraw/zinc/05/61/78/564056178.db2.gz DOIJTIRJTWCNHI-NSHDSACASA-N 0 0 342.748 3.824 50 30 EHEARN COc1ccc(/N=C2\NN=C(c3ccc(F)cc3)CS2)cc1OC ZINC000005859479 564056673 /nfs/dbraw/zinc/05/66/73/564056673.db2.gz KBEYQNHRNPNGTR-UHFFFAOYSA-N 0 0 345.399 3.571 50 30 EHEARN C[C@H]1CCN(C(=O)COc2ccc(C#N)cc2)c2ccccc2S1 ZINC000005868169 564056766 /nfs/dbraw/zinc/05/67/66/564056766.db2.gz YGRPIGKEIXHYMQ-AWEZNQCLSA-N 0 0 338.432 3.855 50 30 EHEARN N#CC1(NC(=O)CSc2nc(-c3ccccc3)cs2)CCCC1 ZINC000005972010 564057407 /nfs/dbraw/zinc/05/74/07/564057407.db2.gz COXICQLCXBQUJU-UHFFFAOYSA-N 0 0 343.477 3.855 50 30 EHEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccccc2)S1)c1ccc(C)cc1 ZINC000001220135 564057992 /nfs/dbraw/zinc/05/79/92/564057992.db2.gz ZRIAOIYEYUFHNE-AQRZYSDFSA-N 0 0 337.448 3.549 50 30 EHEARN CCCCN1C(N)=C(c2nc3ccccc3[nH]2)C(=O)[C@H]1c1ccccc1 ZINC000012560409 564059578 /nfs/dbraw/zinc/05/95/78/564059578.db2.gz MBSXQUTYBAPVGW-GOSISDBHSA-N 0 0 346.434 3.616 50 30 EHEARN C=CCn1cc(-c2cc(-c3cc(F)cc(F)c3)nc(N)c2C#N)cn1 ZINC000071753061 564063787 /nfs/dbraw/zinc/06/37/87/564063787.db2.gz DPZGSKREYKFSOJ-UHFFFAOYSA-N 0 0 337.333 3.530 50 30 EHEARN Cc1cc(C)c(CN2c3cc(C#N)ccc3N3CCC[C@@H]3C2=O)c(C)c1 ZINC000001386697 564063949 /nfs/dbraw/zinc/06/39/49/564063949.db2.gz FCOQNCDLWAQCSS-HXUWFJFHSA-N 0 0 345.446 3.999 50 30 EHEARN COC(=O)N1CCC(=NN=C2c3ccccc3-c3ccccc32)CC1 ZINC000083891333 564064334 /nfs/dbraw/zinc/06/43/34/564064334.db2.gz IXPGDZWHWATJQR-UHFFFAOYSA-N 0 0 333.391 3.723 50 30 EHEARN C=CCN(CC(F)(F)F)C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000058364008 564065256 /nfs/dbraw/zinc/06/52/56/564065256.db2.gz WQYQKRRHEKYDPW-UHFFFAOYSA-N 0 0 341.308 3.510 50 30 EHEARN Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000058426954 564065315 /nfs/dbraw/zinc/06/53/15/564065315.db2.gz PPWXWVMKVYANAH-AWEZNQCLSA-N 0 0 345.402 3.828 50 30 EHEARN Cc1cc(C(=O)CCC(=O)OCc2cccc(C#N)c2)c(C)s1 ZINC000012818348 564073224 /nfs/dbraw/zinc/07/32/24/564073224.db2.gz QYXHTEKGJWXQPI-UHFFFAOYSA-N 0 0 327.405 3.943 50 30 EHEARN N#Cc1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CCC2 ZINC000001465700 564073273 /nfs/dbraw/zinc/07/32/73/564073273.db2.gz JTRUOKFCENZEJP-UHFFFAOYSA-N 0 0 334.347 3.962 50 30 EHEARN O=C(NCC#CCOc1cccc(C(F)(F)F)c1)[C@@H]1CC=CCC1 ZINC000085474092 564073542 /nfs/dbraw/zinc/07/35/42/564073542.db2.gz FJIZGRHPBXPUAL-CQSZACIVSA-N 0 0 337.341 3.560 50 30 EHEARN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1O ZINC000013881315 564074009 /nfs/dbraw/zinc/07/40/09/564074009.db2.gz ZMJGLDATIBFWNJ-GXDHUFHOSA-N 0 0 333.409 3.576 50 30 EHEARN C=CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C)cc1 ZINC000016750387 564074467 /nfs/dbraw/zinc/07/44/67/564074467.db2.gz MYJZLMQCKXJVQS-HXUWFJFHSA-N 0 0 345.402 3.822 50 30 EHEARN C=CCn1c([C@@H](NC(=O)c2cccc(C)c2)C(C)C)n[nH]c1=S ZINC000000366583 564074567 /nfs/dbraw/zinc/07/45/67/564074567.db2.gz RXOZSALAHQKYOI-AWEZNQCLSA-N 0 0 330.457 3.562 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(C#N)c1 ZINC000012896552 564077652 /nfs/dbraw/zinc/07/76/52/564077652.db2.gz NNBSYEZWATWGAO-UHFFFAOYSA-N 0 0 344.418 3.633 50 30 EHEARN Cc1cc(Br)ccc1NC(=O)COc1cccc(C#N)c1 ZINC000012905146 564077745 /nfs/dbraw/zinc/07/77/45/564077745.db2.gz WYXJTQSUPVUCAD-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN C=CCC[C@H]([C@@H](O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000075259740 564081253 /nfs/dbraw/zinc/08/12/53/564081253.db2.gz LEDVMICFVIMRJJ-MOPGFXCFSA-N 0 0 330.449 3.837 50 30 EHEARN N#Cc1ccc(OCC(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000006217019 564082999 /nfs/dbraw/zinc/08/29/99/564082999.db2.gz PGGLREPGQFBMHM-UHFFFAOYSA-N 0 0 341.417 3.761 50 30 EHEARN COc1cc2c(cc1OC)[C@@H]1CC[C@@]3(C)/C(=N/O)CCC[C@@H]3[N@@H+]1CC2 ZINC000102197882 564083207 /nfs/dbraw/zinc/08/32/07/564083207.db2.gz NBJFREIVHGTJGX-JKTFSYRSSA-N 0 0 344.455 3.786 50 30 EHEARN Oc1ccc2ccccc2c1C=NN1CCN(Cc2ccccc2)CC1 ZINC000245231487 564088619 /nfs/dbraw/zinc/08/86/19/564088619.db2.gz DPHIYJOMKUPDTA-UHFFFAOYSA-N 0 0 345.446 3.697 50 30 EHEARN Cc1ccc2[nH]c(SCC(=O)Nc3sccc3C#N)nc2c1 ZINC000006506568 564091093 /nfs/dbraw/zinc/09/10/93/564091093.db2.gz WKTCOPBPKIHXHB-UHFFFAOYSA-N 0 0 328.422 3.535 50 30 EHEARN CCn1ncc(C(=O)/C=C/c2cc(Br)ccc2O)c1C ZINC000006556028 564092001 /nfs/dbraw/zinc/09/20/01/564092001.db2.gz ZYCDFEMSHCWATA-GQCTYLIASA-N 0 0 335.201 3.576 50 30 EHEARN CC(C)(C)c1ccc(C=NN2C(=S)N=NC2c2ccccn2)cc1 ZINC000005817198 564093316 /nfs/dbraw/zinc/09/33/16/564093316.db2.gz CUPGKGBOCDGRNN-UDWIEESQSA-N 0 0 337.452 3.809 50 30 EHEARN C/C=C(/C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@](O)(C(C)C)[C@H]12 ZINC000006780572 564097599 /nfs/dbraw/zinc/09/75/99/564097599.db2.gz YMWBTMBPEHUMBA-XCELDRSPSA-N 0 0 334.456 3.587 50 30 EHEARN CC1(C)CC(=O)C(=CNN=C(c2ccccc2)c2ccccc2)C(=O)C1 ZINC000006787251 564097757 /nfs/dbraw/zinc/09/77/57/564097757.db2.gz JCGLGYINOXHPEE-UHFFFAOYSA-N 0 0 346.430 3.871 50 30 EHEARN CCN(CC)C(=O)[C@H](Oc1ccc(C#N)cc1OC)c1ccccc1 ZINC000007186827 564105609 /nfs/dbraw/zinc/10/56/09/564105609.db2.gz CBJKIHGHWMGPKF-LJQANCHMSA-N 0 0 338.407 3.555 50 30 EHEARN COC(=O)c1ccc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)o1 ZINC000065487526 564106321 /nfs/dbraw/zinc/10/63/21/564106321.db2.gz ZFESXYXKOQGMGA-CSKARUKUSA-N 0 0 339.322 3.899 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)Nc1cc(-c2ccccc2)on1 ZINC000089851127 564114362 /nfs/dbraw/zinc/11/43/62/564114362.db2.gz JUNOLBITIOYIBC-UHFFFAOYSA-N 0 0 347.378 3.684 50 30 EHEARN COc1ccc(C2N=NC(=S)N2N=Cc2cccc(Cl)c2)cc1 ZINC000252429370 564118386 /nfs/dbraw/zinc/11/83/86/564118386.db2.gz HXKUZVKLHRESLR-UHFFFAOYSA-N 0 0 344.827 3.778 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1C ZINC000193191722 564118804 /nfs/dbraw/zinc/11/88/04/564118804.db2.gz XJVHSJYNHGTMEY-CABCVRRESA-N 0 0 335.473 3.641 50 30 EHEARN Cc1oc(C#N)cc1C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000252498756 564119725 /nfs/dbraw/zinc/11/97/25/564119725.db2.gz RKKWWCVWAJEILV-UHFFFAOYSA-N 0 0 326.743 3.551 50 30 EHEARN N#Cc1cc(NC(=O)CCc2c[nH]cn2)ccc1Oc1ccccc1 ZINC000194034631 564120392 /nfs/dbraw/zinc/12/03/92/564120392.db2.gz DNESNNYWSYJDEK-UHFFFAOYSA-N 0 0 332.363 3.645 50 30 EHEARN N#Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000002181492 564120652 /nfs/dbraw/zinc/12/06/52/564120652.db2.gz YLHRUFFFHQAUSG-UHFFFAOYSA-N 0 0 346.390 3.568 50 30 EHEARN COc1ccccc1CN=Nc1nc(-c2cccc(O)c2)cs1 ZINC000252604674 564121238 /nfs/dbraw/zinc/12/12/38/564121238.db2.gz GCRVQTBENQCCKF-UHFFFAOYSA-N 0 0 325.393 3.970 50 30 EHEARN Cc1sc2nc(C)n(N=Cc3ccccc3Cl)c(=O)c2c1C ZINC000252604873 564121257 /nfs/dbraw/zinc/12/12/57/564121257.db2.gz GESRNZGYGJUASQ-UHFFFAOYSA-N 0 0 331.828 3.919 50 30 EHEARN COc1ccc(/C=C2\COc3ccccc3C2=O)cc1OC(F)F ZINC000007747252 564122619 /nfs/dbraw/zinc/12/26/19/564122619.db2.gz QUCSHNWKIPZNRI-XYOKQWHBSA-N 0 0 332.302 3.955 50 30 EHEARN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1ccccn1 ZINC000066230667 564125448 /nfs/dbraw/zinc/12/54/48/564125448.db2.gz TVEQLOTWBPBBQN-NEPJUHHUSA-N 0 0 334.297 3.744 50 30 EHEARN CS[C@H]1CCCC[C@]1(O)CSc1nc2c(cc1C#N)CCCC2 ZINC000000034229 564132706 /nfs/dbraw/zinc/13/27/06/564132706.db2.gz SNDMFDJNRHSDPA-WMZOPIPTSA-N 0 0 348.537 3.961 50 30 EHEARN CCOC(=O)c1c(C)c(C#N)c(-n2cccc2)n1-c1ccc(C)cc1 ZINC000000132315 564132885 /nfs/dbraw/zinc/13/28/85/564132885.db2.gz HOVRHIAAKKIIJX-UHFFFAOYSA-N 0 0 333.391 3.933 50 30 EHEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(N)=O ZINC000000333677 564133103 /nfs/dbraw/zinc/13/31/03/564133103.db2.gz JLEZQHQWWURORU-UHFFFAOYSA-N 0 0 345.427 3.865 50 30 EHEARN Cc1ccc(-n2ccnc2)c(C(=O)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000328728207 564137224 /nfs/dbraw/zinc/13/72/24/564137224.db2.gz DRNWAFFPFJKBLA-INIZCTEOSA-N 0 0 338.411 3.527 50 30 EHEARN Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3ccccn3)c2)cn1 ZINC000079350709 564138144 /nfs/dbraw/zinc/13/81/44/564138144.db2.gz MLZLBOJVHGWRLN-IBGZPJMESA-N 0 0 343.386 3.854 50 30 EHEARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2C#N)C1 ZINC000095360510 564139251 /nfs/dbraw/zinc/13/92/51/564139251.db2.gz RRBPCKNHBWWWCN-QGZVFWFLSA-N 0 0 336.439 3.575 50 30 EHEARN O=C(/C=C\c1cc(F)ccc1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000096265925 564146226 /nfs/dbraw/zinc/14/62/26/564146226.db2.gz BECITVUEIXFSCC-BAQGIRSFSA-N 0 0 343.373 3.822 50 30 EHEARN N#C[C@]1(NC(=O)c2cccc(OC3CCCCC3)c2)CCSC1 ZINC000096414370 564147687 /nfs/dbraw/zinc/14/76/87/564147687.db2.gz USTAAJHNZYIPLM-GOSISDBHSA-N 0 0 330.453 3.527 50 30 EHEARN Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3ccc(F)cn3)cc2)n1 ZINC000096446490 564148250 /nfs/dbraw/zinc/14/82/50/564148250.db2.gz RDHRCVYPELAZIB-KRWDZBQOSA-N 0 0 334.354 3.513 50 30 EHEARN CCOc1ccc2c(c1)/C(=N\N=C1/C[C@@H](c3ccccc3)N=N1)C(=O)N2 ZINC000004184921 564161050 /nfs/dbraw/zinc/16/10/50/564161050.db2.gz BVPOIRIJWPPQCZ-RNWAHURQSA-N 0 0 347.378 3.737 50 30 EHEARN N#C[C@@H](NC(=O)c1ccoc1)c1ccc(OCc2ccccc2)cc1 ZINC000068343631 564167555 /nfs/dbraw/zinc/16/75/55/564167555.db2.gz WLZQURQICXVAHY-LJQANCHMSA-N 0 0 332.359 3.853 50 30 EHEARN CC(C)[C@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000068875370 564167779 /nfs/dbraw/zinc/16/77/79/564167779.db2.gz GZZHWRCZCREWOB-HNNXBMFYSA-N 0 0 328.865 3.650 50 30 EHEARN O=C1N/C(=N/c2cccc(O)c2)S/C1=C\c1ccc(Cl)cc1 ZINC000009332387 564172732 /nfs/dbraw/zinc/17/27/32/564172732.db2.gz FDYVNKDLBNEGCO-ZSOIEALJSA-N 0 0 330.796 3.937 50 30 EHEARN CCc1oc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(Cl)c2)cc1C ZINC000101652889 568417296 /nfs/dbraw/zinc/41/72/96/568417296.db2.gz QBJBMRFIUBVBNS-CYBMUJFWSA-N 0 0 330.771 3.765 50 30 EHEARN CC(C)[C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1 ZINC000328684135 1018364949 /nfs/dbraw/zinc/36/49/49/1018364949.db2.gz DWGLMYOYBYOQNK-GBESFXJTSA-N 0 0 345.483 3.950 50 30 EHEARN COc1ccccc1/C=C\C=NN1CCN(Cc2ccccc2)CC1 ZINC000254463869 1018774859 /nfs/dbraw/zinc/77/48/59/1018774859.db2.gz SXOUUKQWOKMHEP-HGYZZIEJSA-N 0 0 335.451 3.512 50 30 EHEARN C[C@@H]1c2ccccc2CN1C(=O)NCc1cccc2c1OCCCO2 ZINC000329321087 1025754900 /nfs/dbraw/zinc/75/49/00/1025754900.db2.gz GNLCMGBXTZRPQB-CQSZACIVSA-N 0 0 338.407 3.839 50 30 EHEARN C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000002894562 1026879296 /nfs/dbraw/zinc/87/92/96/1026879296.db2.gz GURDOEIRRAAHBJ-ROUUACIJSA-N 0 0 334.419 3.663 50 30 EHEARN Cc1nc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)nn1C ZINC000329187888 1038017782 /nfs/dbraw/zinc/01/77/82/1038017782.db2.gz BIEYBIMISWTEIN-UHFFFAOYSA-N 0 0 347.463 3.807 50 30 EHEARN O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000096919812 1039474849 /nfs/dbraw/zinc/47/48/49/1039474849.db2.gz VLZHXMGIBZIESH-VURMDHGXSA-N 0 0 346.386 3.599 50 30 EHEARN COc1cc(C(=O)/C=C\c2cc(F)ccc2F)cc(OC)c1OC ZINC000097147196 1039754494 /nfs/dbraw/zinc/75/44/94/1039754494.db2.gz XCZZQASUVGSTLR-DAXSKMNVSA-N 0 0 334.318 3.887 50 30 EHEARN CC(=NNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000254582625 1040427517 /nfs/dbraw/zinc/42/75/17/1040427517.db2.gz YNAUYJICXVBSMW-UHFFFAOYSA-N 0 0 338.358 3.811 50 30 EHEARN C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000329841907 1040773461 /nfs/dbraw/zinc/77/34/61/1040773461.db2.gz KFKQYOLLTIXUCK-XJKSGUPXSA-N 0 0 328.416 3.665 50 30 EHEARN Cc1ccccc1C=NO[C@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000254622809 1040990029 /nfs/dbraw/zinc/99/00/29/1040990029.db2.gz FJDAJMZGRNVDMV-LLVKDONJSA-N 0 0 336.313 3.790 50 30 EHEARN Cc1nc(C(=O)Nc2ccc3c(c2)OCO3)c(Br)s1 ZINC000328592606 1043757957 /nfs/dbraw/zinc/75/79/57/1043757957.db2.gz NYSMZRSCRUVXTI-UHFFFAOYSA-N 0 0 341.186 3.579 50 30 EHEARN C=CCO/N=C(\CCC)[C@@H]1C(=O)CC(C)(C)[C@H](c2cc(C)no2)C1=O ZINC000220132459 1137021931 /nfs/dbraw/zinc/02/19/31/1137021931.db2.gz OQEPSMZDIMALMK-MCVCKHRISA-N 0 0 346.427 3.610 50 30 EHEARN N#Cc1cccc([C@@H]2CN(Cc3c(Cl)ccnc3Cl)CCO2)c1 ZINC000952995070 1137485764 /nfs/dbraw/zinc/48/57/64/1137485764.db2.gz CCNMQSPPURTKTF-INIZCTEOSA-N 0 0 348.233 3.834 50 30 EHEARN Cn1c2ccccc2sc1=NN=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000885842762 1138021855 /nfs/dbraw/zinc/02/18/55/1138021855.db2.gz JUFWHDGNWISKDL-TTXXCTBTSA-N 0 0 338.392 3.748 50 30 EHEARN CCCC/N=C1/SCC(c2ccc(NC(=O)C(C)C)cc2)=NN1C ZINC000104980969 1139284784 /nfs/dbraw/zinc/28/47/84/1139284784.db2.gz FZDPKEUAXYXGKB-VHEBQXMUSA-N 0 0 346.500 3.820 50 30 EHEARN C=CCCO[C@H](C)C(=O)N[C@H](CC)c1ccc(Br)cc1 ZINC000062580087 214723909 /nfs/dbraw/zinc/72/39/09/214723909.db2.gz YDOYXSYEMPERDY-IUODEOHRSA-N 0 0 340.261 3.998 50 30 EHEARN COc1ccc2c(c1)CC/C(=C/c1csc(-c3ncccn3)n1)C2=O ZINC000053105030 214164952 /nfs/dbraw/zinc/16/49/52/214164952.db2.gz CZWPSAMEHKRNCP-LCYFTJDESA-N 0 0 349.415 3.821 50 30 EHEARN C[C@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(Cl)cc2)C1=O ZINC000004575727 210224401 /nfs/dbraw/zinc/22/44/01/210224401.db2.gz URYRQHGVPAQERO-FILLTOLRSA-N 0 0 333.800 3.791 50 30 EHEARN Cc1ccc(-c2nc3ccccc3c3nnc(SCC#N)n32)cc1 ZINC000015868052 201967573 /nfs/dbraw/zinc/96/75/73/201967573.db2.gz BVEZSTVCLFVLHZ-UHFFFAOYSA-N 0 0 331.404 3.869 50 30 EHEARN N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(Cl)c1 ZINC000103504380 219309445 /nfs/dbraw/zinc/30/94/45/219309445.db2.gz IQYBOSCKGAPVMV-GFCCVEGCSA-N 0 0 333.174 3.955 50 30 EHEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc2ccccc2n1 ZINC000040012890 213250280 /nfs/dbraw/zinc/25/02/80/213250280.db2.gz DKXZYTXTMAPCNN-UHFFFAOYSA-N 0 0 347.374 3.523 50 30 EHEARN C=CCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000001137706 209713886 /nfs/dbraw/zinc/71/38/86/209713886.db2.gz WZPMAFMIXAIRIG-KBVGCWLLSA-N 0 0 329.446 3.781 50 30 EHEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000019879319 202025523 /nfs/dbraw/zinc/02/55/23/202025523.db2.gz IATKSYNVQJOVIS-LTGZKZEYSA-N 0 0 327.859 3.882 50 30 EHEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3c(C)noc3C)sc2C1 ZINC000020581445 202050140 /nfs/dbraw/zinc/05/01/40/202050140.db2.gz ALHWBKMBQOLLDT-NSHDSACASA-N 0 0 329.425 3.992 50 30 EHEARN CC(=O)c1ccc(SCC(=O)Nc2cccc(C#N)c2)c(F)c1 ZINC000024021801 202110621 /nfs/dbraw/zinc/11/06/21/202110621.db2.gz SXDVBHNBRZNEGE-UHFFFAOYSA-N 0 0 328.368 3.631 50 30 EHEARN N#CCC[C@H](C#N)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000024990185 202125181 /nfs/dbraw/zinc/12/51/81/202125181.db2.gz OUWAWEIYNQZYLO-OAHLLOKOSA-N 0 0 328.375 3.507 50 30 EHEARN N#Cc1c(NC(=O)[C@@H]2COc3ccccc3C2)sc2c1CCCC2 ZINC000028166619 202165609 /nfs/dbraw/zinc/16/56/09/202165609.db2.gz KBARYUQASUXSJV-ZDUSSCGKSA-N 0 0 338.432 3.688 50 30 EHEARN COC(=O)c1ccc([C@H](C)Sc2nc(C3CC3)nc(C)c2C#N)o1 ZINC000031851922 202211395 /nfs/dbraw/zinc/21/13/95/202211395.db2.gz UEQYEZZUDMEENR-JTQLQIEISA-N 0 0 343.408 3.767 50 30 EHEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)OC(C)C)n2)cc1 ZINC000033011124 202246955 /nfs/dbraw/zinc/24/69/55/202246955.db2.gz BWFQBJYNJCOPTC-UHFFFAOYSA-N 0 0 326.421 3.972 50 30 EHEARN CC[C@@H](C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000034769446 202276911 /nfs/dbraw/zinc/27/69/11/202276911.db2.gz VIZXVLZDRPTDQH-SNVBAGLBSA-N 0 0 347.871 3.774 50 30 EHEARN N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NCc1ccc(F)cc1 ZINC000035672436 202308435 /nfs/dbraw/zinc/30/84/35/202308435.db2.gz IVTNGWHTISWNKY-UHFFFAOYSA-N 0 0 338.298 3.873 50 30 EHEARN N#Cc1cccc(C(=O)NCC[C@@H](O)c2cccc3ccccc32)c1 ZINC000077116424 202383732 /nfs/dbraw/zinc/38/37/32/202383732.db2.gz AKAQLGSQVFCVJA-HXUWFJFHSA-N 0 0 330.387 3.565 50 30 EHEARN Cc1csc(N(C(=O)C[C@H]2CCCO2)c2ccc(C#N)cc2)n1 ZINC000078666446 202398660 /nfs/dbraw/zinc/39/86/60/202398660.db2.gz HNJQONZNFOCQHI-OAHLLOKOSA-N 0 0 327.409 3.557 50 30 EHEARN Cc1cc([O-])c(C[NH+]2CCCCC2)c2c1C(=O)/C(=C/c1ccco1)O2 ZINC000020589740 201369901 /nfs/dbraw/zinc/36/99/01/201369901.db2.gz VJVBHLFMVUHFPP-BOPFTXTBSA-N 0 0 339.391 3.896 50 30 biogenic EHEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020503386 201370237 /nfs/dbraw/zinc/37/02/37/201370237.db2.gz ROYOMSAHTGNDLS-FHNWIRHTSA-N 0 0 339.391 3.976 50 30 biogenic EHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(-n3ccnc3)cc2)cc1 ZINC000096297562 201375677 /nfs/dbraw/zinc/37/56/77/201375677.db2.gz QIYBPVRIFBTYJU-WCIBSUBMSA-N 0 0 331.375 3.727 50 30 EHEARN O=C1c2ccccc2SC/C1=C/c1ccc(-n2cncn2)c(F)c1 ZINC000096947678 201378495 /nfs/dbraw/zinc/37/84/95/201378495.db2.gz ADBWLPRHJWIITN-QPEQYQDCSA-N 0 0 337.379 3.778 50 30 EHEARN COc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000000099533 201434301 /nfs/dbraw/zinc/43/43/01/201434301.db2.gz QUEVENNDPKJAII-UHFFFAOYSA-N 0 0 341.436 3.618 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000000379114 201465951 /nfs/dbraw/zinc/46/59/51/201465951.db2.gz RYJDXMOENCDKLR-QGZVFWFLSA-N 0 0 349.361 3.567 50 30 EHEARN N#Cc1ccc2c(ccn2C(=O)c2cccc(Br)c2)c1 ZINC000227156697 242122995 /nfs/dbraw/zinc/12/29/95/242122995.db2.gz JMXBUMHRJBIJDO-UHFFFAOYSA-N 0 0 325.165 3.964 50 30 EHEARN CC(=O)Nc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@](C)(c1ccc(C#N)cc1)N2 ZINC000230044460 242224322 /nfs/dbraw/zinc/22/43/22/242224322.db2.gz BMIGNNXHCXWAGS-GIVPXCGWSA-N 0 0 347.418 3.935 50 30 EHEARN CC(C)c1ccc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)cc1 ZINC000021283839 212217517 /nfs/dbraw/zinc/21/75/17/212217517.db2.gz RWKIQYDFSWZCGF-OAQYLSRUSA-N 0 0 347.418 3.649 50 30 EHEARN COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)ccc1O ZINC000004473115 201601842 /nfs/dbraw/zinc/60/18/42/201601842.db2.gz RORJJIDQRPTJKK-MHWRWJLKSA-N 0 0 340.404 3.601 50 30 EHEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000004488859 201602902 /nfs/dbraw/zinc/60/29/02/201602902.db2.gz FXJDXNRQVKCUJR-LBPRGKRZSA-N 0 0 347.842 3.985 50 30 EHEARN COc1ccccc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000005911556 201667352 /nfs/dbraw/zinc/66/73/52/201667352.db2.gz WFPHWVQRJYODIZ-VCHYOVAHSA-N 0 0 344.827 3.778 50 30 EHEARN N#Cc1cc(NC(=O)c2ccccc2)c(=O)n2c3ccccc3sc12 ZINC000006095800 201673637 /nfs/dbraw/zinc/67/36/37/201673637.db2.gz KAXHLAWYOJLEFP-UHFFFAOYSA-N 0 0 345.383 3.638 50 30 EHEARN Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000253430199 243979482 /nfs/dbraw/zinc/97/94/82/243979482.db2.gz XFWXMIXVEKNLBH-LLVKDONJSA-N 0 0 342.468 3.709 50 30 EHEARN C[C@H](Nc1snc(Cl)c1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000070040629 203072445 /nfs/dbraw/zinc/07/24/45/203072445.db2.gz RFMJIBBIRUSCEE-VIFPVBQESA-N 0 0 348.815 3.798 50 30 EHEARN COC(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000071769409 203112109 /nfs/dbraw/zinc/11/21/09/203112109.db2.gz ROXJUMSSBTZRCS-AZUAARDMSA-N 0 0 338.359 3.833 50 30 EHEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1cccc(OC(F)F)c1 ZINC000071753037 203108331 /nfs/dbraw/zinc/10/83/31/203108331.db2.gz FIZRPNQMKKWXOC-UHFFFAOYSA-N 0 0 326.306 3.799 50 30 EHEARN O=C1C(c2ccccc2)=C(c2ccccc2)O[C@]1(O)c1ccccc1 ZINC000071769320 203111579 /nfs/dbraw/zinc/11/15/79/203111579.db2.gz JJHASXSPKXBWEJ-JOCHJYFZSA-N 0 0 328.367 4.000 50 30 EHEARN C=CCN1CCN(C(=O)c2sc3cc(C)ccc3c2Cl)CC1 ZINC000020407786 212125543 /nfs/dbraw/zinc/12/55/43/212125543.db2.gz CUZQHDIUMCRHPA-UHFFFAOYSA-N 0 0 334.872 3.807 50 30 EHEARN N#CC1(C#N)CC(C#N)(C#N)[C@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000020065059 212098553 /nfs/dbraw/zinc/09/85/53/212098553.db2.gz ZCUVVJYOCRNUHD-OALUTQOASA-N 0 0 337.386 3.529 50 30 EHEARN C=CCN(CC=C)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000069776580 203323997 /nfs/dbraw/zinc/32/39/97/203323997.db2.gz ZLLKPDIPYNIPFR-SFHVURJKSA-N 0 0 325.387 3.694 50 30 EHEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc32)CCCC1=O ZINC000100139594 203990617 /nfs/dbraw/zinc/99/06/17/203990617.db2.gz KFPPDXOQNIMFNZ-UHFFFAOYSA-N 0 0 338.451 3.985 50 30 EHEARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C#N)cc1 ZINC000000190401 205418706 /nfs/dbraw/zinc/41/87/06/205418706.db2.gz LJSRUPKCEMWSAK-UHFFFAOYSA-N 0 0 336.372 3.812 50 30 EHEARN N#C[C@@H](C(=O)Nc1cccnc1)c1nc2cc(Cl)ccc2s1 ZINC000161423271 206347508 /nfs/dbraw/zinc/34/75/08/206347508.db2.gz PLHJCIZLKKOMCK-NSHDSACASA-N 0 0 328.784 3.591 50 30 EHEARN Cc1ccc(N[C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)cc1C ZINC000011821663 211252532 /nfs/dbraw/zinc/25/25/32/211252532.db2.gz LDTVVHINXIKGOL-NRFANRHFSA-N 0 0 332.447 3.758 50 30 EHEARN CSc1ccc(C#N)cc1NC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000095399552 218332784 /nfs/dbraw/zinc/33/27/84/218332784.db2.gz AFTXJMLZHCYZPZ-JTQLQIEISA-N 0 0 344.440 3.638 50 30 EHEARN C=CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 ZINC000006649717 210669801 /nfs/dbraw/zinc/66/98/01/210669801.db2.gz HRQCUFZVZYKYJX-UHFFFAOYSA-N 0 0 343.408 3.763 50 30 EHEARN C#CCOc1ccc(N(C)C(=O)c2cnc(-c3ccoc3)s2)cc1 ZINC000096416461 218777592 /nfs/dbraw/zinc/77/75/92/218777592.db2.gz LLGKPHKKEZIAOV-UHFFFAOYSA-N 0 0 338.388 3.692 50 30 EHEARN N#Cc1ccccc1/C=C\C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000096940894 218904789 /nfs/dbraw/zinc/90/47/89/218904789.db2.gz IBPNAANPKPLVDL-KTKRTIGZSA-N 0 0 327.387 3.638 50 30 EHEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O ZINC000004943154 210333746 /nfs/dbraw/zinc/33/37/46/210333746.db2.gz CMGJYRSVFRAOEU-MRXNPFEDSA-N 0 0 349.409 3.726 50 30 EHEARN N#Cc1cccc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)n1 ZINC000181146910 257953261 /nfs/dbraw/zinc/95/32/61/257953261.db2.gz CIANWXDBTUAPCE-HNNXBMFYSA-N 0 0 333.313 3.550 50 30 EHEARN C=CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000328598559 258041805 /nfs/dbraw/zinc/04/18/05/258041805.db2.gz NBEOELVLTMRCOC-UHFFFAOYSA-N 0 0 339.370 3.554 50 30 EHEARN CNC(=O)c1cc2cc(NC(=O)N(C)Cc3ccc(C)o3)ccc2[nH]1 ZINC000330032924 258002306 /nfs/dbraw/zinc/00/23/06/258002306.db2.gz UXQOBZFOOKMNTG-UHFFFAOYSA-N 0 0 340.383 3.668 50 30 EHEARN C#CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000065408402 258012122 /nfs/dbraw/zinc/01/21/22/258012122.db2.gz RYPDAGMSOWOPHX-UHFFFAOYSA-N 0 0 346.430 3.701 50 30 EHEARN CC(C)(C)c1cc(C(=O)C(C#N)=NNc2ccc(Cl)cc2)no1 ZINC000000122882 258047174 /nfs/dbraw/zinc/04/71/74/258047174.db2.gz FVOOXEZIGUERJS-DEDYPNTBSA-N 0 0 330.775 3.800 50 30 EHEARN CCOc1cc(CN=Nc2nnc(Cl)c3ccccc32)ccc1O ZINC000017160336 258056735 /nfs/dbraw/zinc/05/67/35/258056735.db2.gz PJPZBEWRRWJGTN-VXLYETTFSA-N 0 0 342.786 3.834 50 30 EHEARN C[C@H](NC(=O)c1cccc(CC#N)c1)c1nc(-c2cccnc2)cs1 ZINC000071896424 258064155 /nfs/dbraw/zinc/06/41/55/258064155.db2.gz QRTYLWFUGBBRQO-ZDUSSCGKSA-N 0 0 348.431 3.762 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257346058 258073414 /nfs/dbraw/zinc/07/34/14/258073414.db2.gz PWCLWZOSAFOXFL-GGGZUALOSA-N 0 0 330.468 3.694 50 30 EHEARN C=C(C)COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC ZINC000000483774 518612671 /nfs/dbraw/zinc/61/26/71/518612671.db2.gz NRPRQLFBEODUOI-BOPFTXTBSA-N 0 0 349.386 3.995 50 30 EHEARN C=C(Cl)COC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000022987783 518650762 /nfs/dbraw/zinc/65/07/62/518650762.db2.gz KOWQBASCDNOSBJ-UHFFFAOYSA-N 0 0 347.893 3.671 50 30 EHEARN C=CCCC(=O)N1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC000252505027 518694726 /nfs/dbraw/zinc/69/47/26/518694726.db2.gz IGRYUUATXRLVBY-ZBRFXRBCSA-N 0 0 334.504 3.663 50 30 EHEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccn1 ZINC000000532726 519238740 /nfs/dbraw/zinc/23/87/40/519238740.db2.gz IGQCBPAVJCDVGM-UHFFFAOYSA-N 0 0 333.420 3.690 50 30 EHEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1 ZINC000000525636 519240110 /nfs/dbraw/zinc/24/01/10/519240110.db2.gz VSHZGMWMCDRPFX-UHFFFAOYSA-N 0 0 326.400 3.958 50 30 EHEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)NCc1ccco1 ZINC000036396261 519268961 /nfs/dbraw/zinc/26/89/61/519268961.db2.gz OWKWFDLEUUQVSX-CYBMUJFWSA-N 0 0 341.436 3.612 50 30 EHEARN CC(C)/C(=N\O)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015356996 519383868 /nfs/dbraw/zinc/38/38/68/519383868.db2.gz UHPATALSERIGNI-VHEBQXMUSA-N 0 0 344.367 3.887 50 30 EHEARN CCO/C(C)=N\OC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000004697047 520389535 /nfs/dbraw/zinc/38/95/35/520389535.db2.gz NBWZKOCRHBAQPT-NVMNQCDNSA-N 0 0 340.738 3.969 50 30 EHEARN COC(=O)COc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 ZINC000012896821 523235085 /nfs/dbraw/zinc/23/50/85/523235085.db2.gz FBEKZBBQLXSTDF-ZHACJKMWSA-N 0 0 336.343 3.881 50 30 EHEARN CCc1ccc(C(C)N=Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 ZINC000004947084 523870133 /nfs/dbraw/zinc/87/01/33/523870133.db2.gz SRBACMRJQDKQCG-HZHRSRAPSA-N 0 0 348.454 3.986 50 30 EHEARN CO[C@]1(C)CCCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 ZINC000328587708 524028941 /nfs/dbraw/zinc/02/89/41/524028941.db2.gz FPLAUNCEQYIWEG-DZGCQCFKSA-N 0 0 336.398 3.913 50 30 EHEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 ZINC000254702554 534779238 /nfs/dbraw/zinc/77/92/38/534779238.db2.gz RUQCGCWODJEVJZ-ARSCPMNFSA-N 0 0 346.467 3.661 50 30 EHEARN COc1ccc(OC)c(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)c1 ZINC000008715800 524800479 /nfs/dbraw/zinc/80/04/79/524800479.db2.gz VRZSQOWXLCCLST-WEVVVXLNSA-N 0 0 334.375 3.786 50 30 EHEARN CC(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1C ZINC000194020833 534814088 /nfs/dbraw/zinc/81/40/88/534814088.db2.gz VYGIPGVMMHSXKC-UHFFFAOYSA-N 0 0 344.317 3.923 50 30 EHEARN COc1cccc(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000328589708 525846817 /nfs/dbraw/zinc/84/68/17/525846817.db2.gz MIQANCMTBNSVTD-HNNXBMFYSA-N 0 0 345.830 3.522 50 30 EHEARN N=C(NOC(=O)CC1CCCCC1)c1cccc(Br)c1 ZINC000004827467 526806832 /nfs/dbraw/zinc/80/68/32/526806832.db2.gz NVXVRKZYFXLEJH-UHFFFAOYSA-N 0 0 339.233 3.583 50 30 EHEARN Cn1ccc(C(=O)/C=C\c2ccc(COc3ccc(F)cc3F)o2)n1 ZINC000006828254 527338152 /nfs/dbraw/zinc/33/81/52/527338152.db2.gz CEHPJOMDFVFXHV-WAYWQWQTSA-N 0 0 344.317 3.766 50 30 EHEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1ccc(F)cc1 ZINC000004414758 563691722 /nfs/dbraw/zinc/69/17/22/563691722.db2.gz KFYFFNDJIZAJQI-UHFFFAOYSA-N 0 0 336.413 3.810 50 30 EHEARN CSC(SC)=C(C(C)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000095384 563223904 /nfs/dbraw/zinc/22/39/04/563223904.db2.gz VUFMSJXRGVTKSG-UHFFFAOYSA-N 0 0 336.887 3.598 50 30 EHEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(Cl)cc1)CCCC3 ZINC000000431631 563311209 /nfs/dbraw/zinc/31/12/09/563311209.db2.gz CNUFRRPKUZXGNM-AWQFTUOYSA-N 0 0 343.839 3.872 50 30 EHEARN Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000000588211 563352171 /nfs/dbraw/zinc/35/21/71/563352171.db2.gz JUPVMGXIYJKBOP-QGOAFFKASA-N 0 0 332.425 3.513 50 30 EHEARN C/N=C1\S/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)C(=O)N1C ZINC000000981322 563367091 /nfs/dbraw/zinc/36/70/91/563367091.db2.gz BMBIDNUPHAMPSL-VUDPKCRPSA-N 0 0 345.855 3.971 50 30 EHEARN O=C(C=CNCC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000002897281 563462400 /nfs/dbraw/zinc/46/24/00/563462400.db2.gz RUCFERPZNMQJAP-ZHACJKMWSA-N 0 0 344.208 3.618 50 30 aggregator EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000006014768 563557441 /nfs/dbraw/zinc/55/74/41/563557441.db2.gz FUTVZXJCFXGKTQ-QGZVFWFLSA-N 0 0 337.350 3.590 50 30 EHEARN CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)OC ZINC000009482687 563644341 /nfs/dbraw/zinc/64/43/41/563644341.db2.gz NMQSISXISLBAKW-HNNXBMFYSA-N 0 0 342.439 3.513 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000010646105 563648965 /nfs/dbraw/zinc/64/89/65/563648965.db2.gz IUOKJNROJISWRO-BONVTDFDSA-N 0 0 329.227 3.815 50 30 in-vitro EHEARN COc1ccnc(CSC(=N)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013119807 563688525 /nfs/dbraw/zinc/68/85/25/563688525.db2.gz FUUPKHGOBXZVGE-UHFFFAOYSA-N 0 0 341.358 3.989 50 30 EHEARN CC[C@@H]1S/C(=N/N=C/c2ccco2)N(c2ccc(F)cc2)C1=O ZINC000013154041 563691277 /nfs/dbraw/zinc/69/12/77/563691277.db2.gz XCNZYAJNAYUKSU-SBDFZZKWSA-N 0 0 331.372 3.667 50 30 EHEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(Br)cc1 ZINC000013763444 563721609 /nfs/dbraw/zinc/72/16/09/563721609.db2.gz FBKWRDSLFSGGOP-UVTDQMKNSA-N 0 0 328.165 3.794 50 30 EHEARN Cc1c(-c2ccccc2)sc2ncn(C[C@@H](C#N)CCC#N)c(=O)c12 ZINC000014020946 563736007 /nfs/dbraw/zinc/73/60/07/563736007.db2.gz ONLHHEYGWDLLSA-CQSZACIVSA-N 0 0 348.431 3.877 50 30 EHEARN Cc1ccccc1C(=O)ON1C(=O)c2cccc3cccc(c32)C1=O ZINC000000619883 563845436 /nfs/dbraw/zinc/84/54/36/563845436.db2.gz VCPSUHIJHZYCLU-UHFFFAOYSA-N 0 0 331.327 3.516 50 30 EHEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(O)c(Cl)c1 ZINC000018255028 563851872 /nfs/dbraw/zinc/85/18/72/563851872.db2.gz LOFAXQAAFADMMB-ZROIWOOFSA-N 0 0 330.796 3.937 50 30 EHEARN CCc1csc([C@@H]2CCCN(C(=O)c3cccc(CC#N)c3)C2)n1 ZINC000072282130 563904674 /nfs/dbraw/zinc/90/46/74/563904674.db2.gz WFLSXYHENDYNAC-MRXNPFEDSA-N 0 0 339.464 3.791 50 30 EHEARN C=CCn1c(SC[C@H]2CCC(C)(C)O2)nnc1-c1ccncc1 ZINC000187287112 563920186 /nfs/dbraw/zinc/92/01/86/563920186.db2.gz LXTIYFCRLCCYFR-CQSZACIVSA-N 0 0 330.457 3.576 50 30 EHEARN N#CC(C(=O)CCc1cscn1)c1nc2cc(F)ccc2s1 ZINC000095396888 563928389 /nfs/dbraw/zinc/92/83/89/563928389.db2.gz WKJBEINSPMXJFX-LLVKDONJSA-N 0 0 331.397 3.701 50 30 EHEARN CC(C)Cc1nc(OCC(=O)Nc2ccccc2)c(C#N)c2c1CCC2 ZINC000013723521 563932209 /nfs/dbraw/zinc/93/22/09/563932209.db2.gz OUUWVYFEOQRVDS-UHFFFAOYSA-N 0 0 349.434 3.658 50 30 EHEARN N#CCN(Cc1c(O)ccc2cc(Br)ccc21)C1CC1 ZINC000058014162 563936633 /nfs/dbraw/zinc/93/66/33/563936633.db2.gz KPSRTQCYNYCQIE-UHFFFAOYSA-N 0 0 331.213 3.796 50 30 EHEARN N#Cc1cc(NCC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1C#N ZINC000004629034 563947489 /nfs/dbraw/zinc/94/74/89/563947489.db2.gz ASUFDUNKQBJZNU-UHFFFAOYSA-N 0 0 336.395 3.966 50 30 EHEARN CC(C)(C#N)c1ccc(NC(=O)N[C@H](CCO)c2cccs2)cc1 ZINC000096420109 563951459 /nfs/dbraw/zinc/95/14/59/563951459.db2.gz LYRUJFUEEYIMTM-OAHLLOKOSA-N 0 0 343.452 3.794 50 30 EHEARN COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(F)cc1 ZINC000004685317 563964028 /nfs/dbraw/zinc/96/40/28/563964028.db2.gz PHYMGDVPYAKNGY-IJAAGYKOSA-N 0 0 329.327 3.566 50 30 EHEARN Cn1c(CNc2cc(C#N)ccc2C(F)(F)F)nnc1C1CCC1 ZINC000097103464 563967588 /nfs/dbraw/zinc/96/75/88/563967588.db2.gz BFJDSIKBWHVENH-UHFFFAOYSA-N 0 0 335.333 3.585 50 30 EHEARN C#CC[C@@H](OC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccccn1 ZINC000097039070 563971456 /nfs/dbraw/zinc/97/14/56/563971456.db2.gz MCJRUOGDWMEAKJ-GOSISDBHSA-N 0 0 348.406 3.637 50 30 EHEARN N#Cc1c2c(sc1N1C(=O)[C@H]3CC=C(Cl)C[C@@H]3C1=O)CCCC2 ZINC000095393205 563976955 /nfs/dbraw/zinc/97/69/55/563976955.db2.gz XRYKWRWQSDKXKJ-RYUDHWBXSA-N 0 0 346.839 3.521 50 30 EHEARN COc1cccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1 ZINC000000365814 563991723 /nfs/dbraw/zinc/99/17/23/563991723.db2.gz NFRQTDPFFOMCQF-XNTDXEJSSA-N 0 0 328.368 3.726 50 30 EHEARN Cc1sc(NC(=O)c2ccnn2C)c(C#N)c1-c1ccc(F)cc1 ZINC000000372149 563991766 /nfs/dbraw/zinc/99/17/66/563991766.db2.gz NYKBIRCZYKHZFL-UHFFFAOYSA-N 0 0 340.383 3.720 50 30 EHEARN Cc1[nH]c2ccccc2c1CN=Nc1nn2cnnc2c2ccccc21 ZINC000004897660 563992311 /nfs/dbraw/zinc/99/23/11/563992311.db2.gz GGWNVAYKBJMEMS-KEBDBYFISA-N 0 0 341.378 3.513 50 30 EHEARN CCc1cccc(N/N=C2/Oc3ccc4c(C)cc(=O)oc4c3C2=O)c1 ZINC000100499347 563992625 /nfs/dbraw/zinc/99/26/25/563992625.db2.gz AEOXNEKNUJIZRP-LSDHQDQOSA-N 0 0 348.358 3.665 50 30 biogenic EHEARN CN(C)c1ccc(/C=C2/Sc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000033850614 563994683 /nfs/dbraw/zinc/99/46/83/563994683.db2.gz KUEPMCMGFZVBFC-MHWRWJLKSA-N 0 0 326.377 3.990 50 30 EHEARN N#CC1(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CCOCC1 ZINC000188977418 563995551 /nfs/dbraw/zinc/99/55/51/563995551.db2.gz ZJMPNLBGKHOPRC-HXUWFJFHSA-N 0 0 346.430 3.777 50 30 EHEARN C#Cc1ccc(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1 ZINC000225640239 563995947 /nfs/dbraw/zinc/99/59/47/563995947.db2.gz IIWVDPZUVJUTAD-FQEVSTJZSA-N 0 0 344.458 3.784 50 30 EHEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000005201303 564000505 /nfs/dbraw/zinc/00/05/05/564000505.db2.gz OYEZNFMQOJFUEA-YRNVUSSQSA-N 0 0 349.755 3.733 50 30 EHEARN C=CCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc21 ZINC000005206989 564000631 /nfs/dbraw/zinc/00/06/31/564000631.db2.gz VTHDSLBCLOKJFP-UHFFFAOYSA-N 0 0 340.390 3.896 50 30 EHEARN Cc1cc(C)c(C#N)c(Sc2nc(C)c([N+](=O)[O-])c(C)c2C#N)n1 ZINC000000075296 564001064 /nfs/dbraw/zinc/00/10/64/564001064.db2.gz JAYWMTKQELTVCM-UHFFFAOYSA-N 0 0 339.380 3.513 50 30 EHEARN O=c1c2[nH]c3ccc(F)cc3c2ncn1/N=C/c1ccccc1Cl ZINC000005253953 564001601 /nfs/dbraw/zinc/00/16/01/564001601.db2.gz HEBATFOPYPVJON-ODCIPOBUSA-N 0 0 340.745 3.553 50 30 EHEARN CCOc1cc(/C=N/c2sc3c(c2C(N)=O)CCCC3)ccc1O ZINC000005463972 564004399 /nfs/dbraw/zinc/00/43/99/564004399.db2.gz YTXDTYJLYPJCRG-KEBDBYFISA-N 0 0 344.436 3.581 50 30 EHEARN N#CCSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 ZINC000005245194 564005857 /nfs/dbraw/zinc/00/58/57/564005857.db2.gz INMIFEPTKHHZNM-UHFFFAOYSA-N 0 0 325.437 3.903 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1 ZINC000005642974 564006910 /nfs/dbraw/zinc/00/69/10/564006910.db2.gz LYFUSGYVLBBNRP-NSHDSACASA-N 0 0 346.843 3.738 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)n1 ZINC000005642999 564006919 /nfs/dbraw/zinc/00/69/19/564006919.db2.gz AMJWUBAJKODSGN-PEYYIBSZSA-N 0 0 331.485 3.746 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1cccc(Cl)c1 ZINC000018195619 564018655 /nfs/dbraw/zinc/01/86/55/564018655.db2.gz LKQIJRJDFQBVHT-ZDUSSCGKSA-N 0 0 343.814 3.969 50 30 EHEARN Cc1cc(C)nc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)n1 ZINC000000501927 564019088 /nfs/dbraw/zinc/01/90/88/564019088.db2.gz JBHDHCLOUNZUAJ-UHFFFAOYSA-N 0 0 328.379 3.818 50 30 EHEARN COc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1Cl ZINC000044842787 564027374 /nfs/dbraw/zinc/02/73/74/564027374.db2.gz YCRXJLRTTQTYMQ-VOTSOKGWSA-N 0 0 331.755 3.886 50 30 EHEARN COc1ccc(C)c(NC=CC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000044843606 564027449 /nfs/dbraw/zinc/02/74/49/564027449.db2.gz BSRDNYDTRQDTAZ-MDZDMXLPSA-N 0 0 327.380 3.829 50 30 EHEARN Cc1ccccc1NC(=NC(=O)c1ccccc1)NCc1ccccn1 ZINC000046125329 564029603 /nfs/dbraw/zinc/02/96/03/564029603.db2.gz FVEKZWCUJMLKPI-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN COc1ccc2c(c1)CC/C(=C\c1csc(-c3ncccn3)n1)C2=O ZINC000048325488 564031002 /nfs/dbraw/zinc/03/10/02/564031002.db2.gz CZWPSAMEHKRNCP-UKTHLTGXSA-N 0 0 349.415 3.821 50 30 EHEARN N#CCC[C@@H](C#N)Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000095974743 564035993 /nfs/dbraw/zinc/03/59/93/564035993.db2.gz SKDKQEYFIQEJHI-LBPRGKRZSA-N 0 0 329.201 3.756 50 30 EHEARN N#Cc1ccc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)nc1 ZINC000081704737 564049730 /nfs/dbraw/zinc/04/97/30/564049730.db2.gz PXBVMPDBMZQOED-UHFFFAOYSA-N 0 0 341.361 3.816 50 30 EHEARN CN(C(=O)CNc1ccc(C(F)(F)F)cc1)C1(C#N)CCCCC1 ZINC000052635629 564054497 /nfs/dbraw/zinc/05/44/97/564054497.db2.gz NUKVNFCYAQBVIH-UHFFFAOYSA-N 0 0 339.361 3.802 50 30 EHEARN CCCNC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000082086918 564056233 /nfs/dbraw/zinc/05/62/33/564056233.db2.gz QJVXYTFDTVTPPK-UHFFFAOYSA-N 0 0 345.855 3.892 50 30 EHEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cnccn3)sc2C1 ZINC000005902805 564056871 /nfs/dbraw/zinc/05/68/71/564056871.db2.gz USMRQZNJLQFALM-NSHDSACASA-N 0 0 340.452 3.813 50 30 EHEARN Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CCC#N)cc1 ZINC000012532096 564058320 /nfs/dbraw/zinc/05/83/20/564058320.db2.gz SSFPSXCJQRINRS-OAHLLOKOSA-N 0 0 332.407 3.749 50 30 EHEARN COc1ccc(-c2nc(C#N)c(NCc3ccccc3OC)o2)cc1 ZINC000003293039 564059108 /nfs/dbraw/zinc/05/91/08/564059108.db2.gz QTNBAPWUKAHYJV-UHFFFAOYSA-N 0 0 335.363 3.843 50 30 EHEARN Cc1sc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c(C#N)c1C ZINC000012647824 564062093 /nfs/dbraw/zinc/06/20/93/564062093.db2.gz CGOAKYHVUYMKFB-CQSZACIVSA-N 0 0 332.812 3.832 50 30 EHEARN Cc1nn(C)c(Cl)c1/C=N/OC(=O)c1cccc(C(F)(F)F)c1 ZINC000001386952 564064245 /nfs/dbraw/zinc/06/42/45/564064245.db2.gz RWLIGWDJDFRFSH-FBCYGCLPSA-N 0 0 345.708 3.592 50 30 EHEARN O=C(NCC#Cc1ccccc1)NCCc1ccc(C(F)(F)F)cc1 ZINC000012982133 564073715 /nfs/dbraw/zinc/07/37/15/564073715.db2.gz QSIYKTGLTZCGIQ-UHFFFAOYSA-N 0 0 346.352 3.599 50 30 EHEARN C=CCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1OC ZINC000014399985 564074115 /nfs/dbraw/zinc/07/41/15/564074115.db2.gz WKVGOXSWSWTXGM-UHFFFAOYSA-N 0 0 327.380 3.693 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=S ZINC000016790533 564074475 /nfs/dbraw/zinc/07/44/75/564074475.db2.gz KSZLXIRJXYCNEC-QINSGFPZSA-N 0 0 332.494 3.920 50 30 EHEARN C=CCNC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)F ZINC000002485422 564074841 /nfs/dbraw/zinc/07/48/41/564074841.db2.gz INEAEHBCBRFIKN-UHFFFAOYSA-N 0 0 342.349 3.558 50 30 EHEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(O)cc3O)n2)cc1 ZINC000043761272 564076200 /nfs/dbraw/zinc/07/62/00/564076200.db2.gz FTGGYXMGTFPEGX-UDWIEESQSA-N 0 0 339.420 3.788 50 30 EHEARN Cc1nc2ccccc2nc1SCC(=O)Nc1cccc(C#N)c1 ZINC000012907902 564077847 /nfs/dbraw/zinc/07/78/47/564077847.db2.gz RTTDZWBQQASTOH-UHFFFAOYSA-N 0 0 334.404 3.541 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1ccccc1C(=O)[O-] ZINC000063882963 564083029 /nfs/dbraw/zinc/08/30/29/564083029.db2.gz WZCUTGJVHIAKEC-UHFFFAOYSA-N 0 0 349.390 3.623 50 30 EHEARN CCCCCCNC(=NC(=O)c1ccc2c(c1)OCO2)OCC(C)C ZINC000035817363 564090912 /nfs/dbraw/zinc/09/09/12/564090912.db2.gz UKRBBRZUFBCXHS-UHFFFAOYSA-N 0 0 348.443 3.754 50 30 EHEARN COC(=O)c1ccc(Nc2c(C#N)cnc3cc(OC)ccc32)cc1 ZINC000064438713 564091299 /nfs/dbraw/zinc/09/12/99/564091299.db2.gz ZYRGDENDNBURNC-UHFFFAOYSA-N 0 0 333.347 3.645 50 30 EHEARN CCn1ncc(C(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)c1C ZINC000006556030 564092021 /nfs/dbraw/zinc/09/20/21/564092021.db2.gz YSXMWRVGWPTDDT-FNORWQNLSA-N 0 0 336.338 3.718 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(F)c1 ZINC000006641115 564095075 /nfs/dbraw/zinc/09/50/75/564095075.db2.gz XETOITZIRLVDCN-VMPITWQZSA-N 0 0 346.354 3.756 50 30 EHEARN Cc1nc(S[C@@H](C(=O)N(C)C)c2ccccc2)c(C#N)c(C)c1C ZINC000006830532 564099076 /nfs/dbraw/zinc/09/90/76/564099076.db2.gz USWXPPBNKCYXDK-QGZVFWFLSA-N 0 0 339.464 3.800 50 30 EHEARN N#Cc1cccc(NC(=O)COc2ccc(Cl)c3cccnc23)c1 ZINC000006881623 564100590 /nfs/dbraw/zinc/10/05/90/564100590.db2.gz UOMDNSBVMPZPKD-UHFFFAOYSA-N 0 0 337.766 3.777 50 30 EHEARN O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1c[nH]c2ccccc12 ZINC000006931990 564101630 /nfs/dbraw/zinc/10/16/30/564101630.db2.gz FDROHGNBKPFIAH-SXGWCWSVSA-N 0 0 335.388 3.765 50 30 EHEARN N#Cc1cccnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000007051496 564103793 /nfs/dbraw/zinc/10/37/93/564103793.db2.gz XRYJLFMYJXALDL-UHFFFAOYSA-N 0 0 338.219 3.991 50 30 EHEARN N#Cc1cccc(COC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000007233043 564105957 /nfs/dbraw/zinc/10/59/57/564105957.db2.gz PLMUSBHTQZLFQV-UHFFFAOYSA-N 0 0 343.386 3.978 50 30 EHEARN Cc1nc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc(C)c1C ZINC000007252745 564106043 /nfs/dbraw/zinc/10/60/43/564106043.db2.gz RNBBDZBGLOMVRP-UHFFFAOYSA-N 0 0 346.843 3.658 50 30 EHEARN C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1cccc(Cl)c1 ZINC000007267355 564106164 /nfs/dbraw/zinc/10/61/64/564106164.db2.gz SYPQHHCKPDBIFK-CYBMUJFWSA-N 0 0 327.815 3.671 50 30 EHEARN COc1ccc([C@H](NCC#N)c2ccccc2)cc1Br ZINC000065552499 564107475 /nfs/dbraw/zinc/10/74/75/564107475.db2.gz YXQAYNQEOPSIDY-MRXNPFEDSA-N 0 0 331.213 3.660 50 30 EHEARN Cc1c(C(=O)N(CCC#N)[C@H](C)C2CC2)cnn1-c1ccccc1C ZINC000065588313 564107874 /nfs/dbraw/zinc/10/78/74/564107874.db2.gz RIQXWCVBDOMKFW-OAHLLOKOSA-N 0 0 336.439 3.644 50 30 EHEARN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC=C(c2ccccc2)CC1 ZINC000007417804 564108169 /nfs/dbraw/zinc/10/81/69/564108169.db2.gz WGMKQXMEAFFFKV-MRXNPFEDSA-N 0 0 331.419 3.675 50 30 EHEARN C[C@H]1C[C@H](c2ccsc2)CN1C(=O)COc1ccc(CC#N)cc1 ZINC000076020817 564114598 /nfs/dbraw/zinc/11/45/98/564114598.db2.gz HNJMKERXZPJQJC-YOEHRIQHSA-N 0 0 340.448 3.598 50 30 EHEARN CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC000076092013 564115668 /nfs/dbraw/zinc/11/56/68/564115668.db2.gz UDUUMWILNLLCOR-DLBZAZTESA-N 0 0 327.428 3.808 50 30 EHEARN C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCOC[C@@H]2C)c1 ZINC000194284572 564120468 /nfs/dbraw/zinc/12/04/68/564120468.db2.gz YOQGUGZJMBXYCS-HNAYVOBHSA-N 0 0 339.460 3.935 50 30 EHEARN COc1cccc(C(=O)Nc2nnc(N=Cc3cccs3)s2)c1 ZINC000252620530 564122365 /nfs/dbraw/zinc/12/23/65/564122365.db2.gz MFYVGOHJEFJHRQ-UHFFFAOYSA-N 0 0 344.421 3.611 50 30 EHEARN N#Cc1ccc(OCC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000007890523 564124469 /nfs/dbraw/zinc/12/44/69/564124469.db2.gz CHOCGHBCWRXEHP-FQEVSTJZSA-N 0 0 348.427 3.904 50 30 EHEARN N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H]4CC[C@@H](C3)O4)cc2)c1 ZINC000253429143 564131304 /nfs/dbraw/zinc/13/13/04/564131304.db2.gz BWUMSPISIDNDTQ-KDURUIRLSA-N 0 0 349.390 3.746 50 30 EHEARN CCOC(=O)c1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C ZINC000000138267 564132896 /nfs/dbraw/zinc/13/28/96/564132896.db2.gz JWJFEGORHUDZMC-UHFFFAOYSA-N 0 0 328.393 3.666 50 30 EHEARN N#Cc1ccccc1OC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007979886 564133892 /nfs/dbraw/zinc/13/38/92/564133892.db2.gz UEIDSFVEBCWEEY-SOFGYWHQSA-N 0 0 328.711 3.739 50 30 EHEARN C[C@@H](NC(=O)c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000027741280 564134346 /nfs/dbraw/zinc/13/43/46/564134346.db2.gz FQQMIBFAHILBLX-LLVKDONJSA-N 0 0 329.197 3.812 50 30 EHEARN CO/N=C(\CSc1ccc(C)cc1)c1sc2ncnn2c1C ZINC000012338601 564135165 /nfs/dbraw/zinc/13/51/65/564135165.db2.gz MSAMGIAOBVBFGE-QGOAFFKASA-N 0 0 332.454 3.550 50 30 EHEARN N#Cc1cccnc1N1CCC[C@@](CO)(CCCc2ccccc2)C1 ZINC000067946416 564134975 /nfs/dbraw/zinc/13/49/75/564134975.db2.gz KYKLPLQEWFBGHY-NRFANRHFSA-N 0 0 335.451 3.555 50 30 EHEARN COc1ccccc1Cc1nnc(SCc2cccc(C#N)c2)o1 ZINC000066258079 564135382 /nfs/dbraw/zinc/13/53/82/564135382.db2.gz ANRQTQUHPVFAAF-UHFFFAOYSA-N 0 0 337.404 3.833 50 30 EHEARN N#C[C@@H](C(=O)CCc1cc(Br)cs1)c1ccccn1 ZINC000078657783 564136456 /nfs/dbraw/zinc/13/64/56/564136456.db2.gz MAKHZUVGSPYRRE-GFCCVEGCSA-N 0 0 335.226 3.715 50 30 EHEARN Cc1noc(C2CC2)c1NC(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000328587843 564136599 /nfs/dbraw/zinc/13/65/99/564136599.db2.gz AOBKNPXNBUKYGQ-NSHDSACASA-N 0 0 327.384 3.689 50 30 EHEARN Cc1cscc1CNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000328588020 564136607 /nfs/dbraw/zinc/13/66/07/564136607.db2.gz MBCDVVCAHBJTIF-ZDUSSCGKSA-N 0 0 334.445 3.814 50 30 EHEARN CC(C)c1nnc(CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)s1 ZINC000328594003 564136810 /nfs/dbraw/zinc/13/68/10/564136810.db2.gz HRVSDVYAXPCGBO-SCLBCKFNSA-N 0 0 343.452 3.858 50 30 EHEARN COc1ccccc1CC1CCN(C(=O)c2sccc2C#N)CC1 ZINC000078979556 564137527 /nfs/dbraw/zinc/13/75/27/564137527.db2.gz UFVMNQMCRXFREO-UHFFFAOYSA-N 0 0 340.448 3.723 50 30 EHEARN CCCCS(=O)(=O)Nc1ccc(NCc2ccc(C#N)cc2)cc1 ZINC000095429277 564140295 /nfs/dbraw/zinc/14/02/95/564140295.db2.gz RISRJMYWJDWVEY-UHFFFAOYSA-N 0 0 343.452 3.712 50 30 EHEARN O=C1NC(=Nc2ccc3c(c2)OCO3)C(=Cc2cccnc2)S1 ZINC000095474024 564141359 /nfs/dbraw/zinc/14/13/59/564141359.db2.gz HQSAQZXOKCYKCV-MKMNVTDBSA-N 0 0 325.349 3.542 50 30 EHEARN N#CC1(NS(=O)(=O)C2=Cc3ccccc3CC2)CCCCCC1 ZINC000095944025 564142146 /nfs/dbraw/zinc/14/21/46/564142146.db2.gz TZWLDGKSMXDNRC-UHFFFAOYSA-N 0 0 330.453 3.510 50 30 EHEARN N#CCCSc1ccccc1NC(=O)c1cnn(-c2ccccc2)n1 ZINC000095953549 564142427 /nfs/dbraw/zinc/14/24/27/564142427.db2.gz JZOIUOGVSCIUBF-UHFFFAOYSA-N 0 0 349.419 3.525 50 30 EHEARN N#CC1(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)CCCC1 ZINC000096003034 564144399 /nfs/dbraw/zinc/14/43/99/564144399.db2.gz SAIYPVHEFCVUFL-INIZCTEOSA-N 0 0 326.444 3.576 50 30 EHEARN Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3ccc(F)cn3)cc2)n1 ZINC000096446491 564148249 /nfs/dbraw/zinc/14/82/49/564148249.db2.gz RDHRCVYPELAZIB-QGZVFWFLSA-N 0 0 334.354 3.513 50 30 EHEARN CC(C)[C@H](C#N)c1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 ZINC000003186768 564155791 /nfs/dbraw/zinc/15/57/91/564155791.db2.gz OCNCQKRUAOHTIZ-SFHVURJKSA-N 0 0 331.419 3.666 50 30 EHEARN Cc1cc(C#N)c(C)n1-c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003201881 564155919 /nfs/dbraw/zinc/15/59/19/564155919.db2.gz MIDJWGCVGGNUCR-UHFFFAOYSA-N 0 0 349.356 3.821 50 30 EHEARN C=CCn1c(SCC#N)nc2sc3c(c2c1=O)CCCCC3 ZINC000003339268 564157451 /nfs/dbraw/zinc/15/74/51/564157451.db2.gz OJSLOZANFQPYFI-UHFFFAOYSA-N 0 0 331.466 3.529 50 30 EHEARN Cc1csc(N=NCc2ccccc2I)n1 ZINC000003958952 564159804 /nfs/dbraw/zinc/15/98/04/564159804.db2.gz KCKFPEDMSDYVDE-AWNIVKPZSA-N 0 0 343.193 3.502 50 30 EHEARN C[C@H](NC(=O)COc1ccccc1C#N)c1ccc2ccccc2c1 ZINC000008488967 564165435 /nfs/dbraw/zinc/16/54/35/564165435.db2.gz KCRBXYAFGREQSC-HNNXBMFYSA-N 0 0 330.387 3.968 50 30 EHEARN O=C(Nc1nc2ncccn2n1)C(c1ccccc1)c1ccccc1 ZINC000067745314 564166418 /nfs/dbraw/zinc/16/64/18/564166418.db2.gz DFYSXAVJZVCVSD-UHFFFAOYSA-N 0 0 329.363 3.544 50 30 EHEARN Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(C#N)cc2F)c(C)c1 ZINC000008944795 564168143 /nfs/dbraw/zinc/16/81/43/564168143.db2.gz VQXIVBVQSZPLOY-UHFFFAOYSA-N 0 0 339.414 3.693 50 30 EHEARN N#Cc1ccccc1N1CCN(Cc2cncn2C2CCCCC2)CC1 ZINC000244795779 564168492 /nfs/dbraw/zinc/16/84/92/564168492.db2.gz RNMCLMWIYUDKAG-UHFFFAOYSA-N 0 0 349.482 3.582 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000069814738 564172359 /nfs/dbraw/zinc/17/23/59/564172359.db2.gz NDVYQWFMMBQKAW-DYVFJYSZSA-N 0 0 338.432 3.881 50 30 EHEARN Cc1nn(C)c(C)c1-c1cc(-c2ccc3[nH]ccc3c2)c(C#N)c(N)n1 ZINC000071755473 564175230 /nfs/dbraw/zinc/17/52/30/564175230.db2.gz KNLGMCSCFOZXRH-UHFFFAOYSA-N 0 0 342.406 3.701 50 30 EHEARN N#Cc1c(NC(=O)[C@@H]2Cc3ccccc3O2)sc2c1CCCCC2 ZINC000078544026 564176974 /nfs/dbraw/zinc/17/69/74/564176974.db2.gz XHUNYPRAKXIYAD-INIZCTEOSA-N 0 0 338.432 3.831 50 30 EHEARN CC(=O)Nc1ccc(/C=C/C(=O)/C=C\c2ccc(NC(C)=O)cc2)cc1 ZINC000025668072 564177405 /nfs/dbraw/zinc/17/74/05/564177405.db2.gz VCHAUTKELJAWIB-MFUUIURDSA-N 0 0 348.402 3.899 50 30 EHEARN CNc1ccc(/C=C2\CCOc3ccc(C)cc3C2=O)cc1[N+](=O)[O-] ZINC000013039604 1021029569 /nfs/dbraw/zinc/02/95/69/1021029569.db2.gz ZJZAQBNVRDLOGE-GXDHUFHOSA-N 0 0 338.363 3.994 50 30 EHEARN COc1cc(/C=C\c2ccncc2C#N)cc(Br)c1O ZINC000526062905 1031565216 /nfs/dbraw/zinc/56/52/16/1031565216.db2.gz UUKGLAVSNJOQLK-IHWYPQMZSA-N 0 0 331.169 3.600 50 30 EHEARN CCC/C(=N\OCC)C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000102718366 1034419063 /nfs/dbraw/zinc/41/90/63/1034419063.db2.gz NMHGOXYVOKDNHF-QTNFOGCQSA-N 0 0 327.490 3.875 50 30 EHEARN Cn1cc(/C=C\C(=O)c2cccc(O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066406640 1035445897 /nfs/dbraw/zinc/44/58/97/1035445897.db2.gz YJPIUHKFQQJCRR-YFHOEESVSA-N 0 0 349.346 3.597 50 30 EHEARN CN=c1scc(C)n1N=Cc1c[nH]c2ccc(Br)cc12 ZINC000254866158 1035563530 /nfs/dbraw/zinc/56/35/30/1035563530.db2.gz AMAUDKWBNKDPEG-UHFFFAOYSA-N 0 0 349.257 3.515 50 30 EHEARN CN(C(=O)OC(C)(C)C)c1ccc(NCc2ccc(C#N)cc2)cn1 ZINC000296084246 1039362695 /nfs/dbraw/zinc/36/26/95/1039362695.db2.gz QSAHIHBHICHTGQ-UHFFFAOYSA-N 0 0 338.411 3.937 50 30 EHEARN N#C[C@]1(NC(=O)/C=C\c2c(Cl)cccc2Cl)CCSC1 ZINC000098055703 1039429101 /nfs/dbraw/zinc/42/91/01/1039429101.db2.gz AORVLEXWTMMYHQ-ZRUQZJFASA-N 0 0 327.236 3.522 50 30 EHEARN N#CC1(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)CCCCC1 ZINC000178639017 1040139458 /nfs/dbraw/zinc/13/94/58/1040139458.db2.gz QEVPAKBJKXOESL-UHFFFAOYSA-N 0 0 336.317 3.994 50 30 EHEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000014753700 1040167178 /nfs/dbraw/zinc/16/71/78/1040167178.db2.gz UHENYSZSMPSDHK-LFYBBSHMSA-N 0 0 336.347 3.618 50 30 EHEARN COc1cc(/C=C2/COc3cc(C)c(C)cc3C2=O)cc(OC)c1O ZINC000150959688 1040426034 /nfs/dbraw/zinc/42/60/34/1040426034.db2.gz QWJLTOGDPMKRDF-AUWJEWJLSA-N 0 0 340.375 3.685 50 30 EHEARN N#CCCSc1nnc(N2CCCC2)n1-c1ccccc1Cl ZINC000006994260 1042829644 /nfs/dbraw/zinc/82/96/44/1042829644.db2.gz GQSGRWUXXUAAEH-UHFFFAOYSA-N 0 0 333.848 3.527 50 30 EHEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000005101045 1042829842 /nfs/dbraw/zinc/82/98/42/1042829842.db2.gz AHLCIVODOFZUCJ-FQEVSTJZSA-N 0 0 333.391 3.608 50 30 EHEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Cl)cc1 ZINC000000545678 1044006113 /nfs/dbraw/zinc/00/61/13/1044006113.db2.gz DQSNFGLRAFFPCN-UDWIEESQSA-N 0 0 325.799 3.885 50 30 EHEARN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)C2=O)c1 ZINC000085438183 1127544707 /nfs/dbraw/zinc/54/47/07/1127544707.db2.gz SJMQRQWMJYQOHB-HZPDHXFCSA-N 0 0 327.428 3.551 50 30 EHEARN C=C(C)C[C@H](C)C(=O)NCCCc1nc(-c2ccccn2)cs1 ZINC000585126280 1137016953 /nfs/dbraw/zinc/01/69/53/1137016953.db2.gz VCHBGVPEUFNHHI-AWEZNQCLSA-N 0 0 329.469 3.856 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)N=N1 ZINC000952879513 1137483237 /nfs/dbraw/zinc/48/32/37/1137483237.db2.gz FDDHJKZDBHAOFB-AEFFLSMTSA-N 0 0 343.402 3.518 50 30 EHEARN FC(F)(F)COP(OCC(F)(F)F)OCC(F)(F)F ZINC000006844433 201702274 /nfs/dbraw/zinc/70/22/74/201702274.db2.gz CBIQXUBDNNXYJM-UHFFFAOYSA-N 0 0 328.067 3.950 50 30 EHEARN C=C(C)COc1ccccc1C(=O)NC[C@H]1OCCc2ccccc21 ZINC000055198547 214286490 /nfs/dbraw/zinc/28/64/90/214286490.db2.gz PNJZIHOBUYWUID-HXUWFJFHSA-N 0 0 337.419 3.685 50 30 EHEARN C=CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000004678502 210244480 /nfs/dbraw/zinc/24/44/80/210244480.db2.gz FSGJMHCQGDHDJV-UHFFFAOYSA-N 0 0 330.434 3.551 50 30 EHEARN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(OC)c1O ZINC000004600479 210230304 /nfs/dbraw/zinc/23/03/04/210230304.db2.gz HRUBZCDWHJEHPP-KBVGCWLLSA-N 0 0 347.436 3.964 50 30 EHEARN COc1ccc(C=NNc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000004578303 210224791 /nfs/dbraw/zinc/22/47/91/210224791.db2.gz ZTDMUEPMXUFHQI-CXUHLZMHSA-N 0 0 328.353 3.659 50 30 EHEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O ZINC000004385994 210184787 /nfs/dbraw/zinc/18/47/87/210184787.db2.gz YCKICRHFMWTSCM-GOSISDBHSA-N 0 0 345.446 3.895 50 30 EHEARN CCOc1ccc(/C=C/c2nc(C#N)c(NC[C@H]3CCCO3)o2)cc1 ZINC000008323920 201744770 /nfs/dbraw/zinc/74/47/70/201744770.db2.gz SYJDEZFJKBRYII-OJXHRBAXSA-N 0 0 339.395 3.706 50 30 EHEARN N#Cc1ccc(CCC(=O)OCc2cc(-c3ccccc3)on2)cc1 ZINC000012959173 201877385 /nfs/dbraw/zinc/87/73/85/201877385.db2.gz MCXIOQOLLNETIS-UHFFFAOYSA-N 0 0 332.359 3.889 50 30 EHEARN CCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000103504441 219309441 /nfs/dbraw/zinc/30/94/41/219309441.db2.gz MZCRMUITXLIPTK-AWEZNQCLSA-N 0 0 326.783 3.864 50 30 EHEARN COc1cc(C#N)ccc1O[C@H](C)c1nnc(-c2cccs2)o1 ZINC000018260280 201995306 /nfs/dbraw/zinc/99/53/06/201995306.db2.gz PVLVHDFCGVEHMU-SNVBAGLBSA-N 0 0 327.365 3.818 50 30 EHEARN Cc1ccc(NC(=S)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000018206660 201995344 /nfs/dbraw/zinc/99/53/44/201995344.db2.gz UXEHSJUTAGYFIT-RQZCQDPDSA-N 0 0 348.815 3.877 50 30 EHEARN Cc1ccc(CN2CCN(/N=C/c3cccc(F)c3)CC2)c(C)c1 ZINC000019791178 202020695 /nfs/dbraw/zinc/02/06/95/202020695.db2.gz WLIAFOXRNYOJCC-HYARGMPZSA-N 0 0 325.431 3.594 50 30 EHEARN N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccco1 ZINC000019805685 202022235 /nfs/dbraw/zinc/02/22/35/202022235.db2.gz LVWJHQUXRQBOKQ-UHFFFAOYSA-N 0 0 332.388 3.959 50 30 aggregator EHEARN Cc1ccccc1[C@H]1CC(=O)Nc2sc3c(nc(N)c(C#N)c3C)c21 ZINC000020347571 202039540 /nfs/dbraw/zinc/03/95/40/202039540.db2.gz NYSINRQLUQCAPS-GFCCVEGCSA-N 0 0 348.431 3.841 50 30 EHEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NN=c1ccc2ccccc2[nH]1 ZINC000020985953 202059676 /nfs/dbraw/zinc/05/96/76/202059676.db2.gz YPHHMLUFEQPMIU-UHFFFAOYSA-N 0 0 333.307 3.561 50 30 EHEARN N#Cc1cnc(SCc2coc(-c3ccc(Cl)cc3)n2)nc1N ZINC000021735980 202069282 /nfs/dbraw/zinc/06/92/82/202069282.db2.gz PSIYJRHMOOOQHX-UHFFFAOYSA-N 0 0 343.799 3.531 50 30 EHEARN Oc1ccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000023382685 202103168 /nfs/dbraw/zinc/10/31/68/202103168.db2.gz KCWQXFJCOCFFPX-CPNJWEJPSA-N 0 0 336.420 3.503 50 30 EHEARN CC(=O)c1sc(N=NCc2ccc(Br)cc2)nc1C ZINC000031854439 202210717 /nfs/dbraw/zinc/21/07/17/202210717.db2.gz HWMBTYOCHBSFDO-CHHVJCJISA-N 0 0 338.230 3.863 50 30 EHEARN COc1ccc2cc(COC(=O)COc3ccccc3C#N)ccc2c1 ZINC000032753636 202232445 /nfs/dbraw/zinc/23/24/45/202232445.db2.gz QVKCHKPBVVHQGQ-UHFFFAOYSA-N 0 0 347.370 3.842 50 30 EHEARN Cc1nccn1Cc1cccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000032809706 202235479 /nfs/dbraw/zinc/23/54/79/202235479.db2.gz WORAZFVWIIFQLS-UHFFFAOYSA-N 0 0 347.378 3.632 50 30 EHEARN COc1cc(C(=O)N(C)C[C@@H](C)C#N)ccc1OCc1ccccc1 ZINC000032928115 202242847 /nfs/dbraw/zinc/24/28/47/202242847.db2.gz KLANZYZYHHKSMV-HNNXBMFYSA-N 0 0 338.407 3.506 50 30 EHEARN COc1ccc(/C(C)=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000033281798 202255342 /nfs/dbraw/zinc/25/53/42/202255342.db2.gz YSYLWSXFLHIUGF-RELWKKBWSA-N 0 0 337.467 3.545 50 30 EHEARN CC(C)OC(=O)c1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000032923570 212872566 /nfs/dbraw/zinc/87/25/66/212872566.db2.gz DEGNGPFWPSXEOW-UHFFFAOYSA-N 0 0 326.308 3.824 50 30 EHEARN CC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000036093476 202315073 /nfs/dbraw/zinc/31/50/73/202315073.db2.gz LGERHHYECJMWLG-YXCPHSOBSA-N 0 0 343.477 3.992 50 30 EHEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O ZINC000005789399 201361795 /nfs/dbraw/zinc/36/17/95/201361795.db2.gz ZMQXYVSUOCWFOW-UWVJOHFNSA-N 0 0 336.343 3.986 50 30 biogenic EHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O ZINC000009575510 201363099 /nfs/dbraw/zinc/36/30/99/201363099.db2.gz AUCDXMUTTJRAHW-CCOVPTLTSA-N 0 0 338.359 3.552 50 30 EHEARN N#Cc1cc([N+](=O)[O-])c(NCc2ccoc2)cc1NCc1ccoc1 ZINC000330031636 201363873 /nfs/dbraw/zinc/36/38/73/201363873.db2.gz BNFVDMMVIAMYHQ-UHFFFAOYSA-N 0 0 338.323 3.877 50 30 EHEARN N#Cc1cccc(/C=C\C(=O)N2CCC(Nc3ccccc3)CC2)c1 ZINC000096456680 201376678 /nfs/dbraw/zinc/37/66/78/201376678.db2.gz JIKSZMYHAXKHNF-KTKRTIGZSA-N 0 0 331.419 3.675 50 30 EHEARN CCOc1cccc(C(=O)/C=C\c2csc(N(CC)C(C)=O)n2)c1 ZINC000096313776 201377117 /nfs/dbraw/zinc/37/71/17/201377117.db2.gz GAJDWVTXOTZGAR-KTKRTIGZSA-N 0 0 344.436 3.811 50 30 EHEARN N#Cc1cn(CC(=O)NCc2ccc(F)c(Cl)c2)c2ccccc12 ZINC000051319176 202639189 /nfs/dbraw/zinc/63/91/89/202639189.db2.gz DUVOLBYOGQDYCR-UHFFFAOYSA-N 0 0 341.773 3.622 50 30 EHEARN N#Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000055741665 202698111 /nfs/dbraw/zinc/69/81/11/202698111.db2.gz NGDJVVZYBBETSI-UHFFFAOYSA-N 0 0 347.418 3.827 50 30 EHEARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(C#N)c2)c1 ZINC000022703798 212318396 /nfs/dbraw/zinc/31/83/96/212318396.db2.gz SYNWJLKSBNCNEZ-GOSISDBHSA-N 0 0 336.391 3.553 50 30 EHEARN N#Cc1ccc(-c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 ZINC000000347187 201462821 /nfs/dbraw/zinc/46/28/21/201462821.db2.gz VRHVJLFHYKCASX-UHFFFAOYSA-N 0 0 342.398 3.920 50 30 EHEARN CC(=O)ON1[C@H](c2ccc(F)cc2)N=C(c2ccccc2)C1(C)C ZINC000000275588 201456652 /nfs/dbraw/zinc/45/66/52/201456652.db2.gz GRNHNEJADQFBGR-GOSISDBHSA-N 0 0 326.371 3.886 50 30 EHEARN Cc1cc(C)c2cc(C=C3C(=O)c4ccccc4C3=O)c(=O)oc2c1 ZINC000002549680 201534674 /nfs/dbraw/zinc/53/46/74/201534674.db2.gz YYGPWGCSHKFKTL-UHFFFAOYSA-N 0 0 330.339 3.872 50 30 EHEARN O=C(O/N=C1\C(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000003141765 201558343 /nfs/dbraw/zinc/55/83/43/201558343.db2.gz PJNMPSWBEWKMSZ-UHFFFAOYSA-N 0 0 335.146 3.507 50 30 EHEARN COc1cc(/C=C2\COc3ccccc3C2=O)ccc1OC(F)F ZINC000003506216 201575003 /nfs/dbraw/zinc/57/50/03/201575003.db2.gz UDIZYYOPWZZAHI-XYOKQWHBSA-N 0 0 332.302 3.955 50 30 EHEARN CC(C)(C)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 ZINC000004453194 201601997 /nfs/dbraw/zinc/60/19/97/201601997.db2.gz DFEBVIAXLWKOID-OAHLLOKOSA-N 0 0 341.432 3.912 50 30 EHEARN CC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2cccc(C#N)c2)O1 ZINC000065396921 202842164 /nfs/dbraw/zinc/84/21/64/202842164.db2.gz QHIXZCBFQPUHFW-AABGKKOBSA-N 0 0 334.419 3.987 50 30 EHEARN C=CCn1c2nc(-c3ccco3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604653 212152856 /nfs/dbraw/zinc/15/28/56/212152856.db2.gz PXRTWGYNWSXWFJ-UHFFFAOYSA-N 0 0 335.335 3.838 50 30 EHEARN CN(C(=O)c1cccc(C(=O)NC2(C#N)CCCC2)c1)c1ccccc1 ZINC000069899763 203062401 /nfs/dbraw/zinc/06/24/01/203062401.db2.gz WXKVAGMAPHMCOP-UHFFFAOYSA-N 0 0 347.418 3.529 50 30 EHEARN Cc1ccc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)n1-c1cccnc1 ZINC000071714599 203105066 /nfs/dbraw/zinc/10/50/66/203105066.db2.gz IQCNIXIBOHFXOO-UHFFFAOYSA-N 0 0 340.390 3.692 50 30 EHEARN C[C@H](Nc1ncccc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000071905249 203144824 /nfs/dbraw/zinc/14/48/24/203144824.db2.gz IPNBJDLEWALHNM-AWEZNQCLSA-N 0 0 343.390 3.774 50 30 EHEARN Cc1cnc([C@@H](NC(=O)CCc2ccc(C#N)cc2)C2CC2)s1 ZINC000072296829 203196585 /nfs/dbraw/zinc/19/65/85/203196585.db2.gz PJGDEUYJKSGNFB-KRWDZBQOSA-N 0 0 325.437 3.523 50 30 EHEARN CC(=O)Nc1cccc(CNc2nc(C(F)(F)F)ccc2C#N)c1 ZINC000075139766 203305653 /nfs/dbraw/zinc/30/56/53/203305653.db2.gz MIICYEYHMUYFOF-UHFFFAOYSA-N 0 0 334.301 3.543 50 30 EHEARN CCCNc1ccc(C#N)cc1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000075092561 203299881 /nfs/dbraw/zinc/29/98/81/203299881.db2.gz RIUVWEKYKZAOCJ-KSSFIOAISA-N 0 0 329.444 3.914 50 30 EHEARN Cc1cc(Oc2ccc(C(N)=O)cc2)n2c3ccccc3nc2c1C#N ZINC000075604791 203319225 /nfs/dbraw/zinc/31/92/25/203319225.db2.gz VEUJOJWPNWRRQG-UHFFFAOYSA-N 0 0 342.358 3.559 50 30 EHEARN COc1ccc2c(c1)CCC/C2=N/OC(=O)c1ccccc1OC ZINC000100048520 203989130 /nfs/dbraw/zinc/98/91/30/203989130.db2.gz JJTMKAVMZRVHFW-JZJYNLBNSA-N 0 0 325.364 3.601 50 30 EHEARN O=C1c2ccccc2C2=C1[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 ZINC000100415607 203993468 /nfs/dbraw/zinc/99/34/68/203993468.db2.gz MJNXUGYYMOXRQF-GOSISDBHSA-N 0 0 343.382 3.694 50 30 EHEARN CCOC(=O)c1cc(CC)sc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100772829 203997493 /nfs/dbraw/zinc/99/74/93/203997493.db2.gz OXSXZGSVQWAQGJ-VXLYETTFSA-N 0 0 349.452 3.764 50 30 EHEARN CN(C)c1ccc([C@@H]2CC(=O)C=C(NC3Cc4ccccc4C3)C2)cc1 ZINC000101172569 204001779 /nfs/dbraw/zinc/00/17/79/204001779.db2.gz BWKYIACDFYISLN-IBGZPJMESA-N 0 0 346.474 3.840 50 30 EHEARN C=CCNC(=S)N=NCc1cccc(OCc2ccc(C)cc2)c1 ZINC000005237096 205762145 /nfs/dbraw/zinc/76/21/45/205762145.db2.gz RJARKFYBNYRHFZ-FYJGNVAPSA-N 0 0 339.464 3.969 50 30 EHEARN N#Cc1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000170654170 206596581 /nfs/dbraw/zinc/59/65/81/206596581.db2.gz PYECKHVCYFHPMV-HNNXBMFYSA-N 0 0 344.365 3.636 50 30 EHEARN C=C(C)CNC(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1 ZINC000012761552 211448481 /nfs/dbraw/zinc/44/84/81/211448481.db2.gz AHKXKCZOIVULEY-UHFFFAOYSA-N 0 0 334.803 3.830 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccccc2Cl)C(C(=O)OCC)=C1C ZINC000012413448 211373409 /nfs/dbraw/zinc/37/34/09/211373409.db2.gz GHPNNJIBIZGMOR-KAMYIIQDSA-N 0 0 331.799 3.589 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096420676 218784896 /nfs/dbraw/zinc/78/48/96/218784896.db2.gz LHHAOXPCVBTLRR-MRVWCRGKSA-N 0 0 340.345 3.697 50 30 EHEARN Cc1cc(NC(=O)C#Cc2ccccc2)ccc1NC(=O)c1ccco1 ZINC000176093872 257954557 /nfs/dbraw/zinc/95/45/57/257954557.db2.gz PMSAYMLCXGCBOT-UHFFFAOYSA-N 0 0 344.370 3.831 50 30 EHEARN N#Cc1cccc(COc2cccc(NC(=O)c3ccncc3F)c2)c1 ZINC000172720062 257954652 /nfs/dbraw/zinc/95/46/52/257954652.db2.gz ZKGWAVAFMVATJM-UHFFFAOYSA-N 0 0 347.349 3.924 50 30 EHEARN Cc1ccc(C#N)cc1N1C(=O)CN(Cc2ccc(Cl)s2)C1=O ZINC000328595342 258043406 /nfs/dbraw/zinc/04/34/06/258043406.db2.gz RUEBSFUBEGGTBG-UHFFFAOYSA-N 0 0 345.811 3.550 50 30 EHEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1cccnc1 ZINC000006725618 258044185 /nfs/dbraw/zinc/04/41/85/258044185.db2.gz DOXHQAVBARTXLK-UHFFFAOYSA-N 0 0 338.436 3.827 50 30 EHEARN CCCN(C(=O)c1c(C)nn(C)c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000330033097 258001913 /nfs/dbraw/zinc/00/19/13/258001913.db2.gz WHZXLLKPQXIQNM-OAHLLOKOSA-N 0 0 342.443 3.566 50 30 EHEARN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(C)C ZINC000330032948 258002657 /nfs/dbraw/zinc/00/26/57/258002657.db2.gz VHVCQUVHEFYNCJ-UHFFFAOYSA-N 0 0 331.243 3.954 50 30 EHEARN C=CCn1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1C1CC1 ZINC000012863051 258017387 /nfs/dbraw/zinc/01/73/87/258017387.db2.gz SYCBGTLGXOVTDU-UHFFFAOYSA-N 0 0 339.464 3.805 50 30 EHEARN C=CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000007781061 258017976 /nfs/dbraw/zinc/01/79/76/258017976.db2.gz DVYGVIDJLADGRR-UHFFFAOYSA-N 0 0 349.390 3.574 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OC)cc1 ZINC000007720523 258018052 /nfs/dbraw/zinc/01/80/52/258018052.db2.gz FJTXPORJEDBXGW-UHFFFAOYSA-N 0 0 349.390 3.574 50 30 EHEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccnc1 ZINC000019923568 258057215 /nfs/dbraw/zinc/05/72/15/258057215.db2.gz OFWBFMOWZCTFAA-PBHICJAKSA-N 0 0 330.428 3.582 50 30 EHEARN COc1cc(C(=O)N(C)C[C@H](C)C#N)ccc1OCc1ccccc1 ZINC000032928117 258059066 /nfs/dbraw/zinc/05/90/66/258059066.db2.gz KLANZYZYHHKSMV-OAHLLOKOSA-N 0 0 338.407 3.506 50 30 EHEARN CCOc1ccc(-c2nc(CC(=O)N(C)[C@@H](C)CC#N)cs2)cc1 ZINC000078421639 258065575 /nfs/dbraw/zinc/06/55/75/258065575.db2.gz YGEQZGMCBGYBEY-ZDUSSCGKSA-N 0 0 343.452 3.512 50 30 EHEARN FC(F)(F)C(F)(F)[C@@](F)(I)C(F)(F)F ZINC000095682066 258067317 /nfs/dbraw/zinc/06/73/17/258067317.db2.gz FBJVLVWUMYWJMY-UWTATZPHSA-N 0 0 345.930 3.847 50 30 EHEARN C=CCN(C[C@H]1CC(c2ccc(F)cc2)=NO1)C(=O)CC(C)(C)C ZINC000006874512 518776794 /nfs/dbraw/zinc/77/67/94/518776794.db2.gz SVJIPPKRRNYIRE-MRXNPFEDSA-N 0 0 332.419 3.770 50 30 EHEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)o2)c1C ZINC000002620169 519171120 /nfs/dbraw/zinc/17/11/20/519171120.db2.gz GCCQNKVGYUYETM-UHFFFAOYSA-N 0 0 343.408 3.909 50 30 EHEARN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1O ZINC000004675730 520639755 /nfs/dbraw/zinc/63/97/55/520639755.db2.gz TZXAQGPILHCVSS-YBFXNURJSA-N 0 0 339.420 3.782 50 30 EHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C\c2cccc(OC)c2)c1C ZINC000096792196 521375351 /nfs/dbraw/zinc/37/53/51/521375351.db2.gz RIFLTQDZRAJYJR-KTKRTIGZSA-N 0 0 327.380 3.713 50 30 EHEARN CCn1nc(C)c(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)c1C ZINC000096297235 523621092 /nfs/dbraw/zinc/62/10/92/523621092.db2.gz JBVZCUKZNMJTAX-KHPPLWFESA-N 0 0 337.423 3.543 50 30 EHEARN C[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100043592 525696946 /nfs/dbraw/zinc/69/69/46/525696946.db2.gz HRWGQHSSZRFTGP-REOHCLBHSA-N 0 0 346.111 3.809 50 30 EHEARN Cc1csc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000007195915 526398776 /nfs/dbraw/zinc/39/87/76/526398776.db2.gz GPOWQPPHIYRAED-ZDUSSCGKSA-N 0 0 331.466 3.879 50 30 EHEARN N#CCCn1cc(CNc2ccc3n[nH]cc3c2)c(-c2ccccc2)n1 ZINC000095440147 526467980 /nfs/dbraw/zinc/46/79/80/526467980.db2.gz NVERMVNJPVVILA-UHFFFAOYSA-N 0 0 342.406 3.952 50 30 EHEARN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000096422130 526507404 /nfs/dbraw/zinc/50/74/04/526507404.db2.gz NMGAZUPBJDBNAD-IHRRRGAJSA-N 0 0 346.308 3.960 50 30 EHEARN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000328588718 527556602 /nfs/dbraw/zinc/55/66/02/527556602.db2.gz VNRDDZMDZYMZAH-HLLBOEOZSA-N 0 0 346.475 3.609 50 30 EHEARN CC#CC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000408515934 563993026 /nfs/dbraw/zinc/99/30/26/563993026.db2.gz URTNIFBMRBITKS-NSHDSACASA-N 0 0 334.135 3.582 50 30 EHEARN COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br ZINC000000115987 563231914 /nfs/dbraw/zinc/23/19/14/563231914.db2.gz ILBGPAWARQORSX-UHFFFAOYSA-N 0 0 343.176 3.920 50 30 EHEARN CC(=O)N(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000292489 563273881 /nfs/dbraw/zinc/27/38/81/563273881.db2.gz QGCLRURBMTUZLC-VCHYOVAHSA-N 0 0 331.759 3.982 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1Cc1ccccc1 ZINC000000408674 563307751 /nfs/dbraw/zinc/30/77/51/563307751.db2.gz HQKRQEZGUOQHOU-HNNXBMFYSA-N 0 0 339.435 3.539 50 30 EHEARN O=[N+]([O-])c1ccc(N=NCc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000004183875 563496747 /nfs/dbraw/zinc/49/67/47/563496747.db2.gz OELWFLCBBGTKTN-OVCLIPMQSA-N 0 0 343.324 3.559 50 30 EHEARN CCSc1nc2n(n1)[C@@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000004436189 563502926 /nfs/dbraw/zinc/50/29/26/563502926.db2.gz XKIPGYMJSGZRSG-HNNXBMFYSA-N 0 0 344.415 3.551 50 30 EHEARN O=C(C(=C([O-])c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1)c1ccccc1 ZINC000004671206 563507595 /nfs/dbraw/zinc/50/75/95/563507595.db2.gz HFZYCAGHKPIUHA-UHFFFAOYSA-O 0 0 347.350 3.649 50 30 EHEARN CCCCC1N=NC(=S)N1N=Cc1ccc(N(CC)CC)cc1 ZINC000005836020 563551897 /nfs/dbraw/zinc/55/18/97/563551897.db2.gz ANASJYNMEZNZEG-QGOAFFKASA-N 0 0 331.489 3.638 50 30 EHEARN Cc1ccc(C=NN2C(=S)N=NC2c2cccc(OC(C)C)c2)o1 ZINC000005969433 563556228 /nfs/dbraw/zinc/55/62/28/563556228.db2.gz DVLLZXFYMXLKHR-VCHYOVAHSA-N 0 0 342.424 3.805 50 30 EHEARN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 ZINC000005551709 563618223 /nfs/dbraw/zinc/61/82/23/563618223.db2.gz LKAVHPCBVYWXGW-SXGWCWSVSA-N 0 0 338.388 3.615 50 30 EHEARN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1Br ZINC000032616418 563666446 /nfs/dbraw/zinc/66/64/46/563666446.db2.gz UUWSSLUANWWFQA-UHFFFAOYSA-N 0 0 347.187 3.732 50 30 EHEARN COc1ccc(C[C@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000013477864 563699617 /nfs/dbraw/zinc/69/96/17/563699617.db2.gz HAIDZHYKVBGVMO-OAHLLOKOSA-N 0 0 346.839 3.810 50 30 EHEARN O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@H]1Cc1ccccc1 ZINC000016512591 563813984 /nfs/dbraw/zinc/81/39/84/563813984.db2.gz JVEGATSHNJKBJZ-BKQORJHRSA-N 0 0 343.839 3.504 50 30 EHEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000017016510 563828560 /nfs/dbraw/zinc/82/85/60/563828560.db2.gz LKJJVSLQIRGJRO-INIZCTEOSA-N 0 0 341.794 3.857 50 30 EHEARN C=C(C)CNc1nc(-c2cc3cccc(OC)c3oc2=O)cs1 ZINC000069978557 563893255 /nfs/dbraw/zinc/89/32/55/563893255.db2.gz SNFSIZZLPITYMJ-UHFFFAOYSA-N 0 0 328.393 3.913 50 30 EHEARN N#Cc1c2ccccc2[nH]c1OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000072311110 563918232 /nfs/dbraw/zinc/91/82/32/563918232.db2.gz NYTOOWDVHRGSKN-RDTXWAMCSA-N 0 0 337.423 3.600 50 30 EHEARN C=C(C)C(C)(C)C(=O)N1CCc2onc(-c3ccccc3F)c2C1 ZINC000067966093 563922051 /nfs/dbraw/zinc/92/20/51/563922051.db2.gz JYUQQNGXCLWSBN-UHFFFAOYSA-N 0 0 328.387 3.968 50 30 EHEARN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)[C@@H](C#N)c1ccccn1 ZINC000071892400 563930671 /nfs/dbraw/zinc/93/06/71/563930671.db2.gz YPNDFZDFDGJNNM-HIFRSBDPSA-N 0 0 333.395 3.596 50 30 EHEARN Cc1ccc(CC(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000058232071 563940587 /nfs/dbraw/zinc/94/05/87/563940587.db2.gz ZCZJKWPKCZNSTL-MRXNPFEDSA-N 0 0 343.224 3.681 50 30 EHEARN CCOc1cccc(C(=O)/C=C/c2csc(N(CC)C(C)=O)n2)c1 ZINC000058250366 563940986 /nfs/dbraw/zinc/94/09/86/563940986.db2.gz GAJDWVTXOTZGAR-MDZDMXLPSA-N 0 0 344.436 3.811 50 30 EHEARN C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000058291302 563941890 /nfs/dbraw/zinc/94/18/90/563941890.db2.gz LAXFZGQWOQOLPP-NSHDSACASA-N 0 0 325.334 3.712 50 30 EHEARN N#Cc1cccc(-c2nnc(CSC[C@H](O)c3ccccc3)o2)c1 ZINC000096424873 563952013 /nfs/dbraw/zinc/95/20/13/563952013.db2.gz DEBXOIFSLFZGFB-INIZCTEOSA-N 0 0 337.404 3.575 50 30 EHEARN N#CCCN(C(=O)c1sccc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC000097101960 563967719 /nfs/dbraw/zinc/96/77/19/563967719.db2.gz KAKXEUWSZWWAOV-UHFFFAOYSA-N 0 0 339.464 3.944 50 30 EHEARN CC(C)Oc1ccc(NC(=O)NC[C@@H](C)c2nccs2)cc1C#N ZINC000097113444 563967910 /nfs/dbraw/zinc/96/79/10/563967910.db2.gz LZAZXVOMMJHNCM-GFCCVEGCSA-N 0 0 344.440 3.727 50 30 EHEARN Cc1ccc(C(=O)N[C@H](C#N)c2ccsc2)c(Br)c1 ZINC000097229714 563970667 /nfs/dbraw/zinc/97/06/67/563970667.db2.gz SXFGJDYAVVCNMI-CYBMUJFWSA-N 0 0 335.226 3.814 50 30 EHEARN COCCOc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000098008737 563971064 /nfs/dbraw/zinc/97/10/64/563971064.db2.gz MCGBLJQXSRPBGK-FLIBITNWSA-N 0 0 327.336 3.516 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cccc2cccnc21 ZINC000011296368 563973307 /nfs/dbraw/zinc/97/33/07/563973307.db2.gz FNEGSDSVIJBYAQ-CQSZACIVSA-N 0 0 332.359 3.617 50 30 EHEARN Cc1cc(/C=N/O)c(C)n1-c1ccc(I)cc1 ZINC000100206122 563982409 /nfs/dbraw/zinc/98/24/09/563982409.db2.gz YKTLVLOEGQIJAE-OVCLIPMQSA-N 0 0 340.164 3.507 50 30 EHEARN Cn1c2ccccc2s/c1=N/N=C/c1ccc(Br)cc1 ZINC000100501970 563982651 /nfs/dbraw/zinc/98/26/51/563982651.db2.gz QUEMNXVKRIPZOZ-MBXAUKRDSA-N 0 0 346.253 3.937 50 30 EHEARN Cc1nn(C)cc1C(=O)/C=C/c1ccc(OCc2ccncc2)cc1 ZINC000054806792 563983172 /nfs/dbraw/zinc/98/31/72/563983172.db2.gz UTPFYJCFCLSIIK-VMPITWQZSA-N 0 0 333.391 3.599 50 30 EHEARN N#Cc1cccc(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000014240430 563983669 /nfs/dbraw/zinc/98/36/69/563983669.db2.gz LFQDNTYXKUJMBI-UHFFFAOYSA-N 0 0 343.386 3.590 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)NCc2ccc(Cl)cc2)n1 ZINC000000109470 563986560 /nfs/dbraw/zinc/98/65/60/563986560.db2.gz VNQMOQWRZBKETD-UHFFFAOYSA-N 0 0 345.855 3.632 50 30 EHEARN Cc1c(CCC#N)n2ccccc2c1C(=O)c1ccc2c(c1)OCO2 ZINC000004932941 563992610 /nfs/dbraw/zinc/99/26/10/563992610.db2.gz BUDQVORUSOHNMX-UHFFFAOYSA-N 0 0 332.359 3.664 50 30 EHEARN Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)no1 ZINC000408512845 563992692 /nfs/dbraw/zinc/99/26/92/563992692.db2.gz PQYJLVCCMNROGV-IBGZPJMESA-N 0 0 347.374 3.557 50 30 EHEARN C=C(Cl)CN(C(=O)Cc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000408513916 563992798 /nfs/dbraw/zinc/99/27/98/563992798.db2.gz LUJQJKWHUTZOQV-GOSISDBHSA-N 0 0 326.827 3.893 50 30 EHEARN Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3ccc(O)cc23)n1 ZINC000011865322 563995230 /nfs/dbraw/zinc/99/52/30/563995230.db2.gz YSPVVXUZWQFBKT-UHFFFAOYSA-N 0 0 338.388 3.674 50 30 EHEARN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCOc2cc(O)ccc2C1 ZINC000329187704 563996043 /nfs/dbraw/zinc/99/60/43/563996043.db2.gz QDRVBBFIRCBEMG-BSXFFOKHSA-N 0 0 346.471 3.756 50 30 EHEARN C[C@@H]1CCc2c(sc3ncn(Cc4ccccc4C#N)c(=O)c32)C1 ZINC000005556146 564005307 /nfs/dbraw/zinc/00/53/07/564005307.db2.gz SOOQMMDGMXVEJP-GFCCVEGCSA-N 0 0 335.432 3.503 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000005629344 564006745 /nfs/dbraw/zinc/00/67/45/564006745.db2.gz QUGOJXUTXXPWSM-ZBEGNZNMSA-N 0 0 333.482 3.831 50 30 EHEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3C)C1=O)cn2C ZINC000008765524 564007139 /nfs/dbraw/zinc/00/71/39/564007139.db2.gz ZMGGSOJIOKYFAY-QGMBQPNBSA-N 0 0 335.359 3.817 50 30 biogenic EHEARN CC(=O)OC1=C(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000000500220 564018980 /nfs/dbraw/zinc/01/89/80/564018980.db2.gz RVBNEZAYGVJKHA-UHFFFAOYSA-N 0 0 326.735 3.693 50 30 EHEARN N#C[C@]1(c2nc3ccccc3[nH]2)Cc2ccccc2N2CCCC[C@H]21 ZINC000005694270 564019161 /nfs/dbraw/zinc/01/91/61/564019161.db2.gz RSHQSURFWKZLSY-PZJWPPBQSA-N 0 0 328.419 3.939 50 30 EHEARN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(F)c2)cc1 ZINC000101635365 564019479 /nfs/dbraw/zinc/01/94/79/564019479.db2.gz KBNAPLNJKRGEFY-PXAZEXFGSA-N 0 0 339.370 3.695 50 30 EHEARN COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000102389296 564019991 /nfs/dbraw/zinc/01/99/91/564019991.db2.gz HCPVNVBBHRMJCI-JKIFEVAISA-N 0 0 340.423 3.581 50 30 EHEARN COc1ccc(-c2cc(C#N)nc(Oc3ccc(C#N)cc3)n2)cc1 ZINC000000510379 564020074 /nfs/dbraw/zinc/02/00/74/564020074.db2.gz REQUQMYIFFVASN-UHFFFAOYSA-N 0 0 328.331 3.688 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000000531258 564021639 /nfs/dbraw/zinc/02/16/39/564021639.db2.gz CJHQBGKVZOBKFL-OAHLLOKOSA-N 0 0 347.418 3.751 50 30 EHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(Cl)c1 ZINC000103504663 564022576 /nfs/dbraw/zinc/02/25/76/564022576.db2.gz YXTWQBGRLNIAOQ-AWEZNQCLSA-N 0 0 342.782 3.700 50 30 EHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(C)c1C ZINC000103504710 564022596 /nfs/dbraw/zinc/02/25/96/564022596.db2.gz LKVHIHLOWYXIKC-INIZCTEOSA-N 0 0 336.391 3.663 50 30 EHEARN C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000103590632 564022850 /nfs/dbraw/zinc/02/28/50/564022850.db2.gz XUKHTWTYXCXHAE-IUODEOHRSA-N 0 0 342.345 3.806 50 30 EHEARN CCN(C(C)=O)c1nc(/C=C2\CCc3ccccc3C2=O)cs1 ZINC000045615624 564028544 /nfs/dbraw/zinc/02/85/44/564028544.db2.gz GVXOHPDJIBKFLK-GXDHUFHOSA-N 0 0 326.421 3.728 50 30 EHEARN Cc1cccc(NC(=NC(=O)c2ccccc2)NCc2ccncc2)c1 ZINC000045940001 564028888 /nfs/dbraw/zinc/02/88/88/564028888.db2.gz RRYQTGDLZGGRLM-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN C[C@H](C#N)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 ZINC000005771921 564034488 /nfs/dbraw/zinc/03/44/88/564034488.db2.gz VSNQQSOLTHFYJR-LLVKDONJSA-N 0 0 340.404 3.832 50 30 EHEARN CCN1C=C(C(=O)C=Cc2ccccc2)[C@H](c2ccccc2)NC1=O ZINC000012388922 564049922 /nfs/dbraw/zinc/04/99/22/564049922.db2.gz URIUIAJSCBJEKB-AIGDTVQASA-N 0 0 332.403 3.939 50 30 EHEARN C=CCC(=O)N1CCC[C@@](Cc2cccc(Cl)c2)(C(=O)OCC)C1 ZINC000015069252 564053226 /nfs/dbraw/zinc/05/32/26/564053226.db2.gz BZALPFZAEORDIG-IBGZPJMESA-N 0 0 349.858 3.631 50 30 EHEARN N#Cc1cc(-c2c3ccccn3nc2-c2ccccc2)nnc1Cl ZINC000052537248 564054430 /nfs/dbraw/zinc/05/44/30/564054430.db2.gz PPYYMBQXUOPHSL-UHFFFAOYSA-N 0 0 331.766 3.983 50 30 EHEARN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000366866813 564057451 /nfs/dbraw/zinc/05/74/51/564057451.db2.gz SLMAEVFGJPIWAS-PTKHLAPESA-N 0 0 341.455 3.660 50 30 EHEARN CC(C)(C)c1ccc(NN=C2c3cc([N+](=O)[O-])ccc3NC2=O)cc1 ZINC000003909280 564057915 /nfs/dbraw/zinc/05/79/15/564057915.db2.gz RUCKUTLIKYXVGR-UHFFFAOYSA-N 0 0 338.367 3.661 50 30 EHEARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(C#N)cc1 ZINC000012586968 564060164 /nfs/dbraw/zinc/06/01/64/564060164.db2.gz LDWRWBFFKVHJAL-JLSDUUJJSA-N 0 0 343.423 3.719 50 30 EHEARN CN(C)c1nc(-c2cccnc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000001393391 564064427 /nfs/dbraw/zinc/06/44/27/564064427.db2.gz MNMQMEVVRYQOJH-UHFFFAOYSA-N 0 0 335.798 3.797 50 30 EHEARN CN(C)c1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000001393421 564064625 /nfs/dbraw/zinc/06/46/25/564064625.db2.gz XJZRJHRUKDICIW-UHFFFAOYSA-N 0 0 335.798 3.797 50 30 EHEARN CN(CCC#N)C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC000085603209 564074220 /nfs/dbraw/zinc/07/42/20/564074220.db2.gz NPSYVTICAPBJPM-UHFFFAOYSA-N 0 0 332.310 3.529 50 30 EHEARN C=CCc1cccc2cc(C(=O)Nc3cccc(C(C)=O)c3)c(=O)oc21 ZINC000000281333 564074525 /nfs/dbraw/zinc/07/45/25/564074525.db2.gz GGFTYICVLYBRGI-UHFFFAOYSA-N 0 0 347.370 3.976 50 30 EHEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000002356710 564074826 /nfs/dbraw/zinc/07/48/26/564074826.db2.gz NWFLTWQSUSTBTK-QGZVFWFLSA-N 0 0 331.419 3.587 50 30 EHEARN COc1ccc(O)c(-c2csc(N=NC(C)c3ccccn3)n2)c1 ZINC000043761410 564076185 /nfs/dbraw/zinc/07/61/85/564076185.db2.gz OTKUCHWHKXUMKS-RGVLZGJSSA-N 0 0 340.408 3.755 50 30 EHEARN Cn1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)n1 ZINC000012877419 564076692 /nfs/dbraw/zinc/07/66/92/564076692.db2.gz CIZFJUAYLMKTDO-UHFFFAOYSA-N 0 0 334.404 3.695 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000264506964 564076779 /nfs/dbraw/zinc/07/67/79/564076779.db2.gz WWKGFCFFVOEHQK-IBGZPJMESA-N 0 0 333.435 3.834 50 30 EHEARN N#Cc1cccc(NC(=O)c2ccc(OCc3cscn3)cc2)c1 ZINC000012880352 564077325 /nfs/dbraw/zinc/07/73/25/564077325.db2.gz WHNIYNMGVNVJME-UHFFFAOYSA-N 0 0 335.388 3.846 50 30 EHEARN N#Cc1ccc(N2CCCN(C(=O)c3ccsc3)CC2)cc1Cl ZINC000264710480 564077866 /nfs/dbraw/zinc/07/78/66/564077866.db2.gz SKSPOYSXUHNEKM-UHFFFAOYSA-N 0 0 345.855 3.626 50 30 EHEARN N#CCCN(CC1CC1)c1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000075105783 564080106 /nfs/dbraw/zinc/08/01/06/564080106.db2.gz BKIMNLCELDUEMP-UHFFFAOYSA-N 0 0 347.344 3.687 50 30 EHEARN C[C@H](CC#N)N(C)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000075110259 564080312 /nfs/dbraw/zinc/08/03/12/564080312.db2.gz LQPMPWPYPIVYGQ-MRXNPFEDSA-N 0 0 345.462 3.721 50 30 EHEARN Cn1cc(-c2nc(COc3ccc(C#N)cc3Cl)cs2)cn1 ZINC000053610486 564082135 /nfs/dbraw/zinc/08/21/35/564082135.db2.gz HTMVWQJUZGYPFE-UHFFFAOYSA-N 0 0 330.800 3.648 50 30 EHEARN C=C(C)Cn1c(CCNC(=O)c2cccs2)nc2ccccc21 ZINC000002460914 564082682 /nfs/dbraw/zinc/08/26/82/564082682.db2.gz DKZRQQULMUILKB-UHFFFAOYSA-N 0 0 325.437 3.646 50 30 EHEARN Cc1cc(Br)ccc1NC(=O)CNc1cccc(C#N)c1 ZINC000006250066 564083249 /nfs/dbraw/zinc/08/32/49/564083249.db2.gz MDYHCMOFPNDXPH-UHFFFAOYSA-N 0 0 344.212 3.680 50 30 EHEARN COc1cccc(C(C)=NN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000239009518 564087990 /nfs/dbraw/zinc/08/79/90/564087990.db2.gz ATDIVFCTYGWREE-UHFFFAOYSA-N 0 0 343.858 3.895 50 30 EHEARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253527816 564089494 /nfs/dbraw/zinc/08/94/94/564089494.db2.gz DBPWSSGDRRHUNT-ZVZGYBOSSA-N 0 0 330.468 3.838 50 30 biogenic EHEARN COc1ccc2c(c1)ncc(C#N)c2Nc1ccc(OC)c(OC)c1 ZINC000064438699 564091294 /nfs/dbraw/zinc/09/12/94/564091294.db2.gz COBWWGVVQTVZTC-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN Cc1oc(-c2ccsc2)nc1CC(=O)N(CC#N)c1ccccc1 ZINC000089548251 564092824 /nfs/dbraw/zinc/09/28/24/564092824.db2.gz YEXQVTRTMFDTEH-UHFFFAOYSA-N 0 0 337.404 3.811 50 30 EHEARN Cc1cc(C)n(-c2cc(N=NC(C)c3ccc(C)cc3)nc(C)n2)n1 ZINC000004454718 564093117 /nfs/dbraw/zinc/09/31/17/564093117.db2.gz KFZKCVZTKRBCHE-PXLXIMEGSA-N 0 0 334.427 3.732 50 30 EHEARN N#Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000036391071 564100537 /nfs/dbraw/zinc/10/05/37/564100537.db2.gz UENSDPAWSOJRPM-UHFFFAOYSA-N 0 0 345.280 3.623 50 30 EHEARN C[C@H](C#N)Sc1nnc(N2CCCC2)n1-c1ccccc1Cl ZINC000006994401 564102735 /nfs/dbraw/zinc/10/27/35/564102735.db2.gz WGSFNSBYQQPQSF-LLVKDONJSA-N 0 0 333.848 3.525 50 30 EHEARN C[C@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000007004064 564102938 /nfs/dbraw/zinc/10/29/38/564102938.db2.gz DYUUZPCWQQGXJC-HNNXBMFYSA-N 0 0 334.423 3.598 50 30 EHEARN Cc1nc(S[C@@H](C)C(=O)N2CCCCCC2)c(C#N)c(C)c1C ZINC000007188856 564105659 /nfs/dbraw/zinc/10/56/59/564105659.db2.gz UQITXEFICNEUBF-HNNXBMFYSA-N 0 0 331.485 3.762 50 30 EHEARN CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266949 564106130 /nfs/dbraw/zinc/10/61/30/564106130.db2.gz SQHLDMLCLOJAFO-AWEZNQCLSA-N 0 0 339.464 3.739 50 30 EHEARN COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1Cl ZINC000007389762 564107727 /nfs/dbraw/zinc/10/77/27/564107727.db2.gz ANCOTMVMAAMPAE-NSHDSACASA-N 0 0 329.787 3.659 50 30 EHEARN Cc1c(C(=O)N(CCC#N)[C@@H](C)C2CC2)cnn1-c1ccccc1C ZINC000065588309 564107869 /nfs/dbraw/zinc/10/78/69/564107869.db2.gz RIQXWCVBDOMKFW-HNNXBMFYSA-N 0 0 336.439 3.644 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000007543037 564110230 /nfs/dbraw/zinc/11/02/30/564110230.db2.gz VFKLUFDHWIFWSX-MRXNPFEDSA-N 0 0 349.409 3.878 50 30 EHEARN N#Cc1cccc(NC(=O)N2CC(Oc3ccccc3Cl)C2)c1 ZINC000089814450 564114003 /nfs/dbraw/zinc/11/40/03/564114003.db2.gz QBDUIIKIMKVUNQ-UHFFFAOYSA-N 0 0 327.771 3.507 50 30 EHEARN COc1ccc(CS(=O)(=O)[C@@H]2CCCc3ccccc32)cc1C#N ZINC000161180593 564118809 /nfs/dbraw/zinc/11/88/09/564118809.db2.gz ZDNZUPLEBTUBGS-LJQANCHMSA-N 0 0 341.432 3.559 50 30 EHEARN Cc1ccc(S(=O)(=O)O[C@H](C)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003132953 564119153 /nfs/dbraw/zinc/11/91/53/564119153.db2.gz KDAJYOXGEHWABT-ZIAGYGMSSA-N 0 0 349.408 3.801 50 30 EHEARN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ccc(F)c(C#N)c1 ZINC000252503302 564119872 /nfs/dbraw/zinc/11/98/72/564119872.db2.gz VATRUQNABFRPGX-ZDUSSCGKSA-N 0 0 343.427 3.654 50 30 EHEARN C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCOC[C@H]2C)c1 ZINC000194284514 564120478 /nfs/dbraw/zinc/12/04/78/564120478.db2.gz YOQGUGZJMBXYCS-BEFAXECRSA-N 0 0 339.460 3.935 50 30 EHEARN CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O ZINC000252614657 564122033 /nfs/dbraw/zinc/12/20/33/564122033.db2.gz JLNZFJGWRCFSIP-UHFFFAOYSA-N 0 0 329.831 3.592 50 30 EHEARN CCN(CC)C(=S)SCC(=O)Nc1cc(Cl)ccc1C#N ZINC000007704690 564122117 /nfs/dbraw/zinc/12/21/17/564122117.db2.gz BKJWKOWEJXWNOO-UHFFFAOYSA-N 0 0 341.889 3.510 50 30 EHEARN C=CCn1c(SCc2ccnc(N)c2)nnc1-c1ccccc1C ZINC000195501625 564123534 /nfs/dbraw/zinc/12/35/34/564123534.db2.gz PYNSLCMFIXSDPR-UHFFFAOYSA-N 0 0 337.452 3.709 50 30 EHEARN Cc1nc(C(=O)N[C@@H](C#N)c2ccccc2F)c(-c2ccccc2)o1 ZINC000195562814 564123786 /nfs/dbraw/zinc/12/37/86/564123786.db2.gz UHQYNVDJLOHXQO-INIZCTEOSA-N 0 0 335.338 3.784 50 30 EHEARN Cc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3Cl)S2)n1 ZINC000002321773 564132318 /nfs/dbraw/zinc/13/23/18/564132318.db2.gz MSMIAMFXXCCSJH-CYBMUJFWSA-N 0 0 331.828 3.505 50 30 EHEARN Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccccc2C)cc1 ZINC000002345078 564132405 /nfs/dbraw/zinc/13/24/05/564132405.db2.gz WPYHUHAZQBEUES-UCLIPEMJSA-N 0 0 337.448 3.769 50 30 EHEARN N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000144029 564132923 /nfs/dbraw/zinc/13/29/23/564132923.db2.gz NYAQPHGTJMHADU-UHFFFAOYSA-N 0 0 333.303 3.979 50 30 EHEARN COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(C#N)cc3)noc1-2 ZINC000000426648 564133219 /nfs/dbraw/zinc/13/32/19/564133219.db2.gz RWZYMGFJVRAGES-UHFFFAOYSA-N 0 0 345.358 3.573 50 30 EHEARN N#Cc1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000537466 564133405 /nfs/dbraw/zinc/13/34/05/564133405.db2.gz MCEAOUMMHCELFL-UHFFFAOYSA-N 0 0 333.303 3.979 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 ZINC000077539966 564134301 /nfs/dbraw/zinc/13/43/01/564134301.db2.gz ZAEBUUYLRQFWPJ-OAHLLOKOSA-N 0 0 338.382 3.629 50 30 EHEARN Cc1ccc([C@@H](NC(=O)CSc2cc(C#N)ccn2)C2CC2)cc1 ZINC000078754239 564134554 /nfs/dbraw/zinc/13/45/54/564134554.db2.gz ZUBIJHIRINTWBB-LJQANCHMSA-N 0 0 337.448 3.621 50 30 EHEARN N#Cc1c2c(sc1NC(=O)c1ccn(-c3ccccc3)n1)CCC2 ZINC000078764042 564134567 /nfs/dbraw/zinc/13/45/67/564134567.db2.gz BVDQRGUARZTOII-UHFFFAOYSA-N 0 0 334.404 3.546 50 30 EHEARN COc1cc(-c2cc(-c3cc(C)c(C)o3)c(C#N)c(N)n2)ccc1O ZINC000067692689 564134897 /nfs/dbraw/zinc/13/48/97/564134897.db2.gz AHTCMKTZRCQSIJ-UHFFFAOYSA-N 0 0 335.363 3.794 50 30 EHEARN N#Cc1cccc(N2CCC(c3n[nH]cc3-c3ccccc3)CC2)n1 ZINC000067771201 564134907 /nfs/dbraw/zinc/13/49/07/564134907.db2.gz KEQVPIPTJFGYBS-UHFFFAOYSA-N 0 0 329.407 3.727 50 30 EHEARN C[C@H](c1ccc(-c2nc3c(cc2C#N)CCCC3)cc1)N1CCOCC1 ZINC000426489663 564135086 /nfs/dbraw/zinc/13/50/86/564135086.db2.gz OFDLNZFBMDGJGO-MRXNPFEDSA-N 0 0 347.462 3.892 50 30 EHEARN C[C@H](Nc1cccc(OCCCC#N)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000079029687 564137683 /nfs/dbraw/zinc/13/76/83/564137683.db2.gz WWXAWSHVMGWKAB-AWEZNQCLSA-N 0 0 348.406 3.779 50 30 EHEARN CCCNC(=O)Nc1cccc(Oc2ncc(C#N)cc2Cl)c1 ZINC000079353944 564138126 /nfs/dbraw/zinc/13/81/26/564138126.db2.gz HWGDSSGWLSPHRJ-UHFFFAOYSA-N 0 0 330.775 3.930 50 30 EHEARN N#CCC(=O)N[C@@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000390834179 564138891 /nfs/dbraw/zinc/13/88/91/564138891.db2.gz UBLPZWDQDKFZCK-INIZCTEOSA-N 0 0 336.288 3.964 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC3CCC3)C2)cc1 ZINC000095353205 564139212 /nfs/dbraw/zinc/13/92/12/564139212.db2.gz DBJAEHPCYJJWPI-LJQANCHMSA-N 0 0 348.450 3.575 50 30 EHEARN COc1cc(F)c(C(=O)N(CCC#N)c2ccc(C)cc2)cc1OC ZINC000095414039 564139707 /nfs/dbraw/zinc/13/97/07/564139707.db2.gz XXHMSURBHGIUHV-UHFFFAOYSA-N 0 0 342.370 3.712 50 30 EHEARN N#Cc1ccc(CNC(=O)N(Cc2ccccc2)CC(F)F)c(F)c1 ZINC000095413452 564139719 /nfs/dbraw/zinc/13/97/19/564139719.db2.gz HIFXVBWLMVPXBW-UHFFFAOYSA-N 0 0 347.340 3.674 50 30 EHEARN C[C@@H]1CC(C)(C)N(CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc21 ZINC000095466727 564141026 /nfs/dbraw/zinc/14/10/26/564141026.db2.gz FWZBOWRKSIILRH-VLIAUNLRSA-N 0 0 325.456 3.587 50 30 EHEARN C#CCN(C(=O)/C=C\c1ccc(OC)c(OCC)c1)C1CCCCC1 ZINC000096102429 564145227 /nfs/dbraw/zinc/14/52/27/564145227.db2.gz SPBZVYNVJQQGDK-OWBHPGMISA-N 0 0 341.451 3.902 50 30 EHEARN N#Cc1cccc(OC(=O)/C=C\c2c(Cl)nc3sccn23)c1 ZINC000096117662 564145470 /nfs/dbraw/zinc/14/54/70/564145470.db2.gz DQYOAKGFEWIPGF-PLNGDYQASA-N 0 0 329.768 3.540 50 30 EHEARN CCOC(=O)CCc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000096416514 564147806 /nfs/dbraw/zinc/14/78/06/564147806.db2.gz AYLWTFHOYFOUKQ-UHFFFAOYSA-N 0 0 336.391 3.501 50 30 EHEARN COc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1N1CCCC1=O ZINC000096436952 564148062 /nfs/dbraw/zinc/14/80/62/564148062.db2.gz GNBICHNDUKWHBI-AWEZNQCLSA-N 0 0 335.407 3.867 50 30 EHEARN Cc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)o1 ZINC000002744290 564152356 /nfs/dbraw/zinc/15/23/56/564152356.db2.gz JRRZSTSPNOYVOE-UHFFFAOYSA-N 0 0 332.381 3.647 50 30 EHEARN Cc1cc(NC(=O)COc2ccc(C#N)cc2)ccc1Br ZINC000003418067 564158029 /nfs/dbraw/zinc/15/80/29/564158029.db2.gz VHHCBNDWZXVFMU-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN N#Cc1ccccc1COC(=O)/C=C/c1ccc(Br)o1 ZINC000003445763 564158180 /nfs/dbraw/zinc/15/81/80/564158180.db2.gz UOANHHLPHDLBNT-SOFGYWHQSA-N 0 0 332.153 3.670 50 30 EHEARN COC(=O)c1sccc1NN=Cc1ccc(Br)s1 ZINC000003909676 564159692 /nfs/dbraw/zinc/15/96/92/564159692.db2.gz NELSZZHODDERMO-AWNIVKPZSA-N 0 0 345.243 3.805 50 30 EHEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007977315 564161655 /nfs/dbraw/zinc/16/16/55/564161655.db2.gz TZPVTAKUAOUMJL-LLVKDONJSA-N 0 0 334.297 3.983 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1 ZINC000008599035 564165989 /nfs/dbraw/zinc/16/59/89/564165989.db2.gz YRTYGGFFWHVRDY-UHFFFAOYSA-N 0 0 331.379 3.670 50 30 EHEARN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc(C#N)c1 ZINC000040108450 564168136 /nfs/dbraw/zinc/16/81/36/564168136.db2.gz VZNCWRMQCXKCJL-LBPRGKRZSA-N 0 0 343.224 3.682 50 30 EHEARN CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000069583779 564170669 /nfs/dbraw/zinc/17/06/69/564170669.db2.gz GSJMLLFHPUBGLN-ZWNOBZJWSA-N 0 0 331.803 3.579 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NCC(=O)NC1CCCCC1 ZINC000069737248 564171786 /nfs/dbraw/zinc/17/17/86/564171786.db2.gz ZFPPYOAKCFRDGC-AWEZNQCLSA-N 0 0 331.485 3.799 50 30 EHEARN O=c1[nH]ncc(NN=Cc2cccc(Oc3ccccc3)c2)c1Cl ZINC000009359949 564172913 /nfs/dbraw/zinc/17/29/13/564172913.db2.gz XGRNBZJDUTYKRV-VXLYETTFSA-N 0 0 340.770 3.662 50 30 EHEARN COc1ccc2cc(C#N)c(N3CCO[C@@H](c4ccccc4)C3)nc2c1 ZINC000041194142 564173615 /nfs/dbraw/zinc/17/36/15/564173615.db2.gz UQQIQWZORUNQJY-HXUWFJFHSA-N 0 0 345.402 3.693 50 30 EHEARN Cc1ccc(-c2ocnc2C(=O)OC[C@@H](C#N)Cc2ccco2)cc1 ZINC000076912118 564176540 /nfs/dbraw/zinc/17/65/40/564176540.db2.gz UFDQPJHNRVPRIJ-CQSZACIVSA-N 0 0 336.347 3.782 50 30 EHEARN COCCC/N=C1\SCC(c2ccc(C(C)(C)C)cc2)=NN1C ZINC000104380923 1018451324 /nfs/dbraw/zinc/45/13/24/1018451324.db2.gz AKPZMVRAKCYOOQ-ZPHPHTNESA-N 0 0 333.501 3.759 50 30 EHEARN C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000340435680 1023142162 /nfs/dbraw/zinc/14/21/62/1023142162.db2.gz UXZARZGWKLWFQM-UQRISPGASA-N 0 0 343.386 3.956 50 30 EHEARN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ncoc1C1CC1)C(F)(F)F ZINC000328924649 1037777965 /nfs/dbraw/zinc/77/79/65/1037777965.db2.gz VOICRXASIHCMCR-CYBMUJFWSA-N 0 0 342.321 3.511 50 30 EHEARN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccoc1 ZINC000425091941 1043097213 /nfs/dbraw/zinc/09/72/13/1043097213.db2.gz YQTIUXGLZNGHCH-LBPRGKRZSA-N 0 0 336.313 3.782 50 30 EHEARN N#CC1(C(=O)Nc2nsc(-c3ccccc3Cl)n2)CCCC1 ZINC000584908761 1136859871 /nfs/dbraw/zinc/85/98/71/1136859871.db2.gz FRVCLKURTCLHQI-UHFFFAOYSA-N 0 0 332.816 3.881 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)N=N1 ZINC000952880733 1137483256 /nfs/dbraw/zinc/48/32/56/1137483256.db2.gz KZPQHHFPMLQJBK-HXUWFJFHSA-N 0 0 346.434 3.951 50 30 EHEARN COc1cc(/C=C2/CCOc3c(C)cccc3C2=O)ccc1OCC#N ZINC000205856079 1137503422 /nfs/dbraw/zinc/50/34/22/1137503422.db2.gz IKFIMTYXANJPFH-VBKFSLOCSA-N 0 0 349.386 3.955 50 30 EHEARN C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000004704779 210255091 /nfs/dbraw/zinc/25/50/91/210255091.db2.gz XDMUGGSDOZLKNG-AQTBWJFISA-N 0 0 346.386 3.513 50 30 EHEARN C=CCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C)C1CCCC1 ZINC000055801965 214341989 /nfs/dbraw/zinc/34/19/89/214341989.db2.gz FUFNFOZKNXSZLA-UHFFFAOYSA-N 0 0 340.471 3.971 50 30 EHEARN C=CCn1c(=O)oc2ccc(C(=O)NC3CCCCCCC3)cc21 ZINC000064894593 214813853 /nfs/dbraw/zinc/81/38/53/214813853.db2.gz ZXLDMMVJHVBLTF-UHFFFAOYSA-N 0 0 328.412 3.623 50 30 EHEARN COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000004276695 210159940 /nfs/dbraw/zinc/15/99/40/210159940.db2.gz OYCXONLNNCKOQR-BQYQJAHWSA-N 0 0 343.335 3.517 50 30 EHEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccccn1 ZINC000004271789 210156492 /nfs/dbraw/zinc/15/64/92/210156492.db2.gz CXDFGCDSDWYBPS-UHFFFAOYSA-N 0 0 348.431 3.751 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccccc1Br)CCCC2 ZINC000019772565 202019477 /nfs/dbraw/zinc/01/94/77/202019477.db2.gz BRXMPNKDORYSKE-UHFFFAOYSA-N 0 0 328.213 3.844 50 30 EHEARN CCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000019833135 202022135 /nfs/dbraw/zinc/02/21/35/202022135.db2.gz LZIYGQHDKZZEKI-CJLVFECKSA-N 0 0 337.467 3.545 50 30 EHEARN C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000022608037 202088272 /nfs/dbraw/zinc/08/82/72/202088272.db2.gz WIPWTIYHQPDTJC-AYVTZFPOSA-N 0 0 349.221 3.853 50 30 EHEARN Cc1cc(C(=O)Nc2ccc(OCC#N)cc2)c(C)n1-c1ccccn1 ZINC000023192680 202100096 /nfs/dbraw/zinc/10/00/96/202100096.db2.gz HXVSKHSYIHASRB-UHFFFAOYSA-N 0 0 346.390 3.644 50 30 EHEARN N#Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000023200731 202100413 /nfs/dbraw/zinc/10/04/13/202100413.db2.gz YEZDUQVBFIFRHN-UHFFFAOYSA-N 0 0 331.331 3.656 50 30 EHEARN O=C(/C=C/c1ccccn1)c1cccc(C(=O)/C=C/c2ccccn2)n1 ZINC000025692403 202135743 /nfs/dbraw/zinc/13/57/43/202135743.db2.gz NGGVFRIXCHUARL-DCIPZJNNSA-N 0 0 341.370 3.664 50 30 EHEARN COc1cc(C#N)ccc1OCCCC(=O)NC1CCCCCCC1 ZINC000040107303 202169124 /nfs/dbraw/zinc/16/91/24/202169124.db2.gz HXJUDWBGYABBOW-UHFFFAOYSA-N 0 0 344.455 3.955 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1NCCNc1nc2ccccc2s1 ZINC000030587677 202196795 /nfs/dbraw/zinc/19/67/95/202196795.db2.gz SYMSQUAUDLSNKD-UHFFFAOYSA-N 0 0 339.380 3.600 50 30 EHEARN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000032829676 202237728 /nfs/dbraw/zinc/23/77/28/202237728.db2.gz BWSCDFMRQOVQMJ-HNNXBMFYSA-N 0 0 328.759 3.856 50 30 EHEARN CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1ccccc1F)CC2 ZINC000032899670 202240015 /nfs/dbraw/zinc/24/00/15/202240015.db2.gz QYDDWKRTJMFWJD-JLHYYAGUSA-N 0 0 327.355 3.851 50 30 EHEARN CN(C)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000033293483 202256408 /nfs/dbraw/zinc/25/64/08/202256408.db2.gz UZLQIUWEJNAISS-LFIBNONCSA-N 0 0 341.411 3.783 50 30 EHEARN N#Cc1ccccc1-c1ccc(CN2CCc3cncnc3C2)cc1 ZINC000069700043 202291684 /nfs/dbraw/zinc/29/16/84/202291684.db2.gz GLSDMQLRQYDOTM-UHFFFAOYSA-N 0 0 326.403 3.574 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000036874916 202333069 /nfs/dbraw/zinc/33/30/69/202333069.db2.gz DRLREVSELTUHIK-AWEZNQCLSA-N 0 0 347.768 3.825 50 30 EHEARN N#CC(=C([O-])c1cn2ccccc2[nH+]1)c1nc(-c2ccccc2)cs1 ZINC000072271113 216094608 /nfs/dbraw/zinc/09/46/08/216094608.db2.gz KMRDZXBSYRFVRB-CQSZACIVSA-N 0 0 344.399 3.948 50 30 EHEARN Cc1csc([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)n1 ZINC000072298959 202362761 /nfs/dbraw/zinc/36/27/61/202362761.db2.gz SCPYGWYWDXRDAU-QGZVFWFLSA-N 0 0 339.464 3.662 50 30 EHEARN N#Cc1cnc2ccc(Cl)cc2c1NCCCOC1CCOCC1 ZINC000078339041 202390299 /nfs/dbraw/zinc/39/02/99/202390299.db2.gz ZSACQMPIHVBLRO-UHFFFAOYSA-N 0 0 345.830 3.757 50 30 EHEARN OCC#Cc1ccc(-c2nccn2-c2ccc3ncsc3c2)s1 ZINC000072424599 216215425 /nfs/dbraw/zinc/21/54/25/216215425.db2.gz RJOYCZPMCIJJNV-UHFFFAOYSA-N 0 0 337.429 3.554 50 30 EHEARN COc1ccc(/C=C2\Oc3c(ccc4c3CN(C3CC3)CO4)C2=O)cc1 ZINC000012442504 201364828 /nfs/dbraw/zinc/36/48/28/201364828.db2.gz ZJYXGSWPCQSMRG-GRSHGNNSSA-N 0 0 349.386 3.626 50 30 EHEARN COc1ccc(/C=C2\Oc3c(ccc(OC)c3C)C2=O)c(OC)c1 ZINC000012876227 201365025 /nfs/dbraw/zinc/36/50/25/201365025.db2.gz QWCRALIAPGBZHO-MFOYZWKCSA-N 0 0 326.348 3.637 50 30 biogenic EHEARN COc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1NC(C)=O ZINC000096291774 201375688 /nfs/dbraw/zinc/37/56/88/201375688.db2.gz KCIADOBPLGKCHS-FPLPWBNLSA-N 0 0 331.318 3.828 50 30 EHEARN C=CCNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000022475308 212300979 /nfs/dbraw/zinc/30/09/79/212300979.db2.gz AORAYDDARXEOGE-UHFFFAOYSA-N 0 0 326.343 3.674 50 30 EHEARN Cc1sc2nc(C)n(/N=C/c3ccccc3Cl)c(=O)c2c1C ZINC000000295562 201458400 /nfs/dbraw/zinc/45/84/00/201458400.db2.gz GESRNZGYGJUASQ-QGMBQPNBSA-N 0 0 331.828 3.919 50 30 EHEARN COc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1OC ZINC000000540366 201484368 /nfs/dbraw/zinc/48/43/68/201484368.db2.gz ZKMSQFNCYCQUPB-UHFFFAOYSA-N 0 0 327.384 3.611 50 30 EHEARN O=[N+]([O-])c1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1 ZINC000000731195 201492164 /nfs/dbraw/zinc/49/21/64/201492164.db2.gz PBCDDQUKROZIRP-CXUHLZMHSA-N 0 0 334.788 3.569 50 30 EHEARN Cc1noc(C)c1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000060528336 202782636 /nfs/dbraw/zinc/78/26/36/202782636.db2.gz PUTXDVNQWUYKHY-UHFFFAOYSA-N 0 0 329.425 3.675 50 30 EHEARN Cc1nn(C)c(C)c1/C=C\C(=O)Nc1ccccc1SCCC#N ZINC000221745928 241473176 /nfs/dbraw/zinc/47/31/76/241473176.db2.gz RHORGPWXRYMPBQ-KTKRTIGZSA-N 0 0 340.452 3.695 50 30 EHEARN CCOc1ccccc1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000003412509 201570055 /nfs/dbraw/zinc/57/00/55/201570055.db2.gz LWLHKSZWKBQNME-UHFFFAOYSA-N 0 0 329.787 3.661 50 30 EHEARN CC(N=Nc1ncc(-c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000004713098 201613273 /nfs/dbraw/zinc/61/32/73/201613273.db2.gz TZIPHPPIPBMJLB-FYJGNVAPSA-N 0 0 333.351 3.888 50 30 EHEARN COc1ccc(-c2c3c(n[nH]c3-c3ccccc3)nc(N)c2C#N)cc1 ZINC000005489878 201652867 /nfs/dbraw/zinc/65/28/67/201652867.db2.gz LFABFPUTSBLEHN-UHFFFAOYSA-N 0 0 341.374 3.754 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000005728226 201661388 /nfs/dbraw/zinc/66/13/88/201661388.db2.gz PKPQUPRPPZPZET-OAHLLOKOSA-N 0 0 345.757 3.687 50 30 EHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2F)NC(=O)N1 ZINC000005786972 201662466 /nfs/dbraw/zinc/66/24/66/201662466.db2.gz HAJCKOJJUCKKJJ-MRXNPFEDSA-N 0 0 344.773 3.990 50 30 EHEARN CC(C)n1c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2oc1=O ZINC000065138306 202825864 /nfs/dbraw/zinc/82/58/64/202825864.db2.gz QEVFCZZXJLCYOI-UHFFFAOYSA-N 0 0 346.346 3.764 50 30 EHEARN CC(C)N(Cc1cccnc1)C(=O)CCSc1ccc(C#N)cc1 ZINC000069493661 203009964 /nfs/dbraw/zinc/00/99/64/203009964.db2.gz FCOJPVRJJCXNFS-UHFFFAOYSA-N 0 0 339.464 3.873 50 30 EHEARN COc1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000069519138 203012609 /nfs/dbraw/zinc/01/26/09/203012609.db2.gz LVNBLSXWXAFLQC-NYYWCZLTSA-N 0 0 337.419 3.552 50 30 EHEARN N#Cc1cn(Cc2ccc(OC(F)F)cc2)c2ccccc2c1=O ZINC000069557846 203018721 /nfs/dbraw/zinc/01/87/21/203018721.db2.gz LZCBTMWWSNGNMX-UHFFFAOYSA-N 0 0 326.302 3.523 50 30 EHEARN N#Cc1c(N)nc(-c2cnn(-c3ccc(F)cc3)c2)cc1-c1ccoc1 ZINC000071730543 203105088 /nfs/dbraw/zinc/10/50/88/203105088.db2.gz VQTNBNLYZCQDNJ-UHFFFAOYSA-N 0 0 345.337 3.787 50 30 EHEARN CCn1cc(-c2cc(-c3c[nH]c(C)n3)c(C#N)c(N)n2)c2ccccc21 ZINC000071749764 203106195 /nfs/dbraw/zinc/10/61/95/203106195.db2.gz YKSACQHSZBJEFS-UHFFFAOYSA-N 0 0 342.406 3.876 50 30 EHEARN N#Cc1cccc(-c2nccn2Cc2cnn(-c3ccc(F)cc3)c2)c1 ZINC000071752755 203107437 /nfs/dbraw/zinc/10/74/37/203107437.db2.gz HHAFYXISZZMQSO-UHFFFAOYSA-N 0 0 343.365 3.795 50 30 EHEARN COc1ccc2c(-c3cc(-c4cc[nH]c4)nc(N)c3C#N)cn(C)c2c1 ZINC000071754619 203107938 /nfs/dbraw/zinc/10/79/38/203107938.db2.gz LBODXGPVEHJOMF-UHFFFAOYSA-N 0 0 343.390 3.698 50 30 EHEARN COc1ccc(CNc2cc(C#N)c3ccccc3n2)cc1NC(C)=O ZINC000072290348 203193409 /nfs/dbraw/zinc/19/34/09/203193409.db2.gz PXDTVVILZPXOJZ-UHFFFAOYSA-N 0 0 346.390 3.686 50 30 EHEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCCCn1ccnc1 ZINC000096346257 203890563 /nfs/dbraw/zinc/89/05/63/203890563.db2.gz BVJCPUOLMPKJCZ-HZPDHXFCSA-N 0 0 333.395 3.516 50 30 EHEARN O=C1C[C@@H](c2ccccc2Cl)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000101625684 204014167 /nfs/dbraw/zinc/01/41/67/204014167.db2.gz PKAWMYJIBMQCEE-ZDUSSCGKSA-N 0 0 338.746 3.704 50 30 EHEARN Cc1cc(NC(=O)[C@@H](C)ON=C2c3ccccc3-c3ccccc32)no1 ZINC000015393423 211821200 /nfs/dbraw/zinc/82/12/00/211821200.db2.gz SLBJTYFECHFMBU-CYBMUJFWSA-N 0 0 347.374 3.760 50 30 EHEARN C=CCOC(=O)c1sc2nc(-c3ccc(OC)c(F)c3)cn2c1C ZINC000015228484 211809086 /nfs/dbraw/zinc/80/90/86/211809086.db2.gz FXLHEQURCFELCN-UHFFFAOYSA-N 0 0 346.383 3.862 50 30 EHEARN N#CCCN(C(=O)/C=C/c1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000133774994 205376667 /nfs/dbraw/zinc/37/66/67/205376667.db2.gz MCCBNOVMLCVAGJ-SNAWJCMRSA-N 0 0 335.451 3.806 50 30 EHEARN CCNC(=S)N=NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000006205762 205800090 /nfs/dbraw/zinc/80/00/90/205800090.db2.gz CSWNRBYLKJZVOT-RGVLZGJSSA-N 0 0 331.416 3.634 50 30 EHEARN C=CCCC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000011879827 211264476 /nfs/dbraw/zinc/26/44/76/211264476.db2.gz XENZBSWZNYDOFN-HNNXBMFYSA-N 0 0 330.476 3.699 50 30 EHEARN C=C(C)CN(CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000095397345 218329712 /nfs/dbraw/zinc/32/97/12/218329712.db2.gz WENHNRSCUJUSBQ-OAHLLOKOSA-N 0 0 331.485 3.917 50 30 EHEARN Cc1cc(C(=O)C(C#N)=NNc2cccc(Cl)c2)n(C(C)(C)C)n1 ZINC000000122922 258047431 /nfs/dbraw/zinc/04/74/31/258047431.db2.gz RYSXDMWRJFSVDO-KGENOOAVSA-N 0 0 343.818 3.774 50 30 EHEARN C[C@H](CO)[C@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000328598539 258042084 /nfs/dbraw/zinc/04/20/84/258042084.db2.gz MTTMZISXRGYCKQ-QPSCCSFWSA-N 0 0 342.480 3.638 50 30 EHEARN COc1cccc(F)c1NC(=O)N1CCC(c2nccs2)CC1 ZINC000328595504 258043028 /nfs/dbraw/zinc/04/30/28/258043028.db2.gz WTLOCXVHZYSZJD-UHFFFAOYSA-N 0 0 335.404 3.716 50 30 EHEARN Fc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000243892625 258000620 /nfs/dbraw/zinc/00/06/20/258000620.db2.gz AJSRKARIJFFVLH-UHFFFAOYSA-N 0 0 331.822 3.631 50 30 EHEARN C=C(C)[C@@H](NC(=O)N[C@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1 ZINC000369007250 258001745 /nfs/dbraw/zinc/00/17/45/258001745.db2.gz CTRVWEJSRLDCCT-JKSUJKDBSA-N 0 0 346.381 3.682 50 30 EHEARN NC(=O)CCCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000330033237 258002136 /nfs/dbraw/zinc/00/21/36/258002136.db2.gz XZVNBMUHZBFHJJ-UHFFFAOYSA-N 0 0 335.148 3.542 50 30 EHEARN Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccoc2Br)c1 ZINC000330032492 258002668 /nfs/dbraw/zinc/00/26/68/258002668.db2.gz OBROYSUIXRFOTH-ZDUSSCGKSA-N 0 0 338.201 3.697 50 30 EHEARN C=CCNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 ZINC000002875388 258046959 /nfs/dbraw/zinc/04/69/59/258046959.db2.gz SZTDUBSLIMHNTL-UHFFFAOYSA-N 0 0 329.787 3.900 50 30 EHEARN C=CCN(Cc1ccccc1OC)C(=O)c1cc2ccccc2oc1=O ZINC000055042164 258014901 /nfs/dbraw/zinc/01/49/01/258014901.db2.gz KVBQIFNJVIQLFS-UHFFFAOYSA-N 0 0 349.386 3.630 50 30 EHEARN N#Cc1ccccc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000025186214 258057633 /nfs/dbraw/zinc/05/76/33/258057633.db2.gz MHCPGDLTZUXCLD-UHFFFAOYSA-N 0 0 345.446 3.615 50 30 EHEARN C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000095410868 258066836 /nfs/dbraw/zinc/06/68/36/258066836.db2.gz USURSMCKCMEPBB-AWEZNQCLSA-N 0 0 334.379 3.826 50 30 EHEARN Cc1cccc(C)c1Oc1cc(C#N)c(C#N)cc1N1CCOCC1 ZINC000000556269 135652453 /nfs/dbraw/zinc/65/24/53/135652453.db2.gz FFHQUXYAPKNEDP-UHFFFAOYSA-N 0 0 333.391 3.676 50 30 EHEARN CC(C)CN1CCCc2cc(C=C3NC(=S)SC3=O)ccc21 ZINC000001393699 135654924 /nfs/dbraw/zinc/65/49/24/135654924.db2.gz PBGJPGVIXNLPTD-NTEUORMPSA-N 0 0 332.494 3.584 50 30 EHEARN Cc1nnc(N2CCC(c3nc4ccccc4s3)CC2)c(C#N)c1C ZINC000024053680 135731213 /nfs/dbraw/zinc/73/12/13/135731213.db2.gz FHFCIZGTWJDIHP-UHFFFAOYSA-N 0 0 349.463 3.959 50 30 EHEARN C=CCN(C[C@@H]1CC(c2ccc(F)cc2)=NO1)C(=O)C1CCCC1 ZINC000006874513 518773685 /nfs/dbraw/zinc/77/36/85/518773685.db2.gz SGUQJFCBHDAHOB-KRWDZBQOSA-N 0 0 330.403 3.524 50 30 EHEARN C=CCN(CCc1ccccc1)C(=O)CCCc1nc(CCC)no1 ZINC000058344279 518773758 /nfs/dbraw/zinc/77/37/58/518773758.db2.gz XUZDUQZQDMDIRH-UHFFFAOYSA-N 0 0 341.455 3.602 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1 ZINC000004843374 518798689 /nfs/dbraw/zinc/79/86/89/518798689.db2.gz CDAVSTUZIWFPJU-UHFFFAOYSA-N 0 0 334.379 3.957 50 30 EHEARN C=CCc1ccccc1OCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000055368888 519143902 /nfs/dbraw/zinc/14/39/02/519143902.db2.gz AXNHQSBYWYUZKC-UHFFFAOYSA-N 0 0 325.408 3.624 50 30 EHEARN CCOC(=O)Cc1csc(N=NCc2ccc(C(C)C)cc2)n1 ZINC000031850126 520908939 /nfs/dbraw/zinc/90/89/39/520908939.db2.gz NKIRQSVOWLDQSS-ZDLGFXPLSA-N 0 0 331.441 3.818 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccco1 ZINC000006206462 521276750 /nfs/dbraw/zinc/27/67/50/521276750.db2.gz PUNHRUPYGDAELG-VQIMIIECSA-N 0 0 340.375 3.608 50 30 EHEARN CCCc1noc(CSc2nc3ccccc3n2CCC#N)n1 ZINC000012525665 521589457 /nfs/dbraw/zinc/58/94/57/521589457.db2.gz MJEISDBVLBHLQW-UHFFFAOYSA-N 0 0 327.413 3.578 50 30 EHEARN CCSc1nncn1/N=C/c1ccc(COc2ccccc2C)o1 ZINC000036611343 521798855 /nfs/dbraw/zinc/79/88/55/521798855.db2.gz ZSKMPKIDEJDKSA-VXLYETTFSA-N 0 0 342.424 3.753 50 30 EHEARN COc1ccc(C(=O)C=CNc2ccc(C(C)=O)cc2)c(OC)c1 ZINC000100745342 523545129 /nfs/dbraw/zinc/54/51/29/523545129.db2.gz FSMPIABRZRWNES-KHPPLWFESA-N 0 0 325.364 3.715 50 30 biogenic EHEARN COc1ccc(C(=O)C[C@@H](C#N)c2ccc(OC)c(OC)c2)cc1 ZINC000000489705 523591232 /nfs/dbraw/zinc/59/12/32/523591232.db2.gz LCDFAMVXGUUCEZ-HNNXBMFYSA-N 0 0 325.364 3.593 50 30 biogenic EHEARN COc1ccc(C(=O)C[C@H](C#N)c2ccc(OC)cc2OC)cc1 ZINC000034533372 523593661 /nfs/dbraw/zinc/59/36/61/523593661.db2.gz QFQPOCFEJAAGHP-CQSZACIVSA-N 0 0 325.364 3.593 50 30 EHEARN COc1ccccc1C(=O)O/N=C(\c1ccccc1)c1ccncc1 ZINC000000208790 524359773 /nfs/dbraw/zinc/35/97/73/524359773.db2.gz UEOZDJBAIVSYNO-ZBJSNUHESA-N 0 0 332.359 3.700 50 30 biogenic EHEARN COc1ccc(OC)c(/C=C\C(=O)c2ccc(OC)c(OC)c2)c1 ZINC000033400338 524801247 /nfs/dbraw/zinc/80/12/47/524801247.db2.gz ZHCRUTSLPNCPRY-YVMONPNESA-N 0 0 328.364 3.617 50 30 EHEARN COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000004046439 524802619 /nfs/dbraw/zinc/80/26/19/524802619.db2.gz JGRVFRVVBCRBMP-VMPITWQZSA-N 0 0 328.364 3.617 50 30 biogenic EHEARN COc1ccc(OC)c(/C=C\C(=O)c2ccc(OC)cc2OC)c1 ZINC000033391516 524803197 /nfs/dbraw/zinc/80/31/97/524803197.db2.gz GWMFJTNGHAHFMM-UITAMQMPSA-N 0 0 328.364 3.617 50 30 EHEARN C[C@H](NC(=O)CSC(=NC#N)Nc1ccccc1)c1ccccc1 ZINC000005611968 524973758 /nfs/dbraw/zinc/97/37/58/524973758.db2.gz NULNPXATQUBQTK-AWEZNQCLSA-N 0 0 338.436 3.546 50 30 EHEARN COc1cccc(-c2nc(COC(=O)C3(C#N)CCCC3)cs2)c1 ZINC000024829970 525725110 /nfs/dbraw/zinc/72/51/10/525725110.db2.gz RYRHFSBHDIHZOT-UHFFFAOYSA-N 0 0 342.420 3.946 50 30 EHEARN Cc1csc(SCC(=O)N(CCC#N)c2ccccc2F)n1 ZINC000005101433 526396648 /nfs/dbraw/zinc/39/66/48/526396648.db2.gz ZXPCMXCKHNONNX-UHFFFAOYSA-N 0 0 335.429 3.630 50 30 EHEARN O=C(O/N=C/c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 ZINC000000301982 526414631 /nfs/dbraw/zinc/41/46/31/526414631.db2.gz KJZJYJVRNOFJEQ-DNTJNYDQSA-N 0 0 337.253 3.625 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)c1csc(-c2ccccc2)n1 ZINC000069771301 526456416 /nfs/dbraw/zinc/45/64/16/526456416.db2.gz HSYOAUBVIHFZPJ-UHFFFAOYSA-N 0 0 348.431 3.761 50 30 EHEARN N#Cc1ccc(CSCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000048813413 526632952 /nfs/dbraw/zinc/63/29/52/526632952.db2.gz YMJHJGXCWKSLHI-HNNXBMFYSA-N 0 0 346.415 3.544 50 30 EHEARN O=C1N=C(NN=Cc2cccs2)S[C@H]1Cc1ccc(Cl)cc1 ZINC000018209262 527044723 /nfs/dbraw/zinc/04/47/23/527044723.db2.gz GHTDLZBRFWMOMW-YRUBURHZSA-N 0 0 349.868 3.566 50 30 EHEARN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cccnc1 ZINC000328586658 527585483 /nfs/dbraw/zinc/58/54/83/527585483.db2.gz URDWHTLHQMPBMH-CYBMUJFWSA-N 0 0 333.185 3.673 50 30 EHEARN Cn1nccc1C(=O)/C=C/c1ccc(COc2ccc(F)cc2F)o1 ZINC000033580326 527592413 /nfs/dbraw/zinc/59/24/13/527592413.db2.gz PZEFARPJUAIWFI-AATRIKPKSA-N 0 0 344.317 3.766 50 30 EHEARN C=CCSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2 ZINC000003656241 563647976 /nfs/dbraw/zinc/64/79/76/563647976.db2.gz LHMYFFQVDQVVDO-UHFFFAOYSA-N 0 0 349.213 3.631 50 30 EHEARN Cc1ccccc1/C=N/N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000000050884 563213435 /nfs/dbraw/zinc/21/34/35/563213435.db2.gz YHHQKDKCYMZUSP-FSJBWODESA-N 0 0 340.382 3.877 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000000273473 563270291 /nfs/dbraw/zinc/27/02/91/563270291.db2.gz PFWOMJIZRVHNBF-INIZCTEOSA-N 0 0 343.766 3.535 50 30 EHEARN COc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1C ZINC000000434755 563312638 /nfs/dbraw/zinc/31/26/38/563312638.db2.gz HBCOFKCWJCOHJQ-XDHOZWIPSA-N 0 0 338.436 3.866 50 30 EHEARN COc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1OC ZINC000000731197 563362759 /nfs/dbraw/zinc/36/27/59/563362759.db2.gz LHKMKWSWIQNYTL-VCHYOVAHSA-N 0 0 349.843 3.678 50 30 EHEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1 ZINC000001829853 563413751 /nfs/dbraw/zinc/41/37/51/563413751.db2.gz WOOHKZZRUJMWCW-QGZVFWFLSA-N 0 0 331.412 3.560 50 30 EHEARN Oc1cccc2ccc(/C=N/N=C/c3ccc4cccc(O)c4n3)nc12 ZINC000001950659 563416816 /nfs/dbraw/zinc/41/68/16/563416816.db2.gz YHMATFVKGDTTQB-XHQRYOPUSA-N 0 0 342.358 3.647 50 30 biogenic EHEARN Cc1cccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)c1 ZINC000004667448 563507242 /nfs/dbraw/zinc/50/72/42/563507242.db2.gz ZPIGNPRACDNTMC-FNORWQNLSA-N 0 0 345.192 3.719 50 30 aggregator EHEARN CCOc1cc(C=NNc2ccccc2)cc(Br)c1O ZINC000004739229 563509652 /nfs/dbraw/zinc/50/96/52/563509652.db2.gz NSLPNFCORVOPLV-LICLKQGHSA-N 0 0 335.201 3.999 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(Br)cc1 ZINC000004912411 563515064 /nfs/dbraw/zinc/51/50/64/563515064.db2.gz CFWGBDXZJKAFDJ-LBPRGKRZSA-N 0 0 348.240 3.696 50 30 EHEARN CCc1nc2sc3c(c2c(N=NCc2ccccn2)n1)CCCC3 ZINC000004997165 563518257 /nfs/dbraw/zinc/51/82/57/563518257.db2.gz YELAKXFYDJOMIN-RGVLZGJSSA-N 0 0 337.452 3.974 50 30 EHEARN COc1ccc(/C(C)=N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012338973 563658470 /nfs/dbraw/zinc/65/84/70/563658470.db2.gz KGJYOQSRHMLPQG-ZIOPAAQOSA-N 0 0 342.395 3.564 50 30 EHEARN COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000032634069 563670399 /nfs/dbraw/zinc/67/03/99/563670399.db2.gz NDSTWGBLFZTKBG-SOFGYWHQSA-N 0 0 342.391 3.926 50 30 biogenic EHEARN N#CCN(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000013575632 563702507 /nfs/dbraw/zinc/70/25/07/563702507.db2.gz UEXCVZGIFAIUKO-WUKNDPDISA-N 0 0 326.272 3.532 50 30 EHEARN O=C(c1ccccc1)c1ccc(/N=C2/C(=O)Nc3ccccc32)cc1 ZINC000013943426 563732031 /nfs/dbraw/zinc/73/20/31/563732031.db2.gz HXHSMBHOGRSFDP-UHFFFAOYSA-N 0 0 326.355 3.991 50 30 EHEARN N#Cc1ccccc1CSCCNC(=O)Nc1ccc(F)cc1 ZINC000014161443 563745858 /nfs/dbraw/zinc/74/58/58/563745858.db2.gz GQRTVEINRNUTTG-UHFFFAOYSA-N 0 0 329.400 3.752 50 30 EHEARN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000069978492 563893185 /nfs/dbraw/zinc/89/31/85/563893185.db2.gz CXDTWHDSZIWKPO-UHFFFAOYSA-N 0 0 346.337 3.916 50 30 EHEARN Cc1ccc(C(N)=NO[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000055396721 563921566 /nfs/dbraw/zinc/92/15/66/563921566.db2.gz GBSNUUMVWKRWHT-MRXNPFEDSA-N 0 0 339.439 3.584 50 30 EHEARN CSc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(C)cs2)cc1 ZINC000096420354 563951574 /nfs/dbraw/zinc/95/15/74/563951574.db2.gz DSBFUYAEFFPESR-FZMZJTMJSA-N 0 0 332.450 3.817 50 30 EHEARN Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cccc1[N+](=O)[O-] ZINC000000062529 563971545 /nfs/dbraw/zinc/97/15/45/563971545.db2.gz HBLKZHPDMSAGFG-UHFFFAOYSA-N 0 0 341.392 3.968 50 30 EHEARN Clc1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)cc1 ZINC000000064185 563971629 /nfs/dbraw/zinc/97/16/29/563971629.db2.gz OSYZHUXDDUDBGX-LSFURLLWSA-N 0 0 335.798 3.817 50 30 EHEARN C/N=C1\S/C(=C/c2ccc(O)c(OC)c2)C(=O)N1C1CCCCC1 ZINC000033291268 563973051 /nfs/dbraw/zinc/97/30/51/563973051.db2.gz SLJOLCMVKXJWGQ-BDYZYUDZSA-N 0 0 346.452 3.636 50 30 EHEARN N#Cc1cccc(C(=O)N[C@H](c2cccs2)C2CCOCC2)c1 ZINC000585149291 563974168 /nfs/dbraw/zinc/97/41/68/563974168.db2.gz GTRDJAPOVOERTN-KRWDZBQOSA-N 0 0 326.421 3.517 50 30 EHEARN Cn1ccc2ccc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc21 ZINC000095496687 563976997 /nfs/dbraw/zinc/97/69/97/563976997.db2.gz WTCFIUFIMCTIRD-UHFFFAOYSA-N 0 0 343.430 3.876 50 30 EHEARN COc1ccc(/N=C\c2cc(Br)cc(OC)c2O)cc1 ZINC000100349753 563982563 /nfs/dbraw/zinc/98/25/63/563982563.db2.gz QBLMGXPPMFLDIT-MFOYZWKCSA-N 0 0 336.185 3.923 50 30 EHEARN COc1ccc(C(=O)C2CCN(Cc3ccccc3C#N)CC2)cc1 ZINC000014095188 563983205 /nfs/dbraw/zinc/98/32/05/563983205.db2.gz NYVYGYPZFCWPAW-UHFFFAOYSA-N 0 0 334.419 3.662 50 30 EHEARN C=C(C)[C@H](NC(=O)N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1 ZINC000328588365 563984097 /nfs/dbraw/zinc/98/40/97/563984097.db2.gz CTRVWEJSRLDCCT-CVEARBPZSA-N 0 0 346.381 3.886 50 30 EHEARN Cc1ccc(C(=O)Nc2nnc(/N=C/c3ccc(F)cc3)s2)cc1 ZINC000000187238 563987989 /nfs/dbraw/zinc/98/79/89/563987989.db2.gz NGYDUTQBRZHWGK-VXLYETTFSA-N 0 0 340.383 3.989 50 30 EHEARN C[C@]1(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCOC1 ZINC000408514014 563992816 /nfs/dbraw/zinc/99/28/16/563992816.db2.gz RDOFLXXFIPBXRU-FQEVSTJZSA-N 0 0 336.391 3.502 50 30 EHEARN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)sn2)cc1 ZINC000408514943 563992929 /nfs/dbraw/zinc/99/29/29/563992929.db2.gz FRAGEAQYUCZBSK-XHDPSFHLSA-N 0 0 341.436 3.926 50 30 EHEARN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cn(C)c3ccc(F)cc23)c1 ZINC000408515371 563993013 /nfs/dbraw/zinc/99/30/13/563993013.db2.gz RQSMPMOKNADGTQ-MRXNPFEDSA-N 0 0 349.365 3.587 50 30 EHEARN C=C[C@](C)(CC)C(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000408520219 563993077 /nfs/dbraw/zinc/99/30/77/563993077.db2.gz VGKQXXPPKUVORC-IEBWSBKVSA-N 0 0 337.410 3.839 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257361082 563993149 /nfs/dbraw/zinc/99/31/49/563993149.db2.gz LHNVKVKZPHUYQO-WZGFBNHNSA-N 0 0 328.452 3.855 50 30 EHEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O ZINC000005157455 563995163 /nfs/dbraw/zinc/99/51/63/563995163.db2.gz MVFFOAWWHOCVPV-YVLHZVERSA-N 0 0 338.363 3.538 50 30 EHEARN N#C[C@@H](NC(=O)c1cnn2c1CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000128156725 563996074 /nfs/dbraw/zinc/99/60/74/563996074.db2.gz ACPQFPDFUDBHCS-CQSZACIVSA-N 0 0 349.221 3.521 50 30 EHEARN C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)c1cccc(C[S@](C)=O)c1)C2(C)C ZINC000252505149 563997867 /nfs/dbraw/zinc/99/78/67/563997867.db2.gz VPSGBIFNFNXOCM-QGWOYLBSSA-N 0 0 332.465 3.713 50 30 EHEARN CCCCn1nnnc1COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000005461459 564004349 /nfs/dbraw/zinc/00/43/49/564004349.db2.gz VQIOTRNAJQDBSL-UHFFFAOYSA-N 0 0 333.395 3.591 50 30 EHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000100909559 564017041 /nfs/dbraw/zinc/01/70/41/564017041.db2.gz KAPWRIVXEASYNM-ZZEZOPTASA-N 0 0 342.395 3.778 50 30 EHEARN CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000101413582 564019430 /nfs/dbraw/zinc/01/94/30/564019430.db2.gz YYCOPHQIQCBESA-YBEGLDIGSA-N 0 0 340.360 3.778 50 30 EHEARN COc1ccc(C=NOC(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000000510480 564020079 /nfs/dbraw/zinc/02/00/79/564020079.db2.gz KBVWEJNKPDVDCL-VCHYOVAHSA-N 0 0 334.759 3.940 50 30 EHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CC)cc1 ZINC000103504679 564022585 /nfs/dbraw/zinc/02/25/85/564022585.db2.gz WEVAIAUPJBHSMP-MRXNPFEDSA-N 0 0 336.391 3.609 50 30 EHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(C)c1 ZINC000103504685 564022595 /nfs/dbraw/zinc/02/25/95/564022595.db2.gz XMONPQKEHCOEBV-INIZCTEOSA-N 0 0 336.391 3.663 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1F ZINC000000545918 564022689 /nfs/dbraw/zinc/02/26/89/564022689.db2.gz HCLWRJCRCQOIRM-QGZVFWFLSA-N 0 0 325.339 3.623 50 30 EHEARN S=C(N/N=C/c1cccnc1)Nc1ccc(Cl)cc1Cl ZINC000000547936 564022808 /nfs/dbraw/zinc/02/28/08/564022808.db2.gz SYLJRCKPERWUOA-CAOOACKPSA-N 0 0 325.224 3.709 50 30 EHEARN Cc1sc(NC=C2N=C(c3ccc(C)cc3)OC2=O)c(C#N)c1C ZINC000103949481 564023414 /nfs/dbraw/zinc/02/34/14/564023414.db2.gz DJGNVVZUOJUDMX-DHDCSXOGSA-N 0 0 337.404 3.802 50 30 EHEARN COc1ccc(Cl)cc1C(=O)OCc1cn2ccccc2c1C#N ZINC000014850718 564025019 /nfs/dbraw/zinc/02/50/19/564025019.db2.gz QXLDUXWRGPSHSF-UHFFFAOYSA-N 0 0 340.766 3.830 50 30 EHEARN COc1ccc(Cl)cc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842792 564027389 /nfs/dbraw/zinc/02/73/89/564027389.db2.gz AJWPRJJVZPGCEH-VOTSOKGWSA-N 0 0 331.755 3.886 50 30 EHEARN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ccc(C#N)cn1 ZINC000048301913 564030874 /nfs/dbraw/zinc/03/08/74/564030874.db2.gz XEWUBJIVDNRWMT-UHFFFAOYSA-N 0 0 349.413 3.562 50 30 EHEARN O=C1c2ccccc2C(=O)C1=Cc1cn(C[C@@H]2CO2)c2ccccc12 ZINC000220975264 564035987 /nfs/dbraw/zinc/03/59/87/564035987.db2.gz WZTZTCRRQRYPHK-CQSZACIVSA-N 0 0 329.355 3.503 50 30 EHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2F)NC(=O)N1 ZINC000005786970 564052115 /nfs/dbraw/zinc/05/21/15/564052115.db2.gz HAJCKOJJUCKKJJ-INIZCTEOSA-N 0 0 344.773 3.990 50 30 EHEARN COc1ccc(CN/C=C2/Sc3ccccc3C2=O)cc1OC ZINC000211002805 564053668 /nfs/dbraw/zinc/05/36/68/564053668.db2.gz CIHMZACSPUANOL-GZTJUZNOSA-N 0 0 327.405 3.623 50 30 EHEARN N#CCc1cc(Br)c(OC(F)F)c(Br)c1 ZINC000263623157 564056474 /nfs/dbraw/zinc/05/64/74/564056474.db2.gz FETZNEHHXQGBMP-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@@]12c1cc(C(C)C)ccc1NC2=O ZINC000041863765 564058091 /nfs/dbraw/zinc/05/80/91/564058091.db2.gz GABUAGLORQUCTE-NRFANRHFSA-N 0 0 347.418 3.669 50 30 EHEARN CC(=O)N1C(C)(C)CC(=NOC(=O)c2ccc(C)cc2)CC1(C)C ZINC000001394804 564064677 /nfs/dbraw/zinc/06/46/77/564064677.db2.gz WRDQTRHFBPYKDG-UHFFFAOYSA-N 0 0 330.428 3.707 50 30 EHEARN C=CCN(C(=O)c1nn(C)c2c1COc1ccccc1-2)c1ccccc1 ZINC000015674245 564070505 /nfs/dbraw/zinc/07/05/05/564070505.db2.gz UULUGYGLEANOTL-UHFFFAOYSA-N 0 0 345.402 3.812 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccccc1 ZINC000007720097 564070904 /nfs/dbraw/zinc/07/09/04/564070904.db2.gz QTZPAIVUUSNMGN-UHFFFAOYSA-N 0 0 349.390 3.574 50 30 EHEARN C=CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001232938 564074660 /nfs/dbraw/zinc/07/46/60/564074660.db2.gz YIVMEJSVLIUTGA-FLIBITNWSA-N 0 0 340.267 3.836 50 30 EHEARN C=CCn1c2ccc(NC(=O)c3ccccc3OC)cc2sc1=O ZINC000015865071 564077171 /nfs/dbraw/zinc/07/71/71/564077171.db2.gz NZCBQPXIRBVHPA-UHFFFAOYSA-N 0 0 340.404 3.510 50 30 EHEARN C=C(C)CN(CC)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000029502349 564079281 /nfs/dbraw/zinc/07/92/81/564079281.db2.gz HVALIRMCLGBTQH-UHFFFAOYSA-N 0 0 339.464 3.981 50 30 EHEARN C=CCN(C(=O)Nc1ccc(OCC(F)(F)F)nc1)C1CCCC1 ZINC000075104754 564080060 /nfs/dbraw/zinc/08/00/60/564080060.db2.gz AZBZMQJLHJXXMF-UHFFFAOYSA-N 0 0 343.349 3.985 50 30 EHEARN CC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@H](C#N)C3)cc2)ccc1O ZINC000426360093 564093473 /nfs/dbraw/zinc/09/34/73/564093473.db2.gz GLXBNERLCOGHJI-OAHLLOKOSA-N 0 0 348.402 3.638 50 30 EHEARN C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2OC)n1 ZINC000006748024 564097029 /nfs/dbraw/zinc/09/70/29/564097029.db2.gz CTSDDKLDJCDTAY-UHFFFAOYSA-N 0 0 335.816 3.669 50 30 EHEARN C=CCN(C[C@H]1CC(c2cccc(F)c2)=NO1)C(=O)C1CCCC1 ZINC000006873990 564100242 /nfs/dbraw/zinc/10/02/42/564100242.db2.gz NXKZOAVKISJPRG-QGZVFWFLSA-N 0 0 330.403 3.524 50 30 EHEARN COc1ccc(/C=C/c2nc(C#N)c(NCC(C)C)o2)cc1OC ZINC000006883681 564100640 /nfs/dbraw/zinc/10/06/40/564100640.db2.gz DQSCRKBYXSTEHO-SOFGYWHQSA-N 0 0 327.384 3.802 50 30 EHEARN C[C@H](CC(=O)N[C@]1(C#N)CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000066316902 564100687 /nfs/dbraw/zinc/10/06/87/564100687.db2.gz LWUPGVQISZGWTR-ABAIWWIYSA-N 0 0 342.386 3.714 50 30 EHEARN N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000007112590 564104972 /nfs/dbraw/zinc/10/49/72/564104972.db2.gz IEANRQXBQXNAIJ-LJQANCHMSA-N 0 0 329.359 3.918 50 30 EHEARN N#Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000007376454 564107059 /nfs/dbraw/zinc/10/70/59/564107059.db2.gz OMZJAEFLOMXLSF-UHFFFAOYSA-N 0 0 348.427 3.626 50 30 EHEARN N#CCOc1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1 ZINC000037034384 564107606 /nfs/dbraw/zinc/10/76/06/564107606.db2.gz KLXCDTAMTYJJBD-UHFFFAOYSA-N 0 0 349.159 3.743 50 30 EHEARN C[C@H](Cc1cccs1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000170611056 564109765 /nfs/dbraw/zinc/10/97/65/564109765.db2.gz LZNQJKJYQOIQNB-GFCCVEGCSA-N 0 0 337.366 3.866 50 30 EHEARN C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2C)cc1 ZINC000137136130 564117680 /nfs/dbraw/zinc/11/76/80/564117680.db2.gz FHTGRVGQNMCWGJ-UHFFFAOYSA-N 0 0 327.359 3.694 50 30 EHEARN C=CC[C@@H](C)NC(=O)c1c(Br)cccc1Br ZINC000252489744 564119453 /nfs/dbraw/zinc/11/94/53/564119453.db2.gz JZACCIMQRDMFQH-MRVPVSSYSA-N 0 0 347.050 3.906 50 30 EHEARN C=CC[C@H](C)NC(=O)c1c(Br)cccc1Br ZINC000252489745 564119456 /nfs/dbraw/zinc/11/94/56/564119456.db2.gz JZACCIMQRDMFQH-QMMMGPOBSA-N 0 0 347.050 3.906 50 30 EHEARN O=C1CC(N=Nc2nc(-c3cccc(O)c3)cs2)c2ccccc21 ZINC000252611488 564121844 /nfs/dbraw/zinc/12/18/44/564121844.db2.gz IJUOIRMCCFIGCW-UHFFFAOYSA-N 0 0 335.388 3.918 50 30 EHEARN N#Cc1ccc(OC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000007783956 564123250 /nfs/dbraw/zinc/12/32/50/564123250.db2.gz TVWVBCRXALPXTH-UHFFFAOYSA-N 0 0 329.739 3.592 50 30 EHEARN Clc1ccc(C=NNc2cc(-c3ccccc3)nc3ncnn32)cc1 ZINC000252630916 564124014 /nfs/dbraw/zinc/12/40/14/564124014.db2.gz VFUWCOMCABWWES-UHFFFAOYSA-N 0 0 348.797 3.891 50 30 EHEARN C=CCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC ZINC000002307585 564132121 /nfs/dbraw/zinc/13/21/21/564132121.db2.gz OXCBTHRPGCGRJV-RAXLEYEMSA-N 0 0 341.388 3.666 50 30 EHEARN CCOC(=O)c1cc(C#N)c(Nc2ccccc2)nc1C(F)(F)F ZINC000000126930 564132895 /nfs/dbraw/zinc/13/28/95/564132895.db2.gz UPDFLILGDNLOPQ-UHFFFAOYSA-N 0 0 335.285 3.892 50 30 EHEARN CC1(C)Cc2c3c(N)c(C#N)sc3nc(N3CCCCC3)c2CO1 ZINC000000205436 564133020 /nfs/dbraw/zinc/13/30/20/564133020.db2.gz CULURFSFTPOFEQ-UHFFFAOYSA-N 0 0 342.468 3.592 50 30 EHEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000000300246 564133120 /nfs/dbraw/zinc/13/31/20/564133120.db2.gz IBQJWZNNSYUOII-UHFFFAOYSA-N 0 0 341.461 3.625 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000252429306 564133754 /nfs/dbraw/zinc/13/37/54/564133754.db2.gz BFZHCUBIASXHPK-QYYVTAPASA-N 0 0 330.468 3.694 50 30 EHEARN Cc1ccc(CON=CNc2ncc3c(n2)-c2ccccc2OC3)cc1 ZINC000008873693 564134131 /nfs/dbraw/zinc/13/41/31/564134131.db2.gz LUBKHYBKYDWRHI-UHFFFAOYSA-N 0 0 346.390 3.916 50 30 EHEARN CC(C)Nc1sc(C(=O)c2ccc(Cl)s2)c(N)c1C#N ZINC000065363257 564134307 /nfs/dbraw/zinc/13/43/07/564134307.db2.gz QXYBFBSGLDXLKF-UHFFFAOYSA-N 0 0 325.846 3.968 50 30 EHEARN CC[C@@](C)(C#CCN1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055236540 564134569 /nfs/dbraw/zinc/13/45/69/564134569.db2.gz KBFGKQRTONEQHI-UXHICEINSA-N 0 0 325.456 3.711 50 30 EHEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2C)cc1 ZINC000002442400 564135192 /nfs/dbraw/zinc/13/51/92/564135192.db2.gz NRSMUAKBVSITKQ-UHFFFAOYSA-N 0 0 336.420 3.655 50 30 EHEARN Cc1noc(C)c1C(C)(C)C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000328587549 564136566 /nfs/dbraw/zinc/13/65/66/564136566.db2.gz AOVUKSRXYATMBP-AWEZNQCLSA-N 0 0 330.384 3.673 50 30 EHEARN O=C(COc1ccccc1)NCC[C@@H]1C(=O)Nc2ccc(F)cc21 ZINC000328590020 564136721 /nfs/dbraw/zinc/13/67/21/564136721.db2.gz WCTYDURCMLNCFK-AWEZNQCLSA-N 0 0 328.343 3.937 50 30 EHEARN CC(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000328591886 564136746 /nfs/dbraw/zinc/13/67/46/564136746.db2.gz KNOQCUDPOHBWBQ-MRXNPFEDSA-N 0 0 338.407 3.917 50 30 EHEARN N#Cc1cnn(CCSc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000078917065 564137409 /nfs/dbraw/zinc/13/74/09/564137409.db2.gz RVKDMZLNYOGTHL-UHFFFAOYSA-N 0 0 332.738 3.614 50 30 EHEARN N#Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000095351141 564139287 /nfs/dbraw/zinc/13/92/87/564139287.db2.gz PZTIHFIMPJLFGT-UHFFFAOYSA-N 0 0 325.843 3.529 50 30 EHEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3CC=C(Cl)C[C@H]3C1=O)CCCC2 ZINC000095393207 564139408 /nfs/dbraw/zinc/13/94/08/564139408.db2.gz XRYKWRWQSDKXKJ-VXGBXAGGSA-N 0 0 346.839 3.521 50 30 EHEARN N#C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1Cl ZINC000095439531 564140469 /nfs/dbraw/zinc/14/04/69/564140469.db2.gz PXGMCCOZEKUFRJ-GXTWGEPZSA-N 0 0 347.827 3.643 50 30 EHEARN N#CCCN(C(=O)/C=C\c1ccc(OCC#N)cc1)c1ccccc1 ZINC000096034964 564145086 /nfs/dbraw/zinc/14/50/86/564145086.db2.gz RKKVZPBSYGIMNL-XFXZXTDPSA-N 0 0 331.375 3.549 50 30 EHEARN N#Cc1ccsc1C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000096403416 564147160 /nfs/dbraw/zinc/14/71/60/564147160.db2.gz YKMPWGFCCRDMKT-UHFFFAOYSA-N 0 0 347.443 3.900 50 30 EHEARN Cc1ccc(C)c(NC(=O)/N=C(\c2ccccc2)N2CCOCC2)c1 ZINC000226751961 564153195 /nfs/dbraw/zinc/15/31/95/564153195.db2.gz NPIHUQBAFLENRQ-ZBJSNUHESA-N 0 0 337.423 3.614 50 30 EHEARN N#Cc1ccccc1OCC(=O)N1CCSc2ccc(Cl)cc21 ZINC000057996735 564157039 /nfs/dbraw/zinc/15/70/39/564157039.db2.gz OCXASTVUFOJFLZ-UHFFFAOYSA-N 0 0 344.823 3.729 50 30 EHEARN N#Cc1ccsc1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000003537961 564158855 /nfs/dbraw/zinc/15/88/55/564158855.db2.gz FQYLUDXXGAZKQC-UHFFFAOYSA-N 0 0 339.464 3.513 50 30 EHEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(Cc1ccccn1)CC2 ZINC000004004676 564159942 /nfs/dbraw/zinc/15/99/42/564159942.db2.gz OCEJBPFZBNRFLI-UHFFFAOYSA-N 0 0 339.402 3.625 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000004311396 564161618 /nfs/dbraw/zinc/16/16/18/564161618.db2.gz WPHRCQZZDCVTJH-HNNXBMFYSA-N 0 0 327.767 3.514 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004311397 564161649 /nfs/dbraw/zinc/16/16/49/564161649.db2.gz WPHRCQZZDCVTJH-OAHLLOKOSA-N 0 0 327.767 3.514 50 30 EHEARN CC(=O)N(C)c1nc(/C=C\C(=O)c2ccc3c(c2)CCCC3)cs1 ZINC000066406972 564162345 /nfs/dbraw/zinc/16/23/45/564162345.db2.gz DLLBHKQSELTLIK-KTKRTIGZSA-N 0 0 340.448 3.901 50 30 EHEARN N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000008276008 564163951 /nfs/dbraw/zinc/16/39/51/564163951.db2.gz KFPKCMGYIYDXBO-UHFFFAOYSA-N 0 0 337.379 3.997 50 30 EHEARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000008756992 564167346 /nfs/dbraw/zinc/16/73/46/564167346.db2.gz FWSPKUYVKDZMHT-LBPRGKRZSA-N 0 0 342.782 3.820 50 30 EHEARN Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)on1 ZINC000068343639 564167564 /nfs/dbraw/zinc/16/75/64/564167564.db2.gz SECNARLCKNVBEI-SFHVURJKSA-N 0 0 347.374 3.557 50 30 EHEARN C[C@@H](C#N)Sc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000009049464 564168702 /nfs/dbraw/zinc/16/87/02/564168702.db2.gz FHFKZWTUGCCTGS-NSHDSACASA-N 0 0 327.434 3.510 50 30 EHEARN CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000245266134 564168932 /nfs/dbraw/zinc/16/89/32/564168932.db2.gz IQNLYDWTVUNPAB-LBPRGKRZSA-N 0 0 348.349 3.741 50 30 EHEARN CO[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069814632 564172367 /nfs/dbraw/zinc/17/23/67/564172367.db2.gz ZUDXXQXNLZBLNA-NXEZZACHSA-N 0 0 336.363 3.690 50 30 EHEARN N#C[C@H](C(=O)c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cn1 ZINC000041552608 564174094 /nfs/dbraw/zinc/17/40/94/564174094.db2.gz LFORESPBQDGQAE-ZDUSSCGKSA-N 0 0 332.281 3.525 50 30 EHEARN CC1(C)COc2c1cccc2C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000619122190 1031013362 /nfs/dbraw/zinc/01/33/62/1031013362.db2.gz RUWDDBLHVJOGTL-UHFFFAOYSA-N 0 0 332.403 3.647 50 30 EHEARN C[C@H](c1ccc(Cl)cc1)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000106140915 1041571747 /nfs/dbraw/zinc/57/17/47/1041571747.db2.gz GBMJIHBGVMOHBM-BFUOFWGJSA-N 0 0 345.874 3.674 50 30 EHEARN O=C(/C=C\c1csc([N+](=O)[O-])c1)c1c(Cl)nc2sccn21 ZINC000104186456 1042515777 /nfs/dbraw/zinc/51/57/77/1042515777.db2.gz OXZQHTAGHYUSDZ-UPHRSURJSA-N 0 0 339.785 3.915 50 30 EHEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000005101053 1042829700 /nfs/dbraw/zinc/82/97/00/1042829700.db2.gz LXTPMUVWUOYBKR-OAQYLSRUSA-N 0 0 347.418 3.999 50 30 EHEARN CC(C)(C)c1csc(CC2CCN(c3ccc(C#N)nn3)CC2)n1 ZINC000874434114 1122856912 /nfs/dbraw/zinc/85/69/12/1122856912.db2.gz AQDHOOQLNULTKA-UHFFFAOYSA-N 0 0 341.484 3.561 50 30 EHEARN C#CCCCC(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC000585131532 1137020798 /nfs/dbraw/zinc/02/07/98/1137020798.db2.gz YJXWXWJOKJDDTL-UHFFFAOYSA-N 0 0 332.856 3.807 50 30 EHEARN COc1cc(Br)c(/C=C\C(=O)c2ccncc2)cc1OC ZINC000221984215 1138232363 /nfs/dbraw/zinc/23/23/63/1138232363.db2.gz YKWQGMFBEXRTOB-ARJAWSKDSA-N 0 0 348.196 3.757 50 30 EHEARN O=C(/C=C\c1cc(F)ccc1F)c1cc2c(s1)SCC(=O)N2 ZINC000222212900 1138247183 /nfs/dbraw/zinc/24/71/83/1138247183.db2.gz MYBHSAWLSLKBKE-RJRFIUFISA-N 0 0 337.372 3.967 50 30 EHEARN C=CCOc1c(Cl)cc(CN[C@H](C)c2nc[nH]n2)cc1Cl ZINC000055401633 214319198 /nfs/dbraw/zinc/31/91/98/214319198.db2.gz RUXOIJHSYSLLKL-SECBINFHSA-N 0 0 327.215 3.527 50 30 EHEARN C=CCOc1ccc(-c2nc3c(sc(=S)n3CC)c(=O)[nH]2)cc1 ZINC000004625767 210234230 /nfs/dbraw/zinc/23/42/30/210234230.db2.gz SFBAWQJBCMDEDG-UHFFFAOYSA-N 0 0 345.449 3.767 50 30 EHEARN C=C1C=C[C@@H](C(C)(C)OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000004152460 210133895 /nfs/dbraw/zinc/13/38/95/210133895.db2.gz BKGZLGILOGTHAD-CYBMUJFWSA-N 0 0 346.339 3.961 50 30 EHEARN C=CCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000002093845 209819190 /nfs/dbraw/zinc/81/91/90/209819190.db2.gz KHXBOPSAKYSWJH-UHFFFAOYSA-N 0 0 339.391 3.699 50 30 biogenic EHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000018180563 201994866 /nfs/dbraw/zinc/99/48/66/201994866.db2.gz IYKXYTJBFRZQJF-OAHLLOKOSA-N 0 0 328.803 3.590 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000019087687 201998198 /nfs/dbraw/zinc/99/81/98/201998198.db2.gz UCAJMCHZROZQHK-KRWDZBQOSA-N 0 0 337.350 3.590 50 30 EHEARN Cc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000019791182 202020221 /nfs/dbraw/zinc/02/02/21/202020221.db2.gz NGTOIYBUHLLKLV-XDHOZWIPSA-N 0 0 333.888 3.862 50 30 EHEARN N#Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000024031712 202110430 /nfs/dbraw/zinc/11/04/30/202110430.db2.gz KZCRQIVEDAQHAP-UHFFFAOYSA-N 0 0 327.387 3.969 50 30 EHEARN N#Cc1c(Cl)nc(NCCNc2ccccn2)c(Cl)c1Cl ZINC000024056593 202112537 /nfs/dbraw/zinc/11/25/37/202112537.db2.gz OMVJUMOIGVASJB-UHFFFAOYSA-N 0 0 342.617 3.832 50 30 EHEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000027467974 202154621 /nfs/dbraw/zinc/15/46/21/202154621.db2.gz ZRSKZWIXAGMHOK-ZHZULCJRSA-N 0 0 346.496 3.866 50 30 EHEARN C=CCn1cnc2sc(C(=O)Nc3ccc(C)cc3)c(C)c2c1=O ZINC000035681759 213046402 /nfs/dbraw/zinc/04/64/02/213046402.db2.gz WNEVGCGTMDBYMJ-UHFFFAOYSA-N 0 0 339.420 3.513 50 30 EHEARN CN(Cc1ccc(Cl)cc1Cl)c1ncc([N+](=O)[O-])cc1C#N ZINC000032806272 202235709 /nfs/dbraw/zinc/23/57/09/202235709.db2.gz QVZMQTNBVVTDRN-UHFFFAOYSA-N 0 0 337.166 3.805 50 30 EHEARN CC(=CN=Nc1nnc2c3cccc(C)c3[nH]c2n1)Cc1ccco1 ZINC000033154924 202251964 /nfs/dbraw/zinc/25/19/64/202251964.db2.gz VFOWIXFMLWVSKX-AWRNHSHYSA-N 0 0 332.367 3.909 50 30 EHEARN Cc1ccc(/N=C2\NC(=O)/C(=C3/c4ccccc4NC3=O)S2)c(C)c1 ZINC000034237425 202272504 /nfs/dbraw/zinc/27/25/04/202272504.db2.gz WFGDIAGRZUQYOJ-FOCLMDBBSA-N 0 0 349.415 3.517 50 30 EHEARN CCC(=O)Nc1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000072271658 216096178 /nfs/dbraw/zinc/09/61/78/216096178.db2.gz KBZPMLLLAVDREU-UHFFFAOYSA-N 0 0 338.411 3.716 50 30 EHEARN CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)cn3)C2)n1 ZINC000072297205 202362766 /nfs/dbraw/zinc/36/27/66/202362766.db2.gz OTKLIWYPROLKEG-CQSZACIVSA-N 0 0 340.452 3.553 50 30 EHEARN Cc1nc([C@@H]2CCCN(C(=O)C3(C#N)CCCCC3)C2)sc1C ZINC000072297434 202362942 /nfs/dbraw/zinc/36/29/42/202362942.db2.gz PSYPHVNNQFQMGL-OAHLLOKOSA-N 0 0 331.485 3.940 50 30 EHEARN CN(CCC#N)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000020610421 201371014 /nfs/dbraw/zinc/37/10/14/201371014.db2.gz TWBKURQSFYEYBB-UHFFFAOYSA-N 0 0 334.375 3.511 50 30 biogenic EHEARN COc1cc(OC)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000004252696 201360217 /nfs/dbraw/zinc/36/02/17/201360217.db2.gz YCPYGCFJBDPLNN-BQYQJAHWSA-N 0 0 343.335 3.517 50 30 EHEARN Cn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)c2ccccc21 ZINC000028182420 201387692 /nfs/dbraw/zinc/38/76/92/201387692.db2.gz RHINQRBCRDNFRI-GRSHGNNSSA-N 0 0 348.402 3.562 50 30 EHEARN N#Cc1cc(F)c(NCc2cccc(C(=O)N3CCCC3)c2)c(F)c1 ZINC000058281381 202750138 /nfs/dbraw/zinc/75/01/38/202750138.db2.gz KPGFSNBNHWAHBV-UHFFFAOYSA-N 0 0 341.361 3.685 50 30 EHEARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(C#N)cc1 ZINC000058331826 202756848 /nfs/dbraw/zinc/75/68/48/202756848.db2.gz MKUFWQYOCHCVHW-UHFFFAOYSA-N 0 0 345.402 3.918 50 30 EHEARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC#N ZINC000003267908 201563289 /nfs/dbraw/zinc/56/32/89/201563289.db2.gz LHVCETKOSXOXKH-UHFFFAOYSA-N 0 0 328.393 3.752 50 30 EHEARN CC(C)CCn1c(SCC#N)nc2sc3c(c2c1=O)CCCC3 ZINC000003529059 201575805 /nfs/dbraw/zinc/57/58/05/201575805.db2.gz SICMBFAUIPIRCV-UHFFFAOYSA-N 0 0 347.509 3.999 50 30 EHEARN CCSc1nc2n(n1)[C@H](c1sccc1C)C1C(=O)CCCC1=N2 ZINC000004436236 201600754 /nfs/dbraw/zinc/60/07/54/201600754.db2.gz AJSUTFNWABCKGA-ZDUSSCGKSA-N 0 0 346.481 3.782 50 30 EHEARN CO/N=C\[C@@H](/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000005209536 201642732 /nfs/dbraw/zinc/64/27/32/201642732.db2.gz LQCPZAOEDBBJRU-OBEZCISXSA-N 0 0 349.839 3.828 50 30 EHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000005504955 201653518 /nfs/dbraw/zinc/65/35/18/201653518.db2.gz JETOWZXVANWBQB-INIZCTEOSA-N 0 0 344.773 3.990 50 30 EHEARN N#Cc1c(N)nc(-c2cccs2)cc1-c1cccn1-c1ncccn1 ZINC000067743618 202931170 /nfs/dbraw/zinc/93/11/70/202931170.db2.gz JTGLPACHDVLWGL-UHFFFAOYSA-N 0 0 344.403 3.512 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000069461978 203005671 /nfs/dbraw/zinc/00/56/71/203005671.db2.gz YLCQYIANHSYNIF-MRXNPFEDSA-N 0 0 335.363 3.656 50 30 EHEARN Cc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)n1 ZINC000069519761 203013221 /nfs/dbraw/zinc/01/32/21/203013221.db2.gz NTAQLSGRWXCSGL-UHFFFAOYSA-N 0 0 333.347 3.686 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2ccnc(SC)c2)cc1 ZINC000071889097 203138627 /nfs/dbraw/zinc/13/86/27/203138627.db2.gz YENDHBDXTFBTND-UHFFFAOYSA-N 0 0 341.436 3.763 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2ccc(SC)nc2)cc1 ZINC000071889093 203139511 /nfs/dbraw/zinc/13/95/11/203139511.db2.gz GLWQBQINFNPQAS-UHFFFAOYSA-N 0 0 341.436 3.763 50 30 EHEARN N#Cc1ccnc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000071918449 203151150 /nfs/dbraw/zinc/15/11/50/203151150.db2.gz KZZFRPDPCAHVFP-GOSISDBHSA-N 0 0 337.448 3.799 50 30 EHEARN Cc1cccc2c(=O)[nH]c(CSc3ccc(C#N)cc3F)nc12 ZINC000071921881 203151654 /nfs/dbraw/zinc/15/16/54/203151654.db2.gz SXQJEPCOCYVIBL-UHFFFAOYSA-N 0 0 325.368 3.535 50 30 EHEARN Cc1nn(C)c2sc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc12 ZINC000072271662 203187930 /nfs/dbraw/zinc/18/79/30/203187930.db2.gz UMPSHVWQMQLPLS-UHFFFAOYSA-N 0 0 341.440 3.624 50 30 EHEARN C[C@@H](c1cccc(O)c1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072630265 203238270 /nfs/dbraw/zinc/23/82/70/203238270.db2.gz RCUBMCYVURXSIK-ZDUSSCGKSA-N 0 0 334.379 3.507 50 30 EHEARN Cc1c(CN2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)cc(C#N)n1C ZINC000077471255 203390186 /nfs/dbraw/zinc/39/01/86/203390186.db2.gz ZKQRIQRDWLJBLY-LJQANCHMSA-N 0 0 333.439 3.727 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000077518074 203392983 /nfs/dbraw/zinc/39/29/83/203392983.db2.gz JCJBPEAWSKJYFE-HXUWFJFHSA-N 0 0 346.430 3.612 50 30 EHEARN C#CCN1C(=O)S/C(=C\c2cc(Cl)cc(Cl)c2OC)C1=O ZINC000015011136 211788427 /nfs/dbraw/zinc/78/84/27/211788427.db2.gz IALGCWXRKYPWEA-WDZFZDKYSA-N 0 0 342.203 3.672 50 30 EHEARN N#CC1(NC(=O)c2ccc(Cl)cc2Br)CCCC1 ZINC000155389765 206004303 /nfs/dbraw/zinc/00/43/03/206004303.db2.gz SFDXRLJKODPCRX-UHFFFAOYSA-N 0 0 327.609 3.669 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000100259457 206219410 /nfs/dbraw/zinc/21/94/10/206219410.db2.gz TWKFFRBNVTZGKV-IDTYTIONSA-N 0 0 345.757 3.531 50 30 EHEARN C=CCOc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000013858138 211652741 /nfs/dbraw/zinc/65/27/41/211652741.db2.gz IVGKOZBUFYAFBX-UHFFFAOYSA-N 0 0 334.375 3.863 50 30 EHEARN Cc1nn(C)c(Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000096404863 218755245 /nfs/dbraw/zinc/75/52/45/218755245.db2.gz GTGULZFWNSOFCD-SNVBAGLBSA-N 0 0 348.859 3.886 50 30 EHEARN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000014184917 207632070 /nfs/dbraw/zinc/63/20/70/207632070.db2.gz SCUCPKMWMXEZJB-NSHDSACASA-N 0 0 334.297 3.983 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)(C)C ZINC000004943843 210334979 /nfs/dbraw/zinc/33/49/79/210334979.db2.gz YCJHIAOPYRDYJQ-UHFFFAOYSA-N 0 0 333.819 3.951 50 30 EHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000004910602 210321489 /nfs/dbraw/zinc/32/14/89/210321489.db2.gz SRBWLGINVAZAAW-AWEZNQCLSA-N 0 0 339.391 3.587 50 30 EHEARN COc1cc(OC)c(CNc2cc(Cl)ccc2C#N)c(OC)c1 ZINC000097393565 219021115 /nfs/dbraw/zinc/02/11/15/219021115.db2.gz PKRSDGJMMKSKKF-UHFFFAOYSA-N 0 0 332.787 3.850 50 30 EHEARN C=CCn1ccc2c(OCC(=O)Nc3ccccc3C)cccc2c1=O ZINC000004584207 258047079 /nfs/dbraw/zinc/04/70/79/258047079.db2.gz ZWQKYGXLEJCIIJ-UHFFFAOYSA-N 0 0 348.402 3.513 50 30 EHEARN C=CCn1c(C)cc(C(=O)CSc2nnc(CSC)o2)c1C ZINC000012922701 258017243 /nfs/dbraw/zinc/01/72/43/258017243.db2.gz ITQOJEZDOATVNG-UHFFFAOYSA-N 0 0 337.470 3.512 50 30 EHEARN C=CCc1ccccc1OCC1N=NC(=S)N1Cc1ccccc1 ZINC000001306501 258017300 /nfs/dbraw/zinc/01/73/00/258017300.db2.gz QXWFTXQVVVWWJB-UHFFFAOYSA-N 0 0 337.448 3.923 50 30 EHEARN C/C(=N\OC(=O)c1ccccc1)c1csc(-c2snnc2C)n1 ZINC000000123001 258047359 /nfs/dbraw/zinc/04/73/59/258047359.db2.gz LTBZWIOUZFPQTG-GIJQJNRQSA-N 0 0 344.421 3.551 50 30 EHEARN COc1cccc(CN=NC(N)=S)c1OCc1ccccc1Cl ZINC000013545778 258056157 /nfs/dbraw/zinc/05/61/57/258056157.db2.gz HQTOYWBSZQFPMY-DJKKODMXSA-N 0 0 349.843 3.506 50 30 EHEARN COc1ccccc1/C=C/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000019771555 258057402 /nfs/dbraw/zinc/05/74/02/258057402.db2.gz SXOUUKQWOKMHEP-AIDHTSIMSA-N 0 0 335.451 3.512 50 30 EHEARN CCc1ccc(S(=O)(=O)N/N=C\C(C)=C\c2ccccc2)cc1 ZINC000032577544 258058593 /nfs/dbraw/zinc/05/85/93/258058593.db2.gz FIWCATNIMPKGJN-FQHLDWHWSA-N 0 0 328.437 3.617 50 30 EHEARN C[C@@H](NC(=O)c1cccc(CC#N)c1)c1nc(-c2cccnc2)cs1 ZINC000071896425 258064196 /nfs/dbraw/zinc/06/41/96/258064196.db2.gz QRTYLWFUGBBRQO-CYBMUJFWSA-N 0 0 348.431 3.762 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346060 258073425 /nfs/dbraw/zinc/07/34/25/258073425.db2.gz PWCLWZOSAFOXFL-OQINTAEXSA-N 0 0 330.468 3.694 50 30 EHEARN C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257345463 258073513 /nfs/dbraw/zinc/07/35/13/258073513.db2.gz MASCESDECGBIBB-YVAFOASKSA-N 0 0 332.484 3.630 50 30 EHEARN CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000001092917 135653827 /nfs/dbraw/zinc/65/38/27/135653827.db2.gz ONIUKJVHFCDLAG-RCCKNPSSSA-N 0 0 340.423 3.681 50 30 EHEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccncc1 ZINC000006022325 262516326 /nfs/dbraw/zinc/51/63/26/262516326.db2.gz WKHPKJLONGBEKP-UHFFFAOYSA-N 0 0 326.400 3.958 50 30 EHEARN C/C(=N\N[C@@H](C)Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000043761336 518463240 /nfs/dbraw/zinc/46/32/40/518463240.db2.gz VRQCIYPOZFTNFW-GNUZOCDUSA-N 0 0 339.395 3.822 50 30 EHEARN C=CCNC(=O)CCCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000004433309 518884874 /nfs/dbraw/zinc/88/48/74/518884874.db2.gz CXQQUDZIQXQPJO-UHFFFAOYSA-N 0 0 327.428 3.659 50 30 EHEARN C=CCNc1nc([S@@](=O)Cc2ccc(C)cc2)nc2c1CCCC2 ZINC000005698804 518964924 /nfs/dbraw/zinc/96/49/24/518964924.db2.gz BRNYNVUQJYDAKC-XMMPIXPASA-N 0 0 341.480 3.570 50 30 EHEARN C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccncc1 ZINC000000524032 519241926 /nfs/dbraw/zinc/24/19/26/519241926.db2.gz CDKIVZWIPVUPPJ-UHFFFAOYSA-N 0 0 338.436 3.827 50 30 EHEARN C=CCn1cc(CN(C)[C@H](C)c2ccc(OC)cc2OC)c(C)n1 ZINC000055132040 519278381 /nfs/dbraw/zinc/27/83/81/519278381.db2.gz SDWFXJBYLWRVLD-OAHLLOKOSA-N 0 0 329.444 3.588 50 30 EHEARN CCOC(=NC(=O)c1cccc(OC)c1)N[C@H](C)c1ccccc1 ZINC000005095805 520389605 /nfs/dbraw/zinc/38/96/05/520389605.db2.gz ANUMPHVHTUGLOB-CQSZACIVSA-N 0 0 326.396 3.579 50 30 EHEARN CCOc1ccccc1/C=N/N1CCN(Cc2ccc(C)cc2)CC1 ZINC000022200076 521447955 /nfs/dbraw/zinc/44/79/55/521447955.db2.gz UNRVGCJPHDHAGP-CJLVFECKSA-N 0 0 337.467 3.545 50 30 EHEARN Cc1cccc(C(=N)NOC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000004689914 524151005 /nfs/dbraw/zinc/15/10/05/524151005.db2.gz XSYIBUTWBFPXRV-UHFFFAOYSA-N 0 0 340.423 3.535 50 30 EHEARN CSC(=NC[C@@H]1CCCO1)Nc1n[nH]c(C)c1-c1ccccc1F ZINC000020440163 525286747 /nfs/dbraw/zinc/28/67/47/525286747.db2.gz BSPHKNODKIQCJG-LBPRGKRZSA-N 0 0 348.447 3.834 50 30 EHEARN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000014932093 525407088 /nfs/dbraw/zinc/40/70/88/525407088.db2.gz MABPCGQGRMFJCR-CQSZACIVSA-N 0 0 333.863 3.675 50 30 EHEARN Cc1cc([C@H](C#N)C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)nc(C)n1 ZINC000041574870 525501687 /nfs/dbraw/zinc/50/16/87/525501687.db2.gz CIOWZTNWNBRSAV-KRWDZBQOSA-N 0 0 344.418 3.944 50 30 EHEARN CSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2C)o1 ZINC000036611485 526226980 /nfs/dbraw/zinc/22/69/80/526226980.db2.gz VLLMOQIMZHDYSI-VCHYOVAHSA-N 0 0 342.424 3.671 50 30 EHEARN CCCC12COC(c3ccc(C#C[Si](C)(C)C)cc3)(OC1)OC2 ZINC000195783201 534917515 /nfs/dbraw/zinc/91/75/15/534917515.db2.gz FMLJQWIMQVSUMF-UHFFFAOYSA-N 0 0 330.500 3.889 50 30 EHEARN N#CC1(c2nc(-c3cccc(OCc4cccnc4)c3)no2)CCC1 ZINC000084374578 526439201 /nfs/dbraw/zinc/43/92/01/526439201.db2.gz TVKWAGQFLIAPSL-UHFFFAOYSA-N 0 0 332.363 3.656 50 30 EHEARN N=C(NOC(=O)c1sccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000004324012 526810217 /nfs/dbraw/zinc/81/02/17/526810217.db2.gz DUHPSFJWUUCKPM-UHFFFAOYSA-N 0 0 348.733 3.898 50 30 EHEARN COc1cc2c(cc1OC)C(Nc1ccc(F)c(F)c1)=NC(C)(C)C2 ZINC000000074423 563216580 /nfs/dbraw/zinc/21/65/80/563216580.db2.gz VYEWIODLOPMFEH-UHFFFAOYSA-N 0 0 346.377 3.985 50 30 EHEARN NC(=S)N/N=C(\CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000004159383 563495928 /nfs/dbraw/zinc/49/59/28/563495928.db2.gz QFUZBNHSQRAFQM-HEHNFIMWSA-N 0 0 327.497 3.830 50 30 EHEARN Clc1ccc(N=NCCc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000004370556 563501726 /nfs/dbraw/zinc/50/17/26/563501726.db2.gz LSRLOAGJYRWDLW-GIJQJNRQSA-N 0 0 347.209 3.610 50 30 EHEARN O=C(/C=C\c1ccncc1)c1cccc(C(=O)/C=C\c2ccncc2)n1 ZINC000004531826 563504311 /nfs/dbraw/zinc/50/43/11/563504311.db2.gz HGLOEZLYCREKNY-PEPZGXQESA-N 0 0 341.370 3.664 50 30 EHEARN CC(C)Oc1cccc(C2N=NC(=S)N2N=Cc2cccs2)c1 ZINC000005817439 563551444 /nfs/dbraw/zinc/55/14/44/563551444.db2.gz MTMIUNUQEBHYEA-LICLKQGHSA-N 0 0 344.465 3.965 50 30 EHEARN Cc1csc(C(C#N)=C([O-])c2c[nH]nc2-c2c(F)cccc2F)n1 ZINC000097380177 563620364 /nfs/dbraw/zinc/62/03/64/563620364.db2.gz YDFJCQHIKYYSSR-VIFPVBQESA-N 0 0 344.346 3.610 50 30 EHEARN C=CCNC(=O)c1ccc(OCCC(C)C)c(Br)c1 ZINC000008568770 563632664 /nfs/dbraw/zinc/63/26/64/563632664.db2.gz IKXLZVSRQQFDAV-UHFFFAOYSA-N 0 0 326.234 3.790 50 30 EHEARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(CC#N)cc1 ZINC000016495912 563813614 /nfs/dbraw/zinc/81/36/14/563813614.db2.gz ZZCASJFXAOAIPR-HXUWFJFHSA-N 0 0 345.402 3.655 50 30 EHEARN C=CCCC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000072291484 563909015 /nfs/dbraw/zinc/90/90/15/563909015.db2.gz CUTHKCIKAHHKNC-UHFFFAOYSA-N 0 0 328.437 3.925 50 30 EHEARN N#Cc1cc2c(nc1SC[C@@H]1COc3ccccc3O1)CCCC2 ZINC000000440793 563917410 /nfs/dbraw/zinc/91/74/10/563917410.db2.gz XUXGMPCSRRJGHH-HNNXBMFYSA-N 0 0 338.432 3.764 50 30 EHEARN N#CCNC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000060336376 563931489 /nfs/dbraw/zinc/93/14/89/563931489.db2.gz GWJZONFZWUFMJE-PEZBUJJGSA-N 0 0 339.398 3.975 50 30 EHEARN COc1ccc(C[C@H](C#N)C(=O)Nc2cc(C)ccc2C)c(OC)c1 ZINC000057525223 563935700 /nfs/dbraw/zinc/93/57/00/563935700.db2.gz QURKRWSNFAEDKP-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN Cc1cc(C)n(Cc2cccc(C(N)=NOCc3cccc(C)c3)c2)n1 ZINC000058155887 563937994 /nfs/dbraw/zinc/93/79/94/563937994.db2.gz DHSGAVNEVOZWGG-UHFFFAOYSA-N 0 0 348.450 3.694 50 30 EHEARN Cc1cc(C)n([C@@H](C)C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)n1 ZINC000096411686 563950703 /nfs/dbraw/zinc/95/07/03/563950703.db2.gz POXMMYVGAGVDOF-NSHDSACASA-N 0 0 344.806 3.788 50 30 EHEARN N#Cc1cc(C(F)(F)F)ccc1NCc1nnc2n1CCCCC2 ZINC000096482663 563955292 /nfs/dbraw/zinc/95/52/92/563955292.db2.gz VTXOXVCCEHFHHV-UHFFFAOYSA-N 0 0 335.333 3.507 50 30 EHEARN Cc1ccc(C(=O)Nc2ccn(CCCC#N)n2)c(Br)c1 ZINC000096484404 563955376 /nfs/dbraw/zinc/95/53/76/563955376.db2.gz WJONBZYSVAFKBD-UHFFFAOYSA-N 0 0 347.216 3.510 50 30 EHEARN CC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000004675567 563963661 /nfs/dbraw/zinc/96/36/61/563963661.db2.gz FQRPOUBLXAAISR-YXCPHSOBSA-N 0 0 327.409 3.524 50 30 EHEARN CC/N=C1\S/C(=C\c2ccc(N3CCCC3)c(C)c2)C(=O)N1CC ZINC000004674832 563963691 /nfs/dbraw/zinc/96/36/91/563963691.db2.gz OCMYVQFBJIDHBI-CJGMICOPSA-N 0 0 343.496 3.907 50 30 EHEARN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)/N=C/c1cc(Cl)ccc1O ZINC000004688214 563964384 /nfs/dbraw/zinc/96/43/84/563964384.db2.gz JHXLTLOPDSCHMD-HPAYWCODSA-N 0 0 333.775 3.873 50 30 EHEARN CC[C@H](CC#N)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000097096718 563967446 /nfs/dbraw/zinc/96/74/46/563967446.db2.gz NSNXIJMMYXAAEI-OAHLLOKOSA-N 0 0 336.395 3.753 50 30 EHEARN N#CCCN(C(=O)c1cncc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000097101967 563967692 /nfs/dbraw/zinc/96/76/92/563967692.db2.gz VJXZIDBLKGRQPF-UHFFFAOYSA-N 0 0 327.403 3.545 50 30 EHEARN Cc1nc(SCC(=O)NCc2ccccc2)c(C#N)c(C)c1Cl ZINC000000033666 563967774 /nfs/dbraw/zinc/96/77/74/563967774.db2.gz LHBUIXQJLIODJV-UHFFFAOYSA-N 0 0 345.855 3.632 50 30 EHEARN COc1cc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000097179512 563970430 /nfs/dbraw/zinc/97/04/30/563970430.db2.gz LMZJWRAETYPEDI-PLNGDYQASA-N 0 0 349.364 3.578 50 30 EHEARN Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000187468190 563973421 /nfs/dbraw/zinc/97/34/21/563973421.db2.gz PNAZXJMOVMXRDS-HNNXBMFYSA-N 0 0 341.374 3.547 50 30 EHEARN CCCCCCCOc1ccccc1C=NNc1nc(O)cs1 ZINC000097965421 563982123 /nfs/dbraw/zinc/98/21/23/563982123.db2.gz CAVKUEMZASTIFN-LDADJPATSA-N 0 0 333.457 3.589 50 30 EHEARN O=C(C(=NNc1ccc(F)cc1)C(=O)C(F)(F)F)c1ccccc1 ZINC000100417181 563982603 /nfs/dbraw/zinc/98/26/03/563982603.db2.gz MSVPCKFTAZNGCA-LPYMAVHISA-N 0 0 338.260 3.608 50 30 EHEARN CC(NN=c1[nH]c2ccccc2s1)=C1C(=O)c2ccccc2C1=O ZINC000100555530 563982660 /nfs/dbraw/zinc/98/26/60/563982660.db2.gz PVQDDUWONUUIOC-UHFFFAOYSA-N 0 0 335.388 3.566 50 30 EHEARN N#Cc1ccccc1CSCCNC(=O)Nc1ccc(F)cc1F ZINC000014158928 563983347 /nfs/dbraw/zinc/98/33/47/563983347.db2.gz TXWNQEGGQAUQEY-UHFFFAOYSA-N 0 0 347.390 3.891 50 30 EHEARN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cn(C)nc2C(C)C)C12CCCC2 ZINC000328588736 563984079 /nfs/dbraw/zinc/98/40/79/563984079.db2.gz VVYAYJFPKYNBPV-HZPDHXFCSA-N 0 0 348.491 3.759 50 30 EHEARN COc1cc(Br)cc(/C=N/c2c(C)cccc2O)c1O ZINC000000224251 563989011 /nfs/dbraw/zinc/98/90/11/563989011.db2.gz RUWAIEBIOBUMBP-CAOOACKPSA-N 0 0 336.185 3.928 50 30 EHEARN C=CCn1c(SCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000000341089 563991359 /nfs/dbraw/zinc/99/13/59/563991359.db2.gz NVFPTXFXWBPQLF-UHFFFAOYSA-N 0 0 336.482 3.607 50 30 EHEARN Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccncc1)C1=C(CCCC1=O)N2 ZINC000004871466 563992194 /nfs/dbraw/zinc/99/21/94/563992194.db2.gz WYTRQSKRRQSYRQ-QGZVFWFLSA-N 0 0 336.439 3.906 50 30 EHEARN COCc1cc(C)nc(N=NCc2c(O)ccc3ccccc32)c1C#N ZINC000005128093 563994496 /nfs/dbraw/zinc/99/44/96/563994496.db2.gz GYUQUMSZAYZNJT-SSDVNMTOSA-N 0 0 346.390 3.713 50 30 EHEARN CCC(CC)C(=O)C(C#N)=C(O)CCc1ncc(-c2ccccc2)o1 ZINC000100684493 563994825 /nfs/dbraw/zinc/99/48/25/563994825.db2.gz BTRWHDQZMXMCNA-MRXNPFEDSA-N 0 0 338.407 3.988 50 30 EHEARN CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCCCS3)cc1 ZINC000011903221 563995388 /nfs/dbraw/zinc/99/53/88/563995388.db2.gz BUEWUTOYKJTCPS-UHFFFAOYSA-N 0 0 339.464 3.965 50 30 EHEARN CC1(C#N)CCN(C(=O)c2cccc(-c3ccc4c(c3)OCO4)c2)CC1 ZINC000426526750 563996242 /nfs/dbraw/zinc/99/62/42/563996242.db2.gz CAQQLLXOUDRHLS-UHFFFAOYSA-N 0 0 348.402 3.848 50 30 EHEARN CCOc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000252621968 563997998 /nfs/dbraw/zinc/99/79/98/563997998.db2.gz NLJQYEMWUZQSPD-UHFFFAOYSA-N 0 0 335.407 3.634 50 30 EHEARN C=CCc1cccc(O)c1[C@@H]1Nc2sc3c(c2C(=O)N1)CCCC3 ZINC000005495033 564004733 /nfs/dbraw/zinc/00/47/33/564004733.db2.gz UYPJNVASAVMJJW-KRWDZBQOSA-N 0 0 340.448 3.915 50 30 EHEARN Cc1ccc2c(c1)C(=NNC(=S)Nc1c(C)cccc1C)C(=O)N2 ZINC000006288300 564006382 /nfs/dbraw/zinc/00/63/82/564006382.db2.gz DTMCYGGDARUMGI-UHFFFAOYSA-N 0 0 338.436 3.904 50 30 EHEARN N#Cc1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c(F)c1 ZINC000062639962 564007031 /nfs/dbraw/zinc/00/70/31/564007031.db2.gz SKBHRIJGTUSRPL-UHFFFAOYSA-N 0 0 347.796 3.812 50 30 EHEARN CS(=O)(=O)c1scc(-c2ccc(Cl)cc2Cl)c1C#N ZINC000000125021 564013338 /nfs/dbraw/zinc/01/33/38/564013338.db2.gz IDJNZTMWBHIVSB-UHFFFAOYSA-N 0 0 332.233 3.997 50 30 EHEARN CN(/N=C/c1c(Cl)cccc1[N+](=O)[O-])C(=S)c1ccccc1 ZINC000003151176 564015138 /nfs/dbraw/zinc/01/51/38/564015138.db2.gz GWDWCQRCKMDLIZ-LICLKQGHSA-N 0 0 333.800 3.890 50 30 EHEARN C=CCn1c2ccc(OC)cc2s/c1=N\C(=O)c1cccs1 ZINC000100874960 564017017 /nfs/dbraw/zinc/01/70/17/564017017.db2.gz FFJFHNIAQCXFPM-MSUUIHNZSA-N 0 0 330.434 3.700 50 30 EHEARN Cc1ccc(C)c(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)CCC3)c1 ZINC000102389351 564019972 /nfs/dbraw/zinc/01/99/72/564019972.db2.gz UOXBNLJRIHYCTP-AWEZNQCLSA-N 0 0 338.432 3.815 50 30 EHEARN CCCCCCCCc1nnc(NC(=O)c2ccc(=O)[nH]c2)s1 ZINC000102818962 564020723 /nfs/dbraw/zinc/02/07/23/564020723.db2.gz KHLNMBNVFUEWRF-UHFFFAOYSA-N 0 0 334.445 3.794 50 30 EHEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccoc1 ZINC000024466329 564021081 /nfs/dbraw/zinc/02/10/81/564021081.db2.gz GKIFXQMAXLEAES-UHFFFAOYSA-N 0 0 336.141 3.532 50 30 EHEARN C=CCn1c2nc3ccccc3nc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000000545084 564022657 /nfs/dbraw/zinc/02/26/57/564022657.db2.gz DNZLGBONZTWLKK-UHFFFAOYSA-N 0 0 331.335 3.741 50 30 EHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1cccc(Cl)c1 ZINC000104257441 564023809 /nfs/dbraw/zinc/02/38/09/564023809.db2.gz ZFEKENXNQFRTQQ-YDZSZYSISA-N 0 0 330.815 3.511 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014790046 564023833 /nfs/dbraw/zinc/02/38/33/564023833.db2.gz TVEQMPBTXBEXKH-LBPRGKRZSA-N 0 0 348.324 3.661 50 30 EHEARN C[C@H](C#N)CN(C)C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000044971049 564027963 /nfs/dbraw/zinc/02/79/63/564027963.db2.gz AFIPQNNTRBDWHB-LLVKDONJSA-N 0 0 348.859 3.765 50 30 EHEARN C#CCOC[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000049031772 564032459 /nfs/dbraw/zinc/03/24/59/564032459.db2.gz RWABRRSIHDNDBE-ZDUSSCGKSA-N 0 0 340.345 3.599 50 30 EHEARN CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2O)c1 ZINC000001277925 564033353 /nfs/dbraw/zinc/03/33/53/564033353.db2.gz CODYGSVQVDRRRC-WOJGMQOQSA-N 0 0 340.408 3.594 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1OC ZINC000002721383 564033559 /nfs/dbraw/zinc/03/35/59/564033559.db2.gz QFUVQXLVRVNADC-CQSZACIVSA-N 0 0 335.407 3.722 50 30 EHEARN C[C@H](CCC#N)Sc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000241897137 564052099 /nfs/dbraw/zinc/05/20/99/564052099.db2.gz TVXHXVWBRDUEQS-GFCCVEGCSA-N 0 0 328.397 3.964 50 30 EHEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 ZINC000252694918 564053583 /nfs/dbraw/zinc/05/35/83/564053583.db2.gz RUQCGCWODJEVJZ-GNWRFUQESA-N 0 0 346.467 3.661 50 30 biogenic EHEARN CC(=O)c1cccc(O[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000063436171 564057476 /nfs/dbraw/zinc/05/74/76/564057476.db2.gz QKKVPCNTRICKCN-CZUORRHYSA-N 0 0 348.358 3.674 50 30 EHEARN CC(=O)N1C(C)(C)CC(=NOC(=O)c2ccc(F)cc2)CC1(C)C ZINC000001399272 564064833 /nfs/dbraw/zinc/06/48/33/564064833.db2.gz HUNLEBKNWFIFAE-UHFFFAOYSA-N 0 0 334.391 3.538 50 30 EHEARN Cc1csc([C@H](C#N)C(=O)c2ccc(N3CCCC3)c(F)c2)n1 ZINC000093242864 564070350 /nfs/dbraw/zinc/07/03/50/564070350.db2.gz HPYFUIWEMOPVLB-CYBMUJFWSA-N 0 0 329.400 3.681 50 30 EHEARN C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O ZINC000013881305 564074011 /nfs/dbraw/zinc/07/40/11/564074011.db2.gz UQHCVUMSDVWIAQ-RVDMUPIBSA-N 0 0 328.368 3.839 50 30 EHEARN C=CCN(CC=C)C(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000002136562 564074785 /nfs/dbraw/zinc/07/47/85/564074785.db2.gz FPXRARQTSJZJRG-UHFFFAOYSA-N 0 0 329.252 3.682 50 30 EHEARN CC(C)OC1=C(OC(C)C)[C@@]2(O)C=C([Si](C)(C)C)C[C@@]2(C)C1=O ZINC000169834260 564076396 /nfs/dbraw/zinc/07/63/96/564076396.db2.gz QKNNRCIOINWUAA-ROUUACIJSA-N 0 0 338.520 3.576 50 30 EHEARN Cc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1Cl ZINC000075105198 564080163 /nfs/dbraw/zinc/08/01/63/564080163.db2.gz DWEHTLPAFRFWAU-UHFFFAOYSA-N 0 0 328.803 3.991 50 30 EHEARN C[C@H](ON=C(N)c1cccs1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000075147255 564080757 /nfs/dbraw/zinc/08/07/57/564080757.db2.gz NQUQEOBWIVVCAI-VIFPVBQESA-N 0 0 348.815 3.850 50 30 EHEARN C[C@H](ON=C(N)c1ccsc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000075147252 564080764 /nfs/dbraw/zinc/08/07/64/564080764.db2.gz HXSICPQOTKPIOF-VIFPVBQESA-N 0 0 348.815 3.850 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1NC(C)=O ZINC000078979139 564081854 /nfs/dbraw/zinc/08/18/54/564081854.db2.gz TVVIGFLLAOFRHZ-XVNBXDOJSA-N 0 0 331.318 3.828 50 30 EHEARN COc1cc(OC)c(C(=O)/C=C/c2cccc3c2OCO3)cc1Cl ZINC000040139722 564085907 /nfs/dbraw/zinc/08/59/07/564085907.db2.gz MDZVJYKTCUYMKW-VOTSOKGWSA-N 0 0 346.766 3.982 50 30 EHEARN CCN(CC)c1ccc(C=NNC(=S)NCc2ccccc2)cc1 ZINC000013111758 564099419 /nfs/dbraw/zinc/09/94/19/564099419.db2.gz GEMVZPHXNBBWMU-UHFFFAOYSA-N 0 0 340.496 3.531 50 30 aggregator EHEARN Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000065564339 564107037 /nfs/dbraw/zinc/10/70/37/564107037.db2.gz QZGMXOAXUUKKGS-UHFFFAOYSA-N 0 0 346.434 3.732 50 30 EHEARN CCOc1c(OC)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000065606710 564108162 /nfs/dbraw/zinc/10/81/62/564108162.db2.gz UNWJBFDJVKZTFB-UHFFFAOYSA-N 0 0 338.359 3.565 50 30 EHEARN Cc1ccccc1CN1C(=O)CS/C1=N\N=C\c1cccs1 ZINC000013583692 564111801 /nfs/dbraw/zinc/11/18/01/564111801.db2.gz CMINRQOYAGXENT-RGJFUNKGSA-N 0 0 329.450 3.522 50 30 EHEARN Fc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000005998619 564113040 /nfs/dbraw/zinc/11/30/40/564113040.db2.gz HRQLYGMWMGGZIH-GIJQJNRQSA-N 0 0 332.791 3.909 50 30 EHEARN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CN2Cc3ccccc3C2)cc1 ZINC000089694830 564113152 /nfs/dbraw/zinc/11/31/52/564113152.db2.gz PEXSPFWBMPRKMY-FQEVSTJZSA-N 0 0 347.462 3.681 50 30 EHEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000252491429 564119548 /nfs/dbraw/zinc/11/95/48/564119548.db2.gz LMIPLPGKECCNOY-ZYHUDNBSSA-N 0 0 326.227 3.556 50 30 EHEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC000252491327 564119559 /nfs/dbraw/zinc/11/95/59/564119559.db2.gz LMIPLPGKECCNOY-JQWIXIFHSA-N 0 0 326.227 3.556 50 30 EHEARN N#Cc1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000170654172 564120905 /nfs/dbraw/zinc/12/09/05/564120905.db2.gz PYECKHVCYFHPMV-OAHLLOKOSA-N 0 0 344.365 3.636 50 30 EHEARN Cc1c(N=Cc2ccc([N+](=O)[O-])s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252592256 564120963 /nfs/dbraw/zinc/12/09/63/564120963.db2.gz BEFMOXCQUQDPCP-UHFFFAOYSA-N 0 0 336.285 3.532 50 30 EHEARN C[S@@](=O)Cc1cc(Nc2ccc(C#N)cc2[N+](=O)[O-])ccc1Cl ZINC000301262688 564124869 /nfs/dbraw/zinc/12/48/69/564124869.db2.gz FUGBLRIBDYZVNG-HSZRJFAPSA-N 0 0 349.799 3.742 50 30 EHEARN C[S@](=O)Cc1cc(Nc2ccc(C#N)cc2[N+](=O)[O-])ccc1Cl ZINC000301262689 564124892 /nfs/dbraw/zinc/12/48/92/564124892.db2.gz FUGBLRIBDYZVNG-QHCPKHFHSA-N 0 0 349.799 3.742 50 30 EHEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]5O[C@@]5(O)[C@@]4(C)CC[C@H]32)C1 ZINC000252695106 564124952 /nfs/dbraw/zinc/12/49/52/564124952.db2.gz VDWPXFJLZWNCAR-IPQNIRAVSA-N 0 0 346.467 3.578 50 30 biogenic EHEARN O=C(C=C1NC[C@@H](c2ccccc2)O1)c1ccc(Br)cc1 ZINC000004179544 564130117 /nfs/dbraw/zinc/13/01/17/564130117.db2.gz MSNXVVAKZDTMJS-KFXAOSDLSA-N 0 0 344.208 3.834 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000091304645 564133076 /nfs/dbraw/zinc/13/30/76/564133076.db2.gz QOUURVXDQINOKI-INIZCTEOSA-N 0 0 344.418 3.529 50 30 EHEARN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000000345019 564133130 /nfs/dbraw/zinc/13/31/30/564133130.db2.gz DBPXHLRHLJGVLN-UHFFFAOYSA-N 0 0 327.365 3.659 50 30 EHEARN N#Cc1ccc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nc1 ZINC000154459225 564133311 /nfs/dbraw/zinc/13/33/11/564133311.db2.gz RPTDRKRLCNRXCX-LLVKDONJSA-N 0 0 338.358 3.813 50 30 EHEARN CN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2cccc(C#N)n2)c1 ZINC000426578550 564135066 /nfs/dbraw/zinc/13/50/66/564135066.db2.gz GPHGDBTWPWRORD-IBGZPJMESA-N 0 0 349.434 3.651 50 30 EHEARN Cc1noc(C2CC2)c1NC(=O)N1CCC(c2nccs2)CC1 ZINC000328588079 564136581 /nfs/dbraw/zinc/13/65/81/564136581.db2.gz QXWTWZLLUYBQLP-UHFFFAOYSA-N 0 0 332.429 3.742 50 30 EHEARN Cc1ccc(CC[C@H](C)NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)o1 ZINC000328587851 564136605 /nfs/dbraw/zinc/13/66/05/564136605.db2.gz BMFYHDBLLAFLLY-XJKSGUPXSA-N 0 0 330.432 3.773 50 30 EHEARN N#Cc1ccccc1NC(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000078937218 564137420 /nfs/dbraw/zinc/13/74/20/564137420.db2.gz GNZFPWNEVWVJGH-QGZVFWFLSA-N 0 0 335.407 3.629 50 30 EHEARN C[C@@H](Nc1cccc(OCCCC#N)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000079029691 564137655 /nfs/dbraw/zinc/13/76/55/564137655.db2.gz WWXAWSHVMGWKAB-CQSZACIVSA-N 0 0 348.406 3.779 50 30 EHEARN COc1cc(/C=C/c2ccncc2C#N)cc(Br)c1O ZINC000390835680 564139049 /nfs/dbraw/zinc/13/90/49/564139049.db2.gz UUKGLAVSNJOQLK-NSCUHMNNSA-N 0 0 331.169 3.600 50 30 EHEARN C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CCCCC1=O ZINC000095350018 564139220 /nfs/dbraw/zinc/13/92/20/564139220.db2.gz SVJOXTUDBLOKSF-INIZCTEOSA-N 0 0 327.453 3.659 50 30 EHEARN CCOC(=O)c1cc(C#N)c(N2CCCCC2)nc1-c1ccccc1 ZINC000020365474 564139229 /nfs/dbraw/zinc/13/92/29/564139229.db2.gz LERFXNHGOBLKHJ-UHFFFAOYSA-N 0 0 335.407 3.787 50 30 EHEARN C[C@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000095414930 564139741 /nfs/dbraw/zinc/13/97/41/564139741.db2.gz XPHXJOBJCKCPJR-QMMMGPOBSA-N 0 0 342.746 3.564 50 30 EHEARN O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)Nc1nc[nH]n1 ZINC000095479839 564141576 /nfs/dbraw/zinc/14/15/76/564141576.db2.gz BCQLPTXGUNBQAJ-UHFFFAOYSA-N 0 0 347.378 3.627 50 30 EHEARN CCCCn1ccnc1C1CCN(C(=O)c2ccccc2C#N)CC1 ZINC000095497878 564141597 /nfs/dbraw/zinc/14/15/97/564141597.db2.gz DGUJYZAYQNXDHI-UHFFFAOYSA-N 0 0 336.439 3.575 50 30 EHEARN Cc1cc(N[C@H](CC#N)c2ccccc2)n2nc(C(F)(F)F)nc2n1 ZINC000095964651 564142901 /nfs/dbraw/zinc/14/29/01/564142901.db2.gz LQNJXHRHJBMBHW-GFCCVEGCSA-N 0 0 346.316 3.518 50 30 EHEARN N#Cc1cccc(C(=O)NCc2nn(C3CCCC3)c3c2CCCC3)c1 ZINC000096099212 564145255 /nfs/dbraw/zinc/14/52/55/564145255.db2.gz BLXZJJJKWUOQDR-UHFFFAOYSA-N 0 0 348.450 3.679 50 30 EHEARN N#CCc1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000096446396 564148245 /nfs/dbraw/zinc/14/82/45/564148245.db2.gz XTCUQVHUIJGMNG-PMACEKPBSA-N 0 0 349.434 3.873 50 30 EHEARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(CC#N)nc4c23)C1 ZINC000002798189 564152711 /nfs/dbraw/zinc/15/27/11/564152711.db2.gz LJVXWSVCHJCBDA-JTQLQIEISA-N 0 0 325.441 3.556 50 30 EHEARN N#CCCCSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000057530312 564154735 /nfs/dbraw/zinc/15/47/35/564154735.db2.gz MODLDRSAPHQLEK-UHFFFAOYSA-N 0 0 341.484 3.649 50 30 EHEARN CCC1CCC(N(C2CC2)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000058776768 564159697 /nfs/dbraw/zinc/15/96/97/564159697.db2.gz IGZZTISDMMGUDG-UHFFFAOYSA-N 0 0 332.469 3.680 50 30 EHEARN N#Cc1ccccc1CN1C(=O)COc2ccc(-c3cscn3)cc21 ZINC000031869903 564160103 /nfs/dbraw/zinc/16/01/03/564160103.db2.gz ZCVKYVUYSLLHIU-UHFFFAOYSA-N 0 0 347.399 3.607 50 30 EHEARN N#Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000008061177 564162449 /nfs/dbraw/zinc/16/24/49/564162449.db2.gz ISMDZLZZPGMQHA-UHFFFAOYSA-N 0 0 331.331 3.656 50 30 EHEARN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1sccc1C#N ZINC000009112795 564169021 /nfs/dbraw/zinc/16/90/21/564169021.db2.gz RAZRQZJITPGHPW-CYBMUJFWSA-N 0 0 331.466 3.629 50 30 EHEARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(C#N)ccc1F ZINC000009495823 564173870 /nfs/dbraw/zinc/17/38/70/564173870.db2.gz BMZUEZGCKASELN-UHFFFAOYSA-N 0 0 346.383 3.691 50 30 EHEARN C[C@H](c1ccccc1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009691577 564174463 /nfs/dbraw/zinc/17/44/63/564174463.db2.gz OLLMICCHWYAITF-CYBMUJFWSA-N 0 0 339.464 3.740 50 30 EHEARN Cc1csc([C@@H](C#N)C(=O)c2ccc(OCc3ccccn3)cc2)n1 ZINC000076763220 564176496 /nfs/dbraw/zinc/17/64/96/564176496.db2.gz PELMNBJKNOPTAH-KRWDZBQOSA-N 0 0 349.415 3.916 50 30 EHEARN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccoc1 ZINC000425091940 1024150897 /nfs/dbraw/zinc/15/08/97/1024150897.db2.gz YQTIUXGLZNGHCH-GFCCVEGCSA-N 0 0 336.313 3.782 50 30 EHEARN COc1cc(/C=C/C(=O)c2cccnc2)cc(OC)c1OC(F)F ZINC000007739867 1025498086 /nfs/dbraw/zinc/49/80/86/1025498086.db2.gz QLSOISFHYCVTLU-AATRIKPKSA-N 0 0 335.306 3.596 50 30 EHEARN Cn1ncc2c1CC/C(=C\c1ccc(-c3ccccc3[N+](=O)[O-])o1)C2=O ZINC000084310399 1031444101 /nfs/dbraw/zinc/44/41/01/1031444101.db2.gz RXMQXMLRVZXITH-ZRDIBKRKSA-N 0 0 349.346 3.801 50 30 EHEARN CNc1ccc(/C=C2/CCOc3ccc(C)cc3C2=O)cc1[N+](=O)[O-] ZINC000096792703 1039174312 /nfs/dbraw/zinc/17/43/12/1039174312.db2.gz ZJZAQBNVRDLOGE-UVTDQMKNSA-N 0 0 338.363 3.994 50 30 EHEARN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1cccc(Cl)c1 ZINC000007267346 1128858511 /nfs/dbraw/zinc/85/85/11/1128858511.db2.gz MOWTZSXNCYRUDJ-CYBMUJFWSA-N 0 0 327.815 3.671 50 30 EHEARN N#C[C@H](NC(=O)c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000176603721 1121270111 /nfs/dbraw/zinc/27/01/11/1121270111.db2.gz NBFMQVFYRXPTOL-AWEZNQCLSA-N 0 0 339.208 3.790 50 30 EHEARN N#Cc1ccccc1C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 ZINC000952860318 1137482615 /nfs/dbraw/zinc/48/26/15/1137482615.db2.gz MEIDYXFSCFHWAC-GOSISDBHSA-N 0 0 336.391 3.758 50 30 EHEARN CCc1ccc(-c2nc(SCC(=O)c3cccc(C#N)c3)n[nH]2)cc1 ZINC000952876085 1137483176 /nfs/dbraw/zinc/48/31/76/1137483176.db2.gz IVMADYNBMNUTEO-UHFFFAOYSA-N 0 0 348.431 3.881 50 30 EHEARN C#CCCC1(CCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)N=N1 ZINC000952882186 1137483389 /nfs/dbraw/zinc/48/33/89/1137483389.db2.gz SDQGDUKQDXNMCM-GOEBONIOSA-N 0 0 327.403 3.886 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)N=N1 ZINC000952882366 1137483462 /nfs/dbraw/zinc/48/34/62/1137483462.db2.gz VBXGQNVQWXFWAT-CYBMUJFWSA-N 0 0 343.431 3.650 50 30 EHEARN C[C@@H](CC(=O)N(CC#Cc1ccccc1)C1CCCC1)n1cccn1 ZINC000055414286 214322252 /nfs/dbraw/zinc/32/22/52/214322252.db2.gz GQTYLXCOURFYQW-SFHVURJKSA-N 0 0 335.451 3.657 50 30 EHEARN C=CCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O ZINC000004472452 210196615 /nfs/dbraw/zinc/19/66/15/210196615.db2.gz GGUBRNKPVWTYAR-GHRIWEEISA-N 0 0 336.416 3.917 50 30 EHEARN Cc1nc(SCC(=O)Nc2ccc(C#N)cc2)n(CC(C)C)c1C ZINC000008478813 201750973 /nfs/dbraw/zinc/75/09/73/201750973.db2.gz GNJVMZGMUSAVDQ-UHFFFAOYSA-N 0 0 342.468 3.758 50 30 EHEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/NC(=S)Nc2ccccc2)c1 ZINC000008577864 201752911 /nfs/dbraw/zinc/75/29/11/201752911.db2.gz YJYDENXFSXHRRG-CXUHLZMHSA-N 0 0 334.788 3.569 50 30 EHEARN COc1ccc(OC)c(C(=O)/C=C/c2c(C)nc3sc(C)cn23)c1 ZINC000012540913 201853048 /nfs/dbraw/zinc/85/30/48/201853048.db2.gz ZBNZYWJAAGFFKL-VOTSOKGWSA-N 0 0 342.420 3.926 50 30 EHEARN COc1ccccc1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O ZINC000015016033 201946803 /nfs/dbraw/zinc/94/68/03/201946803.db2.gz VYGSYWFOLFYMPM-GDNBJRDFSA-N 0 0 328.368 3.726 50 30 EHEARN Cc1cc(SCCC(=O)Nc2sccc2C#N)nc(C(C)C)n1 ZINC000040034356 213252979 /nfs/dbraw/zinc/25/29/79/213252979.db2.gz XAKGKCLMRXFCKM-UHFFFAOYSA-N 0 0 346.481 3.963 50 30 EHEARN Fc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000019835482 202021794 /nfs/dbraw/zinc/02/17/94/202021794.db2.gz MBPVQKMQGYLEKJ-FYJGNVAPSA-N 0 0 331.822 3.631 50 30 EHEARN CC[C@H](CO)Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019820572 202022760 /nfs/dbraw/zinc/02/27/60/202022760.db2.gz UKVBEQNVGZOZJQ-GFCCVEGCSA-N 0 0 348.859 3.573 50 30 EHEARN Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(F)cc3)c12 ZINC000020517810 202048029 /nfs/dbraw/zinc/04/80/29/202048029.db2.gz CDOWYMNKXWPDQS-UHFFFAOYSA-N 0 0 343.365 3.989 50 30 EHEARN Cn1cc(/C=C/C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cn1 ZINC000020674886 202052554 /nfs/dbraw/zinc/05/25/54/202052554.db2.gz WACDBOUFEMMRLP-NYYWCZLTSA-N 0 0 329.359 3.578 50 30 EHEARN N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000021183579 202063067 /nfs/dbraw/zinc/06/30/67/202063067.db2.gz XXOLXFLQCYGSGO-QGZVFWFLSA-N 0 0 346.839 3.641 50 30 EHEARN Cc1ccc(CN2CCN(/N=C/c3c(F)cccc3Cl)CC2)cc1 ZINC000022200054 202080941 /nfs/dbraw/zinc/08/09/41/202080941.db2.gz HAZTXQYXSMOVQU-LPYMAVHISA-N 0 0 345.849 3.939 50 30 EHEARN COc1ccccc1[C@@H]1N=C(c2ccccc2)C(C)(C)N1OC(C)=O ZINC000022341236 202084064 /nfs/dbraw/zinc/08/40/64/202084064.db2.gz QKGTUBDZRVRFLA-LJQANCHMSA-N 0 0 338.407 3.755 50 30 EHEARN COc1ccccc1[C@H]1N=C(c2ccccc2)C(C)(C)N1OC(C)=O ZINC000022341241 202084702 /nfs/dbraw/zinc/08/47/02/202084702.db2.gz QKGTUBDZRVRFLA-IBGZPJMESA-N 0 0 338.407 3.755 50 30 EHEARN O=C1c2cc(F)ccc2OCC/C1=C\c1ccc2c(c1)OCCO2 ZINC000022756525 202091203 /nfs/dbraw/zinc/09/12/03/202091203.db2.gz WWWHTJQMZHWMCC-UKTHLTGXSA-N 0 0 326.323 3.646 50 30 EHEARN Cc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)c(F)c1 ZINC000022996485 202096869 /nfs/dbraw/zinc/09/68/69/202096869.db2.gz PNHLCEFVFLXTCF-UHFFFAOYSA-N 0 0 333.160 3.970 50 30 EHEARN C=CCn1c(SCC#N)nc2cc(-c3ccccc3)sc2c1=O ZINC000023198334 202100187 /nfs/dbraw/zinc/10/01/87/202100187.db2.gz LUCYMTDQHSLKMQ-UHFFFAOYSA-N 0 0 339.445 3.927 50 30 EHEARN N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1ccncc1 ZINC000026580396 202145603 /nfs/dbraw/zinc/14/56/03/202145603.db2.gz BXFPCJNUPULTRF-UHFFFAOYSA-N 0 0 340.770 3.786 50 30 EHEARN N#CCC[C@@H](C#N)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000028917208 202178687 /nfs/dbraw/zinc/17/86/87/202178687.db2.gz BWXLOIGSJOVLGE-ZDUSSCGKSA-N 0 0 326.359 3.691 50 30 EHEARN Cc1ccc(C[C@@H](C#N)Sc2nc3sccc3c(N)n2)cc1 ZINC000031787860 202209793 /nfs/dbraw/zinc/20/97/93/202209793.db2.gz BCWBVTCXXJOOGY-LBPRGKRZSA-N 0 0 326.450 3.809 50 30 EHEARN N#Cc1ccc(OS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000032548542 202227538 /nfs/dbraw/zinc/22/75/38/202227538.db2.gz XMTKJFYPDREGIP-UHFFFAOYSA-N 0 0 334.205 3.694 50 30 EHEARN Cc1cc(N(C)Cc2cccnc2)n2c3ccccc3nc2c1C#N ZINC000032902978 202240713 /nfs/dbraw/zinc/24/07/13/202240713.db2.gz PQFQRAUVNZZOHO-UHFFFAOYSA-N 0 0 327.391 3.699 50 30 EHEARN CO[C@H](C(=O)Nc1ccc(C#N)cc1Br)c1ccccc1 ZINC000071899951 202354252 /nfs/dbraw/zinc/35/42/52/202354252.db2.gz YPLTVONTSSBWHQ-HNNXBMFYSA-N 0 0 345.196 3.647 50 30 EHEARN N#Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2Cl)cc1 ZINC000232314135 201049330 /nfs/dbraw/zinc/04/93/30/201049330.db2.gz NFFZUMPAXWNFFA-UHFFFAOYSA-N 0 0 346.770 3.732 50 30 EHEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000012662528 201364398 /nfs/dbraw/zinc/36/43/98/201364398.db2.gz UYWHGJDLDFERRT-XEWCJNAKSA-N 0 0 335.359 3.919 50 30 biogenic EHEARN Cc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCCC2)C1=O ZINC000013816201 201365502 /nfs/dbraw/zinc/36/55/02/201365502.db2.gz DETWRUFSCTUAGI-UNOMPAQXSA-N 0 0 335.403 3.913 50 30 EHEARN CC(=CC(=O)ONC(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000005018594 201633673 /nfs/dbraw/zinc/63/36/73/201633673.db2.gz ZEWLXOFKQUPTDV-VAWYXSNFSA-N 0 0 330.771 3.544 50 30 EHEARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000005109448 201639539 /nfs/dbraw/zinc/63/95/39/201639539.db2.gz JAOCNWRWFMZBOH-XVNBXDOJSA-N 0 0 347.292 3.932 50 30 EHEARN C[C@H](C#N)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000084907734 201662664 /nfs/dbraw/zinc/66/26/64/201662664.db2.gz PXIZZCNJRHUOPG-LLVKDONJSA-N 0 0 340.349 3.587 50 30 EHEARN Cn1cc(-c2cc(-c3cccnc3)nc(N)c2C#N)c2ccc(F)cc21 ZINC000067817675 202937620 /nfs/dbraw/zinc/93/76/20/202937620.db2.gz CHCITYVNJHUXJI-UHFFFAOYSA-N 0 0 343.365 3.895 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC ZINC000069454910 203003020 /nfs/dbraw/zinc/00/30/20/203003020.db2.gz ZCHAPQUKHVJXAJ-HOTGVXAUSA-N 0 0 336.391 3.708 50 30 EHEARN C=CCCC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000069370773 203073089 /nfs/dbraw/zinc/07/30/89/203073089.db2.gz MBZKPUSOKWPNMX-UHFFFAOYSA-N 0 0 342.361 3.636 50 30 EHEARN Cc1cc(C(F)(F)F)c(C#N)c(SCCCCC(=O)N(C)C)n1 ZINC000069972644 203067817 /nfs/dbraw/zinc/06/78/17/203067817.db2.gz UXMSRFWBECTZDT-UHFFFAOYSA-N 0 0 345.390 3.631 50 30 EHEARN CSc1ccc(C(=O)[C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1 ZINC000071751298 203108167 /nfs/dbraw/zinc/10/81/67/203108167.db2.gz VADAMVJXORUWPJ-OAHLLOKOSA-N 0 0 337.448 3.774 50 30 EHEARN COC(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000071769406 203111474 /nfs/dbraw/zinc/11/14/74/203111474.db2.gz ROXJUMSSBTZRCS-QUCCMNQESA-N 0 0 338.359 3.833 50 30 EHEARN CO[C@](C)(C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1 ZINC000071882664 203136200 /nfs/dbraw/zinc/13/62/00/203136200.db2.gz VJVDUJZLZOYQNA-INIZCTEOSA-N 0 0 347.465 3.568 50 30 EHEARN N#Cc1cccnc1N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000071920534 203151438 /nfs/dbraw/zinc/15/14/38/203151438.db2.gz ZMSBUSXHWSDLRI-KRWDZBQOSA-N 0 0 333.370 3.824 50 30 EHEARN CCn1cc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)cc1C#N ZINC000077537846 203394473 /nfs/dbraw/zinc/39/44/73/203394473.db2.gz UFIIHNLSJDMOEE-GOSISDBHSA-N 0 0 337.402 3.732 50 30 EHEARN CCOc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1C(F)(F)F ZINC000096139981 203840657 /nfs/dbraw/zinc/84/06/57/203840657.db2.gz SJAQRAQBKFVBQD-NSHDSACASA-N 0 0 341.333 3.872 50 30 EHEARN CCCCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)cc1 ZINC000098009017 203977015 /nfs/dbraw/zinc/97/70/15/203977015.db2.gz CQWMXZZYZZCEOD-MRXNPFEDSA-N 0 0 346.471 3.843 50 30 EHEARN CC1=CC(=O)C(=C2C[C@@H](c3ccccc3)Nc3ccccc3N2)C(=O)O1 ZINC000102436888 204038481 /nfs/dbraw/zinc/03/84/81/204038481.db2.gz PZVXLTUQUOQBND-DMEQXSTQSA-N 0 0 346.386 3.939 50 30 EHEARN N#Cc1cccc(C(=O)N(Cc2ccsc2)Cc2ccccn2)c1 ZINC000044445943 204300046 /nfs/dbraw/zinc/30/00/46/204300046.db2.gz DXCYDQSKRFFIQS-UHFFFAOYSA-N 0 0 333.416 3.857 50 30 EHEARN C=CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C)cc1 ZINC000016750384 211933062 /nfs/dbraw/zinc/93/30/62/211933062.db2.gz MYJZLMQCKXJVQS-FQEVSTJZSA-N 0 0 345.402 3.822 50 30 EHEARN N#Cc1ccc(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1 ZINC000125873762 205030915 /nfs/dbraw/zinc/03/09/15/205030915.db2.gz HNOWOZLQEBHXLZ-UHFFFAOYSA-N 0 0 327.750 3.544 50 30 EHEARN CCOc1cc(C(=O)Nc2sccc2C#N)ccc1OC(F)F ZINC000003420836 205661636 /nfs/dbraw/zinc/66/16/36/205661636.db2.gz BDESXPZGXXSUIJ-UHFFFAOYSA-N 0 0 338.335 3.872 50 30 EHEARN C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 ZINC000008915637 211016787 /nfs/dbraw/zinc/01/67/87/211016787.db2.gz HUJKJYFVYHNNIJ-UHFFFAOYSA-N 0 0 335.363 3.862 50 30 EHEARN N#Cc1ccc(OCCSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000012784765 207250178 /nfs/dbraw/zinc/25/01/78/207250178.db2.gz AJWWUBRNZWJETO-UHFFFAOYSA-N 0 0 326.425 3.533 50 30 EHEARN CCN(CC)c1ccc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000050647696 257838893 /nfs/dbraw/zinc/83/88/93/257838893.db2.gz MNGBRXPQOLMBCX-GHXNOFRVSA-N 0 0 335.407 3.599 50 30 EHEARN CC(C)[C@@H](C(=O)NCCN1CCc2sccc2C1)c1cccnc1 ZINC000328596046 258043073 /nfs/dbraw/zinc/04/30/73/258043073.db2.gz PNQWCMWQDPXSHJ-GOSISDBHSA-N 0 0 343.496 3.898 50 30 EHEARN Cc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCC3)C2=O)c1 ZINC000013541047 258001894 /nfs/dbraw/zinc/00/18/94/258001894.db2.gz UAUPESXXLJEMCX-UNOMPAQXSA-N 0 0 335.403 3.913 50 30 EHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O ZINC000005967401 258002834 /nfs/dbraw/zinc/00/28/34/258002834.db2.gz HWEFZTVVVCARMW-ZDLGFXPLSA-N 0 0 338.359 3.553 50 30 biogenic EHEARN C=CCN(CCSc1ccccc1)C(=O)c1cccnc1NC ZINC000055060629 258015071 /nfs/dbraw/zinc/01/50/71/258015071.db2.gz MUKXLCPEUBOJFA-UHFFFAOYSA-N 0 0 327.453 3.544 50 30 EHEARN CC(=O)Nc1cccc(Nc2nnc(SCCCC#N)s2)c1 ZINC000032778993 258058309 /nfs/dbraw/zinc/05/83/09/258058309.db2.gz KXVXBLSQIJZBCH-UHFFFAOYSA-N 0 0 333.442 3.636 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NCC(=O)NCc1ccccc1 ZINC000069654683 258063761 /nfs/dbraw/zinc/06/37/61/258063761.db2.gz PMYKQPJUJDJTQN-OAHLLOKOSA-N 0 0 339.464 3.667 50 30 EHEARN CCOc1ccc(-c2nc(CC(=O)N(C)[C@H](C)CC#N)cs2)cc1 ZINC000078421644 258065563 /nfs/dbraw/zinc/06/55/63/258065563.db2.gz YGEQZGMCBGYBEY-CYBMUJFWSA-N 0 0 343.452 3.512 50 30 EHEARN COc1ccc(NC(=O)N(CCC#N)Cc2ccco2)c(Cl)c1 ZINC000095413660 258067132 /nfs/dbraw/zinc/06/71/32/258067132.db2.gz GXVTWNYTPAJGRW-UHFFFAOYSA-N 0 0 333.775 3.889 50 30 EHEARN C=CCN(Cc1ccccc1C)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000055327203 518786306 /nfs/dbraw/zinc/78/63/06/518786306.db2.gz ZXHBSIZNICAECJ-UHFFFAOYSA-N 0 0 346.430 3.525 50 30 EHEARN C=CCNc1nnc(SCC(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000004736741 518966518 /nfs/dbraw/zinc/96/65/18/518966518.db2.gz DVRCKJBKRHLQPO-UHFFFAOYSA-N 0 0 344.465 3.901 50 30 EHEARN C=CC[C@@H](CC)NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000252481897 519095220 /nfs/dbraw/zinc/09/52/20/519095220.db2.gz CUVXMAUUKGDXJX-OAHLLOKOSA-N 0 0 341.411 3.686 50 30 EHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000005254413 521216291 /nfs/dbraw/zinc/21/62/91/521216291.db2.gz IGIOOHFHASRRFP-NJPLLEPOSA-N 0 0 342.347 3.535 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1OC ZINC000005005495 523542443 /nfs/dbraw/zinc/54/24/43/523542443.db2.gz KHZBNBAMBIGBMC-CSKARUKUSA-N 0 0 328.364 3.617 50 30 EHEARN CN(C(=O)CN1CCC[C@@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000014138837 523819135 /nfs/dbraw/zinc/81/91/35/523819135.db2.gz AIGZAYQZFCERIA-OAHLLOKOSA-N 0 0 331.485 3.570 50 30 EHEARN COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000065515342 524056079 /nfs/dbraw/zinc/05/60/79/524056079.db2.gz UZUPSPGXPBAKIB-MDZDMXLPSA-N 0 0 325.339 3.619 50 30 EHEARN Cc1ccc(NC(=O)CSCC#N)c(OCc2ccccc2)c1 ZINC000055785018 525075454 /nfs/dbraw/zinc/07/54/54/525075454.db2.gz GUSGEPAVBSWYTB-UHFFFAOYSA-N 0 0 326.421 3.769 50 30 EHEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC[C@@H]1c1ccccn1 ZINC000077521805 526335641 /nfs/dbraw/zinc/33/56/41/526335641.db2.gz AEIZMSHCGDNRQL-HXUWFJFHSA-N 0 0 346.430 3.952 50 30 EHEARN N#CC1CCC(CNC(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000242324424 526440710 /nfs/dbraw/zinc/44/07/10/526440710.db2.gz ZBEGHDGOQPXBJV-LADRWXRNSA-N 0 0 337.423 3.998 50 30 EHEARN N#C[C@@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1Cl ZINC000005031681 526492208 /nfs/dbraw/zinc/49/22/08/526492208.db2.gz IHRAGUHMFUJAOS-CYBMUJFWSA-N 0 0 337.766 3.634 50 30 EHEARN N#CC(C(=O)COCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000048813505 526504889 /nfs/dbraw/zinc/50/48/89/526504889.db2.gz IDGPMWSNZQWNCT-CYBMUJFWSA-N 0 0 339.782 3.609 50 30 EHEARN Cc1nn(C)c(C)c1C(=O)/C=C/c1ccccc1OCc1cccnc1 ZINC000064925946 527602764 /nfs/dbraw/zinc/60/27/64/527602764.db2.gz NCKYADTUGMSZOV-ZHACJKMWSA-N 0 0 347.418 3.907 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccccc2Cl)C1 ZINC000000067039 563214390 /nfs/dbraw/zinc/21/43/90/563214390.db2.gz PWCCMTSEFZVAAH-HNNXBMFYSA-N 0 0 328.803 3.590 50 30 EHEARN Nc1nc(-c2ccc(Br)cc2)cn1/N=C/c1ccccc1 ZINC000000254964 563267216 /nfs/dbraw/zinc/26/72/16/563267216.db2.gz FUSKBDBJBAYRBC-VXLYETTFSA-N 0 0 341.212 3.777 50 30 EHEARN O=c1c2c3c(sc2ncn1/N=C/c1c[nH]c2ccccc12)CCCC3 ZINC000000324529 563284404 /nfs/dbraw/zinc/28/44/04/563284404.db2.gz HZLPXBSBZHBAIG-LSHDLFTRSA-N 0 0 348.431 3.700 50 30 EHEARN O=C1c2ccc3c4c(ccc(c42)C(=O)N1/N=C/c1ccccc1)CC3 ZINC000000446370 563317346 /nfs/dbraw/zinc/31/73/46/563317346.db2.gz QVHLGSAEVDFGKR-WSDLNYQXSA-N 0 0 326.355 3.569 50 30 EHEARN C=CCOc1ccc(-c2nc(C(=O)N3CCSCC3)cs2)cc1 ZINC000034717141 563464587 /nfs/dbraw/zinc/46/45/87/563464587.db2.gz MZTSSTQRSRZTBA-UHFFFAOYSA-N 0 0 346.477 3.564 50 30 EHEARN CCn1c2ccccc2c2nnc(N=NCc3ccc(F)cc3)nc21 ZINC000003898151 563490983 /nfs/dbraw/zinc/49/09/83/563490983.db2.gz PSEYYEHPZGSTJK-RGVLZGJSSA-N 0 0 334.358 3.585 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1Br ZINC000004851209 563513561 /nfs/dbraw/zinc/51/35/61/563513561.db2.gz UYGULCQHCWSHAM-LLVKDONJSA-N 0 0 348.240 3.696 50 30 EHEARN CO/N=C1/C[C@H](C)Cc2nnc(-c3ccc(Br)cc3)cc21 ZINC000005696410 563545843 /nfs/dbraw/zinc/54/58/43/563545843.db2.gz NQKXIUCEXZBZGY-CMKJFOMVSA-N 0 0 346.228 3.839 50 30 EHEARN Cc1ccc2c(c1)/C(=N/OS(=O)(=O)c1ccccc1)CCS2 ZINC000005815114 563551499 /nfs/dbraw/zinc/55/14/99/563551499.db2.gz FASBCJILQHEBLM-BMRADRMJSA-N 0 0 333.434 3.600 50 30 EHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2)cc1 ZINC000006819624 563587902 /nfs/dbraw/zinc/58/79/02/563587902.db2.gz LVLYLYNABJIPKF-AEFFLSMTSA-N 0 0 347.414 3.700 50 30 EHEARN N/C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)=N/O ZINC000012376922 563659094 /nfs/dbraw/zinc/65/90/94/563659094.db2.gz INGGESJYYPDNKI-UHFFFAOYSA-N 0 0 325.393 3.847 50 30 EHEARN COc1cccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c1OC ZINC000013476403 563699092 /nfs/dbraw/zinc/69/90/92/563699092.db2.gz TYKQZEBWASXTHH-RVDMUPIBSA-N 0 0 340.404 3.595 50 30 EHEARN CCOc1cc(OCc2ccccc2)ccc1/C=C1/C(=O)ON=C1C ZINC000013897387 563728863 /nfs/dbraw/zinc/72/88/63/563728863.db2.gz KTYAKUJTRGQMHU-WOJGMQOQSA-N 0 0 337.375 3.980 50 30 EHEARN COCCN1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 ZINC000004526066 563758502 /nfs/dbraw/zinc/75/85/02/563758502.db2.gz HWWJIHXLZXNKCC-QSEULQJASA-N 0 0 328.393 3.530 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)CO2 ZINC000058201510 563939676 /nfs/dbraw/zinc/93/96/76/563939676.db2.gz INADLFVINDUEAW-WDZFZDKYSA-N 0 0 345.738 3.916 50 30 EHEARN CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-] ZINC000058631415 563947076 /nfs/dbraw/zinc/94/70/76/563947076.db2.gz MRUAUOIMASANKQ-UHFFFAOYSA-O 0 0 343.532 3.575 50 30 in-vitro EHEARN Cc1cc(NC(=O)N(C)[C@H](C)CC#N)nn1-c1ccccc1Cl ZINC000096495608 563955689 /nfs/dbraw/zinc/95/56/89/563955689.db2.gz GPEFCLKHGBNTML-LLVKDONJSA-N 0 0 331.807 3.600 50 30 EHEARN N#CCCn1ccc(NC(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000097164598 563968488 /nfs/dbraw/zinc/96/84/88/563968488.db2.gz AMFFBSNYOABQOD-UHFFFAOYSA-N 0 0 337.355 3.755 50 30 EHEARN N#Cc1cc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c[nH]1 ZINC000097233361 563970777 /nfs/dbraw/zinc/97/07/77/563970777.db2.gz QYAPZEDXWLTGHJ-UHFFFAOYSA-N 0 0 345.406 3.677 50 30 EHEARN COc1cc(C#N)cc(Br)c1OCCc1ccccc1 ZINC000004751439 563973131 /nfs/dbraw/zinc/97/31/31/563973131.db2.gz ZUMDJPCXQKQSEZ-UHFFFAOYSA-N 0 0 332.197 3.951 50 30 EHEARN COc1cnccc1[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000187578848 563973623 /nfs/dbraw/zinc/97/36/23/563973623.db2.gz IEAABWGWOMSTRP-CYBMUJFWSA-N 0 0 338.411 3.774 50 30 EHEARN CN1C(=O)/C(=C/c2ccc(-c3ccccc3C#N)o2)SC1=S ZINC000098087017 563974605 /nfs/dbraw/zinc/97/46/05/563974605.db2.gz SHWAUGSHMCPPLZ-ZSOIEALJSA-N 0 0 326.402 3.649 50 30 EHEARN CCCC(Nc1ccccc1)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100464129 563982625 /nfs/dbraw/zinc/98/26/25/563982625.db2.gz MLTIXQLVYSNMBK-ZQHZRZASSA-N 0 0 343.423 3.510 50 30 EHEARN N#Cc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1 ZINC000014121124 563983249 /nfs/dbraw/zinc/98/32/49/563983249.db2.gz HHMMXALALPHCIG-UHFFFAOYSA-N 0 0 327.290 3.660 50 30 EHEARN Cc1cc(N=CC(N=Nc2ccccc2)C(=O)c2ccccc2)n[nH]1 ZINC000103829231 563983451 /nfs/dbraw/zinc/98/34/51/563983451.db2.gz INCQIPPNTGKWPG-KELYRIONSA-N 0 0 331.379 3.771 50 30 EHEARN CN(CC(=O)N[C@H]1CCOC(C)(C)C1)c1nc2ccccc2s1 ZINC000328589701 563984204 /nfs/dbraw/zinc/98/42/04/563984204.db2.gz ILDPDVWIAXGEIB-LBPRGKRZSA-N 0 0 333.457 3.647 50 30 EHEARN CN1CCc2c(C#N)c(/N=C/c3cc(Cl)ccc3O)sc2C1 ZINC000004837329 563984208 /nfs/dbraw/zinc/98/42/08/563984208.db2.gz ZERULFNGSDSXQC-UFWORHAWSA-N 0 0 331.828 3.717 50 30 EHEARN Cc1nc(SCC(=O)NC2CCCCC2)c(C#N)c(C)c1Cl ZINC000000118917 563986738 /nfs/dbraw/zinc/98/67/38/563986738.db2.gz KQCYEWZXSYUCBW-UHFFFAOYSA-N 0 0 337.876 3.765 50 30 EHEARN COC(=O)CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2 ZINC000000121770 563986813 /nfs/dbraw/zinc/98/68/13/563986813.db2.gz JGDDLGRMLWKQSF-UHFFFAOYSA-N 0 0 342.420 3.666 50 30 EHEARN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCC#N ZINC000055737132 563987018 /nfs/dbraw/zinc/98/70/18/563987018.db2.gz XBYRKLPLPOAIPN-UHFFFAOYSA-N 0 0 331.268 3.987 50 30 EHEARN COc1ccc(C(=O)C=CNc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100257961 563991948 /nfs/dbraw/zinc/99/19/48/563991948.db2.gz PJZYIYOXTMCZCX-MDZDMXLPSA-N 0 0 343.379 3.530 50 30 EHEARN Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000004907736 563992367 /nfs/dbraw/zinc/99/23/67/563992367.db2.gz PWTAJCXUVVXLSP-SPIFRSATSA-N 0 0 337.448 3.849 50 30 EHEARN Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000004907742 563992384 /nfs/dbraw/zinc/99/23/84/563992384.db2.gz PWTAJCXUVVXLSP-VRYAQOKTSA-N 0 0 337.448 3.849 50 30 EHEARN Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)no1 ZINC000408512846 563992703 /nfs/dbraw/zinc/99/27/03/563992703.db2.gz PQYJLVCCMNROGV-LJQANCHMSA-N 0 0 347.374 3.557 50 30 EHEARN N#C[C@H](C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc2ccccc2[nH]1 ZINC000408513920 563992804 /nfs/dbraw/zinc/99/28/04/563992804.db2.gz GYHYOWKIFZLUEK-DLBZAZTESA-N 0 0 345.402 3.947 50 30 EHEARN C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1)OCC ZINC000270110350 563997704 /nfs/dbraw/zinc/99/77/04/563997704.db2.gz SJZQTASHAVWTDE-ROUUACIJSA-N 0 0 341.455 3.906 50 30 EHEARN CCc1cc(SCc2nnc(C)o2)n2c3ccccc3nc2c1C#N ZINC000005312158 564002540 /nfs/dbraw/zinc/00/25/40/564002540.db2.gz DVJYIRXHVHTMDV-UHFFFAOYSA-N 0 0 349.419 3.905 50 30 EHEARN CC[C@](C)(C#CCN1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000061997645 564002627 /nfs/dbraw/zinc/00/26/27/564002627.db2.gz KBFGKQRTONEQHI-VQTJNVASSA-N 0 0 325.456 3.711 50 30 biogenic EHEARN CC(=O)OC1(C#CCN2CCCC[C@@H]2c2cccnc2)CCCCC1 ZINC000061997003 564002849 /nfs/dbraw/zinc/00/28/49/564002849.db2.gz WCUBXUJRFAEODR-HXUWFJFHSA-N 0 0 340.467 3.878 50 30 biogenic EHEARN COc1cc(C(=O)OCc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000005429878 564003929 /nfs/dbraw/zinc/00/39/29/564003929.db2.gz VEEQPRJJNKGVFF-UHFFFAOYSA-N 0 0 331.755 3.586 50 30 EHEARN COc1cccc([C@@H]2C3=C(NC(C)=C2C(C)=O)c2ccccc2C3=O)c1 ZINC000018030398 564017688 /nfs/dbraw/zinc/01/76/88/564017688.db2.gz ZVVHRGLAYPUVSJ-IBGZPJMESA-N 0 0 345.398 3.853 50 30 EHEARN CCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccccc2)N1 ZINC000000521014 564020998 /nfs/dbraw/zinc/02/09/98/564020998.db2.gz SYBULBLSEISGEH-KRWDZBQOSA-N 0 0 345.406 3.681 50 30 EHEARN CCOc1ccccc1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000103030373 564021218 /nfs/dbraw/zinc/02/12/18/564021218.db2.gz VQZZKPPVLRSLIP-QXMHVHEDSA-N 0 0 327.380 3.911 50 30 EHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CC)cc1 ZINC000103504681 564022600 /nfs/dbraw/zinc/02/26/00/564022600.db2.gz WEVAIAUPJBHSMP-INIZCTEOSA-N 0 0 336.391 3.609 50 30 EHEARN C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000048236076 564030175 /nfs/dbraw/zinc/03/01/75/564030175.db2.gz LVLWJMFLBVLYBA-NSHDSACASA-N 0 0 336.351 3.524 50 30 EHEARN CCOc1ccc(C(=O)/C=C/c2csc(-c3ncccn3)n2)cc1 ZINC000048374978 564031637 /nfs/dbraw/zinc/03/16/37/564031637.db2.gz TYUHFBRTBABBDE-RMKNXTFCSA-N 0 0 337.404 3.895 50 30 EHEARN Cc1nc(C=CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cs1 ZINC000048822666 564032266 /nfs/dbraw/zinc/03/22/66/564032266.db2.gz FJFZZJWSMBEWOP-NNNHXZLVSA-N 0 0 325.418 3.951 50 30 EHEARN COc1ccccc1C=CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828597 564032297 /nfs/dbraw/zinc/03/22/97/564032297.db2.gz BNVBDEMPOSOONH-MRZGDXHCSA-N 0 0 346.308 3.999 50 30 EHEARN COC[C@@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000113570118 564032852 /nfs/dbraw/zinc/03/28/52/564032852.db2.gz ITXDUSGQRNASAI-HUUCEWRRSA-N 0 0 347.484 3.829 50 30 EHEARN C=CCOC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002891949 564035963 /nfs/dbraw/zinc/03/59/63/564035963.db2.gz KZTDYTTWUXLYSC-UHFFFAOYSA-N 0 0 336.343 3.568 50 30 EHEARN COc1cc(C)c(Br)cc1NC(=O)C1(C#N)CCCC1 ZINC000183930084 564058002 /nfs/dbraw/zinc/05/80/02/564058002.db2.gz MREWICAAVJBLDD-UHFFFAOYSA-N 0 0 337.217 3.789 50 30 EHEARN N#Cc1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)Cl ZINC000002766615 564062585 /nfs/dbraw/zinc/06/25/85/564062585.db2.gz DMZSGQCIHNITHM-NWDGAFQWSA-N 0 0 326.709 3.823 50 30 EHEARN C=C(C)CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000001320642 564063183 /nfs/dbraw/zinc/06/31/83/564063183.db2.gz AGOPMTDEXLWBMH-QFIPXVFZSA-N 0 0 349.430 3.687 50 30 EHEARN CO/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000001400742 564064985 /nfs/dbraw/zinc/06/49/85/564064985.db2.gz WSFDVVJXFPOMOX-CYVLTUHYSA-N 0 0 335.190 3.891 50 30 EHEARN C=CCn1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000000095074 564074482 /nfs/dbraw/zinc/07/44/82/564074482.db2.gz KAFHNEVATKGVQX-QGOAFFKASA-N 0 0 343.386 3.925 50 30 EHEARN C=CCn1c([C@H](NC(=O)c2ccc(C)cc2)C(C)C)n[nH]c1=S ZINC000000366584 564074526 /nfs/dbraw/zinc/07/45/26/564074526.db2.gz FNTGOZDOXJPMIT-CQSZACIVSA-N 0 0 330.457 3.562 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2O)SC1=S ZINC000001201588 564074658 /nfs/dbraw/zinc/07/46/58/564074658.db2.gz FTIKEOKEMKHROZ-XNTDXEJSSA-N 0 0 348.493 3.626 50 30 EHEARN C=CCNC(=S)N1CCc2sccc2[C@H]1c1ccc(OC)cc1 ZINC000002150463 564074815 /nfs/dbraw/zinc/07/48/15/564074815.db2.gz HESGRRFFTWHNMB-QGZVFWFLSA-N 0 0 344.505 3.765 50 30 EHEARN N#C[C@@H]1C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]12 ZINC000016039171 564079457 /nfs/dbraw/zinc/07/94/57/564079457.db2.gz NNPCLIFHNIPTRX-SNRMKQJTSA-N 0 0 345.358 3.592 50 30 EHEARN COc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)cc(OC)c1O ZINC000063874992 564082993 /nfs/dbraw/zinc/08/29/93/564082993.db2.gz XJWZDOOKTLYCRT-BQYQJAHWSA-N 0 0 344.411 3.700 50 30 EHEARN COc1ccccc1OCC#CCNC(=O)Nc1cccc(Cl)c1 ZINC000090610415 564084953 /nfs/dbraw/zinc/08/49/53/564084953.db2.gz WOBIXIDHNSLUOA-UHFFFAOYSA-N 0 0 344.798 3.553 50 30 EHEARN COc1ccc(NC(C)=CC(=O)c2cc(OC)ccc2OC)cc1 ZINC000103852393 564086467 /nfs/dbraw/zinc/08/64/67/564086467.db2.gz LNBIACLWRGPHOJ-QBFSEMIESA-N 0 0 327.380 3.911 50 30 EHEARN N#Cc1ccc(NC(=O)COC(=O)c2ccc3ccccc3c2)cc1 ZINC000006460876 564089215 /nfs/dbraw/zinc/08/92/15/564089215.db2.gz IWHVHGXYJXRPEJ-UHFFFAOYSA-N 0 0 330.343 3.507 50 30 EHEARN N#Cc1cccc(OCCCCC(=O)NCc2nc3ccccc3o2)c1 ZINC000354733406 564091118 /nfs/dbraw/zinc/09/11/18/564091118.db2.gz PVOIFMDTQIMOCA-UHFFFAOYSA-N 0 0 349.390 3.565 50 30 EHEARN COc1ccc2c(c1)ncc(C#N)c2Nc1ccc2c(c1)OCCO2 ZINC000064438714 564091296 /nfs/dbraw/zinc/09/12/96/564091296.db2.gz JIJFIILRHKXCDQ-UHFFFAOYSA-N 0 0 333.347 3.630 50 30 EHEARN COc1ccc(C#N)cc1NC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000064743244 564095784 /nfs/dbraw/zinc/09/57/84/564095784.db2.gz CDZZPFRRQNHUTC-UHFFFAOYSA-N 0 0 346.390 3.638 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000065028750 564099679 /nfs/dbraw/zinc/09/96/79/564099679.db2.gz FUQDKFIGKXDNHB-UHFFFAOYSA-N 0 0 345.406 3.846 50 30 EHEARN CCN(CC)C(=O)[C@@H](Oc1ccc(C#N)cc1OC)c1ccccc1 ZINC000007186830 564105633 /nfs/dbraw/zinc/10/56/33/564105633.db2.gz CBJKIHGHWMGPKF-IBGZPJMESA-N 0 0 338.407 3.555 50 30 EHEARN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccccc2)CC1 ZINC000007417863 564108153 /nfs/dbraw/zinc/10/81/53/564108153.db2.gz FBROXIKNQDEZRS-INIZCTEOSA-N 0 0 331.419 3.675 50 30 EHEARN Cc1ccc(Cl)c(NCC(=O)N[C@@](C)(C#N)C(C)C)c1Cl ZINC000170616334 564110051 /nfs/dbraw/zinc/11/00/51/564110051.db2.gz ASJOOLCNRZAVDV-HNNXBMFYSA-N 0 0 328.243 3.768 50 30 EHEARN NC(=NOCc1cc(F)cc2cccnc21)c1cccc(Cl)c1 ZINC000071817039 564111232 /nfs/dbraw/zinc/11/12/32/564111232.db2.gz PAJRIZUFBOIBSI-UHFFFAOYSA-N 0 0 329.762 3.864 50 30 EHEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3cccc(O)c3)n2)cc1 ZINC000004550926 564111721 /nfs/dbraw/zinc/11/17/21/564111721.db2.gz XOEDVDWIAJYZDX-RQZCQDPDSA-N 0 0 340.364 3.870 50 30 EHEARN N#Cc1nc(-c2ccccc2)oc1N1CCN(c2ccccc2)CC1 ZINC000016742342 564112991 /nfs/dbraw/zinc/11/29/91/564112991.db2.gz QRGLGKBNWHCTTF-UHFFFAOYSA-N 0 0 330.391 3.540 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000089797688 564113876 /nfs/dbraw/zinc/11/38/76/564113876.db2.gz BFNZXOLNMPUDRS-UHFFFAOYSA-N 0 0 337.379 3.746 50 30 EHEARN CC(=O)[C@H]1C(=O)c2cc([N+](=O)[O-])ccc2/C1=N\c1cccc(Cl)c1 ZINC000101407244 564119434 /nfs/dbraw/zinc/11/94/34/564119434.db2.gz LARNELFPDHMAOY-ZBQKJFDRSA-N 0 0 342.738 3.771 50 30 EHEARN CCOC(=O)/C(=N/Nc1ccc(C)cc1)N1CCCc2ccccc21 ZINC000002202123 564120948 /nfs/dbraw/zinc/12/09/48/564120948.db2.gz UAUIAPHBWFLDEY-QOCHGBHMSA-N 0 0 337.423 3.736 50 30 EHEARN CCc1c(O)c(C(C)=NO)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000252601723 564121164 /nfs/dbraw/zinc/12/11/64/564121164.db2.gz FCAXIMLOEHPSKC-UHFFFAOYSA-N 0 0 348.402 3.971 50 30 aggregator EHEARN CC(=NO)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000252610376 564121460 /nfs/dbraw/zinc/12/14/60/564121460.db2.gz IBELVYVTRSBECF-UHFFFAOYSA-N 0 0 334.375 3.717 50 30 EHEARN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccoc1Br ZINC000194661085 564121801 /nfs/dbraw/zinc/12/18/01/564121801.db2.gz ZVQIAIFSUWWNBA-INIZCTEOSA-N 0 0 347.212 3.687 50 30 EHEARN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1ccccn1 ZINC000066230666 564125441 /nfs/dbraw/zinc/12/54/41/564125441.db2.gz TVEQLOTWBPBBQN-RYUDHWBXSA-N 0 0 334.297 3.744 50 30 EHEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000055161126 564132538 /nfs/dbraw/zinc/13/25/38/564132538.db2.gz AARNXMRADQFOEB-CAYFNDFTSA-N 0 0 330.468 3.694 50 30 EHEARN COC(=O)c1sc(NC(=O)c2cc3ccccc3o2)c(C#N)c1C ZINC000000108457 564132847 /nfs/dbraw/zinc/13/28/47/564132847.db2.gz CGMJBFIQJUAMRX-UHFFFAOYSA-N 0 0 340.360 3.713 50 30 EHEARN CCc1ncc(-c2c(C)c(-c3ccc(OC)cc3)nc(N)c2C#N)cn1 ZINC000067842662 564134937 /nfs/dbraw/zinc/13/49/37/564134937.db2.gz GSZFYCQDRWTGOS-UHFFFAOYSA-N 0 0 345.406 3.539 50 30 EHEARN N#Cc1ccnc(N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)c1 ZINC000067921713 564134954 /nfs/dbraw/zinc/13/49/54/564134954.db2.gz URZLIIZRTXVFFQ-UHFFFAOYSA-N 0 0 347.397 3.866 50 30 EHEARN C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000012987191 564135767 /nfs/dbraw/zinc/13/57/67/564135767.db2.gz CSCMFUFTVZHXOL-KBPBESRZSA-N 0 0 334.375 3.949 50 30 EHEARN CCOc1cc(-c2cc(-c3ccccc3)nc(N)c2C#N)ccc1O ZINC000019095774 564136436 /nfs/dbraw/zinc/13/64/36/564136436.db2.gz FHETWNQRNKXWAN-UHFFFAOYSA-N 0 0 331.375 3.974 50 30 EHEARN Cc1nc([C@H]2CCCN2C(=O)Nc2cnc(C)nc2C2CC2)cs1 ZINC000328587533 564136526 /nfs/dbraw/zinc/13/65/26/564136526.db2.gz AFDSWCWUTGGHRG-OAHLLOKOSA-N 0 0 343.456 3.810 50 30 EHEARN Cc1cc(CNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)n(C)n1 ZINC000328590592 564136716 /nfs/dbraw/zinc/13/67/16/564136716.db2.gz CVURQXKKCMWWGB-LLVKDONJSA-N 0 0 340.349 3.512 50 30 EHEARN O=C(N[C@@H]1CCCC12CCOCC2)N1CCCC[C@@H]1c1nccs1 ZINC000328703032 564137196 /nfs/dbraw/zinc/13/71/96/564137196.db2.gz JWQXFJMFXDHIFI-HUUCEWRRSA-N 0 0 349.500 3.933 50 30 EHEARN C[C@@H](c1cccc(F)c1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000095365011 564139302 /nfs/dbraw/zinc/13/93/02/564139302.db2.gz SXFTXFMXMPUHKD-AWEZNQCLSA-N 0 0 327.378 3.720 50 30 EHEARN C[C@H](c1cccc(F)c1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000095365012 564139330 /nfs/dbraw/zinc/13/93/30/564139330.db2.gz SXFTXFMXMPUHKD-CQSZACIVSA-N 0 0 327.378 3.720 50 30 EHEARN CC(=O)c1ccc(C(=O)Nc2n[nH]c(-c3sccc3C)n2)cc1 ZINC000095395260 564139445 /nfs/dbraw/zinc/13/94/45/564139445.db2.gz TYFDFAGJGJDBNK-UHFFFAOYSA-N 0 0 326.381 3.681 50 30 EHEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1c(C)nn(C(C)C)c1C)C2 ZINC000095478899 564141507 /nfs/dbraw/zinc/14/15/07/564141507.db2.gz DCWMFBKWRMYRPQ-NVNXTCNLSA-N 0 0 340.423 3.920 50 30 EHEARN CCCCCCCCCCCCS[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000095870223 564141909 /nfs/dbraw/zinc/14/19/09/564141909.db2.gz AGKMSAQHASAIOF-JKSUJKDBSA-N 0 0 336.563 3.798 50 30 EHEARN Cc1cc(CN(C)C(=O)c2ccccc2Oc2ccccc2C#N)no1 ZINC000095994277 564144193 /nfs/dbraw/zinc/14/41/93/564144193.db2.gz CVKBIYLAATUSDI-UHFFFAOYSA-N 0 0 347.374 3.919 50 30 EHEARN COc1ccc(-c2nc3c([nH]2)CN(Cc2cccc(C#N)c2)CC3)cc1 ZINC000096138680 564145727 /nfs/dbraw/zinc/14/57/27/564145727.db2.gz ACFAVHJJCRARMD-UHFFFAOYSA-N 0 0 344.418 3.515 50 30 EHEARN N#Cc1ccsc1C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000096403413 564147154 /nfs/dbraw/zinc/14/71/54/564147154.db2.gz POKQQDWLDKHGBJ-UHFFFAOYSA-N 0 0 347.443 3.900 50 30 EHEARN N#CCc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000096446397 564148248 /nfs/dbraw/zinc/14/82/48/564148248.db2.gz XTCUQVHUIJGMNG-WOJBJXKFSA-N 0 0 349.434 3.873 50 30 EHEARN CCO[C@@H](C)c1nc(Cc2noc(-c3cccc(C#N)c3)n2)cs1 ZINC000225597561 564149875 /nfs/dbraw/zinc/14/98/75/564149875.db2.gz JUUWCPIXRJYSRF-NSHDSACASA-N 0 0 340.408 3.753 50 30 EHEARN Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)nc(C)c1C ZINC000002662201 564152055 /nfs/dbraw/zinc/15/20/55/564152055.db2.gz MUZIFIVYPVZLRC-UHFFFAOYSA-N 0 0 346.843 3.658 50 30 EHEARN O=C1c2ccc(OC[C@@H]3CO3)cc2O/C1=C\c1ccccc1Cl ZINC000057312297 564153509 /nfs/dbraw/zinc/15/35/09/564153509.db2.gz YLJZMJQBLFEHEJ-QDLULRBISA-N 0 0 328.751 3.734 50 30 EHEARN CCn1cc(/C=C2/Oc3cc(O)ccc3C2=O)c2cc(OC)ccc21 ZINC000008765059 564167359 /nfs/dbraw/zinc/16/73/59/564167359.db2.gz PQUZJYJVDVRAQO-UFWORHAWSA-N 0 0 335.359 3.992 50 30 biogenic EHEARN N#C[C@@H](NC(=O)c1ccc(-c2cnco2)cc1)c1ccc(F)cc1F ZINC000068402243 564167586 /nfs/dbraw/zinc/16/75/86/564167586.db2.gz MCGFHUPTZMACOV-MRXNPFEDSA-N 0 0 339.301 3.614 50 30 EHEARN CCOc1cccc([C@@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000068843368 564167737 /nfs/dbraw/zinc/16/77/37/564167737.db2.gz VCFHUXUHJXHCQF-OAHLLOKOSA-N 0 0 337.423 3.860 50 30 EHEARN CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)CC(C)(C)CC1=N2 ZINC000008914696 564167914 /nfs/dbraw/zinc/16/79/14/564167914.db2.gz WTDDKFMWBRNPNW-ZDUSSCGKSA-N 0 0 346.481 3.720 50 30 EHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000009576991 564174185 /nfs/dbraw/zinc/17/41/85/564174185.db2.gz XCNPIIILFOSWGF-FFCYNSPCSA-N 0 0 344.388 3.695 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000042712369 564175206 /nfs/dbraw/zinc/17/52/06/564175206.db2.gz QRHLGPXYGMNMEO-UHFFFAOYSA-N 0 0 339.395 3.615 50 30 EHEARN COc1ccc(/C=C\C(=O)c2cccc(N3CCOCC3)c2)cc1C ZINC000098002289 1016817571 /nfs/dbraw/zinc/81/75/71/1016817571.db2.gz NNZUICALBAGODD-VURMDHGXSA-N 0 0 337.419 3.736 50 30 EHEARN C#CCOc1ccc(/C=C2/SC(=O)N(CCC)C2=O)cc1OCC ZINC000005891223 1027282395 /nfs/dbraw/zinc/28/23/95/1027282395.db2.gz SDQOKBQDYXPLKQ-FOWTUZBSSA-N 0 0 345.420 3.544 50 30 EHEARN CCCCC1CCC(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000006917155 1030043527 /nfs/dbraw/zinc/04/35/27/1030043527.db2.gz YKHDRFZCKUMTON-RJYAGPCLSA-N 0 0 336.476 3.581 50 30 EHEARN O=S(=O)(N=C(Nc1ccccc1)c1ccccc1)c1cccs1 ZINC000013125443 1034660292 /nfs/dbraw/zinc/66/02/92/1034660292.db2.gz PWYQCGZHLMERNY-UHFFFAOYSA-N 0 0 342.445 3.996 50 30 EHEARN Cn1ncc2c1CC/C(=C/c1ccc(-c3ccccc3[N+](=O)[O-])o1)C2=O ZINC000044027500 1039012614 /nfs/dbraw/zinc/01/26/14/1039012614.db2.gz RXMQXMLRVZXITH-BENRWUELSA-N 0 0 349.346 3.801 50 30 EHEARN CC(C)c1ccc2c(c1)C(=NNC(=S)NC1CCCCC1)C(=O)N2 ZINC000006459507 1043303344 /nfs/dbraw/zinc/30/33/44/1043303344.db2.gz MVZPRSSMTXNOLZ-UHFFFAOYSA-N 0 0 344.484 3.913 50 30 EHEARN COc1ccc(-c2noc(COc3ccc(C#N)cc3Cl)n2)cc1 ZINC000007857678 1123950738 /nfs/dbraw/zinc/95/07/38/1123950738.db2.gz PFUZYFARGNNWTF-UHFFFAOYSA-N 0 0 341.754 3.849 50 30 EHEARN C=CCOc1cc(Cl)c(CN2CCO[C@@H](CC)C2)cc1OC ZINC000820491562 1130875299 /nfs/dbraw/zinc/87/52/99/1130875299.db2.gz RKALPSYWJRYPMW-AWEZNQCLSA-N 0 0 325.836 3.524 50 30 EHEARN Cc1cc(Br)cnc1-c1noc(C2(C#N)CCCCC2)n1 ZINC000585120429 1137012184 /nfs/dbraw/zinc/01/21/84/1137012184.db2.gz NEGRDPCSWGUTMX-UHFFFAOYSA-N 0 0 347.216 3.928 50 30 EHEARN C=CCO/N=C(\CCC)[C@H]1C(=O)CC(C)(C)[C@@H](c2cc(C)no2)C1=O ZINC000220132668 1137021993 /nfs/dbraw/zinc/02/19/93/1137021993.db2.gz OQEPSMZDIMALMK-KSZYVRDXSA-N 0 0 346.427 3.610 50 30 EHEARN CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(N)cc1 ZINC000000359955 1137869543 /nfs/dbraw/zinc/86/95/43/1137869543.db2.gz NSRMFWKWNBNOCR-UHFFFAOYSA-N 0 0 335.436 3.711 50 30 EHEARN CN(C)[P@@](=O)(C(=Nc1ccccc1)N1CCCC1)N1CCCC1 ZINC000886013270 1138032259 /nfs/dbraw/zinc/03/22/59/1138032259.db2.gz FHCNACFDJKNIJX-QHCPKHFHSA-N 0 0 334.404 3.620 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)c(OC)c1 ZINC000005128072 1138258355 /nfs/dbraw/zinc/25/83/55/1138258355.db2.gz BCVSWQLGQFVHJC-QPJJXVBHSA-N 0 0 348.782 3.968 50 30 EHEARN CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(CC#N)cc1 ZINC000053849479 214202903 /nfs/dbraw/zinc/20/29/03/214202903.db2.gz FGJZYIKIVRNOMI-QGZVFWFLSA-N 0 0 340.448 3.729 50 30 EHEARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1sccc1C#N ZINC000007093846 201712381 /nfs/dbraw/zinc/71/23/81/201712381.db2.gz KKRZLZVRBPBFSM-SNVBAGLBSA-N 0 0 342.449 3.626 50 30 EHEARN N=C1NC(C(F)(F)F)(C(F)(F)F)/C(=C(\F)C(F)(F)F)S1 ZINC000101393041 219125937 /nfs/dbraw/zinc/12/59/37/219125937.db2.gz OGELJEFHVDSCEV-OWOJBTEDSA-N 0 0 336.154 3.864 50 30 EHEARN CN(Cc1cccc(F)c1)C(=O)CSCc1cccc(C#N)c1 ZINC000007846114 201731023 /nfs/dbraw/zinc/73/10/23/201731023.db2.gz FAKIMMOVIZGVOE-UHFFFAOYSA-N 0 0 328.412 3.589 50 30 EHEARN COCc1cc(C)nc(SCC(=O)c2ccc(F)cc2)c1C#N ZINC000009096417 201767596 /nfs/dbraw/zinc/76/75/96/201767596.db2.gz HTSNIJLXGCABIQ-UHFFFAOYSA-N 0 0 330.384 3.522 50 30 EHEARN C#CCCCn1cnc(N)c2nc(Sc3ccc(C)cc3C)nc1-2 ZINC000103552638 219313413 /nfs/dbraw/zinc/31/34/13/219313413.db2.gz IIQUFGUOGYICIJ-UHFFFAOYSA-N 0 0 337.452 3.542 50 30 in-vitro EHEARN Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)oc2c1c(C)ccc2C ZINC000103717412 219320850 /nfs/dbraw/zinc/32/08/50/219320850.db2.gz ZGDYQFNMMKWNKT-CQSZACIVSA-N 0 0 347.374 3.714 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccco2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019867266 202024410 /nfs/dbraw/zinc/02/44/10/202024410.db2.gz RMSPBZUSQYFYNJ-SFHVURJKSA-N 0 0 343.423 3.835 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC(F)F)cc1)CO2 ZINC000022958076 202097096 /nfs/dbraw/zinc/09/70/96/202097096.db2.gz IWAUUWVYPHXYKU-XYOKQWHBSA-N 0 0 332.302 3.955 50 30 EHEARN N#Cc1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000024049381 202111976 /nfs/dbraw/zinc/11/19/76/202111976.db2.gz YYXUNKDCWSZSTA-UHFFFAOYSA-N 0 0 338.363 3.969 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(Cl)s1 ZINC000025523292 202133713 /nfs/dbraw/zinc/13/37/13/202133713.db2.gz WZTGUNCNGDLLHX-UHFFFAOYSA-N 0 0 345.811 3.895 50 30 EHEARN C=CCOc1ccc(CN=Nc2oc(C(=C)C)nc2C#N)cc1OC ZINC000027562513 202157034 /nfs/dbraw/zinc/15/70/34/202157034.db2.gz UMDNKFJMSFIFQI-RGVLZGJSSA-N 0 0 338.367 3.599 50 30 EHEARN COc1ccc(C(=O)/C=C2/Sc3cc4c(cc3N2C)OCO4)cc1 ZINC000033316346 202256971 /nfs/dbraw/zinc/25/69/71/202256971.db2.gz FIWZFLHIRYSPQG-QGMBQPNBSA-N 0 0 341.388 3.690 50 30 EHEARN C#CCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccccc1Cl ZINC000032934578 212877538 /nfs/dbraw/zinc/87/75/38/212877538.db2.gz XMEFZEGWNGHRFM-KRWDZBQOSA-N 0 0 345.851 3.651 50 30 EHEARN CCc1cc(NC(=O)c2cccc(C#N)c2)nn1-c1cccc(C)c1 ZINC000034907421 202280466 /nfs/dbraw/zinc/28/04/66/202280466.db2.gz QZCQXPDWYKIWNQ-UHFFFAOYSA-N 0 0 330.391 3.867 50 30 EHEARN C=CCn1c([C@H](NC(=O)c2cccc(C)c2)C(C)C)n[nH]c1=S ZINC000000366582 209554411 /nfs/dbraw/zinc/55/44/11/209554411.db2.gz RXOZSALAHQKYOI-CQSZACIVSA-N 0 0 330.457 3.562 50 30 EHEARN CC(=O)[C@@H]1C[C@H](C)[C@@H]2[C@@H]3C[C@@H]4O[C@@]45CC[C@@H](O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000253502305 201188253 /nfs/dbraw/zinc/18/82/53/201188253.db2.gz BUDKLYQSLDHSFY-JKHUBNPJSA-N 0 0 346.511 3.973 50 30 EHEARN CCOc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O ZINC000005906356 201361565 /nfs/dbraw/zinc/36/15/65/201361565.db2.gz JFJSPIGVUNVRID-ZDLGFXPLSA-N 0 0 326.348 3.719 50 30 biogenic EHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O ZINC000000545239 201359042 /nfs/dbraw/zinc/35/90/42/201359042.db2.gz DMLSYBBJQZGMGW-CCOVPTLTSA-N 0 0 338.359 3.552 50 30 EHEARN N#Cc1cc(NC(=O)NCCCOCc2ccco2)ccc1Cl ZINC000043912928 202518107 /nfs/dbraw/zinc/51/81/07/202518107.db2.gz LNVNYEOKGSBUSQ-UHFFFAOYSA-N 0 0 333.775 3.533 50 30 EHEARN CCOc1ccc(C(=O)C=CNc2ccc3c(c2)OCCO3)cc1 ZINC000051318799 202639082 /nfs/dbraw/zinc/63/90/82/202639082.db2.gz COEGAWGQOXVRDR-MDZDMXLPSA-N 0 0 325.364 3.665 50 30 EHEARN CC[C@@H](C(=O)N1CCC(Nc2ncccc2C#N)CC1)c1ccccc1 ZINC000058291865 202752441 /nfs/dbraw/zinc/75/24/41/202752441.db2.gz QBSBWZCPPRKNDO-LJQANCHMSA-N 0 0 348.450 3.550 50 30 EHEARN COCCn1c(C)c(C)nc1SCc1cn2ccccc2c1C#N ZINC000058357447 202760479 /nfs/dbraw/zinc/76/04/79/202760479.db2.gz OYPZTUPYBRUYFK-UHFFFAOYSA-N 0 0 340.452 3.563 50 30 EHEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1C[C@H]1CCCO1 ZINC000000073596 201429673 /nfs/dbraw/zinc/42/96/73/201429673.db2.gz XWQNJQVJMVEGNN-MRXNPFEDSA-N 0 0 335.403 3.664 50 30 EHEARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(C#N)c1 ZINC000021963516 212266515 /nfs/dbraw/zinc/26/65/15/212266515.db2.gz WCBJXKSWBSMWPE-UHFFFAOYSA-N 0 0 333.435 3.821 50 30 EHEARN N#Cc1cccc(C(=O)N2CCS[C@@H](c3cccs3)CC2)c1 ZINC000219502076 241392046 /nfs/dbraw/zinc/39/20/46/241392046.db2.gz NIIKITNBARMPAF-MRXNPFEDSA-N 0 0 328.462 3.940 50 30 EHEARN N#Cc1cc(Oc2ccc(-n3cccc3)cc2)c([N+](=O)[O-])cc1C#N ZINC000001427836 201508883 /nfs/dbraw/zinc/50/88/83/201508883.db2.gz RLUOZBFIWZSMBL-UHFFFAOYSA-N 0 0 330.303 3.921 50 30 EHEARN CC1=NOC(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000004501443 201603576 /nfs/dbraw/zinc/60/35/76/201603576.db2.gz LJCQXDNXDUYAJM-YBEGLDIGSA-N 0 0 339.347 3.828 50 30 EHEARN N#CNC(=NC1(c2cccc(Cl)c2)CCC1)Nc1cccnc1 ZINC000003946466 201585382 /nfs/dbraw/zinc/58/53/82/201585382.db2.gz UNKNNJPCQUDLMW-UHFFFAOYSA-N 0 0 325.803 3.653 50 30 EHEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)cc3)S2)cc1 ZINC000004704731 201613312 /nfs/dbraw/zinc/61/33/12/201613312.db2.gz DUYDPAGDPNXPLV-LFIBNONCSA-N 0 0 340.404 3.683 50 30 EHEARN C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(F)cc1 ZINC000005812733 201663904 /nfs/dbraw/zinc/66/39/04/201663904.db2.gz NUOXCKJIMCDZMM-LBPRGKRZSA-N 0 0 326.327 3.596 50 30 EHEARN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1ccccn1 ZINC000069744332 203046480 /nfs/dbraw/zinc/04/64/80/203046480.db2.gz WPFTXERAYGFMQS-KFWWJZLASA-N 0 0 341.208 3.824 50 30 EHEARN C/C=C(\C)C(=O)O[C@@H]1CC(C)=CC(=O)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000071775075 203111876 /nfs/dbraw/zinc/11/18/76/203111876.db2.gz YMWBTMBPEHUMBA-AJHAYUPBSA-N 0 0 334.456 3.587 50 30 EHEARN C=Cc1cccc(-c2cc(-c3nc(N)sc3C)nc(N)c2C#N)c1 ZINC000071589697 203099519 /nfs/dbraw/zinc/09/95/19/203099519.db2.gz VTAHSTOTGBRYMG-UHFFFAOYSA-N 0 0 333.420 3.860 50 30 EHEARN N#Cc1ccccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000071796371 203114555 /nfs/dbraw/zinc/11/45/55/203114555.db2.gz CYVBADPCFQZDOO-UHFFFAOYSA-N 0 0 349.371 3.663 50 30 EHEARN CC[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2O1 ZINC000075839817 203324521 /nfs/dbraw/zinc/32/45/21/203324521.db2.gz IEWJQKXTKDACHX-INIZCTEOSA-N 0 0 346.390 3.786 50 30 EHEARN N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccc(F)cc2c1 ZINC000095443299 203743867 /nfs/dbraw/zinc/74/38/67/203743867.db2.gz VRGFFXQESYRMKV-UHFFFAOYSA-N 0 0 339.292 3.682 50 30 EHEARN CCOC(=O)c1sc(NC(=O)[C@H](C)c2ccccc2)c(C#N)c1C ZINC000095470984 203747896 /nfs/dbraw/zinc/74/78/96/203747896.db2.gz PYZFJTIQTNPKOL-LLVKDONJSA-N 0 0 342.420 3.847 50 30 EHEARN O=C(C=CNc1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000100483342 203995454 /nfs/dbraw/zinc/99/54/54/203995454.db2.gz RDSREUCDDPLFPK-FPLPWBNLSA-N 0 0 346.180 3.986 50 30 EHEARN CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)CCCC1=O ZINC000100140111 203990385 /nfs/dbraw/zinc/99/03/85/203990385.db2.gz KWFWWRDSMKSVOI-UHFFFAOYSA-N 0 0 338.451 3.903 50 30 EHEARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1ccccc1C#N ZINC000007005605 205830018 /nfs/dbraw/zinc/83/00/18/205830018.db2.gz UOBZVXXIINJEMH-UHFFFAOYSA-N 0 0 328.393 3.552 50 30 EHEARN C=CCn1c(SCc2cc(-c3ccco3)on2)nnc1C1CC1 ZINC000014110648 211684128 /nfs/dbraw/zinc/68/41/28/211684128.db2.gz VXUPDRNOCFIAJY-UHFFFAOYSA-N 0 0 328.397 3.882 50 30 EHEARN C=C(C)COc1ccc(NC(=O)c2ccc(OCCOC)cc2)cc1 ZINC000009813782 211123596 /nfs/dbraw/zinc/12/35/96/211123596.db2.gz SOEAAQKOUXUPOZ-UHFFFAOYSA-N 0 0 341.407 3.919 50 30 EHEARN C[C@@H](C#N)CNC(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000095410848 218347233 /nfs/dbraw/zinc/34/72/33/218347233.db2.gz VIVGWXAKMMRFKE-LURJTMIESA-N 0 0 338.141 3.876 50 30 EHEARN CCc1nnc(Sc2nnc(-c3ccccc3)o2)c(C#N)c1CC ZINC000095411898 218349245 /nfs/dbraw/zinc/34/92/45/218349245.db2.gz UGDLEZADEKKMCF-UHFFFAOYSA-N 0 0 337.408 3.674 50 30 EHEARN N#Cc1ccc(NC(=O)c2cccnc2SCC(F)(F)F)cc1 ZINC000012895365 207259421 /nfs/dbraw/zinc/25/94/21/207259421.db2.gz CMFCLPCMUBKWTC-UHFFFAOYSA-N 0 0 337.326 3.860 50 30 EHEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(Br)c1 ZINC000013011502 207274892 /nfs/dbraw/zinc/27/48/92/207274892.db2.gz CEIFDKOGMTZZPN-LLVKDONJSA-N 0 0 345.196 3.727 50 30 EHEARN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(C#N)cs1 ZINC000177061056 207290205 /nfs/dbraw/zinc/29/02/05/207290205.db2.gz NTDPYUYGHSZQBG-XHDPSFHLSA-N 0 0 346.839 3.875 50 30 EHEARN C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O ZINC000004943155 210333768 /nfs/dbraw/zinc/33/37/68/210333768.db2.gz CMGJYRSVFRAOEU-INIZCTEOSA-N 0 0 349.409 3.726 50 30 EHEARN C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](C)CC2)cc1OC ZINC000096134115 257837114 /nfs/dbraw/zinc/83/71/14/257837114.db2.gz XBTBUPDGOBTREY-SIJIIQCFSA-N 0 0 329.440 3.922 50 30 EHEARN Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CCC(C#N)CC1 ZINC000426415426 257969263 /nfs/dbraw/zinc/96/92/63/257969263.db2.gz OKUQAFMJHWUOBU-UHFFFAOYSA-N 0 0 326.227 3.747 50 30 EHEARN C=CCn1c(C)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000006726226 258044418 /nfs/dbraw/zinc/04/44/18/258044418.db2.gz DDXJEULAKMAVJT-UHFFFAOYSA-N 0 0 338.436 3.657 50 30 EHEARN Cc1cc(C)cc([C@H](O)CNC(=O)c2ccoc2Br)c1 ZINC000330032490 258002281 /nfs/dbraw/zinc/00/22/81/258002281.db2.gz OBROYSUIXRFOTH-CYBMUJFWSA-N 0 0 338.201 3.697 50 30 EHEARN C=C(C)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 ZINC000002369334 258017125 /nfs/dbraw/zinc/01/71/25/258017125.db2.gz YVWRTVPDXOUSOL-UHFFFAOYSA-N 0 0 341.477 3.975 50 30 EHEARN Cc1nc(COc2ccccc2Cl)sc1C(=O)/C=C/N(C)C ZINC000000121290 258047321 /nfs/dbraw/zinc/04/73/21/258047321.db2.gz QGPZCOWTJRHETA-CMDGGOBGSA-N 0 0 336.844 3.942 50 30 EHEARN COCCN(Cc1ccccc1C)C(=O)Nc1ccc(C)c(C#N)c1 ZINC000299792511 258097787 /nfs/dbraw/zinc/09/77/87/258097787.db2.gz DZTSJJVSYIAISW-UHFFFAOYSA-N 0 0 337.423 3.856 50 30 EHEARN N#CCCCCCC(=O)c1cccc(I)c1 ZINC000002392831 258049536 /nfs/dbraw/zinc/04/95/36/258049536.db2.gz SMYZZJPQTJZEGC-UHFFFAOYSA-N 0 0 327.165 3.948 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000069656884 258063820 /nfs/dbraw/zinc/06/38/20/258063820.db2.gz QQNCHVLWHUXHAY-DLBZAZTESA-N 0 0 339.826 3.781 50 30 EHEARN FC(F)(F)c1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1 ZINC000000232123 135647449 /nfs/dbraw/zinc/64/74/49/135647449.db2.gz PZZWGJVXCZRKFR-HYARGMPZSA-N 0 0 333.357 3.862 50 30 EHEARN C#CCN(Cc1ccccc1)C(=O)Cc1ccc(NC(=O)CCC)cc1 ZINC000055153159 518260399 /nfs/dbraw/zinc/26/03/99/518260399.db2.gz WSBMIWFJUXPJPZ-UHFFFAOYSA-N 0 0 348.446 3.630 50 30 EHEARN C/C(=N\N[C@H](C)Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000043761335 518463268 /nfs/dbraw/zinc/46/32/68/518463268.db2.gz VRQCIYPOZFTNFW-ZXOFLVKFSA-N 0 0 339.395 3.822 50 30 EHEARN C=C(C)CNC(=S)NCc1ccccc1COCc1ccccc1 ZINC000036847808 518609208 /nfs/dbraw/zinc/60/92/08/518609208.db2.gz AQFGFLLFQOIHAF-UHFFFAOYSA-N 0 0 340.492 3.944 50 30 EHEARN C=CCN(C[C@@H]1CC(c2ccc(F)cc2)=NO1)C(=O)CC(C)(C)C ZINC000006874511 518774796 /nfs/dbraw/zinc/77/47/96/518774796.db2.gz SVJIPPKRRNYIRE-INIZCTEOSA-N 0 0 332.419 3.770 50 30 EHEARN C=CCN(Cc1ccc(Cl)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023718940 518781939 /nfs/dbraw/zinc/78/19/39/518781939.db2.gz NOGJLMAQBJEYIX-UHFFFAOYSA-N 0 0 345.855 3.826 50 30 EHEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccccc1 ZINC000005429211 518799576 /nfs/dbraw/zinc/79/95/76/518799576.db2.gz BFLSVUYOYAKVEF-UHFFFAOYSA-N 0 0 333.391 3.873 50 30 EHEARN C=CCOC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104115 518989717 /nfs/dbraw/zinc/98/97/17/518989717.db2.gz HGVWLFAXUOVROQ-IBGZPJMESA-N 0 0 347.405 3.531 50 30 EHEARN C=CCn1c(Sc2ncccc2C#N)nnc1-c1ccccc1OC ZINC000012522654 519259239 /nfs/dbraw/zinc/25/92/39/519259239.db2.gz JIYGKEVEEMMRSP-UHFFFAOYSA-N 0 0 349.419 3.558 50 30 EHEARN CC(C)c1nnc(CNC(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000328594335 519885009 /nfs/dbraw/zinc/88/50/09/519885009.db2.gz CSSZQMSDSVTMEN-LLVKDONJSA-N 0 0 336.486 3.974 50 30 EHEARN COc1cc(C(=O)C=CNc2cc(C)ccc2O)cc(OC)c1OC ZINC000000208451 522048831 /nfs/dbraw/zinc/04/88/31/522048831.db2.gz FCAZXTRPOWTVOE-BQYQJAHWSA-N 0 0 343.379 3.535 50 30 EHEARN COc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2)cc1 ZINC000252429387 523257922 /nfs/dbraw/zinc/25/79/22/523257922.db2.gz JQFPLWBNBKWJKW-VNELNHGRSA-N 0 0 336.420 3.790 50 30 EHEARN CO[C@]1(C)CCCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1 ZINC000328587709 524029159 /nfs/dbraw/zinc/02/91/59/524029159.db2.gz FPLAUNCEQYIWEG-UKRRQHHQSA-N 0 0 336.398 3.913 50 30 EHEARN Cc1cc(N=NCc2ccc([N+](=O)[O-])cc2)nc(SC(C)C)n1 ZINC000005362407 525042807 /nfs/dbraw/zinc/04/28/07/525042807.db2.gz ADDKDMCBFAYPBV-CXUHLZMHSA-N 0 0 331.401 3.640 50 30 EHEARN Cc1cc(-c2ccccc2)nc(N=NCc2ccc(N(C)C)cc2)n1 ZINC000004116035 526043738 /nfs/dbraw/zinc/04/37/38/526043738.db2.gz XHOPDVOOLPCDRX-KGENOOAVSA-N 0 0 331.423 3.964 50 30 EHEARN N#CCSc1ccccc1NC(=O)CNc1cc(F)ccc1F ZINC000011622128 526477151 /nfs/dbraw/zinc/47/71/51/526477151.db2.gz DEDXTFSIMADGAC-UHFFFAOYSA-N 0 0 333.363 3.631 50 30 EHEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(O)c3)n2)c1 ZINC000031776213 527382925 /nfs/dbraw/zinc/38/29/25/527382925.db2.gz CVGPNVWUBSDWKD-MFOYZWKCSA-N 0 0 340.364 3.870 50 30 EHEARN FC(F)(F)C(F)(F)C(F)(F)c1ncc(Br)cn1 ZINC000306145454 564076550 /nfs/dbraw/zinc/07/65/50/564076550.db2.gz FSKYWMZAJDWQKM-UHFFFAOYSA-N 0 0 326.997 3.529 50 30 EHEARN N#Cc1ccc(/C=N/c2ccc(I)cc2)cc1 ZINC000000065168 563214415 /nfs/dbraw/zinc/21/44/15/563214415.db2.gz IVKHXRHCNKRNLB-LICLKQGHSA-N 0 0 332.144 3.913 50 30 EHEARN Oc1ccc2ccccc2c1/C=N/N1CCN(c2ccccc2)CC1 ZINC000000136540 563240553 /nfs/dbraw/zinc/24/05/53/563240553.db2.gz GPKINHUCLKYOFX-CJLVFECKSA-N 0 0 331.419 3.702 50 30 EHEARN CCOc1ccc(C(=O)[C@H](C)Sc2nc3c([nH]2)C(=O)C=C3C)cc1 ZINC000000407733 563307261 /nfs/dbraw/zinc/30/72/61/563307261.db2.gz NPRSUWNDOVOVBW-NSHDSACASA-N 0 0 342.420 3.772 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@]1(c2ccc(F)cc2)CCO[C@@](C)(CC)C1 ZINC000000447334 563317756 /nfs/dbraw/zinc/31/77/56/563317756.db2.gz ORZBLSWNBVOAST-YTQUADARSA-N 0 0 333.403 3.745 50 30 EHEARN O=[N+]([O-])c1cc(/C=N/NC(=S)Nc2ccccc2)ccc1Cl ZINC000000525257 563341094 /nfs/dbraw/zinc/34/10/94/563341094.db2.gz SHICMNOCHGPLRN-CXUHLZMHSA-N 0 0 334.788 3.569 50 30 EHEARN O=C(C=CNc1ccc(I)cc1)c1ccco1 ZINC000000616198 563358468 /nfs/dbraw/zinc/35/84/68/563358468.db2.gz OAFRKIJTHWXVLT-BQYQJAHWSA-N 0 0 339.132 3.693 50 30 EHEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000002057139 563420108 /nfs/dbraw/zinc/42/01/08/563420108.db2.gz ZYKGNZXVAPOIDK-IBGZPJMESA-N 0 0 339.435 3.998 50 30 EHEARN CCN(CC)C(=O)c1sc(NC(=O)C2CCCCC2)c(C#N)c1C ZINC000002748606 563448423 /nfs/dbraw/zinc/44/84/23/563448423.db2.gz BZZASIZHVAOPRU-UHFFFAOYSA-N 0 0 347.484 3.929 50 30 EHEARN CCSc1nc2n(n1)[C@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000004436187 563502829 /nfs/dbraw/zinc/50/28/29/563502829.db2.gz XKIPGYMJSGZRSG-OAHLLOKOSA-N 0 0 344.415 3.551 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)c(OC)c1 ZINC000004671309 563507788 /nfs/dbraw/zinc/50/77/88/563507788.db2.gz STLPWZWBNCXLLG-CSKARUKUSA-N 0 0 336.343 3.706 50 30 EHEARN COc1cc(OC)cc(C(=O)/C=C2\Sc3ccccc3N2C)c1 ZINC000004998748 563518220 /nfs/dbraw/zinc/51/82/20/563518220.db2.gz QGGPARRCWCPFAU-WQRHYEAKSA-N 0 0 327.405 3.970 50 30 EHEARN Cc1ccc(N2C(=O)CS/C2=N\C(=O)Nc2ccccc2)c(C)c1 ZINC000005193570 563522433 /nfs/dbraw/zinc/52/24/33/563522433.db2.gz DPWVXDRTRIATMZ-ZZEZOPTASA-N 0 0 339.420 3.971 50 30 EHEARN C[C@@H]1CCCC[C@@H]1/N=C1\NN=C(c2cccc([N+](=O)[O-])c2)CS1 ZINC000012994607 563683110 /nfs/dbraw/zinc/68/31/10/563683110.db2.gz VDGLGMDTHFIVFF-RISCZKNCSA-N 0 0 332.429 3.570 50 30 EHEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c(OC)c1 ZINC000013727498 563719114 /nfs/dbraw/zinc/71/91/14/563719114.db2.gz LWPGYMIAVQFYDC-KRWDZBQOSA-N 0 0 340.379 3.565 50 30 EHEARN NC(=O)c1ccc(CON=C2c3ccccc3-c3ccccc32)cc1 ZINC000014328607 563758119 /nfs/dbraw/zinc/75/81/19/563758119.db2.gz OKDPCMYWGJLQTR-UHFFFAOYSA-N 0 0 328.371 3.735 50 30 EHEARN CSc1nc2ccccc2c(=O)n1/N=C/c1ccc(Cl)cc1 ZINC000016248842 563806774 /nfs/dbraw/zinc/80/67/74/563806774.db2.gz OHCQFADJTMSUSH-VCHYOVAHSA-N 0 0 329.812 3.654 50 30 EHEARN CCOC(=O)[C@@](C#N)(C/C=C/CCOC)[C@@](C)(C#N)c1ccccc1 ZINC000044125015 563926176 /nfs/dbraw/zinc/92/61/76/563926176.db2.gz HDVWKTGMFLOJQL-IECUYZFFSA-N 0 0 340.423 3.524 50 30 EHEARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCC#Cc1ccccc1 ZINC000046327849 563932007 /nfs/dbraw/zinc/93/20/07/563932007.db2.gz IAQBJGOWXCYGRS-UHFFFAOYSA-N 0 0 334.350 3.571 50 30 EHEARN CCn1cc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)cn1 ZINC000058356738 563943461 /nfs/dbraw/zinc/94/34/61/563943461.db2.gz HHCXKDCNBYXJHE-VMPITWQZSA-N 0 0 339.420 3.835 50 30 EHEARN Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)C=Cc1ccc(F)cc1 ZINC000058367861 563944026 /nfs/dbraw/zinc/94/40/26/563944026.db2.gz FHEZQIKKLKEPII-XLNAKTSKSA-N 0 0 346.365 3.511 50 30 EHEARN N#CCN(Cc1ccccc1)C(=O)COc1ccccc1C(F)(F)F ZINC000059422344 563948928 /nfs/dbraw/zinc/94/89/28/563948928.db2.gz FCRMNMYKQBLCDS-UHFFFAOYSA-N 0 0 348.324 3.637 50 30 EHEARN Cc1nnc(-c2cccc(C(=O)OC[C@H](C#N)Cc3ccccc3)c2)o1 ZINC000096473993 563954758 /nfs/dbraw/zinc/95/47/58/563954758.db2.gz VZGHZOUAUGFIFY-INIZCTEOSA-N 0 0 347.374 3.584 50 30 EHEARN O=C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000100116017 563982362 /nfs/dbraw/zinc/98/23/62/563982362.db2.gz FXSOHPXIFIETIO-UHFFFAOYSA-N 0 0 332.040 3.518 50 30 EHEARN COc1cccc(/C=N/c2cccc(NC(=O)c3ccco3)c2)c1O ZINC000100507088 563982657 /nfs/dbraw/zinc/98/26/57/563982657.db2.gz ULYBSHDYYLMSRJ-UDWIEESQSA-N 0 0 336.347 3.997 50 30 EHEARN CCc1noc(C)c1NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119671599 563983395 /nfs/dbraw/zinc/98/33/95/563983395.db2.gz ZHFCUXSNXIHEBQ-UHFFFAOYSA-N 0 0 328.372 3.848 50 30 EHEARN CC(C)n1cc(C#N)c(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)n1 ZINC000119979088 563983913 /nfs/dbraw/zinc/98/39/13/563983913.db2.gz ADFUFWTZEJUADG-HIFRSBDPSA-N 0 0 341.415 3.934 50 30 EHEARN CCSC(=O)[C@@H]1CNC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000004844322 563988686 /nfs/dbraw/zinc/98/86/86/563988686.db2.gz QKRQYDBGGPRLNH-IAGOWNOFSA-N 0 0 349.455 3.877 50 30 EHEARN Cc1ccc(NC(=O)C=NOC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000241770 563989180 /nfs/dbraw/zinc/98/91/80/563989180.db2.gz WIWRVZPLIRCOQT-VCHYOVAHSA-N 0 0 331.759 3.821 50 30 EHEARN CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O ZINC000004888454 563992250 /nfs/dbraw/zinc/99/22/50/563992250.db2.gz JGCAYIXBIPNGOY-MHCYFFLUSA-N 0 0 337.448 3.931 50 30 EHEARN CC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2C)C1=O ZINC000004901881 563992347 /nfs/dbraw/zinc/99/23/47/563992347.db2.gz ZONLYPIJWOAPRU-QPNCIOBRSA-N 0 0 341.436 3.832 50 30 EHEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000408513713 563992773 /nfs/dbraw/zinc/99/27/73/563992773.db2.gz RSLOYLFFEFHEHG-IAGOWNOFSA-N 0 0 345.402 3.567 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000408513673 563992779 /nfs/dbraw/zinc/99/27/79/563992779.db2.gz MJAIYGOCCYLIMS-SFTDATJTSA-N 0 0 341.414 3.748 50 30 EHEARN COc1ccc2occ(C(=O)[C@@H](C#N)C(=O)Nc3cccc(C)c3)c2c1 ZINC000408515775 563993035 /nfs/dbraw/zinc/99/30/35/563993035.db2.gz DKPRFMDSMCOEQU-MRXNPFEDSA-N 0 0 348.358 3.711 50 30 EHEARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)cc1 ZINC000005150497 563994660 /nfs/dbraw/zinc/99/46/60/563994660.db2.gz HNRZDNFXDSDREU-NJYVYQBISA-N 0 0 341.499 3.724 50 30 EHEARN N#CCCN(C(=O)Nc1cccc(N2CCCCCC2)c1)C1CC1 ZINC000076081651 564000603 /nfs/dbraw/zinc/00/06/03/564000603.db2.gz ZZUVWRSZWPQSSP-UHFFFAOYSA-N 0 0 326.444 3.977 50 30 EHEARN C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1ccc(Br)cc1 ZINC000062580086 564006453 /nfs/dbraw/zinc/00/64/53/564006453.db2.gz YDOYXSYEMPERDY-DOMZBBRYSA-N 0 0 340.261 3.998 50 30 EHEARN C=CCn1c(SC)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 ZINC000000496029 564017984 /nfs/dbraw/zinc/01/79/84/564017984.db2.gz MXMZMYQXBZEXMK-INIZCTEOSA-N 0 0 336.482 3.607 50 30 EHEARN CCc1ccc(C2=Nc3ncnn3/C2=N/Cc2ccc(C)cc2)cc1 ZINC000102651090 564020418 /nfs/dbraw/zinc/02/04/18/564020418.db2.gz KWZKVBZIBZKVJB-XUTLUUPISA-N 0 0 329.407 3.730 50 30 EHEARN CCOc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)c(OCC)c1 ZINC000000544507 564022639 /nfs/dbraw/zinc/02/26/39/564022639.db2.gz POERMNVSDTYBCX-UHFFFAOYSA-N 0 0 340.408 3.534 50 30 EHEARN C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000103590629 564022842 /nfs/dbraw/zinc/02/28/42/564022842.db2.gz XUKHTWTYXCXHAE-SWLSCSKDSA-N 0 0 342.345 3.806 50 30 EHEARN CCOc1ccc(C(=O)C=CNc2ccc(OC)cc2OC)cc1 ZINC000051318784 564024500 /nfs/dbraw/zinc/02/45/00/564024500.db2.gz IJGRZULZJPAUBY-VAWYXSNFSA-N 0 0 327.380 3.911 50 30 EHEARN C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000107561653 564027012 /nfs/dbraw/zinc/02/70/12/564027012.db2.gz HCWCJKVCDIZVRX-QWHCGFSZSA-N 0 0 331.485 3.557 50 30 EHEARN C#CC[C@H](OC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccn1 ZINC000113663153 564032876 /nfs/dbraw/zinc/03/28/76/564032876.db2.gz XYTMKOLECSJYMF-IBGZPJMESA-N 0 0 349.365 3.636 50 30 EHEARN O=C(C1=C(O)C(=O)N[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005819008 564056095 /nfs/dbraw/zinc/05/60/95/564056095.db2.gz FQJFCHMOYCLXOF-AWEZNQCLSA-N 0 0 348.185 3.859 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C)nc(C(C)C)n1 ZINC000063440463 564057490 /nfs/dbraw/zinc/05/74/90/564057490.db2.gz BASLHPAHICNTDS-UHFFFAOYSA-N 0 0 349.394 3.725 50 30 EHEARN C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000183762864 564057857 /nfs/dbraw/zinc/05/78/57/564057857.db2.gz ZZWMKDAMRMGZFH-GFCCVEGCSA-N 0 0 347.415 3.562 50 30 EHEARN COc1cccc(-n2cnnc2SCc2ccc(C#N)cc2F)c1 ZINC000012543174 564058748 /nfs/dbraw/zinc/05/87/48/564058748.db2.gz SHVMDRKDATUHQM-UHFFFAOYSA-N 0 0 340.383 3.579 50 30 EHEARN COc1ccc(CN=Nc2nc(C)cs2)cc1Br ZINC000004042693 564061659 /nfs/dbraw/zinc/06/16/59/564061659.db2.gz SXWWTHZDPHWFLX-MKMNVTDBSA-N 0 0 326.219 3.669 50 30 EHEARN C=CCN(CC=C)C(=O)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000072268264 564063812 /nfs/dbraw/zinc/06/38/12/564063812.db2.gz GBTDDMJHBNDASO-SFHVURJKSA-N 0 0 325.387 3.694 50 30 EHEARN C#CC(C)(C)NC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001381804 564064009 /nfs/dbraw/zinc/06/40/09/564064009.db2.gz ABUDESSBXDOPSG-UHFFFAOYSA-N 0 0 341.414 3.952 50 30 EHEARN C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000058265012 564065226 /nfs/dbraw/zinc/06/52/26/564065226.db2.gz CXMWNBZXSUOVHY-UONOGXRCSA-N 0 0 344.484 3.699 50 30 EHEARN COc1ccc(CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000012757471 564067266 /nfs/dbraw/zinc/06/72/66/564067266.db2.gz YVIYZKODBYCENA-UHFFFAOYSA-N 0 0 344.798 3.800 50 30 EHEARN N#C[C@H](NC(=O)CCSc1ccccn1)c1cccc(Cl)c1 ZINC000087273636 564068571 /nfs/dbraw/zinc/06/85/71/564068571.db2.gz OMPBCZWCUZQGHK-AWEZNQCLSA-N 0 0 331.828 3.598 50 30 EHEARN C[C@H](C#N)CNC(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000084638432 564069291 /nfs/dbraw/zinc/06/92/91/564069291.db2.gz PDJQEMMZXBVPSR-MRXNPFEDSA-N 0 0 337.423 3.727 50 30 EHEARN C=CCNC(=O)CN1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000084638131 564069294 /nfs/dbraw/zinc/06/92/94/564069294.db2.gz SJWCMUIVADIACW-UHFFFAOYSA-N 0 0 339.266 3.775 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)c1ccc(Br)s1 ZINC000040214980 564072710 /nfs/dbraw/zinc/07/27/10/564072710.db2.gz NBGXPZVNNXUJRR-UHFFFAOYSA-N 0 0 339.214 3.660 50 30 EHEARN C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000000267469 564074540 /nfs/dbraw/zinc/07/45/40/564074540.db2.gz SOGBHLUPPPBOMR-UHFFFAOYSA-N 0 0 338.498 3.666 50 30 EHEARN COc1ccc(/C=C/C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000005210926 564076019 /nfs/dbraw/zinc/07/60/19/564076019.db2.gz DVOPMHREHMBXGC-QPJJXVBHSA-N 0 0 343.335 3.517 50 30 EHEARN Cn1cc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)c2ccc(F)cc21 ZINC000102610059 564084609 /nfs/dbraw/zinc/08/46/09/564084609.db2.gz IDVFKCGYVDKVHY-UHFFFAOYSA-N 0 0 347.397 3.531 50 30 EHEARN Cc1cc(C(=O)OCc2ccccc2C#N)c(C)n1CC(F)(F)F ZINC000016406381 564084783 /nfs/dbraw/zinc/08/47/83/564084783.db2.gz ARFDFZIPNNPTGT-UHFFFAOYSA-N 0 0 336.313 3.896 50 30 EHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nncs1 ZINC000103058909 564086595 /nfs/dbraw/zinc/08/65/95/564086595.db2.gz VGYWTEYNICTPGZ-RIYZIHGNSA-N 0 0 331.466 3.511 50 30 EHEARN COc1ccc(C2N=NC(=S)N2N=CC(C)=Cc2ccco2)cc1 ZINC000245253776 564088656 /nfs/dbraw/zinc/08/86/56/564088656.db2.gz PGXUZOOVLIUXMA-ULPVHAHSSA-N 0 0 340.408 3.773 50 30 EHEARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1cccc(C#N)c1 ZINC000006589112 564092321 /nfs/dbraw/zinc/09/23/21/564092321.db2.gz VQUVCVKDQGKNJZ-GFCCVEGCSA-N 0 0 336.420 3.564 50 30 EHEARN N#Cc1ccccc1COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000006942152 564101956 /nfs/dbraw/zinc/10/19/56/564101956.db2.gz OXFZJQKZLJVQIV-UHFFFAOYSA-N 0 0 327.767 3.918 50 30 EHEARN Cc1cc(NCc2ccccc2CO)n2c3ccccc3nc2c1C#N ZINC000169968956 564103944 /nfs/dbraw/zinc/10/39/44/564103944.db2.gz AJJCOXSUVXAHHF-UHFFFAOYSA-N 0 0 342.402 3.772 50 30 EHEARN COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000007091894 564104887 /nfs/dbraw/zinc/10/48/87/564104887.db2.gz ZCMHRGOZQCXNJS-LBPRGKRZSA-N 0 0 343.814 3.968 50 30 EHEARN C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000065593239 564108043 /nfs/dbraw/zinc/10/80/43/564108043.db2.gz HTSRCGODBSASAT-ZDUSSCGKSA-N 0 0 342.830 3.616 50 30 EHEARN O=C(Nc1ccccc1OCF)C(F)(F)C(F)(F)C(F)(F)F ZINC000003017502 564117144 /nfs/dbraw/zinc/11/71/44/564117144.db2.gz YNHSSXHZARVRNH-UHFFFAOYSA-N 0 0 337.166 3.764 50 30 EHEARN CCCCC1N=NC(=S)N1N=Cc1ccc(N(CC)CC)cc1 ZINC000252476738 564119007 /nfs/dbraw/zinc/11/90/07/564119007.db2.gz ANASJYNMEZNZEG-UHFFFAOYSA-N 0 0 331.489 3.638 50 30 EHEARN C=CCNC(=O)[C@H](C)OC(=O)/C=C/c1sc2ccccc2c1Cl ZINC000007841686 564124177 /nfs/dbraw/zinc/12/41/77/564124177.db2.gz KWENKLSIHFRYNK-FBOQAHMBSA-N 0 0 349.839 3.802 50 30 EHEARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2=NO ZINC000252634005 564124489 /nfs/dbraw/zinc/12/44/89/564124489.db2.gz WJHPNHKVALGIJB-UHFFFAOYSA-N 0 0 338.429 3.568 50 30 EHEARN CS[C@@H]1CCCC[C@]1(O)CSc1nc2c(cc1C#N)CCCC2 ZINC000000034230 564132723 /nfs/dbraw/zinc/13/27/23/564132723.db2.gz SNDMFDJNRHSDPA-AEFFLSMTSA-N 0 0 348.537 3.961 50 30 EHEARN COc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1Cl ZINC000000090123 564132819 /nfs/dbraw/zinc/13/28/19/564132819.db2.gz MALOFFQBYUYMAY-UHFFFAOYSA-N 0 0 349.781 3.690 50 30 EHEARN CCOC(=O)CSc1nc2c(c([C@H]3CC=CCC3)c1C#N)CCC2 ZINC000000128867 564132891 /nfs/dbraw/zinc/13/28/91/564132891.db2.gz QDQHNCRJHYQKCD-ZDUSSCGKSA-N 0 0 342.464 3.921 50 30 EHEARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000007003147 564133813 /nfs/dbraw/zinc/13/38/13/564133813.db2.gz MPHJBTVWNLJOAE-INIZCTEOSA-N 0 0 348.450 3.988 50 30 EHEARN Cc1nn(-c2ccccc2C)c2c1[C@H](c1cccc(C#N)c1)CC(=O)N2 ZINC000065366276 564134322 /nfs/dbraw/zinc/13/43/22/564134322.db2.gz LOLIWXMPEYWPPX-KRWDZBQOSA-N 0 0 342.402 3.835 50 30 EHEARN N#Cc1cccc(N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)n1 ZINC000067934646 564134949 /nfs/dbraw/zinc/13/49/49/564134949.db2.gz QXSOXLOEVHRGHR-KRWDZBQOSA-N 0 0 343.434 3.651 50 30 EHEARN CO[C@H](C)CCNC(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 ZINC000426424439 564135046 /nfs/dbraw/zinc/13/50/46/564135046.db2.gz ZONDFWUIDZXCSS-CYBMUJFWSA-N 0 0 326.371 3.519 50 30 EHEARN COCC[C@H]1CCCCN1C(=O)c1cccc(-c2ncccc2C#N)c1 ZINC000426424412 564135060 /nfs/dbraw/zinc/13/50/60/564135060.db2.gz WJAAMQWCTSRSFN-LJQANCHMSA-N 0 0 349.434 3.651 50 30 EHEARN Cc1cc(C)c(S(=O)(=O)/N=C2/C=CC(=O)c3ccccc32)c(C)c1 ZINC000095351653 564139290 /nfs/dbraw/zinc/13/92/90/564139290.db2.gz UPFQFDIDONUUJZ-JZJYNLBNSA-N 0 0 339.416 3.542 50 30 EHEARN N#Cc1cc(COC(=O)c2nc(-c3ccccc3)oc2C2CC2)ccn1 ZINC000095409826 564139613 /nfs/dbraw/zinc/13/96/13/564139613.db2.gz UBUZOVMZSGSIDC-UHFFFAOYSA-N 0 0 345.358 3.843 50 30 EHEARN CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000080455303 564140302 /nfs/dbraw/zinc/14/03/02/564140302.db2.gz UASUIWMRPRVVOR-CYBMUJFWSA-N 0 0 339.420 3.641 50 30 EHEARN C[C@]1(C(=O)Nc2ccc(C#N)cc2)CC(c2ccccc2Cl)=NO1 ZINC000096192865 564145958 /nfs/dbraw/zinc/14/59/58/564145958.db2.gz OXZPLMFCFNAPLI-GOSISDBHSA-N 0 0 339.782 3.733 50 30 EHEARN COCCOc1ccc(C#N)cc1NC(=O)c1coc2ccccc12 ZINC000097106970 564149403 /nfs/dbraw/zinc/14/94/03/564149403.db2.gz AKEBRDUUQXTCEA-UHFFFAOYSA-N 0 0 336.347 3.582 50 30 EHEARN N#Cc1c(NC(=O)COc2ccc(F)cc2)sc2c1CCCC2 ZINC000002638324 564151631 /nfs/dbraw/zinc/15/16/31/564151631.db2.gz RYAUPNMDWNNHQA-UHFFFAOYSA-N 0 0 330.384 3.655 50 30 EHEARN CO/N=C/C1=C(c2ccc(F)cc2)CC(=O)N1c1ccc(OC)cc1 ZINC000003133220 564155386 /nfs/dbraw/zinc/15/53/86/564155386.db2.gz FXWGAAVJRSDRQX-CIAFOILYSA-N 0 0 340.354 3.615 50 30 EHEARN C[C@H](Sc1ncc(C#N)c(N)n1)c1ccc(OC(F)(F)F)cc1 ZINC000058180460 564157966 /nfs/dbraw/zinc/15/79/66/564157966.db2.gz VONVKBNDBFCHFQ-QMMMGPOBSA-N 0 0 340.330 3.682 50 30 EHEARN COc1ccc(/C=C2/CN(C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000031860727 564160061 /nfs/dbraw/zinc/16/00/61/564160061.db2.gz OKMDTMGJNJKWAE-BKHHGCLFSA-N 0 0 349.430 3.685 50 30 EHEARN N#Cc1c2c(sc1NC(=O)c1ccc3ncsc3c1)CCC2 ZINC000004088485 564160459 /nfs/dbraw/zinc/16/04/59/564160459.db2.gz VXLJIPBCFPPRTF-UHFFFAOYSA-N 0 0 325.418 3.970 50 30 EHEARN CCn1c2ccccc2nc1SCC(=O)Nc1sccc1C#N ZINC000007985148 564161816 /nfs/dbraw/zinc/16/18/16/564161816.db2.gz DSXHYGLGYXSZTH-UHFFFAOYSA-N 0 0 342.449 3.720 50 30 EHEARN CC(=NNC(=S)Nc1cccc(C)c1C)c1ccc2c(c1)OCO2 ZINC000245263501 564168855 /nfs/dbraw/zinc/16/88/55/564168855.db2.gz AIVYGEMLOPKVPM-UHFFFAOYSA-N 0 0 341.436 3.743 50 30 EHEARN C#CCN(Cc1ccco1)C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000069433948 564169415 /nfs/dbraw/zinc/16/94/15/564169415.db2.gz VAYSEJHDBBFIPF-UHFFFAOYSA-N 0 0 340.404 3.509 50 30 EHEARN CO[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069814634 564172356 /nfs/dbraw/zinc/17/23/56/564172356.db2.gz ZUDXXQXNLZBLNA-ZJUUUORDSA-N 0 0 336.363 3.690 50 30 EHEARN Cc1noc(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000009578454 564174180 /nfs/dbraw/zinc/17/41/80/564174180.db2.gz IEAIBJJMUDUUPD-VIFPVBQESA-N 0 0 329.425 3.531 50 30 EHEARN C[C@@H](Sc1cc(C#N)ccn1)C(=O)Nc1cc(Cl)ccc1F ZINC000077908381 564176892 /nfs/dbraw/zinc/17/68/92/564176892.db2.gz YUIMBCNAOGMOBJ-SECBINFHSA-N 0 0 335.791 3.865 50 30 EHEARN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000014093415 568416211 /nfs/dbraw/zinc/41/62/11/568416211.db2.gz PSXMFJVVTBEVSE-GOSISDBHSA-N 0 0 339.826 3.987 50 30 EHEARN CCOC(=O)C1=C(c2ccc(CC)cc2)C(=O)c2ccccc2C1=O ZINC000000210456 1014153201 /nfs/dbraw/zinc/15/32/01/1014153201.db2.gz DNLYKPIYFKYOEZ-UHFFFAOYSA-N 0 0 334.371 3.645 50 30 EHEARN [O-]C(=[NH+][C@H]1C[C@H](c2cccc(F)c2)C1)N1CCc2ccc(O)cc2C1 ZINC000328611695 1018001387 /nfs/dbraw/zinc/00/13/87/1018001387.db2.gz ORXHVDSXSFJLHR-RZDIXWSQSA-N 0 0 340.398 3.750 50 30 EHEARN CC(=NO)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257355425 1019067241 /nfs/dbraw/zinc/06/72/41/1019067241.db2.gz APPUXDKAIYXQHD-WZGFBNHNSA-N 0 0 347.499 3.891 50 30 EHEARN C=CCNC(=O)/C(=C\c1ccc(C(C)C)cc1)NC(=O)c1ccccc1 ZINC000083259982 1030894211 /nfs/dbraw/zinc/89/42/11/1030894211.db2.gz HLQCIKCYSKFBLF-HMMYKYKNSA-N 0 0 348.446 3.883 50 30 EHEARN CCc1noc(C)c1C(=O)N1CCSC1=Nc1ccccc1C ZINC000254834511 1035534565 /nfs/dbraw/zinc/53/45/65/1035534565.db2.gz BCLMIGWKIWMBLF-UHFFFAOYSA-N 0 0 329.425 3.731 50 30 EHEARN O=C(/C=C\c1cccc(Br)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647631 1036563931 /nfs/dbraw/zinc/56/39/31/1036563931.db2.gz AWJCNOILBQPAPG-DAXSKMNVSA-N 0 0 343.180 3.515 50 30 EHEARN O=C(/C=C\c1cccc(F)c1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000098010211 1039119637 /nfs/dbraw/zinc/11/96/37/1039119637.db2.gz FSSXSAKCJXFQLE-TWGQIWQCSA-N 0 0 343.373 3.822 50 30 EHEARN CCOc1ccc(NC(=S)NN=Cc2ccc(F)c(F)c2)cc1 ZINC000254349862 1039160123 /nfs/dbraw/zinc/16/01/23/1039160123.db2.gz ZTNNRWUYYUBATI-UHFFFAOYSA-N 0 0 335.379 3.684 50 30 EHEARN O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000096889702 1039397919 /nfs/dbraw/zinc/39/79/19/1039397919.db2.gz OEOUZYRWDHYZLF-XQRVVYSFSA-N 0 0 347.292 3.932 50 30 EHEARN CCCCc1cc(=O)oc2c(C)c(OC)c(C(=O)/C=C/N(C)C)cc12 ZINC000888088279 1042826098 /nfs/dbraw/zinc/82/60/98/1042826098.db2.gz FSAJMWLPEOTIOR-MDZDMXLPSA-N 0 0 343.423 3.711 50 30 EHEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000005101046 1042829888 /nfs/dbraw/zinc/82/98/88/1042829888.db2.gz AHLCIVODOFZUCJ-HXUWFJFHSA-N 0 0 333.391 3.608 50 30 EHEARN O=C(C(=NN=Cc1ccc(O)c(O)c1)c1ccccc1)c1ccccc1 ZINC000261155257 1043303396 /nfs/dbraw/zinc/30/33/96/1043303396.db2.gz PTPHBFWUIVDPAV-UHFFFAOYSA-N 0 0 344.370 3.804 50 30 EHEARN C[C@@H](c1cccc(C#N)c1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000186521495 1131693254 /nfs/dbraw/zinc/69/32/54/1131693254.db2.gz ISJMXBYFGASNFE-HNNXBMFYSA-N 0 0 346.434 3.599 50 30 EHEARN C#CCCC1(CCC(=O)N2CCc3cc(OC)c(Cl)cc3C2)N=N1 ZINC000952879627 1137483220 /nfs/dbraw/zinc/48/32/20/1137483220.db2.gz FYLVJFXSXVPKID-UHFFFAOYSA-N 0 0 345.830 3.589 50 30 EHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSC1=NCCS1 ZINC000102469016 1137666019 /nfs/dbraw/zinc/66/60/19/1137666019.db2.gz IJHQGEOTECXVOX-XNTDXEJSSA-N 0 0 332.494 3.703 50 30 EHEARN O=C1C(=C2CCCCCN2)C(Nc2ccccc2)=NN1c1ccccc1 ZINC000103446630 1139167774 /nfs/dbraw/zinc/16/77/74/1139167774.db2.gz SDNVREAAJLKULJ-VHEBQXMUSA-N 0 0 346.434 3.686 50 30 EHEARN CCOC(=O)N1CCC(/N=C\c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000105496934 1139353583 /nfs/dbraw/zinc/35/35/83/1139353583.db2.gz GLXGRVLUJXUTDU-NVMNQCDNSA-N 0 0 345.226 3.739 50 30 EHEARN C=C(C)CN(CC)C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000050821264 214070269 /nfs/dbraw/zinc/07/02/69/214070269.db2.gz PELGDEGFVBXRPN-UHFFFAOYSA-N 0 0 342.233 3.505 50 30 EHEARN COc1ccc(-c2cs/c(=N/N=C/c3ccc(F)cc3)n2C)cc1 ZINC000004475514 210197245 /nfs/dbraw/zinc/19/72/45/210197245.db2.gz CZNJHSFZKPQOAB-IJYYVMIVSA-N 0 0 341.411 3.836 50 30 EHEARN C=CCOc1ccc([C@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)cc1 ZINC000004387103 210186589 /nfs/dbraw/zinc/18/65/89/210186589.db2.gz YWAXWLCEOGCJCX-MRXNPFEDSA-N 0 0 347.370 3.534 50 30 EHEARN N#CCc1ccc(NC(=O)CNc2ccccc2Br)cc1 ZINC000011621426 201811126 /nfs/dbraw/zinc/81/11/26/201811126.db2.gz QKADJTXIZWMHHA-UHFFFAOYSA-N 0 0 344.212 3.566 50 30 EHEARN COc1ccc(-c2nc(COc3ccc(C#N)cc3OC)co2)cc1 ZINC000012937608 201875903 /nfs/dbraw/zinc/87/59/03/201875903.db2.gz LWKDGAIEDXFUNN-UHFFFAOYSA-N 0 0 336.347 3.809 50 30 EHEARN N#Cc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000013059353 201883176 /nfs/dbraw/zinc/88/31/76/201883176.db2.gz WSZRBUSRHSLOFY-KRWDZBQOSA-N 0 0 333.782 3.512 50 30 EHEARN Cc1ccc(-c2n[nH]c(N)c2N=Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003767642 210075594 /nfs/dbraw/zinc/07/55/94/210075594.db2.gz ARRKFTKSSLFTDL-UHFFFAOYSA-N 0 0 345.328 3.766 50 30 EHEARN Cc1cc(C)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000103504415 219309665 /nfs/dbraw/zinc/30/96/65/219309665.db2.gz HQARHOWRHXDKNT-AWEZNQCLSA-N 0 0 326.783 3.918 50 30 EHEARN CCc1ccc(-c2noc(CCC(=O)Oc3ccccc3C#N)n2)cc1 ZINC000023401746 202103063 /nfs/dbraw/zinc/10/30/63/202103063.db2.gz HQWRZRMDHICXPP-UHFFFAOYSA-N 0 0 347.374 3.709 50 30 EHEARN CCOCCCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000024735201 202120975 /nfs/dbraw/zinc/12/09/75/202120975.db2.gz IVBISPNCGLYMJG-UHFFFAOYSA-N 0 0 340.448 3.866 50 30 EHEARN COc1cc(CNc2cc(C)c(C#N)c3nc4ccccc4n32)ccn1 ZINC000025510285 202132680 /nfs/dbraw/zinc/13/26/80/202132680.db2.gz PSCDOCXPDVEAGY-UHFFFAOYSA-N 0 0 343.390 3.683 50 30 EHEARN COc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000031500420 202205974 /nfs/dbraw/zinc/20/59/74/202205974.db2.gz XKVLLUWABVOODQ-UITAMQMPSA-N 0 0 328.364 3.617 50 30 EHEARN CCc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 ZINC000032593934 202227483 /nfs/dbraw/zinc/22/74/83/202227483.db2.gz BPPJYZZFHVTLKD-UHFFFAOYSA-N 0 0 349.394 3.543 50 30 EHEARN C=CCOc1ccc(OCc2noc(-c3scnc3C)n2)cc1 ZINC000084066561 201367272 /nfs/dbraw/zinc/36/72/72/201367272.db2.gz RDZKUMGNFUGBGN-UHFFFAOYSA-N 0 0 329.381 3.645 50 30 EHEARN O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc(F)ccc1[O-] ZINC000004845478 201360704 /nfs/dbraw/zinc/36/07/04/201360704.db2.gz PIURPIWMOVRWBZ-HNQUOIGGSA-N 0 0 334.730 3.947 50 30 EHEARN Cc1nn(-c2ccccc2)c(COc2ccc(F)cc2F)c1C#N ZINC000023458215 212377762 /nfs/dbraw/zinc/37/77/62/212377762.db2.gz DNQJAGQGFDCPQY-UHFFFAOYSA-N 0 0 325.318 3.910 50 30 EHEARN N#Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000208084 201448118 /nfs/dbraw/zinc/44/81/18/201448118.db2.gz JROHCBIHZZTQHG-UHFFFAOYSA-N 0 0 327.365 3.659 50 30 EHEARN O=C1C[C@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1 ZINC000004913003 201626882 /nfs/dbraw/zinc/62/68/82/201626882.db2.gz FSTFMMWEISZJDA-QGZVFWFLSA-N 0 0 347.414 3.876 50 30 EHEARN CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\Sc2ccccc2C1=O ZINC000005128354 201640433 /nfs/dbraw/zinc/64/04/33/201640433.db2.gz DQZRYLNEBFGEKP-YBEGLDIGSA-N 0 0 326.377 3.990 50 30 EHEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000006275411 201677766 /nfs/dbraw/zinc/67/77/66/201677766.db2.gz JMWIJWFSKKSJQT-CPNJWEJPSA-N 0 0 330.453 3.605 50 30 EHEARN CO[C@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000069669614 203036478 /nfs/dbraw/zinc/03/64/78/203036478.db2.gz ULAJVJZJDOJOFA-PSASIEDQSA-N 0 0 342.342 3.916 50 30 EHEARN C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000070040630 203073116 /nfs/dbraw/zinc/07/31/16/203073116.db2.gz RFMJIBBIRUSCEE-SECBINFHSA-N 0 0 348.815 3.798 50 30 EHEARN N#CCCSc1ccccc1NC(=O)c1cccc2c1OCCO2 ZINC000071888165 203138301 /nfs/dbraw/zinc/13/83/01/203138301.db2.gz BIWMPDOPRLPMAP-UHFFFAOYSA-N 0 0 340.404 3.716 50 30 EHEARN N#Cc1ccc(Cl)cc1N1CCC(NC(=O)c2cccs2)CC1 ZINC000075142442 203306500 /nfs/dbraw/zinc/30/65/00/203306500.db2.gz NGZKLYHYKJHRQC-UHFFFAOYSA-N 0 0 345.855 3.672 50 30 EHEARN Cc1cc(Cl)ccc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000075110188 203302641 /nfs/dbraw/zinc/30/26/41/203302641.db2.gz OJQWALJFBKJNGU-UHFFFAOYSA-N 0 0 328.803 3.991 50 30 EHEARN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CC#N)c2)C12CCCCC2 ZINC000076022529 203331954 /nfs/dbraw/zinc/33/19/54/203331954.db2.gz SSWFEWMWSHXABM-RTBURBONSA-N 0 0 340.467 3.953 50 30 EHEARN COc1cc(/N=C/c2ccccc2O)ccc1NC(=O)c1ccco1 ZINC000102417369 204037699 /nfs/dbraw/zinc/03/76/99/204037699.db2.gz CDEQTBHGDYBAMJ-UDWIEESQSA-N 0 0 336.347 3.997 50 30 EHEARN C=C(C)Cn1c(C(=O)NCc2ccccn2)cc2sc(C)cc21 ZINC000037542508 204284026 /nfs/dbraw/zinc/28/40/26/204284026.db2.gz RXXOCCYXWHMTAJ-UHFFFAOYSA-N 0 0 325.437 3.912 50 30 EHEARN Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000100147357 206216727 /nfs/dbraw/zinc/21/67/27/206216727.db2.gz RIFJFTXPOBWHBN-MMRUQNSDSA-N 0 0 336.355 3.544 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@H](c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1 ZINC000100698716 206253961 /nfs/dbraw/zinc/25/39/61/206253961.db2.gz ZKJYSYRVQLSDGW-JQHSSLGASA-N 0 0 345.439 3.687 50 30 EHEARN C/C(NC(=O)c1ccc(Cl)nc1Cl)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C ZINC000100811935 206256016 /nfs/dbraw/zinc/25/60/16/206256016.db2.gz CSRPTGBOBUQKPC-SFXFDHEWSA-N 0 0 339.222 3.637 50 30 EHEARN COc1cc(CN(c2snc(Cl)c2C#N)C2CC2)ccc1O ZINC000170601920 206584664 /nfs/dbraw/zinc/58/46/64/206584664.db2.gz DYMIMMHXJZHKAH-UHFFFAOYSA-N 0 0 335.816 3.551 50 30 EHEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1OC(C)C ZINC000008723113 210990301 /nfs/dbraw/zinc/99/03/01/210990301.db2.gz BJEPVAFGKUBDCL-UHFFFAOYSA-N 0 0 338.407 3.642 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000006493585 210640863 /nfs/dbraw/zinc/64/08/63/210640863.db2.gz PRMZVHGCZZEVBX-OAHLLOKOSA-N 0 0 327.767 3.548 50 30 EHEARN N#Cc1ccccc1OCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000013099662 207286115 /nfs/dbraw/zinc/28/61/15/207286115.db2.gz RRYWGOJLOUXQJB-UHFFFAOYSA-N 0 0 349.434 3.956 50 30 EHEARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CC1(C#N)CC1 ZINC000096500953 218876448 /nfs/dbraw/zinc/87/64/48/218876448.db2.gz OOZLEMZRAGUONM-JTQLQIEISA-N 0 0 347.267 3.620 50 30 EHEARN C=CCn1c(SC)nc2sc3c(c2c1=O)CC(C)(C)SC3 ZINC000004898854 210316453 /nfs/dbraw/zinc/31/64/53/210316453.db2.gz AJRVSKBFWNXAAW-UHFFFAOYSA-N 0 0 338.523 3.934 50 30 EHEARN O=C(/C=C\c1ccc(F)cc1)c1cc(Br)ccc(=O)c1O ZINC000097474816 219028522 /nfs/dbraw/zinc/02/85/22/219028522.db2.gz QJSPXRCYYDHPBH-CLTKARDFSA-N 0 0 349.155 3.550 50 30 EHEARN N#Cc1ccc(CNC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000194090221 257951702 /nfs/dbraw/zinc/95/17/02/257951702.db2.gz WGLMXQJOLVZVPR-WOJBJXKFSA-N 0 0 349.434 3.525 50 30 EHEARN N#C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1Cl ZINC000172026185 257955096 /nfs/dbraw/zinc/95/50/96/257955096.db2.gz VQBIECJQBVDEAC-MRXNPFEDSA-N 0 0 326.783 3.684 50 30 EHEARN Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000328595855 258042745 /nfs/dbraw/zinc/04/27/45/258042745.db2.gz GZUSDTUNUWZGGY-AWEZNQCLSA-N 0 0 344.440 3.763 50 30 EHEARN C=CCN(C(=O)COC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000051356111 258015563 /nfs/dbraw/zinc/01/55/63/258015563.db2.gz TXDUTNYNFGTUHI-UHFFFAOYSA-N 0 0 329.783 3.716 50 30 EHEARN C=C(C)COc1ccc(NC(=O)COc2ccccc2OC)cc1 ZINC000009813041 258018131 /nfs/dbraw/zinc/01/81/31/258018131.db2.gz YQOMJTYYJAYUCE-UHFFFAOYSA-N 0 0 327.380 3.668 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1 ZINC000007720093 258018150 /nfs/dbraw/zinc/01/81/50/258018150.db2.gz AJSBBQWBTLVUDT-UHFFFAOYSA-N 0 0 333.391 3.873 50 30 EHEARN CN(Cc1ccc(C#N)cc1F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000025022393 258057498 /nfs/dbraw/zinc/05/74/98/258057498.db2.gz QIQPRIREBYRFNG-UHFFFAOYSA-N 0 0 333.750 3.891 50 30 EHEARN COC(=O)/C(=N/Nc1ccccc1Cl)N1CCCc2ccccc21 ZINC000002207620 135656708 /nfs/dbraw/zinc/65/67/08/135656708.db2.gz NCOMDXNBFHHIHW-FXBPSFAMSA-N 0 0 343.814 3.691 50 30 EHEARN C=C(C)CN(CC)C(=O)CSc1ccc([N+](=O)[O-])cc1Cl ZINC000096010332 518593679 /nfs/dbraw/zinc/59/36/79/518593679.db2.gz DKHDIUNXBQKSSR-UHFFFAOYSA-N 0 0 328.821 3.765 50 30 EHEARN C=CCN(Cc1cccs1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000044874980 518789545 /nfs/dbraw/zinc/78/95/45/518789545.db2.gz GFJZDMHZHSOLSP-UHFFFAOYSA-N 0 0 325.437 3.772 50 30 EHEARN C=CCOc1ccc(/C=C\C(=O)Oc2ccc(-c3nnco3)cc2)cc1 ZINC000096602513 519016683 /nfs/dbraw/zinc/01/66/83/519016683.db2.gz GIVLOGCPQUMQOD-XGICHPGQSA-N 0 0 348.358 3.920 50 30 EHEARN C=CCn1c([C@H](CCCC)C[C@H](O)COCC(C)C)n[nH]c1=S ZINC000005737231 519259546 /nfs/dbraw/zinc/25/95/46/519259546.db2.gz YMMCAWZUKOBVRL-CABCVRRESA-N 0 0 341.521 3.824 50 30 EHEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020533336 520417555 /nfs/dbraw/zinc/41/75/55/520417555.db2.gz BPCAXMVPVNTGJT-WQRHYEAKSA-N 0 0 338.407 3.635 50 30 EHEARN COc1ccc(C(=O)/C=C\c2cccc(OC)c2OC)cc1OC ZINC000033396217 523544170 /nfs/dbraw/zinc/54/41/70/523544170.db2.gz KHZBNBAMBIGBMC-NTMALXAHSA-N 0 0 328.364 3.617 50 30 EHEARN COc1ccccc1N(CCC#N)C(=O)CSc1ccccc1F ZINC000006509567 524529225 /nfs/dbraw/zinc/52/92/25/524529225.db2.gz LFUFGNXNYSPURF-UHFFFAOYSA-N 0 0 344.411 3.873 50 30 EHEARN COc1ccccc1N(CCC#N)C(=O)CSc1ccc(F)cc1 ZINC000002620488 524529340 /nfs/dbraw/zinc/52/93/40/524529340.db2.gz OBBJWFYUJAZJDU-UHFFFAOYSA-N 0 0 344.411 3.873 50 30 EHEARN COc1ccccc1NC=CC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000458796 524534148 /nfs/dbraw/zinc/53/41/48/524534148.db2.gz CPKAFLZWIHKBOH-MDZDMXLPSA-N 0 0 343.379 3.530 50 30 EHEARN COc1cccc(CN=Nc2nc(-c3cccc(O)c3)cs2)c1 ZINC000004475464 525772202 /nfs/dbraw/zinc/77/22/02/525772202.db2.gz NPPYLOFJWWWJNW-VCHYOVAHSA-N 0 0 325.393 3.970 50 30 EHEARN Cc1nn(C)c(C)c1CCC(=O)Nc1ccccc1SCCC#N ZINC000095953416 527621019 /nfs/dbraw/zinc/62/10/19/527621019.db2.gz GXMNPIHARZXSIB-UHFFFAOYSA-N 0 0 342.468 3.614 50 30 EHEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000000048668 563213424 /nfs/dbraw/zinc/21/34/24/563213424.db2.gz DHIAXPDBWKTVFF-GZIVZEMBSA-N 0 0 333.317 3.587 50 30 EHEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000000066981 563214419 /nfs/dbraw/zinc/21/44/19/563214419.db2.gz WRDNTZOCAOVAOF-AWEZNQCLSA-N 0 0 335.194 3.607 50 30 EHEARN CN(C)c1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000000731200 563362783 /nfs/dbraw/zinc/36/27/83/563362783.db2.gz XPNRQZTXCXNUBZ-WOJGMQOQSA-N 0 0 332.860 3.727 50 30 EHEARN CC(C)(C)c1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)no1 ZINC000002115701 563423110 /nfs/dbraw/zinc/42/31/10/563423110.db2.gz GUQDSFCSSVGJJI-UHFFFAOYSA-N 0 0 336.207 3.744 50 30 EHEARN C=CC[C@@H](C)C(=O)N1CCC(n2c(C)nc3ccc(F)cc32)CC1 ZINC000034915186 563484216 /nfs/dbraw/zinc/48/42/16/563484216.db2.gz TXYIKUDUMOIRLM-CYBMUJFWSA-N 0 0 329.419 3.860 50 30 EHEARN O=C1N/C(=N\N=C/c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1 ZINC000004996944 563518091 /nfs/dbraw/zinc/51/80/91/563518091.db2.gz QJKTVDNFULKDMZ-MXDDHBLUSA-N 0 0 343.839 3.504 50 30 EHEARN CSc1nc2n(n1)[C@H](c1sccc1C)C1C(=O)C[C@@H](C)CC1=N2 ZINC000004998966 563518101 /nfs/dbraw/zinc/51/81/01/563518101.db2.gz NSNPHWHPWDWBRF-SDBXPKJASA-N 0 0 346.481 3.638 50 30 EHEARN Cc1c(Cl)cccc1NC(=O)C(=O)C=C(O)C=Cc1ccccc1 ZINC000005399607 563531187 /nfs/dbraw/zinc/53/11/87/563531187.db2.gz QALCWRIBZQFOHM-ZHACJKMWSA-N 0 0 341.794 3.829 50 30 EHEARN CC1N=CN(c2ccncc2)N(N=Cc2ccc(Cl)cc2)C1=O ZINC000005482429 563534710 /nfs/dbraw/zinc/53/47/10/563534710.db2.gz LFJPGBZIBKJTRU-KEBDBYFISA-N 0 0 327.775 3.581 50 30 EHEARN CCc1cc(C(=O)/C=C/c2cc3c(cc2C)OCCO3)c(O)cc1O ZINC000006225073 563561703 /nfs/dbraw/zinc/56/17/03/563561703.db2.gz OQPLFUZQPMOVNN-SNAWJCMRSA-N 0 0 340.375 3.636 50 30 EHEARN N#Cc1ccccc1CN1CCc2nc(-c3cccc(F)c3)[nH]c2C1 ZINC000097527824 563641089 /nfs/dbraw/zinc/64/10/89/563641089.db2.gz ZROLLTYLWQJGRT-UHFFFAOYSA-N 0 0 332.382 3.646 50 30 EHEARN N#Cc1ccc(NC2CC2)c(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 ZINC000286083875 563642908 /nfs/dbraw/zinc/64/29/08/563642908.db2.gz VXJOZCWFYXVKSU-KRWDZBQOSA-N 0 0 347.418 3.889 50 30 EHEARN COC(=O)CCN1CCc2cc(/N=N/c3ccc(C#N)cc3)ccc21 ZINC000004344369 563661832 /nfs/dbraw/zinc/66/18/32/563661832.db2.gz UFTMZOJRXUYMMB-QURGRASLSA-N 0 0 334.379 3.899 50 30 EHEARN C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1ccco1)c1ccccc1O ZINC000013122829 563688865 /nfs/dbraw/zinc/68/88/65/563688865.db2.gz ZPWJWOWWNGHPGK-PPRFWAEMSA-N 0 0 347.374 3.976 50 30 EHEARN C=CCSc1ccccc1NC(=O)c1ccc(CNC(C)=O)cc1 ZINC000032738260 563722882 /nfs/dbraw/zinc/72/28/82/563722882.db2.gz JUEJUSIYIPCTEO-UHFFFAOYSA-N 0 0 340.448 3.853 50 30 EHEARN CCOc1ccccc1/C=C1\Oc2cc(OCC(C)=O)ccc2C1=O ZINC000013814791 563724440 /nfs/dbraw/zinc/72/44/40/563724440.db2.gz QGZNQUXQIWBXTH-GRSHGNNSSA-N 0 0 338.359 3.669 50 30 biogenic EHEARN O=C1c2ccc(O)cc2O/C1=C\c1coc2ccc(Cl)cc2c1=O ZINC000004514648 563748923 /nfs/dbraw/zinc/74/89/23/563748923.db2.gz OUMWNINQKWVYAC-BNCCVWRVSA-N 0 0 340.718 3.768 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccccc2Cl)cc1 ZINC000017016692 563828931 /nfs/dbraw/zinc/82/89/31/563828931.db2.gz SDPXEPWNURJHPO-OAHLLOKOSA-N 0 0 327.767 3.514 50 30 EHEARN N#Cc1ccc(-c2cccc(CN[C@H](C(N)=O)c3ccccc3)c2)s1 ZINC000072292519 563910223 /nfs/dbraw/zinc/91/02/23/563910223.db2.gz NZCAICCIHNDZOW-IBGZPJMESA-N 0 0 347.443 3.603 50 30 EHEARN Cc1ccccc1-c1noc([C@@H](C)ON=C(N)Cc2ccccc2)n1 ZINC000072305379 563914755 /nfs/dbraw/zinc/91/47/55/563914755.db2.gz PPTKSQRLFUYJOX-CQSZACIVSA-N 0 0 336.395 3.638 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(OC)cc2)CCO[C@](C)(CC)C1 ZINC000004951054 563919025 /nfs/dbraw/zinc/91/90/25/563919025.db2.gz WFBNDJNPEABRFD-SXLOBPIMSA-N 0 0 345.439 3.615 50 30 EHEARN N#Cc1ccc(NCC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000011155662 563936399 /nfs/dbraw/zinc/93/63/99/563936399.db2.gz WMBUEXLOYSSNLF-FQEVSTJZSA-N 0 0 347.443 3.937 50 30 EHEARN COc1ccc2oc(C)c(C(=O)N(CCC#N)Cc3cccnc3)c2c1 ZINC000058295405 563941854 /nfs/dbraw/zinc/94/18/54/563941854.db2.gz COEAWNRZGKCRLG-UHFFFAOYSA-N 0 0 349.390 3.701 50 30 EHEARN C[C@@H](CC#N)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000058377414 563944213 /nfs/dbraw/zinc/94/42/13/563944213.db2.gz SDCNBWIAGWRDJG-INIZCTEOSA-N 0 0 344.418 3.630 50 30 EHEARN C=CCn1c(NC(=O)c2ccccc2)c(C(=O)OCC)sc1=S ZINC000003193253 563949766 /nfs/dbraw/zinc/94/97/66/563949766.db2.gz GDWVNHXNVAJOQA-UHFFFAOYSA-N 0 0 348.449 3.894 50 30 EHEARN COC(=O)c1ccc(CN=Nc2ncnc3sc(C)c(C)c32)cc1 ZINC000004679988 563963892 /nfs/dbraw/zinc/96/38/92/563963892.db2.gz DQJKJKCVTHGNTP-DNTJNYDQSA-N 0 0 340.408 3.541 50 30 EHEARN COC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N ZINC000004794671 563974774 /nfs/dbraw/zinc/97/47/74/563974774.db2.gz CGESCTLHXDMTIK-UHFFFAOYSA-N 0 0 342.464 3.686 50 30 EHEARN Cc1c(/N=C/c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000100271114 563982482 /nfs/dbraw/zinc/98/24/82/563982482.db2.gz JVBNUGGDDDTNSS-UDWIEESQSA-N 0 0 325.799 3.888 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000014242650 563983674 /nfs/dbraw/zinc/98/36/74/563983674.db2.gz NLIGANASPZVTPM-GOSISDBHSA-N 0 0 348.402 3.697 50 30 EHEARN COc1cccc([C@H]2CC(=O)C=C(NCc3ccccc3OC)C2)c1 ZINC000100150859 563984075 /nfs/dbraw/zinc/98/40/75/563984075.db2.gz KBKAEXXZKUMYEY-QGZVFWFLSA-N 0 0 337.419 3.824 50 30 EHEARN CN(Cc1ccccc1)c1oc(COc2ccc(F)cc2)nc1C#N ZINC000000108446 563986570 /nfs/dbraw/zinc/98/65/70/563986570.db2.gz DSJWKHMNRPKDKE-UHFFFAOYSA-N 0 0 337.354 3.901 50 30 EHEARN C=CCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000000201077 563988328 /nfs/dbraw/zinc/98/83/28/563988328.db2.gz KSVBURUUNGFSIM-UHFFFAOYSA-N 0 0 339.826 3.848 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccco1 ZINC000004918664 563992473 /nfs/dbraw/zinc/99/24/73/563992473.db2.gz XNXIPYJNNJMEHL-CRAIPNDOSA-N 0 0 328.339 3.738 50 30 EHEARN C#CCCCC(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC000408514632 563992933 /nfs/dbraw/zinc/99/29/33/563992933.db2.gz DCWNBRHGNYKVMT-UHFFFAOYSA-N 0 0 341.798 3.729 50 30 EHEARN Cc1c(Cl)cccc1-n1c(SCC#N)nc2ccccc2c1=O ZINC000004978385 563993560 /nfs/dbraw/zinc/99/35/60/563993560.db2.gz BAWCQWBERJWCCZ-UHFFFAOYSA-N 0 0 341.823 3.963 50 30 EHEARN CCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000005092569 563994285 /nfs/dbraw/zinc/99/42/85/563994285.db2.gz FZVNHHVAJMYSBL-WWAMGSKZSA-N 0 0 341.436 3.914 50 30 EHEARN CC(C)c1ccc(C#N)c(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 ZINC000534635302 563996695 /nfs/dbraw/zinc/99/66/95/563996695.db2.gz PSMHFXQXOOTBSY-GOSISDBHSA-N 0 0 349.434 3.652 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)c1cccc(Br)c1 ZINC000005511474 564004865 /nfs/dbraw/zinc/00/48/65/564004865.db2.gz XSPZLRCBDBZKCM-UHFFFAOYSA-N 0 0 332.153 3.549 50 30 EHEARN C[C@@H]1CC(=O)C=C(Nc2ccccc2I)C1 ZINC000005587063 564006010 /nfs/dbraw/zinc/00/60/10/564006010.db2.gz BQZFGXYTGFLBCG-VIFPVBQESA-N 0 0 327.165 3.586 50 30 EHEARN CCN(C(=O)CSc1nc(C)cc(C)c1C#N)C1CCCCC1 ZINC000005643342 564006915 /nfs/dbraw/zinc/00/69/15/564006915.db2.gz MNKBGVVJERDFMN-UHFFFAOYSA-N 0 0 331.485 3.843 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000005643316 564006945 /nfs/dbraw/zinc/00/69/45/564006945.db2.gz FVSYDJLVACZPLK-DIOULYMOSA-N 0 0 331.485 3.603 50 30 EHEARN COc1cc(C=O)cc(Br)c1OCc1ccccc1C#N ZINC000005661121 564013073 /nfs/dbraw/zinc/01/30/73/564013073.db2.gz SFVJDLJNYZDRLM-UHFFFAOYSA-N 0 0 346.180 3.721 50 30 EHEARN O=C(/C=C/c1ccc(I)o1)c1cccs1 ZINC000004598747 564013877 /nfs/dbraw/zinc/01/38/77/564013877.db2.gz YQQOACVWGWZJSB-HWKANZROSA-N 0 0 330.146 3.842 50 30 EHEARN CCCc1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)cc2)s1 ZINC000103349528 564022137 /nfs/dbraw/zinc/02/21/37/564022137.db2.gz PRQJIHMJFJUEQK-ZDUSSCGKSA-N 0 0 345.399 3.504 50 30 EHEARN C[C@H]1CN(c2oc(Cc3cccc4ccccc43)nc2C#N)C[C@H](C)O1 ZINC000000543727 564022538 /nfs/dbraw/zinc/02/25/38/564022538.db2.gz PIWVNPGBSDWNSM-GJZGRUSLSA-N 0 0 347.418 3.904 50 30 EHEARN COc1cc(/C=C2/S/C(=N/c3ccccc3C)NC2=O)ccc1O ZINC000004473367 564024511 /nfs/dbraw/zinc/02/45/11/564024511.db2.gz XRSBJERFRJRTCO-MHWRWJLKSA-N 0 0 340.404 3.601 50 30 EHEARN O=C(C=CNc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000044842657 564027372 /nfs/dbraw/zinc/02/73/72/564027372.db2.gz XMWJUUMZULLCBA-BQYQJAHWSA-N 0 0 346.180 3.986 50 30 EHEARN N#Cc1ccc(-c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 ZINC000045390864 564028426 /nfs/dbraw/zinc/02/84/26/564028426.db2.gz KHYKISCIUUOMQS-UHFFFAOYSA-N 0 0 349.349 3.877 50 30 in-vivo EHEARN Cc1cccc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2)c1 ZINC000045939664 564028892 /nfs/dbraw/zinc/02/88/92/564028892.db2.gz XOKHZRGETLBKQH-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN Cc1ccccc1C(=O)N=C(NCc1ccncc1)Nc1ccccc1 ZINC000045940152 564028920 /nfs/dbraw/zinc/02/89/20/564028920.db2.gz GSDXKHDDLLDZJS-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(F)cc1)=C2 ZINC000049547808 564032764 /nfs/dbraw/zinc/03/27/64/564032764.db2.gz SPCMWNJELKRGTI-UHFFFAOYSA-N 0 0 341.382 3.555 50 30 EHEARN N#Cc1ccc(Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 ZINC000049550225 564032801 /nfs/dbraw/zinc/03/28/01/564032801.db2.gz NCGQFNJSVTXUMO-UHFFFAOYSA-N 0 0 337.382 3.983 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000051593775 564033670 /nfs/dbraw/zinc/03/36/70/564033670.db2.gz QOFKFJMRUPZKLL-UHFFFAOYSA-N 0 0 343.843 3.928 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000007712468 564034455 /nfs/dbraw/zinc/03/44/55/564034455.db2.gz MPEXPOBPQAMMOR-GQCTYLIASA-N 0 0 349.289 3.786 50 30 EHEARN N#Cc1c(Cl)nsc1NCc1cccnc1OCC(F)(F)F ZINC000051907996 564051037 /nfs/dbraw/zinc/05/10/37/564051037.db2.gz NPFGADINVXGLKR-UHFFFAOYSA-N 0 0 348.737 3.616 50 30 EHEARN N#CCc1cc(OC(F)F)cc(Br)c1Br ZINC000263624008 564056473 /nfs/dbraw/zinc/05/64/73/564056473.db2.gz MOFNRQJLVJQZCT-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN C=CCC[C@@H]([C@@H](O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000005942492 564057232 /nfs/dbraw/zinc/05/72/32/564057232.db2.gz LEDVMICFVIMRJJ-OALUTQOASA-N 0 0 330.449 3.837 50 30 EHEARN Cc1sc(NC=C2N=C(c3ccc(C)cc3)OC2=O)c(C#N)c1C ZINC000005968918 564057330 /nfs/dbraw/zinc/05/73/30/564057330.db2.gz DJGNVVZUOJUDMX-OQLLNIDSSA-N 0 0 337.404 3.802 50 30 EHEARN C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@H](C)c1nccs1 ZINC000183762849 564057845 /nfs/dbraw/zinc/05/78/45/564057845.db2.gz ZZWMKDAMRMGZFH-LBPRGKRZSA-N 0 0 347.415 3.562 50 30 EHEARN C=CCO[C@@H](C)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000058014537 564065245 /nfs/dbraw/zinc/06/52/45/564065245.db2.gz ZQACXCCXQIKLRZ-AWEZNQCLSA-N 0 0 328.437 3.904 50 30 EHEARN CCN(CC)C(=O)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000012744273 564065541 /nfs/dbraw/zinc/06/55/41/564065541.db2.gz VIMBJEXRJDANRY-UHFFFAOYSA-N 0 0 335.451 3.525 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cccc(Cl)c1 ZINC000012811150 564072788 /nfs/dbraw/zinc/07/27/88/564072788.db2.gz QAFDITMMRQLYCB-UHFFFAOYSA-N 0 0 339.782 3.834 50 30 EHEARN Cc1ccsc1[C@H]1NC(=S)NC(C)=C1C(=O)c1ccccc1 ZINC000006051337 564073051 /nfs/dbraw/zinc/07/30/51/564073051.db2.gz DRWKBZDPFPFXCD-AWEZNQCLSA-N 0 0 328.462 3.732 50 30 EHEARN C=CCn1c(SCc2cc(C)no2)nc2ccc(Cl)cc2c1=O ZINC000014187944 564074093 /nfs/dbraw/zinc/07/40/93/564074093.db2.gz FMIQOGJQIJRRSB-UHFFFAOYSA-N 0 0 347.827 3.825 50 30 EHEARN C=C(C)C(=O)OCCOC(=O)NC(C)(C)c1cccc(C(=C)C)c1 ZINC000034732964 564079380 /nfs/dbraw/zinc/07/93/80/564079380.db2.gz XZWLUVUMBIRBOF-UHFFFAOYSA-N 0 0 331.412 3.800 50 30 EHEARN C/C(=N\N=c1/scc(C)n1Cc1ccco1)c1ccc(F)cc1 ZINC000006238960 564083180 /nfs/dbraw/zinc/08/31/80/564083180.db2.gz ZALIEGXCSIPKLI-CENPHJODSA-N 0 0 329.400 3.963 50 30 EHEARN COc1ccc(Nc2c(C#N)cnc3ccc(OC)cc32)c(OC)c1 ZINC000064438783 564091306 /nfs/dbraw/zinc/09/13/06/564091306.db2.gz FDWHDLQASLWJPO-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN COc1cc(/C=C/C(=O)c2nn(C)cc2Cl)ccc1OC(F)F ZINC000006925490 564101468 /nfs/dbraw/zinc/10/14/68/564101468.db2.gz XVDIUMXBDUHNBE-HWKANZROSA-N 0 0 342.729 3.580 50 30 EHEARN Cc1nc(S[C@H](C)C(=O)N2CCCCCC2)c(C#N)c(C)c1C ZINC000007188859 564105654 /nfs/dbraw/zinc/10/56/54/564105654.db2.gz UQITXEFICNEUBF-OAHLLOKOSA-N 0 0 331.485 3.762 50 30 EHEARN C[C@H](Nc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000007222551 564105854 /nfs/dbraw/zinc/10/58/54/564105854.db2.gz QTPKGRVVJMAASF-NSHDSACASA-N 0 0 344.212 3.760 50 30 EHEARN C[C@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000007222561 564105895 /nfs/dbraw/zinc/10/58/95/564105895.db2.gz XPUHJLSBVITUPX-NSHDSACASA-N 0 0 344.212 3.760 50 30 EHEARN Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c2ccccc2n1 ZINC000065515620 564106760 /nfs/dbraw/zinc/10/67/60/564106760.db2.gz XEOROSLYGUWKDT-UHFFFAOYSA-N 0 0 346.390 3.873 50 30 EHEARN N#CCc1ccc(NC(=O)c2cnc3c(F)cc(F)cc3c2O)cc1 ZINC000170600168 564109298 /nfs/dbraw/zinc/10/92/98/564109298.db2.gz BHDUMDKKVFOUMH-UHFFFAOYSA-N 0 0 339.301 3.537 50 30 EHEARN Cc1c(N=Cc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000250863633 564112148 /nfs/dbraw/zinc/11/21/48/564112148.db2.gz XWIFJZBWNRFBES-UHFFFAOYSA-N 0 0 325.799 3.888 50 30 EHEARN CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC000076092022 564115651 /nfs/dbraw/zinc/11/56/51/564115651.db2.gz UDUUMWILNLLCOR-SJORKVTESA-N 0 0 327.428 3.808 50 30 EHEARN O=C(CCCOc1ccccc1)N1CCSC1=Nc1cccnc1 ZINC000252467516 564118828 /nfs/dbraw/zinc/11/88/28/564118828.db2.gz PNCLXYOWJGWMPE-UHFFFAOYSA-N 0 0 341.436 3.504 50 30 EHEARN C#CCOC1CCC(COC(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000252499833 564119715 /nfs/dbraw/zinc/11/97/15/564119715.db2.gz SFVGSDSDYJICCO-UHFFFAOYSA-N 0 0 344.238 3.697 50 30 EHEARN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000194090190 564120400 /nfs/dbraw/zinc/12/04/00/564120400.db2.gz WGLMXQJOLVZVPR-VQTJNVASSA-N 0 0 349.434 3.525 50 30 EHEARN Cc1ccn2cc(-c3ccc(NC(=O)CSCC#N)cc3)nc2c1 ZINC000194267316 564120466 /nfs/dbraw/zinc/12/04/66/564120466.db2.gz RAFRIHOBLMYWQG-UHFFFAOYSA-N 0 0 336.420 3.505 50 30 EHEARN COC(=O)/C(=N/Nc1cccc(Cl)c1)N1CCCc2ccccc21 ZINC000002197593 564120820 /nfs/dbraw/zinc/12/08/20/564120820.db2.gz FYSKFIIDAPPIDP-FXBPSFAMSA-N 0 0 343.814 3.691 50 30 EHEARN Cc1cc(C)c(NC(=O)CN(C)c2cccc(F)c2C#N)c(C)c1 ZINC000007903118 564125007 /nfs/dbraw/zinc/12/50/07/564125007.db2.gz BILACPLRGXTDIO-UHFFFAOYSA-N 0 0 325.387 3.698 50 30 EHEARN CCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000002260132 564125334 /nfs/dbraw/zinc/12/53/34/564125334.db2.gz FZVNHHVAJMYSBL-KVBLSVFTSA-N 0 0 341.436 3.914 50 30 EHEARN C=CCSc1nnc2c3c4c(sc3nc(SC)n12)CCC4 ZINC000002278257 564125643 /nfs/dbraw/zinc/12/56/43/564125643.db2.gz FDDFPJJAKVTYHQ-UHFFFAOYSA-N 0 0 334.495 3.828 50 30 EHEARN [O-]C(=Nc1cn(C23CC4CC(CC(C4)C2)C3)n[o+]1)Nc1ccccc1 ZINC000135913631 564130137 /nfs/dbraw/zinc/13/01/37/564130137.db2.gz PZCPRMSSYYSKRX-UHFFFAOYSA-O 0 0 339.419 3.545 50 30 EHEARN N#Cc1c2c(c(NCc3cccnc3)n3c4ccccc4nc13)CCC2 ZINC000000083710 564132809 /nfs/dbraw/zinc/13/28/09/564132809.db2.gz GYVDMWVPDNIPMH-UHFFFAOYSA-N 0 0 339.402 3.855 50 30 EHEARN CC[C@](C)(C#CCN1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055236547 564134559 /nfs/dbraw/zinc/13/45/59/564134559.db2.gz KBFGKQRTONEQHI-WOJBJXKFSA-N 0 0 325.456 3.711 50 30 EHEARN CN(Cc1ccccc1)c1ncccc1CNc1ccc(C#N)cn1 ZINC000067983027 564134957 /nfs/dbraw/zinc/13/49/57/564134957.db2.gz SZTWGELVXXJQNE-UHFFFAOYSA-N 0 0 329.407 3.597 50 30 EHEARN C[C@@H](c1ccc(-c2nc3c(cc2C#N)CCCC3)cc1)N1CCOCC1 ZINC000426489661 564135070 /nfs/dbraw/zinc/13/50/70/564135070.db2.gz OFDLNZFBMDGJGO-INIZCTEOSA-N 0 0 347.462 3.892 50 30 EHEARN N#Cc1ccc(O)c(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)c1 ZINC000534589999 564136012 /nfs/dbraw/zinc/13/60/12/564136012.db2.gz BSMJOYBAZVNRMI-UHFFFAOYSA-N 0 0 342.345 3.802 50 30 EHEARN CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2ccc(C#N)nc2)cc1 ZINC000534668514 564136065 /nfs/dbraw/zinc/13/60/65/564136065.db2.gz RTAXCHJUBOVOQY-FQEVSTJZSA-N 0 0 349.434 3.651 50 30 EHEARN Cc1nc([C@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)cs1 ZINC000328587865 564136584 /nfs/dbraw/zinc/13/65/84/564136584.db2.gz CJOWSRKFBMABTH-QGZVFWFLSA-N 0 0 340.452 3.617 50 30 EHEARN Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc3c1OCC[C@H]3O)O2 ZINC000328588800 564136640 /nfs/dbraw/zinc/13/66/40/564136640.db2.gz QEHROEDOEGIQHK-SJLPKXTDSA-N 0 0 339.391 3.793 50 30 EHEARN Cc1cnc(CCNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)s1 ZINC000328593778 564136812 /nfs/dbraw/zinc/13/68/12/564136812.db2.gz ILPDAZRCRJKQSG-KBXCAEBGSA-N 0 0 328.437 3.691 50 30 EHEARN N#CCSc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC000079891370 564138357 /nfs/dbraw/zinc/13/83/57/564138357.db2.gz SXHGWFMQHFIYMU-INIZCTEOSA-N 0 0 341.823 3.950 50 30 EHEARN N#Cc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)nc2)cc1 ZINC000095393497 564139385 /nfs/dbraw/zinc/13/93/85/564139385.db2.gz SOOYBWKYLJYNEN-UHFFFAOYSA-N 0 0 344.374 3.714 50 30 EHEARN CCN(c1ccc(C(=O)N2CCc3ccc(C#N)cc32)cc1)C(C)C ZINC000095441518 564140484 /nfs/dbraw/zinc/14/04/84/564140484.db2.gz BROVWCHBLAMNDC-UHFFFAOYSA-N 0 0 333.435 3.996 50 30 EHEARN CCS(=O)(=O)c1ccc(CNc2c(Cl)cccc2C#N)cc1 ZINC000095464282 564140900 /nfs/dbraw/zinc/14/09/00/564140900.db2.gz BIZOVZLKHZWVBQ-UHFFFAOYSA-N 0 0 334.828 3.617 50 30 EHEARN COc1ccc(CC(=O)Nc2ccccc2SCCC#N)cc1 ZINC000095953464 564142437 /nfs/dbraw/zinc/14/24/37/564142437.db2.gz JHKHHHQPUDXMIA-UHFFFAOYSA-N 0 0 326.421 3.882 50 30 EHEARN N#Cc1ccc(CNc2ccccc2N2CCC(CO)CC2)c(F)c1 ZINC000095966452 564142953 /nfs/dbraw/zinc/14/29/53/564142953.db2.gz CBGJOJDNFVASRZ-UHFFFAOYSA-N 0 0 339.414 3.518 50 30 EHEARN CCc1nc(-c2cc(C#N)cn2C)n(Cc2c(F)cccc2Cl)n1 ZINC000096163850 564145805 /nfs/dbraw/zinc/14/58/05/564145805.db2.gz UWFIBMRMOMAERM-UHFFFAOYSA-N 0 0 343.793 3.558 50 30 EHEARN C#CCOc1ccc(N(C)C(=O)c2csc([C@@H](C)OCC)n2)cc1 ZINC000096416463 564147813 /nfs/dbraw/zinc/14/78/13/564147813.db2.gz SYBKDACCBFTCIF-CYBMUJFWSA-N 0 0 344.436 3.529 50 30 EHEARN COc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1N1CCCC1=O ZINC000096436953 564148058 /nfs/dbraw/zinc/14/80/58/564148058.db2.gz GNBICHNDUKWHBI-CQSZACIVSA-N 0 0 335.407 3.867 50 30 EHEARN COc1ccccc1[C@@H](C#N)NC(=O)c1scnc1C1CCCC1 ZINC000097115700 564149473 /nfs/dbraw/zinc/14/94/73/564149473.db2.gz KEKDWXOJRZVDDQ-CQSZACIVSA-N 0 0 341.436 3.804 50 30 EHEARN Cc1cc(SCC(=O)N[C@](C)(C#N)C(C)C)nc2ccccc12 ZINC000002629811 564151436 /nfs/dbraw/zinc/15/14/36/564151436.db2.gz DQGIGOWXHHWLKO-GOSISDBHSA-N 0 0 327.453 3.690 50 30 EHEARN CCCC/N=C(\C(=O)NC1CCCCC1)c1ccccc1NC(C)=O ZINC000002950706 564153746 /nfs/dbraw/zinc/15/37/46/564153746.db2.gz WAQXKEHLKBKQAA-VZCXRCSSSA-N 0 0 343.471 3.683 50 30 EHEARN CN(C)/C=C(\C(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl ZINC000003047029 564154637 /nfs/dbraw/zinc/15/46/37/564154637.db2.gz XFQHRZKUIJTBED-ALCCZGGFSA-N 0 0 346.658 3.788 50 30 EHEARN N#Cc1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCC2 ZINC000003305097 564157247 /nfs/dbraw/zinc/15/72/47/564157247.db2.gz ROAHDCFSIZNRKP-UHFFFAOYSA-N 0 0 347.783 3.922 50 30 EHEARN N#Cc1cccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000003328451 564157352 /nfs/dbraw/zinc/15/73/52/564157352.db2.gz WUPRQIIFFOCYNX-UHFFFAOYSA-N 0 0 348.427 3.950 50 30 EHEARN COc1ccc2[nH]cc(C3=CCN(c4ncccc4C#N)CC3)c2c1 ZINC000058185770 564157994 /nfs/dbraw/zinc/15/79/94/564157994.db2.gz ATBFWJCPXPHOOB-UHFFFAOYSA-N 0 0 330.391 3.737 50 30 EHEARN Cc1nc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2o1 ZINC000058344447 564158762 /nfs/dbraw/zinc/15/87/62/564158762.db2.gz ZRWKPTMYIMAJOG-UHFFFAOYSA-N 0 0 346.346 3.952 50 30 EHEARN CCCCCCOc1ccc(CN=Nc2nccs2)cc1OC ZINC000003961644 564159814 /nfs/dbraw/zinc/15/98/14/564159814.db2.gz AHBSCLYFETXZJI-UHFFFAOYSA-N 0 0 333.457 3.979 50 30 EHEARN N#Cc1cnn2c1nccc2-c1ccc(-n2cnc3ccccc32)cc1 ZINC000004023845 564160065 /nfs/dbraw/zinc/16/00/65/564160065.db2.gz FDYHIGYWMDHIFI-UHFFFAOYSA-N 0 0 336.358 3.607 50 30 EHEARN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000068723462 564167680 /nfs/dbraw/zinc/16/76/80/564167680.db2.gz USEGFNYIXSTTND-ZYHUDNBSSA-N 0 0 342.301 3.750 50 30 EHEARN CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009051740 564168699 /nfs/dbraw/zinc/16/86/99/564168699.db2.gz ACBXPCJZUVGZOT-UHFFFAOYSA-N 0 0 336.416 3.532 50 30 EHEARN C#Cc1cccc(N(Cc2ccncc2)C(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC000069321542 564168828 /nfs/dbraw/zinc/16/88/28/564168828.db2.gz UPYYZLJOEDCADI-WOJBJXKFSA-N 0 0 342.398 3.993 50 30 EHEARN N#CCc1cccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000069557722 564170395 /nfs/dbraw/zinc/17/03/95/564170395.db2.gz SUWFFOBQKCAUBC-UHFFFAOYSA-N 0 0 349.365 3.519 50 30 EHEARN Cc1csc(-c2cccc(NCC(=O)N[C@@](C)(C#N)C(C)C)c2)n1 ZINC000069567909 564170530 /nfs/dbraw/zinc/17/05/30/564170530.db2.gz SDYQGJMXCJZHEK-SFHVURJKSA-N 0 0 342.468 3.585 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)Cc1ccccc1Cl ZINC000069568103 564170563 /nfs/dbraw/zinc/17/05/63/564170563.db2.gz HGQXGGVRGFPLFG-UHFFFAOYSA-N 0 0 329.787 3.599 50 30 EHEARN CCCC(=O)N[C@](C)(C#N)CCCSc1nc2ccccc2o1 ZINC000069773962 564172106 /nfs/dbraw/zinc/17/21/06/564172106.db2.gz OIUIXFYXIKCNPZ-KRWDZBQOSA-N 0 0 331.441 3.899 50 30 EHEARN Cc1onc(-c2ccccc2)c1C(=O)OCCOc1ccc(C#N)cc1 ZINC000009457803 564173744 /nfs/dbraw/zinc/17/37/44/564173744.db2.gz RXCVEJWMQABYDK-UHFFFAOYSA-N 0 0 348.358 3.758 50 30 EHEARN Cc1cc([C@@H](C#N)C(=O)c2cc3c(s2)CCCCC3)nc(C)n1 ZINC000041573983 564174107 /nfs/dbraw/zinc/17/41/07/564174107.db2.gz KDJHHSOMMHCHCD-CQSZACIVSA-N 0 0 325.437 3.914 50 30 EHEARN Cc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)on1 ZINC000061776546 568416713 /nfs/dbraw/zinc/41/67/13/568416713.db2.gz UBIBANCKGOGRJT-UHFFFAOYSA-N 0 0 348.362 3.969 50 30 EHEARN CCCCOc1ccc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000050574835 1020194484 /nfs/dbraw/zinc/19/44/84/1020194484.db2.gz SFKCTTRQCVVVHR-WDZFZDKYSA-N 0 0 336.391 3.931 50 30 EHEARN N#Cc1cc2c(nc1Sc1ccc([N+](=O)[O-])cc1C=O)CCCC2 ZINC000013573955 1033947055 /nfs/dbraw/zinc/94/70/55/1033947055.db2.gz JDJNACPWMGXLIR-UHFFFAOYSA-N 0 0 339.376 3.704 50 30 EHEARN CC(C)c1ccc(C#N)c(Sc2ccc([N+](=O)[O-])cc2C=O)n1 ZINC000013574089 1033947493 /nfs/dbraw/zinc/94/74/93/1033947493.db2.gz VOMGQBZITLEEAO-UHFFFAOYSA-N 0 0 327.365 3.949 50 30 EHEARN Cc1[nH]nc(C(F)F)c1NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000329258122 1038408113 /nfs/dbraw/zinc/40/81/13/1038408113.db2.gz CFJFWXITGYMLJS-UHFFFAOYSA-N 0 0 339.346 3.917 50 30 EHEARN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000329841906 1040774550 /nfs/dbraw/zinc/77/45/50/1040774550.db2.gz KFKQYOLLTIXUCK-CZUORRHYSA-N 0 0 328.416 3.665 50 30 EHEARN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)C2=O)c1 ZINC000085438186 1127544914 /nfs/dbraw/zinc/54/49/14/1127544914.db2.gz SJMQRQWMJYQOHB-JKSUJKDBSA-N 0 0 327.428 3.551 50 30 EHEARN N#CC1(c2nc(Cc3ccn(-c4ccccc4)n3)no2)CCCCC1 ZINC000585120234 1137012192 /nfs/dbraw/zinc/01/21/92/1137012192.db2.gz AVYMBKBTWZBQHF-UHFFFAOYSA-N 0 0 333.395 3.572 50 30 EHEARN C[C@@H]1CC[C@H](C)N1c1cccc2c1N(C(=O)CSCC#N)CCC2 ZINC000585124394 1137013988 /nfs/dbraw/zinc/01/39/88/1137013988.db2.gz BCHVAQCVIKLUGN-GASCZTMLSA-N 0 0 343.496 3.600 50 30 EHEARN C=C(C)C[C@@H](C)C(=O)N1CC2(CC(OC)(OC)C2)[C@@H]1c1ccccc1 ZINC000585126803 1137017155 /nfs/dbraw/zinc/01/71/55/1137017155.db2.gz IWIHATZPFSFCRG-AEFFLSMTSA-N 0 0 343.467 3.942 50 30 EHEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC[C@H]1c1cccnc1 ZINC000952972188 1137484302 /nfs/dbraw/zinc/48/43/02/1137484302.db2.gz OJLKFMGGCMLYAH-FQEVSTJZSA-N 0 0 346.430 3.952 50 30 EHEARN CC(=CC(O)=C(C#N)C(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000102018326 1137526187 /nfs/dbraw/zinc/52/61/87/1137526187.db2.gz WRRYWTCMCKCHCN-JIIJFUIFSA-N 0 0 344.842 3.901 50 30 EHEARN Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000005129807 1138258749 /nfs/dbraw/zinc/25/87/49/1138258749.db2.gz KUISOKUFQAMXNS-ZZXKWVIFSA-N 0 0 325.320 3.571 50 30 EHEARN C=CCOc1ccc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1 ZINC000004697939 210251395 /nfs/dbraw/zinc/25/13/95/210251395.db2.gz ZGQOXWOCDRGTHE-MRXNPFEDSA-N 0 0 348.354 3.799 50 30 EHEARN C=CCn1cc(CN[C@H](C)c2nc(-c3ccccc3C)no2)c(C)n1 ZINC000055182811 214284639 /nfs/dbraw/zinc/28/46/39/214284639.db2.gz QPUWARPDPQQCCE-OAHLLOKOSA-N 0 0 337.427 3.587 50 30 EHEARN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000004675860 210242247 /nfs/dbraw/zinc/24/22/47/210242247.db2.gz XBZHTEHQUBMAOS-LDADJPATSA-N 0 0 349.434 3.790 50 30 EHEARN C#CC[C@H](NC(=O)/C=C\c1ccc(Br)o1)c1ccccc1 ZINC000098053168 219074312 /nfs/dbraw/zinc/07/43/12/219074312.db2.gz MJLFJRBYSBTNJK-WQTVUKCASA-N 0 0 344.208 3.936 50 30 EHEARN Cc1nc(S[C@@H](C)C(=O)N2CCC(C)CC2)c(C#N)c(C)c1C ZINC000012534493 201852309 /nfs/dbraw/zinc/85/23/09/201852309.db2.gz LYUWTDZHTVUTIZ-HNNXBMFYSA-N 0 0 331.485 3.618 50 30 EHEARN C=C(C)COc1cccc(NC(=O)c2cc(NC(C)=O)ccc2F)c1 ZINC000066462963 215044307 /nfs/dbraw/zinc/04/43/07/215044307.db2.gz MHPSESZJDDUMGU-UHFFFAOYSA-N 0 0 342.370 3.991 50 30 EHEARN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103504191 219308275 /nfs/dbraw/zinc/30/82/75/219308275.db2.gz CAUKEZHFXIIDNY-GFCCVEGCSA-N 0 0 333.174 3.955 50 30 EHEARN Cc1ccc2c(c1Br)C(=NNc1ccccc1)C(=O)N2 ZINC000018122599 201993526 /nfs/dbraw/zinc/99/35/26/201993526.db2.gz GTGLNXZSEOGPEA-UHFFFAOYSA-N 0 0 330.185 3.526 50 30 EHEARN CCC12CN3CC(CC)(CN(C1)C3C1(CCC#N)CCCCC1)C2=O ZINC000019332169 202004442 /nfs/dbraw/zinc/00/44/42/202004442.db2.gz KLRHCUZVHPRLOF-UHFFFAOYSA-N 0 0 343.515 3.573 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1Cl ZINC000019788303 202020743 /nfs/dbraw/zinc/02/07/43/202020743.db2.gz BCVHLICDPLGCEO-KRWDZBQOSA-N 0 0 349.789 3.620 50 30 EHEARN N#Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1 ZINC000021106171 202062097 /nfs/dbraw/zinc/06/20/97/202062097.db2.gz KDXIEEDXAJZVJK-SFHVURJKSA-N 0 0 346.415 3.781 50 30 EHEARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCC#N)cc3)cc2)n1 ZINC000023150292 202099194 /nfs/dbraw/zinc/09/91/94/202099194.db2.gz QOFFFDWQKFAYCC-UHFFFAOYSA-N 0 0 346.390 3.644 50 30 EHEARN CN1C(C)(C)[C@@H]2N(c3cccc4ccccc43)C(=O)ON2C1(C)C ZINC000023633925 202105757 /nfs/dbraw/zinc/10/57/57/202105757.db2.gz HMCWTCVHTVRQCT-MRXNPFEDSA-N 0 0 325.412 3.800 50 30 EHEARN N#CCCN(CCC#N)CCSc1ccc(Br)cc1 ZINC000025426760 202130667 /nfs/dbraw/zinc/13/06/67/202130667.db2.gz OGVKKDINKYKSGY-UHFFFAOYSA-N 0 0 338.274 3.671 50 30 EHEARN C=C(C)c1nc(C#N)c(N=NCc2ccc(Br)cc2)o1 ZINC000027562344 202157511 /nfs/dbraw/zinc/15/75/11/202157511.db2.gz IUMCGVFJHLGHHY-CAOOACKPSA-N 0 0 331.173 3.788 50 30 EHEARN N#CC1(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 ZINC000030290065 202195481 /nfs/dbraw/zinc/19/54/81/202195481.db2.gz XVFLEQCSUROQJM-UHFFFAOYSA-N 0 0 345.752 3.723 50 30 EHEARN C=C(C)CN(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000067675181 202222831 /nfs/dbraw/zinc/22/28/31/202222831.db2.gz SDHPRCAXMVPSIJ-UHFFFAOYSA-N 0 0 329.400 3.850 50 30 EHEARN COc1ccc(C(=O)/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000032646455 202230082 /nfs/dbraw/zinc/23/00/82/202230082.db2.gz GLLIVBOKDZAXTH-LCYFTJDESA-N 0 0 343.766 3.576 50 30 EHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1ccc(F)cc1)O2 ZINC000036065977 202313548 /nfs/dbraw/zinc/31/35/48/202313548.db2.gz UUKKSUVDLMBBQQ-WOJGMQOQSA-N 0 0 341.382 3.989 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC000072564987 202364681 /nfs/dbraw/zinc/36/46/81/202364681.db2.gz ZYEOFFSGUGAHQD-OAHLLOKOSA-N 0 0 337.423 3.591 50 30 EHEARN C[C@H](Sc1nc(N)c(C#N)cc1C#N)c1ncc(-c2ccccc2)o1 ZINC000078055922 202395098 /nfs/dbraw/zinc/39/50/98/202395098.db2.gz QUBFUIYZATVYFD-NSHDSACASA-N 0 0 347.403 3.915 50 30 EHEARN N#C[C@H](NC(=O)c1ccccc1Br)c1ccccc1F ZINC000079046828 202421232 /nfs/dbraw/zinc/42/12/32/202421232.db2.gz VSFKMYIGLZSFFO-AWEZNQCLSA-N 0 0 333.160 3.583 50 30 EHEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000005253492 201361528 /nfs/dbraw/zinc/36/15/28/201361528.db2.gz DSILGJDQPQVLKS-SXGWCWSVSA-N 0 0 327.311 3.502 50 30 EHEARN COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000009053654 201363301 /nfs/dbraw/zinc/36/33/01/201363301.db2.gz ACFLSXQZOCFJHF-PXNMLYILSA-N 0 0 344.750 3.508 50 30 EHEARN C#CCCOc1ccc(CNc2ccc3c(c2)NC(=O)CS3)cc1 ZINC000089261583 201370855 /nfs/dbraw/zinc/37/08/55/201370855.db2.gz PTFYJOONPQKZCP-UHFFFAOYSA-N 0 0 338.432 3.745 50 30 EHEARN CCOc1ccccc1Oc1coc2cc(OCC#N)ccc2c1=O ZINC000002427577 201358763 /nfs/dbraw/zinc/35/87/63/201358763.db2.gz UMFCBUVXJDMYME-UHFFFAOYSA-N 0 0 337.331 3.886 50 30 EHEARN C=CCOC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 ZINC000002552427 201359055 /nfs/dbraw/zinc/35/90/55/201359055.db2.gz JWYCQOKOWKUHDD-UHFFFAOYSA-N 0 0 336.343 3.568 50 30 EHEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O ZINC000000545237 201359098 /nfs/dbraw/zinc/35/90/98/201359098.db2.gz DMLSYBBJQZGMGW-VQIMKDEXSA-N 0 0 338.359 3.552 50 30 EHEARN N#Cc1c(Cl)nsc1NCCNc1ncc(Cl)cc1Cl ZINC000048560231 202607588 /nfs/dbraw/zinc/60/75/88/202607588.db2.gz KCDZEQKXALPCGC-UHFFFAOYSA-N 0 0 348.646 3.894 50 30 EHEARN CCN(CC)c1ccc(/C=C2\N=C(SC)SC2=O)c(OC)c1 ZINC000000312323 201460156 /nfs/dbraw/zinc/46/01/56/201460156.db2.gz FZKKGDSUZNMFDP-LCYFTJDESA-N 0 0 336.482 3.875 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(F)cc1 ZINC000000428093 201471887 /nfs/dbraw/zinc/47/18/87/201471887.db2.gz XECCUGFXZOZYLE-CRAIPNDOSA-N 0 0 328.339 3.738 50 30 EHEARN Cn1cc(/C=C2\S/C(=N\c3cccc(O)c3)NC2=O)c2ccccc21 ZINC000001260695 201500715 /nfs/dbraw/zinc/50/07/15/201500715.db2.gz HDTNBJSEGDTYSE-MFOYZWKCSA-N 0 0 349.415 3.776 50 30 EHEARN N#Cc1ccsc1NC(=O)COC(=O)c1ccc2ccccc2c1 ZINC000002622724 201537935 /nfs/dbraw/zinc/53/79/35/201537935.db2.gz QVAPXXNHEMGKOC-UHFFFAOYSA-N 0 0 336.372 3.568 50 30 aggregator EHEARN CNc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000021274743 212218451 /nfs/dbraw/zinc/21/84/51/212218451.db2.gz HZKIWPBVHFKTJB-VZUCSPMQSA-N 0 0 325.368 3.599 50 30 EHEARN Cc1cc(C(=N)NOC(=O)c2cccs2)c(-c2ccccc2)o1 ZINC000004390692 201599350 /nfs/dbraw/zinc/59/93/50/201599350.db2.gz XWGINZLDKOSTLX-UHFFFAOYSA-N 0 0 326.377 3.794 50 30 EHEARN CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000004436132 201600366 /nfs/dbraw/zinc/60/03/66/201600366.db2.gz MLYIPUOOOGXAST-INIZCTEOSA-N 0 0 340.452 3.721 50 30 EHEARN N#CCC[C@@H]1CCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004323721 201597090 /nfs/dbraw/zinc/59/70/90/201597090.db2.gz ZBCQVRVDADMPAF-ZDQRYUTBSA-N 0 0 331.332 3.765 50 30 EHEARN N#CC1(C#N)[C@@H](c2ccncc2)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004620357 201608557 /nfs/dbraw/zinc/60/85/57/201608557.db2.gz MIQBAPHESAOFNG-SNXNFCLHSA-N 0 0 331.419 3.614 50 30 EHEARN O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004916065 201627090 /nfs/dbraw/zinc/62/70/90/201627090.db2.gz JQUPOGNEFQBMFQ-OCCSQVGLSA-N 0 0 341.407 3.892 50 30 EHEARN C=CCN(CC=C)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000069351112 202905356 /nfs/dbraw/zinc/90/53/56/202905356.db2.gz XYQJTMJUAMDAIV-UHFFFAOYSA-N 0 0 334.419 3.777 50 30 EHEARN N#Cc1ccsc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000069459683 203004391 /nfs/dbraw/zinc/00/43/91/203004391.db2.gz HRCXDVRUHNPLLE-UHFFFAOYSA-N 0 0 349.337 3.696 50 30 EHEARN N#Cc1c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])sc2c1CCC2 ZINC000069610851 203027131 /nfs/dbraw/zinc/02/71/31/203027131.db2.gz QGZODHAJCGNKNL-CMDGGOBGSA-N 0 0 339.376 3.669 50 30 EHEARN N#CC1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000069702590 203038672 /nfs/dbraw/zinc/03/86/72/203038672.db2.gz LTUKWJIBCQXGPT-HXUWFJFHSA-N 0 0 333.435 3.916 50 30 EHEARN COc1ccc2[nH]cc(C3CCN(C[C@H](C#N)CCC#N)CC3)c2c1 ZINC000071825128 203121086 /nfs/dbraw/zinc/12/10/86/203121086.db2.gz OOSGFTCCLLYKDS-HNNXBMFYSA-N 0 0 336.439 3.799 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072164825 203177911 /nfs/dbraw/zinc/17/79/11/203177911.db2.gz ZUILVFFWSBJKCS-GOSISDBHSA-N 0 0 347.418 3.614 50 30 EHEARN Cc1cnc([C@H](NC(=O)CCc2ccc(C#N)cc2)C2CC2)s1 ZINC000072296828 203196944 /nfs/dbraw/zinc/19/69/44/203196944.db2.gz PJGDEUYJKSGNFB-QGZVFWFLSA-N 0 0 325.437 3.523 50 30 EHEARN N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)c1 ZINC000072329762 203200817 /nfs/dbraw/zinc/20/08/17/203200817.db2.gz JIABFQSSNBHAQX-UHFFFAOYSA-N 0 0 346.770 3.732 50 30 EHEARN C=CCn1c2ccccc2n(CCOc2ccccc2Cl)c1=N ZINC000019939874 212088287 /nfs/dbraw/zinc/08/82/87/212088287.db2.gz KYEDEPYRBJPIAO-UHFFFAOYSA-N 0 0 327.815 3.841 50 30 EHEARN CC[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2O1 ZINC000075839815 203323767 /nfs/dbraw/zinc/32/37/67/203323767.db2.gz IEWJQKXTKDACHX-MRXNPFEDSA-N 0 0 346.390 3.786 50 30 EHEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cccc(O)c1 ZINC000100164633 203991644 /nfs/dbraw/zinc/99/16/44/203991644.db2.gz CKVSGLZMMBSZER-SSDVNMTOSA-N 0 0 342.358 3.829 50 30 EHEARN COc1cccc(/C=N/c2cc(Cl)ccc2N2CCOCC2)c1O ZINC000102424696 204037889 /nfs/dbraw/zinc/03/78/89/204037889.db2.gz MUHZRBOTGNXXJQ-UDWIEESQSA-N 0 0 346.814 3.641 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102802153 204050499 /nfs/dbraw/zinc/05/04/99/204050499.db2.gz LBJONEPLHAELNI-IBOXJLQUSA-N 0 0 341.794 3.700 50 30 EHEARN C#CCNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000015534504 211829592 /nfs/dbraw/zinc/82/95/92/211829592.db2.gz CQCAYPPUFJTJLX-UHFFFAOYSA-N 0 0 335.794 3.556 50 30 EHEARN COc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000000136933 205410990 /nfs/dbraw/zinc/41/09/90/205410990.db2.gz BCMJEAHMFCHWIE-UHFFFAOYSA-N 0 0 335.388 3.943 50 30 EHEARN C#Cc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000012944864 211490880 /nfs/dbraw/zinc/49/08/80/211490880.db2.gz PDVFJAOBYGAIST-HXUWFJFHSA-N 0 0 330.387 3.571 50 30 EHEARN CC#CC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012754006 211444598 /nfs/dbraw/zinc/44/45/98/211444598.db2.gz JZZIRLSQKQRNJB-FQEVSTJZSA-N 0 0 331.415 3.798 50 30 EHEARN C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S ZINC000012363505 211355475 /nfs/dbraw/zinc/35/54/75/211355475.db2.gz IWCMJAANWGVXDI-YRNVUSSQSA-N 0 0 340.813 3.635 50 30 EHEARN OCC/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009644262 211110898 /nfs/dbraw/zinc/11/08/98/211110898.db2.gz IMXLBELSDHPQNK-NDENLUEZSA-N 0 0 325.799 3.604 50 30 EHEARN CN(CCC#N)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000278415888 257939844 /nfs/dbraw/zinc/93/98/44/257939844.db2.gz ZSUGQYJVIDYHHZ-LLVKDONJSA-N 0 0 337.704 3.638 50 30 EHEARN CC(=O)Nc1ccc([NH+]=C([O-])Nc2ccc(OC(F)F)nc2)cc1 ZINC000330032481 258002519 /nfs/dbraw/zinc/00/25/19/258002519.db2.gz NWSKJUOAVFBUAF-UHFFFAOYSA-N 0 0 336.298 3.949 50 30 EHEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000009419841 258003036 /nfs/dbraw/zinc/00/30/36/258003036.db2.gz ZIPRJJSTOYSKHZ-SXGWCWSVSA-N 0 0 344.388 3.695 50 30 EHEARN C=CCSc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 ZINC000002628355 258046967 /nfs/dbraw/zinc/04/69/67/258046967.db2.gz AQQCDBNKPGNABB-UHFFFAOYSA-N 0 0 343.836 3.790 50 30 EHEARN C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c1C ZINC000003451334 258047008 /nfs/dbraw/zinc/04/70/08/258047008.db2.gz XEKVRVCNQKHEPX-UHFFFAOYSA-N 0 0 346.814 3.566 50 30 EHEARN CCCN(CC#Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000067955767 258010856 /nfs/dbraw/zinc/01/08/56/258010856.db2.gz FLVSDVIBJSRPRS-UHFFFAOYSA-N 0 0 344.414 3.844 50 30 EHEARN C=C(C)COc1ccc(C(=O)N(CC)Cc2cnn(CC)c2)cc1 ZINC000055099574 258014542 /nfs/dbraw/zinc/01/45/42/258014542.db2.gz BBHPZDXOKNOVIK-UHFFFAOYSA-N 0 0 327.428 3.520 50 30 EHEARN C=CCN(Cc1ccccc1C)C(=O)Cc1cnc2c(C)cccn12 ZINC000055071853 258014546 /nfs/dbraw/zinc/01/45/46/258014546.db2.gz GXRTZAJFSLJLEF-UHFFFAOYSA-N 0 0 333.435 3.708 50 30 EHEARN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccccc1 ZINC000072313167 258015442 /nfs/dbraw/zinc/01/54/42/258015442.db2.gz UFDKBVFXGVNJTJ-UHFFFAOYSA-N 0 0 341.885 3.920 50 30 EHEARN C=CCN(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CCCCC1 ZINC000022318176 258016451 /nfs/dbraw/zinc/01/64/51/258016451.db2.gz RLWPCURCPDGKCD-QGZVFWFLSA-N 0 0 344.480 3.837 50 30 EHEARN C=CCc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(OC)c1OC ZINC000014018302 258017521 /nfs/dbraw/zinc/01/75/21/258017521.db2.gz ABYPSGNPZYZCCP-UHFFFAOYSA-N 0 0 344.436 3.630 50 30 EHEARN CCCN(CC1CC1)C(=O)c1cccc(-c2ccnc(OC)c2C#N)c1 ZINC000299772793 258084726 /nfs/dbraw/zinc/08/47/26/258084726.db2.gz AZQPEEVMODGRMY-UHFFFAOYSA-N 0 0 349.434 3.891 50 30 EHEARN CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OCC#N)cc2)cc1 ZINC000006083853 258051716 /nfs/dbraw/zinc/05/17/16/258051716.db2.gz PSHSUXOOHONHFL-CQSZACIVSA-N 0 0 337.375 3.580 50 30 EHEARN COC(=O)Nc1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000078797051 517999197 /nfs/dbraw/zinc/99/91/97/517999197.db2.gz JKSKJVGGABUEBH-UHFFFAOYSA-N 0 0 340.383 3.545 50 30 EHEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1cc2cccnc2nc1C ZINC000055402840 518783540 /nfs/dbraw/zinc/78/35/40/518783540.db2.gz GDRZCMNGNNUDQD-UHFFFAOYSA-N 0 0 347.418 3.775 50 30 EHEARN C=CCn1c(C(=O)NCCc2ccccn2)cc2sc(C)cc21 ZINC000037526489 519166189 /nfs/dbraw/zinc/16/61/89/519166189.db2.gz JHVBAVUOFLAFGB-UHFFFAOYSA-N 0 0 325.437 3.565 50 30 EHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccccc2C)C1=O ZINC000096919972 520537647 /nfs/dbraw/zinc/53/76/47/520537647.db2.gz MBPXMJUZDQNQNO-GHRIWEEISA-N 0 0 349.386 3.822 50 30 EHEARN CC1=C(Br)CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000253429958 520790761 /nfs/dbraw/zinc/79/07/61/520790761.db2.gz DNAGSFICSGFHBD-OAHLLOKOSA-N 0 0 347.256 3.975 50 30 EHEARN CCOC(=O)c1sc(N=NCc2c[nH]c3ccccc23)nc1C ZINC000003961731 521610607 /nfs/dbraw/zinc/61/06/07/521610607.db2.gz TXEVAFMZVNPKTA-GIJQJNRQSA-N 0 0 328.397 3.556 50 30 EHEARN COCc1ccc(C(=O)N(CC#Cc2ccccc2)C2CCCC2)o1 ZINC000055393557 522941846 /nfs/dbraw/zinc/94/18/46/522941846.db2.gz SSWOACYAFDQADF-UHFFFAOYSA-N 0 0 337.419 3.863 50 30 EHEARN CSC(=N)NN=Cc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000002168065 525286239 /nfs/dbraw/zinc/28/62/39/525286239.db2.gz QLPKUEQUESXWKA-PTXOJBNSSA-N 0 0 329.269 3.736 50 30 EHEARN Cc1ccc(OCC(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041556270 525397429 /nfs/dbraw/zinc/39/74/29/525397429.db2.gz FJSLCZRRIANZIX-CQSZACIVSA-N 0 0 334.297 3.664 50 30 EHEARN Cc1ccc(S(=O)(=O)OCCCCOCc2ccccc2)cc1 ZINC000003132224 525620918 /nfs/dbraw/zinc/62/09/18/525620918.db2.gz BRMUZNTZRATWRJ-UHFFFAOYSA-N 0 0 334.437 3.697 50 30 EHEARN Cc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)o1 ZINC000000534370 525959374 /nfs/dbraw/zinc/95/93/74/525959374.db2.gz UKAJFJGEWDWZMH-MFOYZWKCSA-N 0 0 342.347 3.535 50 30 EHEARN C[C@H](CC(=O)N(CC#Cc1ccccc1)C1CCCC1)n1cccn1 ZINC000055414288 526222322 /nfs/dbraw/zinc/22/23/22/526222322.db2.gz GQTYLXCOURFYQW-GOSISDBHSA-N 0 0 335.451 3.657 50 30 EHEARN N#CCCn1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)n1 ZINC000096500846 526467657 /nfs/dbraw/zinc/46/76/57/526467657.db2.gz FRGYIIUSHNXLQN-UHFFFAOYSA-N 0 0 341.415 3.757 50 30 EHEARN O/N=C(\NCCc1ccncc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000004306612 527588889 /nfs/dbraw/zinc/58/88/89/527588889.db2.gz LSXQGAZFTBNYFY-FQEVSTJZSA-N 0 0 349.409 3.973 50 30 EHEARN C[C@H](C(=O)N(CCC#N)Cc1cccnc1)c1ccc(Cl)s1 ZINC000175872179 564013234 /nfs/dbraw/zinc/01/32/34/564013234.db2.gz IQQGLWDCQHWYJV-LBPRGKRZSA-N 0 0 333.844 3.842 50 30 EHEARN O=[N+]([O-])c1ccc(F)c(/N=C/c2cc(Br)ccc2O)c1 ZINC000000095442 563223882 /nfs/dbraw/zinc/22/38/82/563223882.db2.gz LLDCWDPSYKJBPL-FRKPEAEDSA-N 0 0 339.120 3.953 50 30 EHEARN CC1(C)CC(=O)C=C(SCCS(=O)(=O)c2ccccc2)S1 ZINC000000126049 563236586 /nfs/dbraw/zinc/23/65/86/563236586.db2.gz GIWYXDBBPCRESV-UHFFFAOYSA-N 0 0 342.507 3.520 50 30 EHEARN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)[C@H](C#N)c1ccccn1 ZINC000071892403 563471104 /nfs/dbraw/zinc/47/11/04/563471104.db2.gz YPNDFZDFDGJNNM-UKRRQHHQSA-N 0 0 333.395 3.596 50 30 EHEARN COc1ccc2c(c1)OCC/C2=N/OC(=O)c1ccc(Cl)cc1 ZINC000003891494 563490583 /nfs/dbraw/zinc/49/05/83/563490583.db2.gz JYRXCTIYXLORQU-CYVLTUHYSA-N 0 0 331.755 3.692 50 30 EHEARN C=CCSc1nnc2n1CCCN2C(=O)Nc1cccc(Cl)c1 ZINC000004334677 563500398 /nfs/dbraw/zinc/50/03/98/563500398.db2.gz KUHLRWHHCPJFDJ-UHFFFAOYSA-N 0 0 349.847 3.652 50 30 EHEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000004520100 563504202 /nfs/dbraw/zinc/50/42/02/563504202.db2.gz TYPMBCQLQGNZAL-AUUYWEPGSA-N 0 0 346.390 3.595 50 30 EHEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000004520099 563504285 /nfs/dbraw/zinc/50/42/85/563504285.db2.gz TYPMBCQLQGNZAL-LIRRHRJNSA-N 0 0 346.390 3.595 50 30 EHEARN CN(C)C1=C(Nc2cccc(Cl)c2)C(=O)c2ccccc2C1=O ZINC000004725409 563509326 /nfs/dbraw/zinc/50/93/26/563509326.db2.gz RMUQNWUEFRNNTG-UHFFFAOYSA-N 0 0 326.783 3.604 50 30 EHEARN CC(/C=C/c1ccccc1)=N\N=C1\NC(=O)[C@H](Cc2ccccc2)S1 ZINC000005010025 563518525 /nfs/dbraw/zinc/51/85/25/563518525.db2.gz WQESMCJEFRIXEH-IHVCVROBSA-N 0 0 349.459 3.906 50 30 EHEARN Cc1ccc(NN=C2c3cc(Br)ccc3NC2=O)cc1C ZINC000005417215 563531957 /nfs/dbraw/zinc/53/19/57/563531957.db2.gz WJVYFPMJVICSPO-UHFFFAOYSA-N 0 0 344.212 3.834 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)c1 ZINC000005612608 563542895 /nfs/dbraw/zinc/54/28/95/563542895.db2.gz MUCKQDQOSAOZDV-GOSISDBHSA-N 0 0 339.435 3.772 50 30 EHEARN CC(C)CC(Nc1ccc(CO)cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000006417063 563567678 /nfs/dbraw/zinc/56/76/78/563567678.db2.gz GARPDGDSXTZYQQ-UHFFFAOYSA-N 0 0 329.440 3.849 50 30 EHEARN CCn1cnnc1[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000097379231 563615911 /nfs/dbraw/zinc/61/59/11/563615911.db2.gz DXUGAWVCOKDHBA-LBPRGKRZSA-N 0 0 349.360 3.572 50 30 EHEARN C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1ccco1)c1ccccc1O ZINC000013122828 563688976 /nfs/dbraw/zinc/68/89/76/563688976.db2.gz ZPWJWOWWNGHPGK-MEGCXXLRSA-N 0 0 347.374 3.976 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)cc1 ZINC000016741400 563822135 /nfs/dbraw/zinc/82/21/35/563822135.db2.gz ZSBYJBSFQZSAFF-INIZCTEOSA-N 0 0 339.416 3.821 50 30 EHEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(N2CCCC2)o1 ZINC000017167379 563839211 /nfs/dbraw/zinc/83/92/11/563839211.db2.gz RVHCHPMWZMYDHO-QINSGFPZSA-N 0 0 339.420 3.771 50 30 EHEARN CCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O ZINC000002996843 563918845 /nfs/dbraw/zinc/91/88/45/563918845.db2.gz NHUJZKSWLHWUDD-UHFFFAOYSA-N 0 0 337.419 3.826 50 30 EHEARN CN(CC#N)C(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000060294448 563922413 /nfs/dbraw/zinc/92/24/13/563922413.db2.gz INMNCTXPIZGHBG-HXUWFJFHSA-N 0 0 349.459 3.779 50 30 EHEARN CC(=NS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(O)cc1C ZINC000004618977 563932635 /nfs/dbraw/zinc/93/26/35/563932635.db2.gz PBMNBKYDOHKVEA-UHFFFAOYSA-N 0 0 338.816 3.573 50 30 EHEARN N#Cc1nc(-c2cccc(Cl)c2)oc1NCCCn1ccnc1 ZINC000013777565 563933201 /nfs/dbraw/zinc/93/32/01/563933201.db2.gz NDERNIHYMJUYBM-UHFFFAOYSA-N 0 0 327.775 3.565 50 30 EHEARN Cc1nn(C)cc1C(=O)/C=C/c1csc(COc2ccccc2)n1 ZINC000058266819 563941285 /nfs/dbraw/zinc/94/12/85/563941285.db2.gz UGJVSSKPCKCNBO-CMDGGOBGSA-N 0 0 339.420 3.660 50 30 EHEARN CCNC(=S)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000004702424 563965403 /nfs/dbraw/zinc/96/54/03/563965403.db2.gz CRZQBVIDWZVQCL-AWQFTUOYSA-N 0 0 341.358 3.783 50 30 EHEARN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1cccc(O)c1 ZINC000033348141 563974740 /nfs/dbraw/zinc/97/47/40/563974740.db2.gz HDFJPCZDSWSRSZ-NTEUORMPSA-N 0 0 330.796 3.937 50 30 EHEARN COc1ccc(C(=O)COc2ccccc2C#N)cc1Br ZINC000014124501 563983252 /nfs/dbraw/zinc/98/32/52/563983252.db2.gz CFBAMLADXDIWBF-UHFFFAOYSA-N 0 0 346.180 3.591 50 30 EHEARN COCCOc1ccc(C(=O)/C=C/c2ccccc2OCC#N)cc1 ZINC000044027673 563980795 /nfs/dbraw/zinc/98/07/95/563980795.db2.gz DRNWIVORSYHUIN-DHZHZOJOSA-N 0 0 337.375 3.510 50 30 EHEARN O=C(Cc1nc2ccccc2[nH]c1=O)c1cccc(Br)c1 ZINC000100057205 563982320 /nfs/dbraw/zinc/98/23/20/563982320.db2.gz YMXBYGHSGKVSQP-ZROIWOOFSA-N 0 0 343.180 3.580 50 30 EHEARN C/N=C1\S/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C(=O)N1C ZINC000100279693 563982489 /nfs/dbraw/zinc/98/24/89/563982489.db2.gz BMBIDNUPHAMPSL-OCFUMETKSA-N 0 0 345.855 3.971 50 30 EHEARN Cc1c(/N=C/c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000100290600 563982506 /nfs/dbraw/zinc/98/25/06/563982506.db2.gz XWIFJZBWNRFBES-UDWIEESQSA-N 0 0 325.799 3.888 50 30 EHEARN CSc1nc(C2CC2)cc(C(=O)N2CCc3ccccc32)c1C#N ZINC000014123814 563983250 /nfs/dbraw/zinc/98/32/50/563983250.db2.gz OJWKQIIMFPKBIV-UHFFFAOYSA-N 0 0 335.432 3.755 50 30 EHEARN CCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 ZINC000000147615 563987285 /nfs/dbraw/zinc/98/72/85/563987285.db2.gz MLIPRIAGYMUNAT-UDWIEESQSA-N 0 0 338.436 3.851 50 30 EHEARN Cc1cccc(NC(=O)C=NOC(=O)Nc2cccc(Cl)c2)c1 ZINC000000219985 563988665 /nfs/dbraw/zinc/98/86/65/563988665.db2.gz PJSPUJIIYFYGJM-VCHYOVAHSA-N 0 0 331.759 3.821 50 30 EHEARN CC(=O)c1cc(C#N)c(SCc2ccc([N+](=O)[O-])cc2)nc1C ZINC000000312183 563990953 /nfs/dbraw/zinc/99/09/53/563990953.db2.gz SKNPVPYUCZMRJG-UHFFFAOYSA-N 0 0 327.365 3.665 50 30 EHEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=S)/N=C/N(C)C ZINC000100256454 563991935 /nfs/dbraw/zinc/99/19/35/563991935.db2.gz VOBZLWZWFFWSRS-REZTVBANSA-N 0 0 325.796 3.708 50 30 EHEARN CCCCCCCC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000408518180 563992918 /nfs/dbraw/zinc/99/29/18/563992918.db2.gz WFNBTHQXVJTIHM-NSHDSACASA-N 0 0 328.254 3.777 50 30 EHEARN C=C[C@@](C)(CC)C(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000408520216 563993066 /nfs/dbraw/zinc/99/30/66/563993066.db2.gz VGKQXXPPKUVORC-HKUYNNGSSA-N 0 0 337.410 3.839 50 30 EHEARN N#Cc1cccc(C2(NC(=O)C[C@@H](c3ccc(O)cc3)C3CC3)CC2)c1 ZINC000408520973 563993164 /nfs/dbraw/zinc/99/31/64/563993164.db2.gz DFSWXWOAIJHBFB-HXUWFJFHSA-N 0 0 346.430 3.953 50 30 EHEARN COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC ZINC000005144834 563994645 /nfs/dbraw/zinc/99/46/45/563994645.db2.gz BFVYTGCWDYXKMT-UHFFFAOYSA-N 0 0 346.408 3.515 50 30 EHEARN N#Cc1c2c(sc1NC=C1C(=O)c3ccccc3C1=O)CCCC2 ZINC000100772906 563995285 /nfs/dbraw/zinc/99/52/85/563995285.db2.gz BYHPKJXQEVGEKJ-UFFVCSGVSA-N 0 0 334.400 3.896 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccco1 ZINC000000428052 563998840 /nfs/dbraw/zinc/99/88/40/563998840.db2.gz XNXIPYJNNJMEHL-QAPCUYQASA-N 0 0 328.339 3.738 50 30 EHEARN COCc1cc(C)nc(N=NCc2c(C)[nH]c3ccccc32)c1C#N ZINC000005587398 564006018 /nfs/dbraw/zinc/00/60/18/564006018.db2.gz IPIKXJDLBOJKGO-UFFVCSGVSA-N 0 0 333.395 3.644 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2ccc(F)cc2F)ccc1OCC#N ZINC000006834809 564006637 /nfs/dbraw/zinc/00/66/37/564006637.db2.gz INVKZBGPCNCVLI-XVNBXDOJSA-N 0 0 344.317 3.528 50 30 EHEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000018195723 564018671 /nfs/dbraw/zinc/01/86/71/564018671.db2.gz FMPROSXAPOHAOW-FQEVSTJZSA-N 0 0 342.402 3.967 50 30 EHEARN CCCCCCCC(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC000101219380 564019337 /nfs/dbraw/zinc/01/93/37/564019337.db2.gz VBIHLDWMYAHNPH-UHFFFAOYSA-N 0 0 345.487 3.687 50 30 EHEARN COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000102389292 564019977 /nfs/dbraw/zinc/01/99/77/564019977.db2.gz HCPVNVBBHRMJCI-CKEIUWERSA-N 0 0 340.423 3.581 50 30 EHEARN CC(C)[C@@H](NC=C1C(=O)CC(C)(C)CC1=O)c1nc2ccccc2[nH]1 ZINC000103840911 564023195 /nfs/dbraw/zinc/02/31/95/564023195.db2.gz IIPXVBWALFASFD-GOSISDBHSA-N 0 0 339.439 3.692 50 30 EHEARN CCc1nc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)sc1C ZINC000044702133 564027095 /nfs/dbraw/zinc/02/70/95/564027095.db2.gz ODGYVPZOWRUMLC-UHFFFAOYSA-N 0 0 340.408 3.830 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000048250904 564030420 /nfs/dbraw/zinc/03/04/20/564030420.db2.gz UNTBGXQJNDHTBO-AWEZNQCLSA-N 0 0 333.844 3.618 50 30 EHEARN C=CCn1c(SCc2nccn2C(C)C)nnc1-c1ccccn1 ZINC000159636776 564053721 /nfs/dbraw/zinc/05/37/21/564053721.db2.gz BTYIKHZDWFCBDF-UHFFFAOYSA-N 0 0 340.456 3.596 50 30 EHEARN CC(C)(C)C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2 ZINC000005864012 564056740 /nfs/dbraw/zinc/05/67/40/564056740.db2.gz WHSFSSDIGJMTSM-UHFFFAOYSA-N 0 0 335.498 3.748 50 30 EHEARN CCCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N ZINC000006040042 564057777 /nfs/dbraw/zinc/05/77/77/564057777.db2.gz OQYNQRCWEOWRMZ-UHFFFAOYSA-N 0 0 335.473 3.929 50 30 EHEARN COc1ccc(C(=O)CSc2nc(C)cc(C)c2C#N)c(OC)c1 ZINC000000495276 564060721 /nfs/dbraw/zinc/06/07/21/564060721.db2.gz UFTSXMDPVIFNRP-UHFFFAOYSA-N 0 0 342.420 3.562 50 30 EHEARN Cc1noc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000052798053 564060938 /nfs/dbraw/zinc/06/09/38/564060938.db2.gz NACRLGQAYPPENR-UHFFFAOYSA-N 0 0 336.370 3.591 50 30 EHEARN CC(C)N(c1nnc(/N=C/c2ccc(N(C)C)cc2)s1)C(C)C ZINC000004048225 564061676 /nfs/dbraw/zinc/06/16/76/564061676.db2.gz NHFPMXGFNZTYDO-WOJGMQOQSA-N 0 0 331.489 3.978 50 30 EHEARN Cc1cccc(OCc2nnc(SCC#N)n2-c2ccccc2)c1 ZINC000004124924 564063237 /nfs/dbraw/zinc/06/32/37/564063237.db2.gz GBOGDEIKJWUAOJ-UHFFFAOYSA-N 0 0 336.420 3.770 50 30 EHEARN O=C1c2ccccc2C2=NC(=S)N[C@@H](c3cccc4ccccc43)C12 ZINC000001386592 564064235 /nfs/dbraw/zinc/06/42/35/564064235.db2.gz VBTXSLLTQCWGKC-SFHVURJKSA-N 0 0 342.423 3.966 50 30 EHEARN C=CCc1cccc2cc(C(=O)Nc3ccc(C(C)=O)cc3)c(=O)oc21 ZINC000000434629 564074555 /nfs/dbraw/zinc/07/45/55/564074555.db2.gz POGYCISRBDSRHM-UHFFFAOYSA-N 0 0 347.370 3.976 50 30 EHEARN Cc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CCCC2 ZINC000015834490 564076158 /nfs/dbraw/zinc/07/61/58/564076158.db2.gz IUPRESJRFWYMTR-UHFFFAOYSA-N 0 0 337.448 3.871 50 30 EHEARN CCCCCCCCCCCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000028539131 564079197 /nfs/dbraw/zinc/07/91/97/564079197.db2.gz PDQICKRFOKDJCH-INIZCTEOSA-N 0 0 328.497 3.606 50 30 in-vitro EHEARN C=CCNC(=O)c1cccnc1-c1ccc(OC)c2nc(C)ccc12 ZINC000032587130 564079346 /nfs/dbraw/zinc/07/93/46/564079346.db2.gz UMOFLAIZGIZSKM-UHFFFAOYSA-N 0 0 333.391 3.530 50 30 EHEARN C[C@H](Sc1cc(C#N)ccn1)c1nc(Cc2ccc(F)cc2)no1 ZINC000088499597 564079475 /nfs/dbraw/zinc/07/94/75/564079475.db2.gz HIRUFZHOIZMSFT-NSHDSACASA-N 0 0 340.383 3.919 50 30 EHEARN N=C(NOC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl ZINC000006222205 564083067 /nfs/dbraw/zinc/08/30/67/564083067.db2.gz KMHYNVUNKCEHFC-UHFFFAOYSA-N 0 0 332.831 3.720 50 30 EHEARN CN1c2ccc(Cl)cc2C(=NN=c2ccc3ccccc3[nH]2)C1=O ZINC000006257255 564083279 /nfs/dbraw/zinc/08/32/79/564083279.db2.gz MGGIGRNITVHUEF-XLNRJJMWSA-N 0 0 336.782 3.681 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1c(F)cccc1Cl ZINC000006466773 564089403 /nfs/dbraw/zinc/08/94/03/564089403.db2.gz AFVRGZUYTJNEST-LLVKDONJSA-N 0 0 333.746 3.861 50 30 EHEARN CCOC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)c(C#N)c1C ZINC000001965162 564090345 /nfs/dbraw/zinc/09/03/45/564090345.db2.gz AZESZNWASXDUDF-UHFFFAOYSA-N 0 0 342.420 3.974 50 30 EHEARN COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)NC(=O)[C@H]2C#N)cc1 ZINC000006732598 564096637 /nfs/dbraw/zinc/09/66/37/564096637.db2.gz HDJNAOOUCODKIU-IRXDYDNUSA-N 0 0 338.794 3.743 50 30 EHEARN N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000007112591 564104981 /nfs/dbraw/zinc/10/49/81/564104981.db2.gz IEANRQXBQXNAIJ-IBGZPJMESA-N 0 0 329.359 3.918 50 30 EHEARN Cc1csc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000007195917 564105718 /nfs/dbraw/zinc/10/57/18/564105718.db2.gz GPOWQPPHIYRAED-CYBMUJFWSA-N 0 0 331.466 3.879 50 30 EHEARN C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1c(F)cccc1Cl ZINC000007266641 564106151 /nfs/dbraw/zinc/10/61/51/564106151.db2.gz NQGUGVBFTUHBQF-GFCCVEGCSA-N 0 0 345.805 3.810 50 30 EHEARN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccc(Cl)cc1 ZINC000007266150 564106158 /nfs/dbraw/zinc/10/61/58/564106158.db2.gz HMJOVWXIBHNMIV-ZDUSSCGKSA-N 0 0 327.815 3.671 50 30 EHEARN C=CCCC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606026 564109570 /nfs/dbraw/zinc/10/95/70/564109570.db2.gz IQRODVAXWNEFHJ-LLVKDONJSA-N 0 0 348.244 3.983 50 30 EHEARN N#Cc1ccc(COC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000007542010 564110225 /nfs/dbraw/zinc/11/02/25/564110225.db2.gz ZCDGXOPMDVXYMB-HNNXBMFYSA-N 0 0 327.767 3.506 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000254765133 564118560 /nfs/dbraw/zinc/11/85/60/564118560.db2.gz WKAVAGKRWFGIEA-INWOFZLFSA-N 0 0 328.452 3.903 50 30 EHEARN N#Cc1c(NC(=O)[C@@H]2CCCOC2)sc2c1-c1ccccc1CC2 ZINC000170794927 564122977 /nfs/dbraw/zinc/12/29/77/564122977.db2.gz DJACBWVZCFBIEE-CYBMUJFWSA-N 0 0 338.432 3.750 50 30 EHEARN COc1cccc(C=Nc2cccc(NC(=O)c3ccco3)c2)c1O ZINC000252629706 564123514 /nfs/dbraw/zinc/12/35/14/564123514.db2.gz ULYBSHDYYLMSRJ-UHFFFAOYSA-N 0 0 336.347 3.997 50 30 EHEARN Cc1nc(-c2ccc(CNC(=O)c3cccc(C#N)c3)s2)cs1 ZINC000007821014 564124018 /nfs/dbraw/zinc/12/40/18/564124018.db2.gz MZSINEHDQGIHTI-UHFFFAOYSA-N 0 0 339.445 3.982 50 30 EHEARN CC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000002344405 564132400 /nfs/dbraw/zinc/13/24/00/564132400.db2.gz LGERHHYECJMWLG-KUFCMUKVSA-N 0 0 343.477 3.992 50 30 EHEARN Cc1cccc(-c2cc(-c3ccccc3OCCO)c(C#N)c(N)n2)c1 ZINC000067654581 564134881 /nfs/dbraw/zinc/13/48/81/564134881.db2.gz PRUXLTXODNKRNE-UHFFFAOYSA-N 0 0 345.402 3.549 50 30 EHEARN CO[C@@H](C)CCNC(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 ZINC000426424440 564135037 /nfs/dbraw/zinc/13/50/37/564135037.db2.gz ZONDFWUIDZXCSS-ZDUSSCGKSA-N 0 0 326.371 3.519 50 30 EHEARN Cc1nc(C2CC2)nc(S[C@@H](C)C(=O)Nc2ccccc2)c1C#N ZINC000012971499 564135726 /nfs/dbraw/zinc/13/57/26/564135726.db2.gz YVEFSQRWIMEBEQ-LBPRGKRZSA-N 0 0 338.436 3.653 50 30 EHEARN C[C@@H](Nc1ccccc1NC(=O)[C@H]1CN(C)CCO1)c1ccccc1 ZINC000328589849 564136678 /nfs/dbraw/zinc/13/66/78/564136678.db2.gz KKYZKRXOSJGTCV-DNVCBOLYSA-N 0 0 339.439 3.778 50 30 EHEARN O=C(COc1ccccc1)NCC[C@H]1C(=O)Nc2ccc(F)cc21 ZINC000328590021 564136699 /nfs/dbraw/zinc/13/66/99/564136699.db2.gz WCTYDURCMLNCFK-CQSZACIVSA-N 0 0 328.343 3.937 50 30 EHEARN CC(C)[C@@H]1C[C@H](CC(=O)NCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000328593336 564136787 /nfs/dbraw/zinc/13/67/87/564136787.db2.gz YSQHQGPHXDBQSY-CJNGLKHVSA-N 0 0 336.407 3.562 50 30 EHEARN CCc1ccc(OCC(=O)Nc2cccc(C3OCCO3)c2)cc1 ZINC000328594572 564136814 /nfs/dbraw/zinc/13/68/14/564136814.db2.gz VDCFBIRRFHKYJM-UHFFFAOYSA-N 0 0 327.380 3.961 50 30 EHEARN N#C[C@@H](NC(=O)c1ccccc1Br)c1ccccc1F ZINC000079046816 564137733 /nfs/dbraw/zinc/13/77/33/564137733.db2.gz VSFKMYIGLZSFFO-CQSZACIVSA-N 0 0 333.160 3.583 50 30 EHEARN C[C@@H](S[C@@H](C(N)=O)c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000079358896 564138139 /nfs/dbraw/zinc/13/81/39/564138139.db2.gz AIHYCZCJNHCKDB-QLJPJBMISA-N 0 0 332.375 3.857 50 30 EHEARN Cc1ccc(-c2ccnn2C)cc1NC(=O)NCc1cccc(C#N)c1 ZINC000390835044 564138977 /nfs/dbraw/zinc/13/89/77/564138977.db2.gz BQEYORYNSKDYDG-UHFFFAOYSA-N 0 0 345.406 3.589 50 30 EHEARN Cc1ccc(C#N)c(N2CCC[C@H](c3nccn3CC3CCC3)C2)n1 ZINC000095357506 564139218 /nfs/dbraw/zinc/13/92/18/564139218.db2.gz FYCBFOCNGJCMPW-SFHVURJKSA-N 0 0 335.455 3.642 50 30 EHEARN C=CCC[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCOC ZINC000095460194 564140743 /nfs/dbraw/zinc/14/07/43/564140743.db2.gz VHUTUUWEARYNRZ-CQSZACIVSA-N 0 0 332.469 3.880 50 30 EHEARN CCN(C(C)=O)c1nc(/C=C2/CSc3ccccc3C2=O)cs1 ZINC000096400610 564147030 /nfs/dbraw/zinc/14/70/30/564147030.db2.gz TXTDRFIQJNGPGS-WQLSENKSSA-N 0 0 344.461 3.888 50 30 EHEARN CCO[C@H](C)c1nc(Cc2noc(-c3cccc(C#N)c3)n2)cs1 ZINC000225597536 564149869 /nfs/dbraw/zinc/14/98/69/564149869.db2.gz JUUWCPIXRJYSRF-LLVKDONJSA-N 0 0 340.408 3.753 50 30 EHEARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000002625371 564151309 /nfs/dbraw/zinc/15/13/09/564151309.db2.gz JYCYMLZTJJLYNG-GFCCVEGCSA-N 0 0 325.799 3.601 50 30 EHEARN CCCOc1ccc(-c2nc(C#N)c(NC[C@@H]3CCCO3)o2)cc1 ZINC000002865649 564152857 /nfs/dbraw/zinc/15/28/57/564152857.db2.gz SEPOOAOQCRJJKS-HNNXBMFYSA-N 0 0 327.384 3.593 50 30 EHEARN CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000003239076 564156456 /nfs/dbraw/zinc/15/64/56/564156456.db2.gz UYLZYGNAAAEGCU-UHFFFAOYSA-N 0 0 342.439 3.892 50 30 EHEARN CC(=O)c1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc32)cc1 ZINC000003479596 564158377 /nfs/dbraw/zinc/15/83/77/564158377.db2.gz HWSUCARGUVLSSC-UHFFFAOYSA-N 0 0 349.390 3.816 50 30 EHEARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C#N)cc1 ZINC000004135302 564160827 /nfs/dbraw/zinc/16/08/27/564160827.db2.gz QXFVNGHBHKEARR-UHFFFAOYSA-N 0 0 334.331 3.733 50 30 EHEARN COc1ccccc1OCc1nc(C#N)c(N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000004223245 564161160 /nfs/dbraw/zinc/16/11/60/564161160.db2.gz QPCSCAJEOYYXQH-ZIAGYGMSSA-N 0 0 341.411 3.616 50 30 EHEARN C[C@@H](Oc1cccc2c1OC(C)(C)C2)C(=O)NC1(C#N)CCCCC1 ZINC000008150702 564163201 /nfs/dbraw/zinc/16/32/01/564163201.db2.gz YAKIQXUKEBWIDW-CQSZACIVSA-N 0 0 342.439 3.510 50 30 EHEARN C=C(C)COc1cccc(NC(=O)c2cnc3ccccc3c2O)c1 ZINC000066727151 564163901 /nfs/dbraw/zinc/16/39/01/564163901.db2.gz IJGUPLSAJMKLBI-UHFFFAOYSA-N 0 0 334.375 3.735 50 30 EHEARN Cc1cnc(-c2cccc(NC(=O)COc3ccccc3C#N)c2)o1 ZINC000066812386 564164178 /nfs/dbraw/zinc/16/41/78/564164178.db2.gz IZRLLXMANBJIHQ-UHFFFAOYSA-N 0 0 333.347 3.539 50 30 EHEARN Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)C=Cc1ccc(F)cc1 ZINC000066866347 564164521 /nfs/dbraw/zinc/16/45/21/564164521.db2.gz FHEZQIKKLKEPII-QJWNTBNXSA-N 0 0 346.365 3.511 50 30 EHEARN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000038674626 564165447 /nfs/dbraw/zinc/16/54/47/564165447.db2.gz RIKVNXRNJHFVKJ-UHFFFAOYSA-N 0 0 333.273 3.522 50 30 EHEARN COc1ccc(-c2c(C#N)c3nc4ccccc4n3c(O)c2C#N)cc1 ZINC000038818821 564165858 /nfs/dbraw/zinc/16/58/58/564165858.db2.gz IEDDLQYQIWCYCK-UHFFFAOYSA-N 0 0 340.342 3.612 50 30 EHEARN N#C[C@@H](NC(=O)c1ccc(NC=O)cc1)c1cccc(Cl)c1Cl ZINC000172797182 564167751 /nfs/dbraw/zinc/16/77/51/564167751.db2.gz FTQIIUCXBMJBQK-CQSZACIVSA-N 0 0 348.189 3.556 50 30 EHEARN N#CC1(NC(=O)CNc2cccc3c2CCCC3)CCCCCC1 ZINC000040050352 564167841 /nfs/dbraw/zinc/16/78/41/564167841.db2.gz BQLPOKGAAMZLBQ-UHFFFAOYSA-N 0 0 325.456 3.710 50 30 EHEARN COc1cccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000069349178 564168850 /nfs/dbraw/zinc/16/88/50/564168850.db2.gz VVTQBXJFNHMPSW-BJMVGYQFSA-N 0 0 337.419 3.552 50 30 EHEARN CCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccncc1 ZINC000069349381 564168851 /nfs/dbraw/zinc/16/88/51/564168851.db2.gz AWAAIMXEBHORTA-QGZVFWFLSA-N 0 0 349.463 3.895 50 30 EHEARN C=CCN(CC=C)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000069440914 564169511 /nfs/dbraw/zinc/16/95/11/564169511.db2.gz NORBZRLDJARNTP-UHFFFAOYSA-N 0 0 342.830 3.612 50 30 EHEARN O=C(/C=C/c1cc(F)ccc1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000069532140 564170288 /nfs/dbraw/zinc/17/02/88/564170288.db2.gz BECITVUEIXFSCC-FPYGCLRLSA-N 0 0 343.373 3.822 50 30 EHEARN Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000009457706 564173765 /nfs/dbraw/zinc/17/37/65/564173765.db2.gz NQJIBNWJLZFQFB-CYBMUJFWSA-N 0 0 348.358 3.797 50 30 EHEARN COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1C ZINC000041554079 564174081 /nfs/dbraw/zinc/17/40/81/564174081.db2.gz BHJBMQIQOIESOF-CYBMUJFWSA-N 0 0 334.297 3.908 50 30 EHEARN CC(C)c1cccc2c1OC/C(=C/c1ccc3c(c1)NC(=O)CO3)C2=O ZINC000588615373 1033280986 /nfs/dbraw/zinc/28/09/86/1033280986.db2.gz CCKRJTPDEQXQOU-ZSOIEALJSA-N 0 0 349.386 3.800 50 30 EHEARN C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000002894563 1026878681 /nfs/dbraw/zinc/87/86/81/1026878681.db2.gz GURDOEIRRAAHBJ-MSOLQXFVSA-N 0 0 334.419 3.663 50 30 EHEARN Cc1noc(C2CC2)c1NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599779036 1030394236 /nfs/dbraw/zinc/39/42/36/1030394236.db2.gz OMNSBMUZTMRWHR-UHFFFAOYSA-N 0 0 336.395 3.517 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@](C)(C#N)C(C)C ZINC000084016943 1031320211 /nfs/dbraw/zinc/32/02/11/1031320211.db2.gz ICHBNRNGRVSFGF-YVNCXZRQSA-N 0 0 336.439 3.557 50 30 EHEARN Cc1sc2ncn(N=Cc3ccccn3)c(=O)c2c1-c1ccccc1 ZINC000252641318 1125629079 /nfs/dbraw/zinc/62/90/79/1125629079.db2.gz ZBRUKOSYKWUZDX-UHFFFAOYSA-N 0 0 346.415 3.711 50 30 EHEARN Cc1cc(C#N)nc(N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000367174878 1123383927 /nfs/dbraw/zinc/38/39/27/1123383927.db2.gz TVVYAVCHBKQIIM-UHFFFAOYSA-N 0 0 335.436 3.650 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC[C@@H]2Cc2ccccc2OC)N=N1 ZINC000952879256 1137483280 /nfs/dbraw/zinc/48/32/80/1137483280.db2.gz CJJFFGGMGRHXDA-QGZVFWFLSA-N 0 0 339.439 3.584 50 30 EHEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC[C@@H]1c1cccnc1 ZINC000952972194 1137484236 /nfs/dbraw/zinc/48/42/36/1137484236.db2.gz OJLKFMGGCMLYAH-HXUWFJFHSA-N 0 0 346.430 3.952 50 30 EHEARN CCOC(=O)C(CC(=O)c1ccc(Cl)cc1)=Nc1cccc(O)c1 ZINC000102229512 1137605538 /nfs/dbraw/zinc/60/55/38/1137605538.db2.gz YTAODADZRNMASR-WJDWOHSUSA-N 0 0 345.782 3.787 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O[C@@H](C)C#N)cc1)CO2 ZINC000103250516 1139158903 /nfs/dbraw/zinc/15/89/03/1139158903.db2.gz IBHVZEQIPSFPBG-GRRFOWRYSA-N 0 0 335.359 3.645 50 30 EHEARN CCC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3F)o2)S1 ZINC000004577465 210225087 /nfs/dbraw/zinc/22/50/87/210225087.db2.gz CZGSUYCJYZTZPH-NTEUORMPSA-N 0 0 344.367 3.582 50 30 EHEARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)c2nccs2)cc1 ZINC000004530567 210215505 /nfs/dbraw/zinc/21/55/05/210215505.db2.gz MHSUAUSHHOPVGX-RVDMUPIBSA-N 0 0 338.388 3.698 50 30 EHEARN N#Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)cc1 ZINC000103504610 219309058 /nfs/dbraw/zinc/30/90/58/219309058.db2.gz XYGVLPYMMGWWCG-GOSISDBHSA-N 0 0 339.354 3.673 50 30 EHEARN CSc1nc(N)c(C#N)c(-c2ccc(Br)cc2)c1C#N ZINC000019595463 202014859 /nfs/dbraw/zinc/01/48/59/202014859.db2.gz JUEHCRHGPPUJNG-UHFFFAOYSA-N 0 0 345.225 3.559 50 30 EHEARN COc1cccc(/C=C2\CN(C)C/C(=C\c3cccc(OC)c3)C2=O)c1 ZINC000020115290 202033303 /nfs/dbraw/zinc/03/33/03/202033303.db2.gz UNBGFRDJQOWCBH-XOBNHNQQSA-N 0 0 349.430 3.685 50 30 EHEARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3cccc(C#N)c3)c1CO2 ZINC000020509926 202046935 /nfs/dbraw/zinc/04/69/35/202046935.db2.gz CDGRKAZWHCALHR-UHFFFAOYSA-N 0 0 331.331 3.666 50 30 EHEARN Cc1c2c(nc(SCC(=O)N(C)c3ccccc3)c1C#N)CCC2 ZINC000022120342 202080124 /nfs/dbraw/zinc/08/01/24/202080124.db2.gz CRHYZHDMEAZKTK-UHFFFAOYSA-N 0 0 337.448 3.506 50 30 EHEARN Cc1cnc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000022414925 202084227 /nfs/dbraw/zinc/08/42/27/202084227.db2.gz IFHVUEDMWWNMPL-UHFFFAOYSA-N 0 0 329.359 3.681 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1 ZINC000026254478 202139912 /nfs/dbraw/zinc/13/99/12/202139912.db2.gz FSXMBYWERWNWPT-UHFFFAOYSA-N 0 0 329.359 3.785 50 30 EHEARN COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc32)cc1 ZINC000029210891 202183127 /nfs/dbraw/zinc/18/31/27/202183127.db2.gz VHNVRERKKIDWCN-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN Cc1nc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1C#N ZINC000031875387 202212104 /nfs/dbraw/zinc/21/21/04/202212104.db2.gz FVQDLSHRTNRQMT-UHFFFAOYSA-N 0 0 338.367 3.777 50 30 EHEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 ZINC000000467977 209619429 /nfs/dbraw/zinc/61/94/29/209619429.db2.gz QGTLKTCUOZZBDR-UHFFFAOYSA-N 0 0 348.859 3.726 50 30 EHEARN CC1(C)Cc2c(cc(C#N)c(=O)n2-c2ccccc2Cl)C(=O)C1 ZINC000032955170 202245262 /nfs/dbraw/zinc/24/52/62/202245262.db2.gz MKKPYYYNFGCFFA-UHFFFAOYSA-N 0 0 326.783 3.518 50 30 EHEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C/c1ccc(F)cc1 ZINC000037857687 202372044 /nfs/dbraw/zinc/37/20/44/202372044.db2.gz ZMVQLRRUZYNRSH-WOJGMQOQSA-N 0 0 339.366 3.743 50 30 EHEARN N#Cc1c(NC(=O)c2coc(Br)c2)sc2c1CCC2 ZINC000074363432 202372924 /nfs/dbraw/zinc/37/29/24/202372924.db2.gz AEIBFAJIMFOWRB-UHFFFAOYSA-N 0 0 337.198 3.716 50 30 EHEARN CC(C)(C#N)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000040070919 202421303 /nfs/dbraw/zinc/42/13/03/202421303.db2.gz KCYGYHAPRFNJAQ-UHFFFAOYSA-N 0 0 349.350 3.525 50 30 EHEARN C=CCCC(=O)N1CC(C)CN(C(=O)CCC=C)c2ccccc21 ZINC000084715209 201369130 /nfs/dbraw/zinc/36/91/30/201369130.db2.gz UBTRGYFVQWIZEK-UHFFFAOYSA-N 0 0 326.440 3.935 50 30 EHEARN C=CCNC(=O)Nc1ccc(NCc2c(C)nn(CCC)c2C)cc1 ZINC000089960641 201370744 /nfs/dbraw/zinc/37/07/44/201370744.db2.gz LIJOFHLDXADLJH-UHFFFAOYSA-N 0 0 341.459 3.830 50 30 EHEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Cl)O2 ZINC000020624514 201371153 /nfs/dbraw/zinc/37/11/53/201371153.db2.gz BEEAGCHBSYGDEG-SXGWCWSVSA-N 0 0 329.783 3.723 50 30 EHEARN C=C(C)COc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1 ZINC000000489240 201357447 /nfs/dbraw/zinc/35/74/47/201357447.db2.gz WSFGUGWPDSYPTC-UHFFFAOYSA-N 0 0 330.380 3.552 50 30 biogenic EHEARN COc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c([O-])c1 ZINC000004028429 201359814 /nfs/dbraw/zinc/35/98/14/201359814.db2.gz ALYKIIZTHJRFPD-GORDUTHDSA-N 0 0 346.766 3.817 50 30 biogenic EHEARN N#Cc1c(Cl)nsc1N1CCC([C@H](O)c2ccccc2)CC1 ZINC000048250907 202595405 /nfs/dbraw/zinc/59/54/05/202595405.db2.gz UNTBGXQJNDHTBO-CQSZACIVSA-N 0 0 333.844 3.618 50 30 EHEARN COc1ccc(COc2ccccc2C#N)c(Br)c1OC ZINC000048374484 202604716 /nfs/dbraw/zinc/60/47/16/202604716.db2.gz ZYSZYNZRNPABSQ-UHFFFAOYSA-N 0 0 348.196 3.917 50 30 EHEARN Cc1nc(C(=O)N(Cc2ccsc2)c2cccnc2)ccc1C#N ZINC000193505881 240193655 /nfs/dbraw/zinc/19/36/55/240193655.db2.gz YIJSVYBCAUYNBR-UHFFFAOYSA-N 0 0 334.404 3.565 50 30 EHEARN COc1ccc(OCc2nc(C#N)c(NCCc3ccccc3)o2)cc1 ZINC000000200347 201447277 /nfs/dbraw/zinc/44/72/77/201447277.db2.gz LGQYMNWICPCEBE-UHFFFAOYSA-N 0 0 349.390 3.788 50 30 EHEARN O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000000208793 201448069 /nfs/dbraw/zinc/44/80/69/201448069.db2.gz RAYNBWCXEMCKJN-UZYVYHOESA-N 0 0 347.330 3.599 50 30 EHEARN COC(=O)CSc1nc2c(c([C@H]3CC=CCC3)c1C#N)CCC2 ZINC000000240138 201453183 /nfs/dbraw/zinc/45/31/83/201453183.db2.gz KEFNCPLKMPVCML-LBPRGKRZSA-N 0 0 328.437 3.531 50 30 EHEARN Cc1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)s1 ZINC000069896064 203060535 /nfs/dbraw/zinc/06/05/35/203060535.db2.gz VYOOVBLGBPVMRK-CMDGGOBGSA-N 0 0 327.449 3.914 50 30 EHEARN CC[C@@H](C)N(Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000071856396 203130784 /nfs/dbraw/zinc/13/07/84/203130784.db2.gz BKQVSQMSWMLNKL-OAHLLOKOSA-N 0 0 346.434 3.595 50 30 EHEARN CC(C)(C)[S@](=O)N=C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000072194337 203183624 /nfs/dbraw/zinc/18/36/24/203183624.db2.gz QUHHZMADJVANJL-XMMPIXPASA-N 0 0 340.492 3.995 50 30 EHEARN C=CCN(CC=C)C(=O)N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000069776581 203323248 /nfs/dbraw/zinc/32/32/48/203323248.db2.gz ZLLKPDIPYNIPFR-GOSISDBHSA-N 0 0 325.387 3.694 50 30 EHEARN CN(Cc1cc(-c2ccncc2)no1)c1nc2c(cc1C#N)CCCC2 ZINC000077420657 203387262 /nfs/dbraw/zinc/38/72/62/203387262.db2.gz VZTCPFCJNRWBLH-UHFFFAOYSA-N 0 0 345.406 3.518 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1OCC(F)F ZINC000089361052 203575150 /nfs/dbraw/zinc/57/51/50/203575150.db2.gz HYXXHIZDHWQPBN-UHFFFAOYSA-N 0 0 345.349 3.866 50 30 EHEARN O=C(Cn1ccc2c1cccc2Cl)Nc1n[nH]c([C@H]2CCCO2)n1 ZINC000095474190 203749481 /nfs/dbraw/zinc/74/94/81/203749481.db2.gz FCKXUQUQEALLJV-CYBMUJFWSA-N 0 0 345.790 3.553 50 30 EHEARN N#Cc1ccc(C(F)(F)F)c(NCc2nnc3n2CCCCC3)c1 ZINC000097163528 203930835 /nfs/dbraw/zinc/93/08/35/203930835.db2.gz OYSQKRUTEIUZFW-UHFFFAOYSA-N 0 0 335.333 3.507 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000044600756 204302718 /nfs/dbraw/zinc/30/27/18/204302718.db2.gz JMFTWUPKWCNHFJ-UHFFFAOYSA-N 0 0 327.767 3.857 50 30 EHEARN C=CCN(Cc1cc(OC)ccc1OC)C(=O)Nc1ccccc1 ZINC000000377085 205442425 /nfs/dbraw/zinc/44/24/25/205442425.db2.gz AWCOYFNBBDPISW-UHFFFAOYSA-N 0 0 326.396 3.924 50 30 EHEARN N#CC(=NNc1ccc(Cl)c(Cl)c1)C(=O)N1CCCCCC1 ZINC000000523331 205481401 /nfs/dbraw/zinc/48/14/01/205481401.db2.gz HUBJSEPOZKSCSI-XSFVSMFZSA-N 0 0 339.226 3.687 50 30 EHEARN CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)c(C#N)c1C ZINC000001965034 205603588 /nfs/dbraw/zinc/60/35/88/205603588.db2.gz VDFQKFXFORMQMS-UHFFFAOYSA-N 0 0 328.393 3.666 50 30 EHEARN CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000159200081 206231747 /nfs/dbraw/zinc/23/17/47/206231747.db2.gz UPZBAPZNGIMIRK-UHFFFAOYSA-N 0 0 348.309 3.553 50 30 EHEARN C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000101084858 206268490 /nfs/dbraw/zinc/26/84/90/206268490.db2.gz SBPOWAVDBDEKSZ-LPHOPBHVSA-N 0 0 340.448 3.624 50 30 EHEARN CC#CC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012754001 211445926 /nfs/dbraw/zinc/44/59/26/211445926.db2.gz JZZIRLSQKQRNJB-HXUWFJFHSA-N 0 0 331.415 3.798 50 30 EHEARN C=CCC(=O)N1CCC[C@](CCCc2ccccc2)(C(=O)OCC)C1 ZINC000011814874 211249596 /nfs/dbraw/zinc/24/95/96/211249596.db2.gz MSXXZGMNSZBFMH-NRFANRHFSA-N 0 0 343.467 3.757 50 30 EHEARN C=CCn1c(S[C@@H](C(=O)OCC)C(C)C)nnc1-c1ccoc1C ZINC000095414350 218352308 /nfs/dbraw/zinc/35/23/08/218352308.db2.gz OIKLUIWSAZBNCP-CQSZACIVSA-N 0 0 349.456 3.712 50 30 EHEARN Cc1ncsc1-c1nc(CSc2nc(C)cc(C)c2C#N)no1 ZINC000096471866 218849365 /nfs/dbraw/zinc/84/93/65/218849365.db2.gz SAPBFMHZJBJRDQ-UHFFFAOYSA-N 0 0 343.437 3.677 50 30 EHEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2CCC(C)C)c1=O ZINC000004866646 210307083 /nfs/dbraw/zinc/30/70/83/210307083.db2.gz QSTVXEHQGBVFBT-UHFFFAOYSA-N 0 0 347.422 3.527 50 30 EHEARN Cc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)nn1-c1ccccc1 ZINC000120003792 221457980 /nfs/dbraw/zinc/45/79/80/221457980.db2.gz BHXSWKZPUYDWDC-UHFFFAOYSA-N 0 0 336.782 3.958 50 30 EHEARN N#CC1(c2ccc(C(=O)N(CC(F)(F)F)c3ccccn3)cc2)CC1 ZINC000179824525 257953613 /nfs/dbraw/zinc/95/36/13/257953613.db2.gz KGLLDJJMJKDORL-UHFFFAOYSA-N 0 0 345.324 3.846 50 30 EHEARN COc1ccc(/C=C\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000004582699 257911057 /nfs/dbraw/zinc/91/10/57/257911057.db2.gz DVOPMHREHMBXGC-DAXSKMNVSA-N 0 0 343.335 3.517 50 30 EHEARN C=CCn1c(C)cc(C2=NNC(=NCc3ccccc3)SC2)c1C ZINC000006636772 258044852 /nfs/dbraw/zinc/04/48/52/258044852.db2.gz LJLCBNTWMCUTPX-UHFFFAOYSA-N 0 0 338.480 3.888 50 30 EHEARN Cc1cnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)C2)s1 ZINC000328587847 258045134 /nfs/dbraw/zinc/04/51/34/258045134.db2.gz ATYSRTOYOXCIFJ-GFCCVEGCSA-N 0 0 328.397 3.615 50 30 EHEARN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@H]1CCc2n[nH]cc2C1 ZINC000328586473 258046733 /nfs/dbraw/zinc/04/67/33/258046733.db2.gz XSTIKVYACWVLCD-NSHDSACASA-N 0 0 347.378 3.939 50 30 EHEARN COc1cc(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)cc(C)n1 ZINC000330031571 258003101 /nfs/dbraw/zinc/00/31/01/258003101.db2.gz AIOMVDJKUFPPEA-UHFFFAOYSA-N 0 0 343.383 3.705 50 30 EHEARN CC(=O)NCCN(Cc1cc[nH]n1)Cc1ccc(Cl)cc1Cl ZINC000330032679 258003135 /nfs/dbraw/zinc/00/31/35/258003135.db2.gz QNBJRPUBCLKNPG-UHFFFAOYSA-N 0 0 341.242 3.695 50 30 EHEARN C=CCN(C(=O)COC(=O)c1ccccc1Cl)c1ccccc1 ZINC000051356172 258015571 /nfs/dbraw/zinc/01/55/71/258015571.db2.gz PPNMJNQKRPNLJT-UHFFFAOYSA-N 0 0 329.783 3.716 50 30 EHEARN C=CCNc1nc(C(=O)OCc2coc(-c3cccs3)n2)cs1 ZINC000010133166 258017993 /nfs/dbraw/zinc/01/79/93/258017993.db2.gz SVUUYQYTKIQXOK-UHFFFAOYSA-N 0 0 347.421 3.815 50 30 EHEARN CN(C)c1cccc(-c2cccc(C(=O)N3CCC(C#N)CC3)c2)c1 ZINC000299796669 258100811 /nfs/dbraw/zinc/10/08/11/258100811.db2.gz PCVSOJIROZGCBF-UHFFFAOYSA-N 0 0 333.435 3.795 50 30 EHEARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COc1ccccc1C#N ZINC000012910011 258055807 /nfs/dbraw/zinc/05/58/07/258055807.db2.gz VOHAMHWFXUPVLF-UHFFFAOYSA-N 0 0 338.451 3.612 50 30 EHEARN COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1O ZINC000012912640 258055841 /nfs/dbraw/zinc/05/58/41/258055841.db2.gz SFKKBVVHNKFRSX-GQCTYLIASA-N 0 0 348.782 3.968 50 30 EHEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)cc1 ZINC000019923557 258056991 /nfs/dbraw/zinc/05/69/91/258056991.db2.gz KVXMBXATICMDEQ-RDTXWAMCSA-N 0 0 345.439 3.893 50 30 EHEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccn1 ZINC000019923576 258057200 /nfs/dbraw/zinc/05/72/00/258057200.db2.gz JTPWWFXDXIKOGW-PBHICJAKSA-N 0 0 330.428 3.582 50 30 EHEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000253498277 258073463 /nfs/dbraw/zinc/07/34/63/258073463.db2.gz VVSMJVQHDZUPIL-KJQYFISQSA-N 0 0 344.451 3.629 50 30 EHEARN C#CCC1(OC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CCC1 ZINC000241121808 518247330 /nfs/dbraw/zinc/24/73/30/518247330.db2.gz JEBDMFITARYCTL-UHFFFAOYSA-N 0 0 337.375 3.943 50 30 EHEARN CC(C)(C)OC(=O)NCCC(=O)NCCCSc1ccccn1 ZINC000328591561 518774127 /nfs/dbraw/zinc/77/41/27/518774127.db2.gz KUOXZLUSSXCPPY-UHFFFAOYSA-N 0 0 339.461 3.640 50 30 EHEARN C=CCc1ccccc1OCC[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000055269763 519143018 /nfs/dbraw/zinc/14/30/18/519143018.db2.gz MKNGIHJLTZYIAC-UHFFFAOYSA-N 0 0 325.408 3.624 50 30 EHEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000005825589 519747433 /nfs/dbraw/zinc/74/74/33/519747433.db2.gz MDSDXUISUNIKFL-ZDLGFXPLSA-N 0 0 338.359 3.633 50 30 biogenic EHEARN CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1 ZINC000000186984 520623343 /nfs/dbraw/zinc/62/33/43/520623343.db2.gz KSNLKMALODNDCO-GZTJUZNOSA-N 0 0 337.375 3.980 50 30 EHEARN CCc1ccccc1OCC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555105 521919256 /nfs/dbraw/zinc/91/92/56/521919256.db2.gz VBAZPPMCXWAACB-AWEZNQCLSA-N 0 0 348.324 3.918 50 30 EHEARN CN(C)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 ZINC000000255335 522136090 /nfs/dbraw/zinc/13/60/90/522136090.db2.gz ACCIHRIPMVFQGT-UDWIEESQSA-N 0 0 337.452 3.519 50 30 EHEARN COc1ccc(NC(C)=CC(=O)c2cc(OC)ccc2OC)cc1 ZINC000005816491 524379677 /nfs/dbraw/zinc/37/96/77/524379677.db2.gz LNBIACLWRGPHOJ-ACCUITESSA-N 0 0 327.380 3.911 50 30 EHEARN Cc1[nH]c2ccccc2c1CN=Nc1nncc(-c2ccccc2)n1 ZINC000004476781 525432960 /nfs/dbraw/zinc/43/29/60/525432960.db2.gz PGOVSCINIRLJPT-RGVLZGJSSA-N 0 0 328.379 3.774 50 30 EHEARN Oc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccccc1 ZINC000252429418 526354711 /nfs/dbraw/zinc/35/47/11/526354711.db2.gz LZVRAPDGMBUQQD-UHFFFAOYSA-N 0 0 346.415 3.975 50 30 EHEARN N#CCc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)cc1 ZINC000024369479 526482720 /nfs/dbraw/zinc/48/27/20/526482720.db2.gz UPFZKSPYSDVEEO-UHFFFAOYSA-N 0 0 349.312 3.702 50 30 EHEARN Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3)o2)cn1 ZINC000006925519 527150363 /nfs/dbraw/zinc/15/03/63/527150363.db2.gz JZMYJGGSDWJWGW-CMDGGOBGSA-N 0 0 326.327 3.627 50 30 EHEARN O=C(/C=C/c1ccccn1)c1cncc(C(=O)/C=C/c2ccccn2)c1 ZINC000025692392 527636798 /nfs/dbraw/zinc/63/67/98/527636798.db2.gz TVOZXJYTWUQKPH-FIFLTTCUSA-N 0 0 341.370 3.664 50 30 EHEARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(/N=C/c2ccccc2)c1=O ZINC000000160435 563248939 /nfs/dbraw/zinc/24/89/39/563248939.db2.gz HKDAEZOGNFGKDQ-KEBDBYFISA-N 0 0 348.431 3.814 50 30 EHEARN O=C1/C(=C\c2ccc3c(c2)OCO3)CC/C1=C/c1ccc2c(c1)OCO2 ZINC000000187289 563255568 /nfs/dbraw/zinc/25/55/68/563255568.db2.gz LNKNETAYXQLOBY-DUGOVBPYSA-N 0 0 348.354 3.974 50 30 EHEARN COc1cccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccco2)c1 ZINC000000273600 563270273 /nfs/dbraw/zinc/27/02/73/563270273.db2.gz CPZLWYHTRFCASD-FYJGNVAPSA-N 0 0 345.358 3.547 50 30 EHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C)o2)C1=O ZINC000000472940 563332498 /nfs/dbraw/zinc/33/24/98/563332498.db2.gz GDGVNIGPIKISGR-GXDHUFHOSA-N 0 0 341.388 3.742 50 30 EHEARN COc1ccc(Br)cc1CN(C)Cc1ccc(C#N)cc1 ZINC000057350694 563366361 /nfs/dbraw/zinc/36/63/61/563366361.db2.gz JJAFIJNXHLNLFI-UHFFFAOYSA-N 0 0 345.240 3.961 50 30 EHEARN FC(F)(F)c1ccc(C=NN2C(=S)N=NC2c2ccncc2)cc1 ZINC000001242826 563381054 /nfs/dbraw/zinc/38/10/54/563381054.db2.gz ZUDPDLLOIGSITA-AWQFTUOYSA-N 0 0 349.341 3.530 50 30 EHEARN CC(C)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC[C@H]2CO2)cc1 ZINC000001680656 563402676 /nfs/dbraw/zinc/40/26/76/563402676.db2.gz LCFVJGUPQDGYKZ-PMACEKPBSA-N 0 0 340.419 3.568 50 30 biogenic,in-man EHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000004131618 563495802 /nfs/dbraw/zinc/49/58/02/563495802.db2.gz ICFAPRRALSWAEH-JXMROGBWSA-N 0 0 342.351 3.613 50 30 EHEARN N#CCC[C@H]1CCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004323720 563500128 /nfs/dbraw/zinc/50/01/28/563500128.db2.gz ZBCQVRVDADMPAF-MUOMHZFWSA-N 0 0 331.332 3.765 50 30 EHEARN Cc1csc(C(=O)ONC(=N)c2ccc(Cl)cc2)c1Cl ZINC000004324008 563500131 /nfs/dbraw/zinc/50/01/31/563500131.db2.gz KBQGYFPYXFGLIF-UHFFFAOYSA-N 0 0 329.208 3.841 50 30 EHEARN CCSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1C(=O)CCCC1=N2 ZINC000004436162 563502954 /nfs/dbraw/zinc/50/29/54/563502954.db2.gz OGTFWABWMPHIOQ-INIZCTEOSA-N 0 0 340.452 3.721 50 30 EHEARN CN(C)/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000004685354 563507676 /nfs/dbraw/zinc/50/76/76/563507676.db2.gz GNOCFISACGLYPM-WOJGMQOQSA-N 0 0 333.229 3.924 50 30 EHEARN O=C1N/C(=N\N=C\c2cccs2)S[C@H]1Cc1cccc(Cl)c1 ZINC000004973861 563516595 /nfs/dbraw/zinc/51/65/95/563516595.db2.gz CZMIHGKZSLTWDH-YRUBURHZSA-N 0 0 349.868 3.566 50 30 EHEARN CCn1cnnc1[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000097379230 563615947 /nfs/dbraw/zinc/61/59/47/563615947.db2.gz DXUGAWVCOKDHBA-GFCCVEGCSA-N 0 0 349.360 3.572 50 30 EHEARN COC(=O)c1ccc(CN=Nc2nc3ccccc3nc2Cl)cc1 ZINC000032647163 563675261 /nfs/dbraw/zinc/67/52/61/563675261.db2.gz HDCPMJMVHVVHHI-VXLYETTFSA-N 0 0 340.770 3.516 50 30 EHEARN COc1ccc(OC)c([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c1 ZINC000013727553 563719119 /nfs/dbraw/zinc/71/91/19/563719119.db2.gz YNSCWPCARQZBCH-QGZVFWFLSA-N 0 0 340.379 3.565 50 30 EHEARN CCC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2)c1 ZINC000069844515 563859365 /nfs/dbraw/zinc/85/93/65/563859365.db2.gz RPGNFSDSXNUJIV-INIZCTEOSA-N 0 0 341.798 3.683 50 30 EHEARN N#CCN(Cc1ccccc1)C(=O)Cc1ccc(Br)s1 ZINC000072284648 563906202 /nfs/dbraw/zinc/90/62/02/563906202.db2.gz PMBHRPZCIYQISR-UHFFFAOYSA-N 0 0 349.253 3.605 50 30 EHEARN N#CCc1cccc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000072294120 563910733 /nfs/dbraw/zinc/91/07/33/563910733.db2.gz PDPWONJMSFGBNF-HNNXBMFYSA-N 0 0 349.217 3.523 50 30 EHEARN Cc1nc([C@H]2CCCN(C(=O)c3cccc(CC#N)c3)C2)sc1C ZINC000072297369 563912588 /nfs/dbraw/zinc/91/25/88/563912588.db2.gz BGRPFQWYBGRCPC-KRWDZBQOSA-N 0 0 339.464 3.846 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1 ZINC000004592590 563925047 /nfs/dbraw/zinc/92/50/47/563925047.db2.gz BZTXQOCZDYODAL-CYBMUJFWSA-N 0 0 348.786 3.502 50 30 EHEARN CCN(CCC#N)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000058244184 563940543 /nfs/dbraw/zinc/94/05/43/563940543.db2.gz WAQBYWSMOHILEF-UHFFFAOYSA-N 0 0 345.447 3.748 50 30 EHEARN CC/N=C1\S/C(=C\c2ccc(Br)s2)C(=O)N1CC ZINC000004672550 563963631 /nfs/dbraw/zinc/96/36/31/563963631.db2.gz UQXXMTUKWTYUQB-IXRMMZTMSA-N 0 0 345.287 3.823 50 30 EHEARN CCn1c(CSc2nnc(C)c(C)c2C#N)nc2c1cccc2F ZINC000097080591 563967212 /nfs/dbraw/zinc/96/72/12/563967212.db2.gz NSGJIMSKDXXEHB-UHFFFAOYSA-N 0 0 341.415 3.766 50 30 EHEARN Cc1cc2cc(C(=O)N(C)[C@H](C)CC#N)oc2c(Br)c1 ZINC000097083152 563967299 /nfs/dbraw/zinc/96/72/99/563967299.db2.gz ZFAUQONBVXMCDM-SNVBAGLBSA-N 0 0 335.201 3.878 50 30 EHEARN O=C1ON=C(c2ccccc2)/C1=C\c1ccc(Br)s1 ZINC000033281517 563973026 /nfs/dbraw/zinc/97/30/26/563973026.db2.gz FTSMIVINWQJNND-DHZHZOJOSA-N 0 0 334.194 3.855 50 30 EHEARN C/N=C1\S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1C ZINC000100224509 563982425 /nfs/dbraw/zinc/98/24/25/563982425.db2.gz ICNBFWCJIPQMLD-MNTGGVIJSA-N 0 0 331.828 3.663 50 30 EHEARN O=C1c2ccccc2C(=O)C(NCc2ccc(Cl)cc2)=C1Cl ZINC000100699504 563982718 /nfs/dbraw/zinc/98/27/18/563982718.db2.gz JSOPQDOEULZIHP-UHFFFAOYSA-N 0 0 332.186 3.959 50 30 EHEARN Cc1cc(NC(=O)[C@@H](Oc2ccc(C#N)cc2)c2ccccc2)no1 ZINC000014139004 563983287 /nfs/dbraw/zinc/98/32/87/563983287.db2.gz ILPLGZHOYRFCNY-SFHVURJKSA-N 0 0 333.347 3.614 50 30 EHEARN CS(=O)(=O)Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 ZINC000100379634 563992261 /nfs/dbraw/zinc/99/22/61/563992261.db2.gz QOHOCWUICYMUBA-VXLYETTFSA-N 0 0 343.326 3.794 50 30 EHEARN Cc1ccc(CN(Cc2ccco2)C(=O)CC#N)c(Br)c1 ZINC000408515736 563993005 /nfs/dbraw/zinc/99/30/05/563993005.db2.gz PTTGAHVJQYJLTB-UHFFFAOYSA-N 0 0 347.212 3.793 50 30 EHEARN C[C@@H](NC(=O)COc1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005108567 563994394 /nfs/dbraw/zinc/99/43/94/563994394.db2.gz AGGJYQFVLIVKKX-RWLLOJOVSA-N 0 0 338.451 3.658 50 30 EHEARN CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1cccc(Cl)c1 ZINC000100708008 563994981 /nfs/dbraw/zinc/99/49/81/563994981.db2.gz HKNSLNJKNYKMSP-RKDSPFTASA-N 0 0 342.738 3.771 50 30 EHEARN N#Cc1cc2c(nc1[S@](=O)Cc1ccc(Cl)cc1)CCCC2 ZINC000000074075 564001060 /nfs/dbraw/zinc/00/10/60/564001060.db2.gz CYBUCOVMTAQKIN-QFIPXVFZSA-N 0 0 330.840 3.793 50 30 EHEARN CO/N=C/C(=NNc1ccc(OC)cc1)C(=O)c1ccc(Cl)cc1 ZINC000005210714 564001105 /nfs/dbraw/zinc/00/11/05/564001105.db2.gz VOUMECKMVDQSAS-BRRLLNCPSA-N 0 0 345.786 3.632 50 30 EHEARN CCN1CCN(c2oc(-c3cccc4ccccc43)nc2C#N)CC1 ZINC000005277966 564002316 /nfs/dbraw/zinc/00/23/16/564002316.db2.gz YQDKIDCJWYHLCM-UHFFFAOYSA-N 0 0 332.407 3.508 50 30 EHEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005339362 564002745 /nfs/dbraw/zinc/00/27/45/564002745.db2.gz CQMIFBASHJZBAC-IUXPMGMMSA-N 0 0 328.751 3.924 50 30 biogenic EHEARN Cc1ccccc1CSCc1nc2ccccc2c(=O)n1CC#N ZINC000005368101 564003106 /nfs/dbraw/zinc/00/31/06/564003106.db2.gz JASQCXYJNBDWCW-UHFFFAOYSA-N 0 0 335.432 3.662 50 30 EHEARN C=CCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100874074 564017008 /nfs/dbraw/zinc/01/70/08/564017008.db2.gz UKYAFHUEVGPKNW-VZCXRCSSSA-N 0 0 333.416 3.810 50 30 EHEARN N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2ccccc2N2CCCC[C@H]21 ZINC000005694268 564019156 /nfs/dbraw/zinc/01/91/56/564019156.db2.gz RSHQSURFWKZLSY-FPOVZHCZSA-N 0 0 328.419 3.939 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000000528416 564021375 /nfs/dbraw/zinc/02/13/75/564021375.db2.gz OAJQSOYIXXDKHZ-HNNXBMFYSA-N 0 0 347.418 3.751 50 30 EHEARN COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)ccc1C ZINC000103504511 564022569 /nfs/dbraw/zinc/02/25/69/564022569.db2.gz DWHDEPXIHIYPPM-ZDUSSCGKSA-N 0 0 342.782 3.618 50 30 EHEARN O=C(/C=C1\C(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000000547375 564022767 /nfs/dbraw/zinc/02/27/67/564022767.db2.gz UEDBOSNZRXYIME-LCYFTJDESA-N 0 0 328.165 3.668 50 30 EHEARN CC(C)[C@H](NC=C1C(=O)CC(C)(C)CC1=O)c1nc2ccccc2[nH]1 ZINC000103840907 564023198 /nfs/dbraw/zinc/02/31/98/564023198.db2.gz IIPXVBWALFASFD-SFHVURJKSA-N 0 0 339.439 3.692 50 30 EHEARN N#Cc1cccc(OC2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000104487531 564023907 /nfs/dbraw/zinc/02/39/07/564023907.db2.gz LBTHDRGDKDKOPY-UHFFFAOYSA-N 0 0 348.446 3.951 50 30 EHEARN N#Cc1cn(CC(=O)NCc2ccc(F)cc2Cl)c2ccccc12 ZINC000051319174 564024502 /nfs/dbraw/zinc/02/45/02/564024502.db2.gz FGFHWKHTRQVVIE-UHFFFAOYSA-N 0 0 341.773 3.622 50 30 EHEARN CCOc1ccc2c(c1)C(=O)/C(=C(\C)NCc1ccncc1)S2 ZINC000110877883 564026181 /nfs/dbraw/zinc/02/61/81/564026181.db2.gz XMXXGNIFVKSDNX-PDGQHHTCSA-N 0 0 326.421 3.790 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCSCC1 ZINC000108531943 564028361 /nfs/dbraw/zinc/02/83/61/564028361.db2.gz WWCKRDYBSMNYJV-ZDUSSCGKSA-N 0 0 335.498 3.909 50 30 EHEARN Cc1nc2ccc(NCC(=O)NC3(C#N)CCCCCC3)cc2s1 ZINC000045887035 564028772 /nfs/dbraw/zinc/02/87/72/564028772.db2.gz ZMDICAQKSNVEPS-UHFFFAOYSA-N 0 0 342.468 3.749 50 30 EHEARN COc1ccccc1C=CC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828599 564032305 /nfs/dbraw/zinc/03/23/05/564032305.db2.gz BNVBDEMPOSOONH-VIIAAUOXSA-N 0 0 346.308 3.999 50 30 EHEARN CCOC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000012250963 564033213 /nfs/dbraw/zinc/03/32/13/564033213.db2.gz WGQQIPJIIXPSSO-UHFFFAOYSA-N 0 0 332.812 3.929 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345243 564055801 /nfs/dbraw/zinc/05/58/01/564055801.db2.gz MSGQPOBWYUXEOQ-QEMAFIRCSA-N 0 0 332.484 3.727 50 30 EHEARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(C#N)cc1 ZINC000012586973 564060166 /nfs/dbraw/zinc/06/01/66/564060166.db2.gz LDWRWBFFKVHJAL-OLMNPRSZSA-N 0 0 343.423 3.719 50 30 EHEARN Cc1ccc(C)c(CN2c3cc(C#N)ccc3N3CCC[C@@H]3C2=O)c1 ZINC000001386693 564063952 /nfs/dbraw/zinc/06/39/52/564063952.db2.gz DUXLYNDCONOMPI-LJQANCHMSA-N 0 0 331.419 3.691 50 30 EHEARN CN(CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1-c1ccccc1 ZINC000083862106 564064044 /nfs/dbraw/zinc/06/40/44/564064044.db2.gz BMZCGZYIJUKBPE-OAQYLSRUSA-N 0 0 333.435 3.598 50 30 EHEARN C=CCC1(OC)CCN(C(=O)Nc2ccc3ncccc3c2)CC1 ZINC000095501323 564066253 /nfs/dbraw/zinc/06/62/53/564066253.db2.gz CLDPVQOVPNOCGQ-UHFFFAOYSA-N 0 0 325.412 3.824 50 30 EHEARN N#Cc1ccc(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)cc1 ZINC000223293319 564066921 /nfs/dbraw/zinc/06/69/21/564066921.db2.gz DATMWKSKUSRXEK-LJQANCHMSA-N 0 0 331.350 3.612 50 30 EHEARN CC(=O)C1=NN(c2ccccc2)[C@@H](C#C[Si](C)(C)C)N1C(C)(C)C ZINC000195529889 564066970 /nfs/dbraw/zinc/06/69/70/564066970.db2.gz LIUQQUFRJPBCLU-KRWDZBQOSA-N 0 0 341.531 3.717 50 30 EHEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 ZINC000008993737 564072803 /nfs/dbraw/zinc/07/28/03/564072803.db2.gz WNHJFWKBXIDLCJ-UHFFFAOYSA-N 0 0 342.380 3.925 50 30 EHEARN C=CCn1c(C)cc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)c1C ZINC000012811668 564072835 /nfs/dbraw/zinc/07/28/35/564072835.db2.gz KEPKLAAZSLOTAA-HNNXBMFYSA-N 0 0 331.441 3.532 50 30 EHEARN O=C(/C=C/c1ccco1)NCC#CCOc1cccc(C(F)(F)F)c1 ZINC000085474030 564073543 /nfs/dbraw/zinc/07/35/43/564073543.db2.gz HEOYYXUCNLWJRX-CMDGGOBGSA-N 0 0 349.308 3.510 50 30 EHEARN CC#CC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000012718712 564073643 /nfs/dbraw/zinc/07/36/43/564073643.db2.gz PXMWAPALMZYQAT-GOSISDBHSA-N 0 0 335.451 3.687 50 30 EHEARN C=CCNc1ncnc2sc(C(=O)N3CCCC[C@H]3C)c(C)c21 ZINC000014995520 564074211 /nfs/dbraw/zinc/07/42/11/564074211.db2.gz MSCRGNYLYVKLMK-LLVKDONJSA-N 0 0 330.457 3.612 50 30 EHEARN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 ZINC000002154946 564074793 /nfs/dbraw/zinc/07/47/93/564074793.db2.gz YSKCFCLGAXDDGA-KRWDZBQOSA-N 0 0 330.409 3.944 50 30 EHEARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(CC#N)cc1 ZINC000015818210 564075406 /nfs/dbraw/zinc/07/54/06/564075406.db2.gz QXAXYAXSUMUDKB-UHFFFAOYSA-N 0 0 334.404 3.832 50 30 EHEARN C[C@H]1CCc2sc(NC(=O)COc3ccccc3)c(C#N)c2C1 ZINC000001518638 564075823 /nfs/dbraw/zinc/07/58/23/564075823.db2.gz JDTLEJBKKCFSCL-LBPRGKRZSA-N 0 0 326.421 3.762 50 30 EHEARN COc1ccccc1[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000012879548 564076745 /nfs/dbraw/zinc/07/67/45/564076745.db2.gz BAFJTORLNXKIKA-CYBMUJFWSA-N 0 0 349.390 3.750 50 30 EHEARN C[C@@H](Sc1cc(C#N)ccn1)c1nc(Cc2ccc(F)cc2)no1 ZINC000088499598 564079473 /nfs/dbraw/zinc/07/94/73/564079473.db2.gz HIRUFZHOIZMSFT-LLVKDONJSA-N 0 0 340.383 3.919 50 30 EHEARN COC(=O)[C@@]12CC(C)(C)C[C@@](C)(CC3=C1C(=O)C(=O)C(C)(C)C3)C2 ZINC000075270940 564081354 /nfs/dbraw/zinc/08/13/54/564081354.db2.gz KCJCQPPDGFORHM-WOJBJXKFSA-N 0 0 332.440 3.631 50 30 EHEARN Cn1nc(C(=O)Nc2ccccc2C#N)c2c1-c1ccccc1SC2 ZINC000006817672 564085433 /nfs/dbraw/zinc/08/54/33/564085433.db2.gz XCTKIZWDPUHSIQ-UHFFFAOYSA-N 0 0 346.415 3.817 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COc1ccccc1C#N ZINC000035637651 564085598 /nfs/dbraw/zinc/08/55/98/564085598.db2.gz XNPAIPZXJMPZIA-NDENLUEZSA-N 0 0 332.403 3.818 50 30 EHEARN Cc1cc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC000006408952 564085655 /nfs/dbraw/zinc/08/56/55/564085655.db2.gz DKTWXHHGZSOYGM-UHFFFAOYSA-N 0 0 333.347 3.539 50 30 EHEARN Clc1cccc(Cl)c1C=NN1CCN(c2ccccn2)CC1 ZINC000244872954 564088607 /nfs/dbraw/zinc/08/86/07/564088607.db2.gz WHKVNFFFCKGDHE-UHFFFAOYSA-N 0 0 335.238 3.545 50 30 EHEARN Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000075602384 564089713 /nfs/dbraw/zinc/08/97/13/564089713.db2.gz GFGUJNNHBRIQSL-CYBMUJFWSA-N 0 0 334.851 3.520 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192480279 564090194 /nfs/dbraw/zinc/09/01/94/564090194.db2.gz QUTFYIINTAMPAH-SNVBAGLBSA-N 0 0 336.233 3.704 50 30 EHEARN CC(C)CC(=O)Nc1nnc(SCc2ccccc2C#N)s1 ZINC000006740028 564096793 /nfs/dbraw/zinc/09/67/93/564096793.db2.gz FKZTVCBGTLERCT-UHFFFAOYSA-N 0 0 332.454 3.687 50 30 EHEARN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007027827 564103230 /nfs/dbraw/zinc/10/32/30/564103230.db2.gz ARUDVLJBFGENNR-GFCCVEGCSA-N 0 0 339.420 3.636 50 30 EHEARN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000007090751 564104843 /nfs/dbraw/zinc/10/48/43/564104843.db2.gz PJTYTTWPGHLLGL-GFCCVEGCSA-N 0 0 340.345 3.815 50 30 EHEARN CCc1nnsc1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000065453510 564106047 /nfs/dbraw/zinc/10/60/47/564106047.db2.gz IMCVDTKZYJRGSB-JTQLQIEISA-N 0 0 332.454 3.605 50 30 EHEARN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1c(F)cccc1Cl ZINC000007266640 564106120 /nfs/dbraw/zinc/10/61/20/564106120.db2.gz NQGUGVBFTUHBQF-LBPRGKRZSA-N 0 0 345.805 3.810 50 30 EHEARN C#CCN(CC(=O)N1CCCc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000065550415 564107392 /nfs/dbraw/zinc/10/73/92/564107392.db2.gz WUJCZIWVTGDRRZ-JOCHJYFZSA-N 0 0 344.458 3.589 50 30 EHEARN C=CCNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000065614225 564108404 /nfs/dbraw/zinc/10/84/04/564108404.db2.gz FEMZQJFXDAAJGW-UHFFFAOYSA-N 0 0 326.343 3.674 50 30 EHEARN N#Cc1ccc(N2CC3(CCC3)c3cc(Br)ccc32)nn1 ZINC000170614728 564109980 /nfs/dbraw/zinc/10/99/80/564109980.db2.gz LXPYSHLVMBDTSD-UHFFFAOYSA-N 0 0 341.212 3.684 50 30 EHEARN O=C(C=NOCc1c(F)cccc1Cl)Nc1ccc(F)cc1F ZINC000252458361 564118621 /nfs/dbraw/zinc/11/86/21/564118621.db2.gz CEYMQILUHWXTNX-UHFFFAOYSA-N 0 0 342.704 3.898 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1C ZINC000193191702 564118798 /nfs/dbraw/zinc/11/87/98/564118798.db2.gz XJVHSJYNHGTMEY-GJZGRUSLSA-N 0 0 335.473 3.641 50 30 EHEARN Cc1oc(C#N)cc1C(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000252491453 564119565 /nfs/dbraw/zinc/11/95/65/564119565.db2.gz LMVSKXXUXGIKAO-UHFFFAOYSA-N 0 0 328.221 3.592 50 30 EHEARN COCCN1C(=O)/C(=C/c2ccccc2)SC1=Nc1ccccc1 ZINC000252611284 564121828 /nfs/dbraw/zinc/12/18/28/564121828.db2.gz IINMOWDGYRHBEL-ZZQWWYRBSA-N 0 0 338.432 3.937 50 30 EHEARN [O-]N=C(C[n+]1cccc(Br)c1)c1ccc2ccccc2c1 ZINC000252628203 564123442 /nfs/dbraw/zinc/12/34/42/564123442.db2.gz SKSQUBAYWXHGLP-UHFFFAOYSA-O 0 0 342.216 3.768 50 30 EHEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C)C1 ZINC000195536087 564123657 /nfs/dbraw/zinc/12/36/57/564123657.db2.gz LZTOQUVABBCKMG-ZIAGYGMSSA-N 0 0 345.512 3.948 50 30 EHEARN C[C@@H]1SC(=NN=Cc2c3ccccc3cc3ccccc32)NC1=O ZINC000252633657 564124467 /nfs/dbraw/zinc/12/44/67/564124467.db2.gz WFFWYBSBNIEHHX-LBPRGKRZSA-N 0 0 333.416 3.934 50 30 EHEARN Cc1c(C#N)c2nc3ccccc3n2cc1C(=O)Nc1ccccc1 ZINC000002340131 564132399 /nfs/dbraw/zinc/13/23/99/564132399.db2.gz SQMKLHLUYLUQSQ-UHFFFAOYSA-N 0 0 326.359 3.920 50 30 aggregator EHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc(C)c2C)n1 ZINC000000267053 564133077 /nfs/dbraw/zinc/13/30/77/564133077.db2.gz HZCDUCAHGPWEPE-UHFFFAOYSA-N 0 0 325.437 3.918 50 30 EHEARN Cc1cc(C)c(C#N)c(SC[C@@H](O)CNc2ccc(Cl)cc2)n1 ZINC000000469654 564133293 /nfs/dbraw/zinc/13/32/93/564133293.db2.gz NFLDRIPYPXONII-HNNXBMFYSA-N 0 0 347.871 3.789 50 30 EHEARN N#Cc1cccnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000007051559 564133861 /nfs/dbraw/zinc/13/38/61/564133861.db2.gz HTODDJDBDQRXFD-UHFFFAOYSA-N 0 0 338.219 3.991 50 30 EHEARN Cc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cccc(O)c1 ZINC000067515421 564134803 /nfs/dbraw/zinc/13/48/03/564134803.db2.gz SIQMEWZIZAPALN-AWEZNQCLSA-N 0 0 337.423 3.889 50 30 EHEARN N#Cc1ccnc(N2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)c1 ZINC000067881053 564134948 /nfs/dbraw/zinc/13/49/48/564134948.db2.gz BPTZPKQUILYCSQ-GOSISDBHSA-N 0 0 343.434 3.651 50 30 EHEARN Cc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1ccc(O)cc1 ZINC000067983295 564134970 /nfs/dbraw/zinc/13/49/70/564134970.db2.gz VIPHMOHBFDKHTA-AWEZNQCLSA-N 0 0 337.423 3.889 50 30 EHEARN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc(-c2ccco2)cc1F ZINC000328587737 564136535 /nfs/dbraw/zinc/13/65/35/564136535.db2.gz GIKHHZPANAVZBP-GFCCVEGCSA-N 0 0 345.374 3.550 50 30 EHEARN CCCc1c(NC(=O)c2cscn2)cnn1-c1cccc(C#N)c1 ZINC000328588022 564136576 /nfs/dbraw/zinc/13/65/76/564136576.db2.gz MEJNSSPWZZPVGS-UHFFFAOYSA-N 0 0 337.408 3.789 50 30 EHEARN COc1ccc2c(c1)OC[C@H](NC(=O)Cc1cnc3ccccc3c1)C2 ZINC000328588606 564136634 /nfs/dbraw/zinc/13/66/34/564136634.db2.gz JXRQQABMSPCYLA-QGZVFWFLSA-N 0 0 348.402 3.746 50 30 EHEARN Cc1cnc(CCNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)s1 ZINC000328593779 564136805 /nfs/dbraw/zinc/13/68/05/564136805.db2.gz ILPDAZRCRJKQSG-KSSFIOAISA-N 0 0 328.437 3.691 50 30 EHEARN N#C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1ccsc1 ZINC000079806220 564138312 /nfs/dbraw/zinc/13/83/12/564138312.db2.gz GNTVNDKDPYDANM-LLVKDONJSA-N 0 0 328.290 3.901 50 30 EHEARN N#CCSc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 ZINC000079891374 564138351 /nfs/dbraw/zinc/13/83/51/564138351.db2.gz SXHGWFMQHFIYMU-MRXNPFEDSA-N 0 0 341.823 3.950 50 30 EHEARN COc1ccc(C(=O)O/N=C(\c2ccccc2)c2ccccn2)cc1 ZINC000095481696 564141607 /nfs/dbraw/zinc/14/16/07/564141607.db2.gz ZRURAXIAPBFZTG-ZBJSNUHESA-N 0 0 332.359 3.700 50 30 EHEARN C=CC[C@@H](NC(=O)/C=C\c1ccc(OC)cc1OC)c1ccncc1 ZINC000096054768 564145115 /nfs/dbraw/zinc/14/51/15/564145115.db2.gz LVNFRVGCYSHCDO-YPLUBFQTSA-N 0 0 338.407 3.546 50 30 EHEARN CC(C)OC(=O)NCc1ccc(NCc2ccc(C#N)cc2F)cc1 ZINC000096408698 564147498 /nfs/dbraw/zinc/14/74/98/564147498.db2.gz ROCZDJIWWUWDMQ-UHFFFAOYSA-N 0 0 341.386 3.944 50 30 EHEARN C#Cc1cccc(NC(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000096446184 564148221 /nfs/dbraw/zinc/14/82/21/564148221.db2.gz QKIRUFPJVMAGGK-BSEYFRJRSA-N 0 0 340.448 3.630 50 30 EHEARN N#Cc1c(NC(=S)NC(=O)C2CCCC2)sc2c1CCCCC2 ZINC000003258913 564156701 /nfs/dbraw/zinc/15/67/01/564156701.db2.gz FDMFBLYSQABNAE-UHFFFAOYSA-N 0 0 347.509 3.892 50 30 aggregator EHEARN C=CCn1c(SCC#N)nc2sc(-c3ccccc3)cc2c1=O ZINC000003267657 564156797 /nfs/dbraw/zinc/15/67/97/564156797.db2.gz ZSWXEJBKWPCHPO-UHFFFAOYSA-N 0 0 339.445 3.927 50 30 EHEARN N#CCCN(C(=O)c1cncc(Br)c1)c1ccccc1F ZINC000003287125 564156979 /nfs/dbraw/zinc/15/69/79/564156979.db2.gz KDNDSXJIJAGQRW-UHFFFAOYSA-N 0 0 348.175 3.544 50 30 EHEARN N#Cc1c(NC(=O)CCOc2ccccc2)sc2c1CCCC2 ZINC000003415212 564157989 /nfs/dbraw/zinc/15/79/89/564157989.db2.gz ZSCZALHNKJFAAJ-UHFFFAOYSA-N 0 0 326.421 3.906 50 30 EHEARN Cc1cc(C(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1C#N ZINC000004054119 564160274 /nfs/dbraw/zinc/16/02/74/564160274.db2.gz LSUZUIXMXZWBIC-UHFFFAOYSA-N 0 0 343.386 3.787 50 30 EHEARN Cn1cc(-c2csc(CC#N)n2)cc1C(=O)C(Cl)(Cl)Cl ZINC000004073428 564160327 /nfs/dbraw/zinc/16/03/27/564160327.db2.gz QJHDABFASSUEKX-UHFFFAOYSA-N 0 0 348.642 3.768 50 30 EHEARN N#Cc1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C#N ZINC000004195894 564161106 /nfs/dbraw/zinc/16/11/06/564161106.db2.gz VDPMYGXZBBDRGF-UHFFFAOYSA-N 0 0 346.390 3.568 50 30 EHEARN C=CCc1cccc2cc(C(=O)Nc3cccc(OC)c3)c(=O)oc21 ZINC000004263311 564161375 /nfs/dbraw/zinc/16/13/75/564161375.db2.gz GAHHOFDOOJMYIW-UHFFFAOYSA-N 0 0 335.359 3.782 50 30 EHEARN CCOc1ccc(/C=C/c2nc(C#N)c(NC[C@@H]3CCCO3)o2)cc1 ZINC000008323896 564164421 /nfs/dbraw/zinc/16/44/21/564164421.db2.gz SYJDEZFJKBRYII-JCVNQNCUSA-N 0 0 339.395 3.706 50 30 EHEARN CC(C)c1ccc(C#N)c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008618161 564166119 /nfs/dbraw/zinc/16/61/19/564166119.db2.gz NERUCBUZWKULMS-UHFFFAOYSA-N 0 0 329.400 3.947 50 30 EHEARN C=CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1)C1CCCC1 ZINC000040156856 564168434 /nfs/dbraw/zinc/16/84/34/564168434.db2.gz LJTMKFHTQLCAPL-QGZVFWFLSA-N 0 0 340.467 3.614 50 30 EHEARN C=CCN(C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1)C1CCCC1 ZINC000040156857 564168435 /nfs/dbraw/zinc/16/84/35/564168435.db2.gz LJTMKFHTQLCAPL-KRWDZBQOSA-N 0 0 340.467 3.614 50 30 EHEARN C[C@@H](Sc1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000069270476 564168725 /nfs/dbraw/zinc/16/87/25/564168725.db2.gz DFHNPJSQUGINIV-SNVBAGLBSA-N 0 0 344.461 3.933 50 30 EHEARN CCc1cccc2c(C(=O)N(CCC#N)Cc3cccnc3)c[nH]c21 ZINC000069416406 564169280 /nfs/dbraw/zinc/16/92/80/564169280.db2.gz PBNIKZIAWMOSNB-UHFFFAOYSA-N 0 0 332.407 3.681 50 30 EHEARN N#CCCSc1ccccc1NC(=O)COc1ccc(F)cc1F ZINC000069570165 564170581 /nfs/dbraw/zinc/17/05/81/564170581.db2.gz QFKVSZHQICWOKV-UHFFFAOYSA-N 0 0 348.374 3.988 50 30 EHEARN N#Cc1c(=O)[n-]cc(/C=[NH+]/Cc2ccccc2)c1Nc1ccccc1 ZINC000009245680 564171781 /nfs/dbraw/zinc/17/17/81/564171781.db2.gz WRAJMCNTCCXFPL-LPYMAVHISA-N 0 0 328.375 3.609 50 30 EHEARN CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069846642 564172511 /nfs/dbraw/zinc/17/25/11/564172511.db2.gz RJPHRNBNGAHWLJ-VHSXEESVSA-N 0 0 336.363 3.690 50 30 EHEARN C=C(Cl)C[S@](=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000069876212 564172623 /nfs/dbraw/zinc/17/26/23/564172623.db2.gz AZJIFZPPQCEOFH-OAQYLSRUSA-N 0 0 341.841 3.540 50 30 EHEARN CC1=C(C(=O)C=Cc2ccccc2C(F)(F)F)[C@@H](C)N2NN=NC2=N1 ZINC000328589745 1017952721 /nfs/dbraw/zinc/95/27/21/1017952721.db2.gz SCWXXEWLJXIDCN-QROSGCPLSA-N 0 0 349.316 3.507 50 30 EHEARN Cc1ncsc1/C=C/C(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000078931712 1017954178 /nfs/dbraw/zinc/95/41/78/1017954178.db2.gz PPUSASCZUPAVNC-CMDGGOBGSA-N 0 0 329.425 3.878 50 30 EHEARN COc1ccc(NC(C)=O)cc1NCc1ccc(Cl)cc1C#N ZINC000187706861 1024479836 /nfs/dbraw/zinc/47/98/36/1024479836.db2.gz ZHMWIDLYZVFMTL-UHFFFAOYSA-N 0 0 329.787 3.791 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O[C@H](C)C#N)cc1)CO2 ZINC000254961776 1035725230 /nfs/dbraw/zinc/72/52/30/1035725230.db2.gz IBHVZEQIPSFPBG-GULXKOIASA-N 0 0 335.359 3.645 50 30 EHEARN Cn1cc(/C=C/C(=O)c2cccc(O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063277063 1126905967 /nfs/dbraw/zinc/90/59/67/1126905967.db2.gz YJPIUHKFQQJCRR-JXMROGBWSA-N 0 0 349.346 3.597 50 30 EHEARN N#CC1(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CCOCC1 ZINC000109140865 1128717183 /nfs/dbraw/zinc/71/71/83/1128717183.db2.gz DYBCUHBWXSNMKV-UHFFFAOYSA-N 0 0 340.354 3.877 50 30 EHEARN COc1cccc(C(=O)N2CCCSC2=Nc2ccccc2)c1 ZINC000263626983 1124950250 /nfs/dbraw/zinc/95/02/50/1124950250.db2.gz MGKCZQHDXPODHQ-UHFFFAOYSA-N 0 0 326.421 3.962 50 30 EHEARN COc1cccc(OC)c1/C=C\C(=O)c1cccc(NC(C)=O)c1 ZINC000221961707 1138232437 /nfs/dbraw/zinc/23/24/37/1138232437.db2.gz DAKPDEQROAILDW-KHPPLWFESA-N 0 0 325.364 3.558 50 30 EHEARN C=CCOc1ccc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1 ZINC000101301609 219121355 /nfs/dbraw/zinc/12/13/55/219121355.db2.gz OCGBZYYWABSQBH-MRXNPFEDSA-N 0 0 338.367 3.870 50 30 EHEARN Cn1c(SCc2cc(C#N)ccc2F)nnc1-c1ccccc1F ZINC000011382856 201809086 /nfs/dbraw/zinc/80/90/86/201809086.db2.gz CELQVVFERSWQOK-UHFFFAOYSA-N 0 0 342.374 3.924 50 30 EHEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000013124489 201885283 /nfs/dbraw/zinc/88/52/83/201885283.db2.gz CWUNNMNOQCOWFB-UGSOOPFHSA-N 0 0 348.431 3.755 50 30 EHEARN Cc1nc(C2=C(N)N(c3ccccc3C(C)C)CC2=O)sc1C ZINC000013729430 201911889 /nfs/dbraw/zinc/91/18/89/201911889.db2.gz VMSDHBPKRSONJR-UHFFFAOYSA-N 0 0 327.453 3.600 50 30 EHEARN O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000014181156 201930207 /nfs/dbraw/zinc/93/02/07/201930207.db2.gz JMUUOYNXWCKZEA-SOFGYWHQSA-N 0 0 332.281 3.771 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019867263 202024176 /nfs/dbraw/zinc/02/41/76/202024176.db2.gz RMSPBZUSQYFYNJ-GOSISDBHSA-N 0 0 343.423 3.835 50 30 EHEARN COc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000019853543 202024198 /nfs/dbraw/zinc/02/41/98/202024198.db2.gz OKMDTMGJNJKWAE-KLCVKJMQSA-N 0 0 349.430 3.685 50 30 EHEARN C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000024216223 202113534 /nfs/dbraw/zinc/11/35/34/202113534.db2.gz QBTSHZDTZAFCSU-OAHLLOKOSA-N 0 0 333.435 3.726 50 30 EHEARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCC#N)cc1 ZINC000024673147 202119026 /nfs/dbraw/zinc/11/90/26/202119026.db2.gz BFYWTNSLMYRZPG-UHFFFAOYSA-N 0 0 335.285 3.564 50 30 EHEARN Cc1oc(NC(=O)CN2CCC[C@H]2c2cccs2)c(C#N)c1C ZINC000025948819 202136490 /nfs/dbraw/zinc/13/64/90/202136490.db2.gz XWXMVSWYQNFOSI-AWEZNQCLSA-N 0 0 329.425 3.605 50 30 EHEARN C[NH+](C)[C@H](CNc1oc(-c2cccs2)nc1C#N)c1ccccc1 ZINC000027991220 202163026 /nfs/dbraw/zinc/16/30/26/202163026.db2.gz GZGSPCBLOFMZHH-OAHLLOKOSA-N 0 0 338.436 3.990 50 30 EHEARN CC(C)(O)C#Cc1ccc(-c2nccn2Cc2ccsc2)s1 ZINC000067688603 202242804 /nfs/dbraw/zinc/24/28/04/202242804.db2.gz RKHXIKQDMYSWAH-UHFFFAOYSA-N 0 0 328.462 3.844 50 30 EHEARN CC(C)COC(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000033011297 202247117 /nfs/dbraw/zinc/24/71/17/202247117.db2.gz NCTDIBJBKLKNGF-UHFFFAOYSA-N 0 0 326.421 3.912 50 30 EHEARN CCCOC(=O)CSc1nc(-c2ccc(OC)cc2)ccc1C#N ZINC000033011206 202247646 /nfs/dbraw/zinc/24/76/46/202247646.db2.gz DIIARWDPDGIIHT-UHFFFAOYSA-N 0 0 342.420 3.674 50 30 EHEARN C=CC[C@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccncc1 ZINC000071908431 215950114 /nfs/dbraw/zinc/95/01/14/215950114.db2.gz FNMMBRNZQPMWEW-KRWDZBQOSA-N 0 0 340.423 3.925 50 30 EHEARN CCc1cc(NC(=O)c2cc(C)oc2C)nn1-c1ccc(C#N)cc1 ZINC000034907304 202280472 /nfs/dbraw/zinc/28/04/72/202280472.db2.gz IVHINAITQFISKC-UHFFFAOYSA-N 0 0 334.379 3.769 50 30 EHEARN COc1ccc(C(=O)/C=C2\C(=O)Nc3c2cccc3Cl)cc1OC ZINC000036366741 202324180 /nfs/dbraw/zinc/32/41/80/202324180.db2.gz YDBHCFSQGUMTCS-XFXZXTDPSA-N 0 0 343.766 3.576 50 30 EHEARN N#Cc1ccccc1/C=C/C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000042061377 202490611 /nfs/dbraw/zinc/49/06/11/202490611.db2.gz LFRCTMLUQCXNLB-MDZDMXLPSA-N 0 0 347.418 3.604 50 30 EHEARN O=C1c2ccc(Br)cc2OCC/C1=C/c1cccnc1 ZINC000096248614 201374519 /nfs/dbraw/zinc/37/45/19/201374519.db2.gz IKNRDTFUKBTZBG-WQLSENKSSA-N 0 0 330.181 3.893 50 30 EHEARN Cc1nc(/C=C\C(=O)Nc2cccc(C#Cc3ccccn3)c2)cs1 ZINC000096401494 201376862 /nfs/dbraw/zinc/37/68/62/201376862.db2.gz RZSNAGJBQVFJBP-KHPPLWFESA-N 0 0 345.427 3.898 50 30 EHEARN N#Cc1ccc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc1 ZINC000096634923 201377728 /nfs/dbraw/zinc/37/77/28/201377728.db2.gz XJDVUNSLCSSOCY-OVCLIPMQSA-N 0 0 340.285 3.504 50 30 EHEARN C/C=C\c1ccc(OCC(=O)OCc2ccccc2C#N)c(OC)c1 ZINC000096506633 201377793 /nfs/dbraw/zinc/37/77/93/201377793.db2.gz KECXHJUKDDTLQL-UTCJRWHESA-N 0 0 337.375 3.722 50 30 EHEARN COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O ZINC000028182465 201388542 /nfs/dbraw/zinc/38/85/42/201388542.db2.gz CWBWJDPPQSTZIT-UWVJOHFNSA-N 0 0 335.359 3.812 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000047405259 202580801 /nfs/dbraw/zinc/58/08/01/202580801.db2.gz PRCYOMMTKOQAGW-LBPRGKRZSA-N 0 0 347.827 3.781 50 30 EHEARN Cc1nc(C#N)c(N2CCC(c3nc(C4CCCCC4)no3)CC2)o1 ZINC000193167926 240046205 /nfs/dbraw/zinc/04/62/05/240046205.db2.gz OEITVADRMYHKDL-UHFFFAOYSA-N 0 0 341.415 3.669 50 30 EHEARN O=C(Cc1cccc(F)c1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000022476591 212300825 /nfs/dbraw/zinc/30/08/25/212300825.db2.gz NQJSRJQVTAKKPB-UHFFFAOYSA-N 0 0 335.300 3.555 50 30 EHEARN CCN(C(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000225761310 242023374 /nfs/dbraw/zinc/02/33/74/242023374.db2.gz WUBZFISLTYCKOX-UHFFFAOYSA-N 0 0 333.313 3.947 50 30 EHEARN O=[N+]([O-])c1ccc(C=NNc2ncnc3sc4c(c32)CCCC4)o1 ZINC000004697143 201612511 /nfs/dbraw/zinc/61/25/11/201612511.db2.gz HLWPCDZACKSMGW-WSVATBPTSA-N 0 0 343.368 3.517 50 30 EHEARN COc1cc(NC(=O)c2ccc(C#N)cc2F)c(OC)cc1Cl ZINC000004870381 201624313 /nfs/dbraw/zinc/62/43/13/201624313.db2.gz YVRBMMVASPJRON-UHFFFAOYSA-N 0 0 334.734 3.620 50 30 EHEARN Cc1cc(C)n(-c2cc(N=NCc3cccc(Cl)c3)nc(C)n2)n1 ZINC000004595597 201607037 /nfs/dbraw/zinc/60/70/37/201607037.db2.gz XXKFAFQVGCFORG-VXLYETTFSA-N 0 0 340.818 3.687 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000004624555 201608417 /nfs/dbraw/zinc/60/84/17/201608417.db2.gz DAKXRWFUULPRKF-QGZVFWFLSA-N 0 0 343.398 3.603 50 30 EHEARN C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000005382161 201650025 /nfs/dbraw/zinc/65/00/25/201650025.db2.gz QUAHGWMBXHLSCV-OVCLIPMQSA-N 0 0 349.264 3.757 50 30 EHEARN CCOc1ccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc1OC ZINC000067934146 202946786 /nfs/dbraw/zinc/94/67/86/202946786.db2.gz HNWAPTWSSWSSRZ-UHFFFAOYSA-N 0 0 348.406 3.615 50 30 EHEARN N#CC1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1 ZINC000069699980 203038189 /nfs/dbraw/zinc/03/81/89/203038189.db2.gz MZPNQAOXHRHSRA-UHFFFAOYSA-N 0 0 326.425 3.941 50 30 EHEARN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ccc(F)c(C#N)c1 ZINC000252503300 243827793 /nfs/dbraw/zinc/82/77/93/243827793.db2.gz VATRUQNABFRPGX-CYBMUJFWSA-N 0 0 343.427 3.654 50 30 EHEARN N#Cc1ccccc1C(=O)c1cccnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000072168739 203181676 /nfs/dbraw/zinc/18/16/76/203181676.db2.gz HMYJJNCZJUUOAS-CALCHBBNSA-N 0 0 329.403 3.587 50 30 EHEARN CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000077379769 203384626 /nfs/dbraw/zinc/38/46/26/203384626.db2.gz VJECMCUKPAICKQ-OAHLLOKOSA-N 0 0 343.814 3.710 50 30 EHEARN CCOc1ccc(/C=N/c2sc(C(=O)OC)c(C)c2C#N)cc1 ZINC000016691426 203710968 /nfs/dbraw/zinc/71/09/68/203710968.db2.gz LVGYRJQDUZAHJI-VXLYETTFSA-N 0 0 328.393 3.864 50 30 EHEARN O=C1C(=C2CCCCCN2)C(Nc2ccccc2)=NN1c1ccccc1 ZINC000106565765 204203995 /nfs/dbraw/zinc/20/39/95/204203995.db2.gz SDNVREAAJLKULJ-HNENSFHCSA-N 0 0 346.434 3.686 50 30 EHEARN C=CCn1c(Sc2ccnc(C(C)C)n2)nnc1-c1ccncc1 ZINC000110124806 206546408 /nfs/dbraw/zinc/54/64/08/206546408.db2.gz KADYVUZMJAPYLR-UHFFFAOYSA-N 0 0 338.440 3.591 50 30 EHEARN C=C(C)CN(CC)C(=O)CCc1nnc(CCCc2ccccc2)o1 ZINC000012571791 211413194 /nfs/dbraw/zinc/41/31/94/211413194.db2.gz LLRNNVQZWIYBIF-UHFFFAOYSA-N 0 0 341.455 3.602 50 30 EHEARN C=CCCC(=O)N1CCC[C@@](Cc2ccc(F)cc2)(C(=O)OCC)C1 ZINC000011838570 211253623 /nfs/dbraw/zinc/25/36/23/211253623.db2.gz SWRXPXQVMURBOM-FQEVSTJZSA-N 0 0 347.430 3.506 50 30 EHEARN C=CCNc1nc(-c2ccc(OC)cc2)c(CCC(=O)OC)s1 ZINC000009553471 211101914 /nfs/dbraw/zinc/10/19/14/211101914.db2.gz NIKPKWWPJJQSPU-UHFFFAOYSA-N 0 0 332.425 3.522 50 30 EHEARN C=CCn1cnnc1SCc1ccc(Br)cc1F ZINC000006607022 210661929 /nfs/dbraw/zinc/66/19/29/210661929.db2.gz SZFPULWFIUUYNP-UHFFFAOYSA-N 0 0 328.210 3.658 50 30 EHEARN C=CCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc21 ZINC000004995660 210354586 /nfs/dbraw/zinc/35/45/86/210354586.db2.gz UKCLMFGCMHPGLP-UHFFFAOYSA-N 0 0 338.411 3.700 50 30 EHEARN C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)NC1=S ZINC000004954933 210338735 /nfs/dbraw/zinc/33/87/35/210338735.db2.gz ZFFJYWRVGNLCCW-UVTDQMKNSA-N 0 0 344.823 3.844 50 30 EHEARN C=CCn1cc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(C)n1 ZINC000097425652 219023508 /nfs/dbraw/zinc/02/35/08/219023508.db2.gz DTSHCGJBAQHQCD-LJQANCHMSA-N 0 0 335.455 3.981 50 30 EHEARN C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1C ZINC000006701158 258044065 /nfs/dbraw/zinc/04/40/65/258044065.db2.gz LSYLRNLEQMAJQN-UHFFFAOYSA-N 0 0 344.484 3.702 50 30 EHEARN C=CCN=C1NN=C(c2ccc(NC(=O)CCCCC)cc2)CS1 ZINC000006591936 258044651 /nfs/dbraw/zinc/04/46/51/258044651.db2.gz VRGYFTFMIBYCNU-UHFFFAOYSA-N 0 0 344.484 3.788 50 30 EHEARN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000328587975 258046054 /nfs/dbraw/zinc/04/60/54/258046054.db2.gz KTAUEEFNSROIGA-UHFFFAOYSA-N 0 0 347.374 3.704 50 30 EHEARN COc1cccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c1 ZINC000013768719 258001813 /nfs/dbraw/zinc/00/18/13/258001813.db2.gz KAJBBSYNJBADOW-ZDLGFXPLSA-N 0 0 336.343 3.627 50 30 EHEARN Cc1noc(C2CC2)c1NC(=O)NC(C)(C)COCc1ccccc1 ZINC000330032210 258002188 /nfs/dbraw/zinc/00/21/88/258002188.db2.gz JLWKTNXDPXJRSE-UHFFFAOYSA-N 0 0 343.427 3.991 50 30 EHEARN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000330033303 258002680 /nfs/dbraw/zinc/00/26/80/258002680.db2.gz YXTLEDIVUNNCBL-HZPDHXFCSA-N 0 0 339.439 3.636 50 30 EHEARN CNC(=O)c1cc(Oc2ccccc2NC(=O)[C@H]2CC2(C)C)ccn1 ZINC000330031795 258003182 /nfs/dbraw/zinc/00/31/82/258003182.db2.gz DLSJIUAYJIZQDS-CYBMUJFWSA-N 0 0 339.395 3.868 50 30 EHEARN C=C(C)c1cccc(C(C)(C)NC(=O)NCCCn2ccnc2)c1 ZINC000101278770 258047039 /nfs/dbraw/zinc/04/70/39/258047039.db2.gz NBLGCAWKFSSVSS-UHFFFAOYSA-N 0 0 326.444 3.541 50 30 EHEARN C=CCNc1nnc(SCC(=O)c2ccc(Cl)s2)s1 ZINC000007988911 258018096 /nfs/dbraw/zinc/01/80/96/258018096.db2.gz ZCWFDRRQFWTHRT-UHFFFAOYSA-N 0 0 331.875 3.826 50 30 EHEARN N#Cc1ccc(NC(=O)N(Cc2cccnc2)C2CCCCC2)cn1 ZINC000299793465 258098826 /nfs/dbraw/zinc/09/88/26/258098826.db2.gz GPIUVJNWIKBPPW-UHFFFAOYSA-N 0 0 335.411 3.715 50 30 EHEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3ccccc3N)C2)cc1OC ZINC000017122775 258056767 /nfs/dbraw/zinc/05/67/67/258056767.db2.gz NBXFBUYOXCGLQI-AWEZNQCLSA-N 0 0 338.407 3.729 50 30 EHEARN CC(=O)c1c(C)nc(C)nc1SCCOc1ccc(CC#N)cc1 ZINC000071899333 258064060 /nfs/dbraw/zinc/06/40/60/258064060.db2.gz XELUALKANSDGMW-UHFFFAOYSA-N 0 0 341.436 3.533 50 30 EHEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000253618525 258073464 /nfs/dbraw/zinc/07/34/64/258073464.db2.gz ZESRJSPZRDMNHY-ZPMOIGASSA-N 0 0 330.468 3.696 50 30 EHEARN C=CCN(Cc1ccccc1OCC)C(=O)Cc1nc(C)sc1C ZINC000055107462 518788249 /nfs/dbraw/zinc/78/82/49/518788249.db2.gz IDJYCNFLHRXSML-UHFFFAOYSA-N 0 0 344.480 3.916 50 30 EHEARN C=CCn1c([C@H](CCCC)C[C@@H](O)COCCC)n[nH]c1=S ZINC000005737237 519260198 /nfs/dbraw/zinc/26/01/98/519260198.db2.gz SFTZVLUIESDDRA-ZIAGYGMSSA-N 0 0 327.494 3.578 50 30 EHEARN CC(N=Nc1nc2ccccc2n1C)N=Nc1nc2ccccc2n1C ZINC000005341225 519349623 /nfs/dbraw/zinc/34/96/23/519349623.db2.gz HXBMICHMSPKKDT-KLBOWLGPSA-N 0 0 346.398 3.989 50 30 EHEARN CC/C(=N\N=C1/S[C@H](C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000004754752 520178427 /nfs/dbraw/zinc/17/84/27/520178427.db2.gz IOQGCFQJRDDVBG-HDZGLOTHSA-N 0 0 341.436 3.914 50 30 EHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccccc2OC)c1C ZINC000006865238 521357885 /nfs/dbraw/zinc/35/78/85/521357885.db2.gz ZJSLXRXMAIQBRO-ZHACJKMWSA-N 0 0 327.380 3.713 50 30 EHEARN COc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)c(OC)c1 ZINC000003997984 523402059 /nfs/dbraw/zinc/40/20/59/523402059.db2.gz SSDJNESHQBSBBC-UXBLZVDNSA-N 0 0 328.364 3.617 50 30 biogenic EHEARN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCc3ccccc32)c1 ZINC000015259452 524407684 /nfs/dbraw/zinc/40/76/84/524407684.db2.gz HWWVYXQQMTZXIK-UHFFFAOYSA-N 0 0 333.435 3.613 50 30 EHEARN C[C@@]1(O)CCCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000328588070 525878861 /nfs/dbraw/zinc/87/88/61/525878861.db2.gz PJVADDOSZCITQX-QGZVFWFLSA-N 0 0 337.489 3.973 50 30 EHEARN N#CCCN(C(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000003352700 526450296 /nfs/dbraw/zinc/45/02/96/526450296.db2.gz HFDRSERJSVFQNA-UHFFFAOYSA-N 0 0 339.782 3.537 50 30 EHEARN N#CCc1nccn1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000095438675 526487600 /nfs/dbraw/zinc/48/76/00/526487600.db2.gz OOUPGXZAIVCVSX-UHFFFAOYSA-N 0 0 346.390 3.770 50 30 EHEARN N#C[C@H](C(=O)CCCC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000048813225 526504436 /nfs/dbraw/zinc/50/44/36/526504436.db2.gz MCHUQELDBDRNRR-OAHLLOKOSA-N 0 0 349.365 3.931 50 30 EHEARN COc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000298502 536614712 /nfs/dbraw/zinc/61/47/12/536614712.db2.gz ARVFXJQWJCADQR-XSFVSMFZSA-N 0 0 329.831 3.505 50 30 EHEARN CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004488893 563503555 /nfs/dbraw/zinc/50/35/55/563503555.db2.gz CRITUTYZSQLKSZ-AWEZNQCLSA-N 0 0 327.424 3.722 50 30 EHEARN C=C(C)CN(CC)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000071903008 563556189 /nfs/dbraw/zinc/55/61/89/563556189.db2.gz DNKFIWVFLQJBIN-UHFFFAOYSA-N 0 0 349.228 3.741 50 30 EHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000006022135 563557492 /nfs/dbraw/zinc/55/74/92/563557492.db2.gz HPJKINDEXYULTN-INIZCTEOSA-N 0 0 326.783 3.851 50 30 EHEARN CC(C)c1nccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000071909546 563575097 /nfs/dbraw/zinc/57/50/97/563575097.db2.gz DZFDUMBDMDWAHM-KRWDZBQOSA-N 0 0 337.427 3.575 50 30 EHEARN CC(C)CC(=O)Nc1ccc(C(=O)COc2ccccc2C#N)cc1 ZINC000007981401 563649686 /nfs/dbraw/zinc/64/96/86/563649686.db2.gz QZHLHBKDXPQWDE-UHFFFAOYSA-N 0 0 336.391 3.805 50 30 EHEARN Cc1cc(C)c2nc(NC(N)=NC(=O)Nc3ccccc3)nc(C)c2c1 ZINC000012591698 563664200 /nfs/dbraw/zinc/66/42/00/563664200.db2.gz AWZMRBBDLOSDIT-UHFFFAOYSA-N 0 0 348.410 3.514 50 30 aggregator EHEARN CCOc1ccc(NC=CC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000013483043 563699614 /nfs/dbraw/zinc/69/96/14/563699614.db2.gz KLPQRLZAPZKXRQ-ZHACJKMWSA-N 0 0 342.351 3.811 50 30 EHEARN CC(=[NH+]C1CCCC1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000013719618 563716097 /nfs/dbraw/zinc/71/60/97/563716097.db2.gz USDVXIYQQBUUOD-YBFXNURJSA-N 0 0 340.452 3.835 50 30 EHEARN COc1ccc(/C=C2/COC/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000013856409 563726851 /nfs/dbraw/zinc/72/68/51/563726851.db2.gz ADOXGRPZVZXSKQ-WHYMJUELSA-N 0 0 336.387 3.770 50 30 EHEARN COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N\OC(=O)c1ccccc1 ZINC000015133462 563778720 /nfs/dbraw/zinc/77/87/20/563778720.db2.gz YNKZOFXBOFGRBG-XDJHFCHBSA-N 0 0 340.335 3.501 50 30 EHEARN Cc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C#N)c1C ZINC000004570298 563783232 /nfs/dbraw/zinc/78/32/32/563783232.db2.gz QDWVHEFFHVBHLO-VMPITWQZSA-N 0 0 327.365 3.797 50 30 EHEARN CC(C)(C)c1ccc(C(=O)N=C(N)Nc2nc3ccccc3o2)cc1 ZINC000015768909 563792224 /nfs/dbraw/zinc/79/22/24/563792224.db2.gz MYEAKZSSXLFJJK-UHFFFAOYSA-N 0 0 336.395 3.692 50 30 aggregator EHEARN COc1ccc(/C=C2\S/C(=N\c3cccc(OC)c3)NC2=O)cc1 ZINC000016770018 563822887 /nfs/dbraw/zinc/82/28/87/563822887.db2.gz GNUKHLUYUMJFIS-YBEGLDIGSA-N 0 0 340.404 3.595 50 30 EHEARN C=C(Cl)C[S@@](=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000069876210 563866512 /nfs/dbraw/zinc/86/65/12/563866512.db2.gz AZJIFZPPQCEOFH-NRFANRHFSA-N 0 0 341.841 3.540 50 30 EHEARN C#CCN(C(=O)N[C@H](COCC(C)C)c1ccco1)C1CCCCC1 ZINC000072230649 563877352 /nfs/dbraw/zinc/87/73/52/563877352.db2.gz TVMBGVAKCKZCCQ-GOSISDBHSA-N 0 0 346.471 3.971 50 30 EHEARN N#CCCN(C(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccc1 ZINC000072281054 563904080 /nfs/dbraw/zinc/90/40/80/563904080.db2.gz RKKVZPBSYGIMNL-FMIVXFBMSA-N 0 0 331.375 3.549 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(Cl)cc1 ZINC000008039472 563921540 /nfs/dbraw/zinc/92/15/40/563921540.db2.gz PLXNSUUETAPGHE-UHFFFAOYSA-N 0 0 339.782 3.834 50 30 EHEARN COc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000057525026 563935694 /nfs/dbraw/zinc/93/56/94/563935694.db2.gz FZBVGLIVYNGUDP-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN Cc1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)n(CCC#N)n1 ZINC000058226812 563940376 /nfs/dbraw/zinc/94/03/76/563940376.db2.gz GGPNIHMTGMLPMX-UHFFFAOYSA-N 0 0 347.378 3.545 50 30 EHEARN CCN(C(C)=O)c1nc(/C=C2/Cc3c(cccc3Cl)C2=O)cs1 ZINC000058250298 563940996 /nfs/dbraw/zinc/94/09/96/563940996.db2.gz ARCUWAJYDZXFAF-XFFZJAGNSA-N 0 0 346.839 3.992 50 30 EHEARN C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000096453380 563953746 /nfs/dbraw/zinc/95/37/46/563953746.db2.gz DXLOXYUFERROMB-SNVBAGLBSA-N 0 0 331.301 3.793 50 30 EHEARN COc1ccc2cc([C@@H]3CN(c4ncccc4C#N)CCO3)ccc2c1 ZINC000071613753 563956957 /nfs/dbraw/zinc/95/69/57/563956957.db2.gz GRIFWMUKQCSFEF-FQEVSTJZSA-N 0 0 345.402 3.693 50 30 EHEARN CC[C@@H](CC#N)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000097096716 563967449 /nfs/dbraw/zinc/96/74/49/563967449.db2.gz NSNXIJMMYXAAEI-HNNXBMFYSA-N 0 0 336.395 3.753 50 30 EHEARN C[S@@](=O)c1ccc(CNc2cc(C#N)ccc2C(F)(F)F)cc1 ZINC000097163610 563968433 /nfs/dbraw/zinc/96/84/33/563968433.db2.gz UBTQNXNLORNSPS-QHCPKHFHSA-N 0 0 338.354 3.927 50 30 EHEARN C[C@@H]1CC[C@H](C)N1C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC000097235042 563970826 /nfs/dbraw/zinc/97/08/26/563970826.db2.gz DGNJAORZOJRFKX-GASCZTMLSA-N 0 0 334.423 3.578 50 30 EHEARN FC(F)(F)Oc1cc(Br)ccc1NC1=NCCS1 ZINC000095215901 563976689 /nfs/dbraw/zinc/97/66/89/563976689.db2.gz YBIQQGCDMMZZPN-UHFFFAOYSA-N 0 0 341.152 3.672 50 30 EHEARN CCCCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)cc1 ZINC000098009018 563982213 /nfs/dbraw/zinc/98/22/13/563982213.db2.gz CQWMXZZYZZCEOD-INIZCTEOSA-N 0 0 346.471 3.843 50 30 EHEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2cccc(C)c2C)c1 ZINC000098212456 563982245 /nfs/dbraw/zinc/98/22/45/563982245.db2.gz ZNDSTSCRMNKINH-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN Cc1nc(SCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl ZINC000000109040 563986518 /nfs/dbraw/zinc/98/65/18/563986518.db2.gz RMTRDJCQYPWYTO-UHFFFAOYSA-N 0 0 345.855 3.979 50 30 EHEARN COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000000191242 563988154 /nfs/dbraw/zinc/98/81/54/563988154.db2.gz YZUBXFIOKARBLM-UHFFFAOYSA-N 0 0 335.388 3.943 50 30 EHEARN COc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl ZINC000000224198 563988986 /nfs/dbraw/zinc/98/89/86/563988986.db2.gz YLSQBASPDMDNMC-REZTVBANSA-N 0 0 334.715 3.736 50 30 EHEARN CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(OC)cc2)n1 ZINC000000382155 563991927 /nfs/dbraw/zinc/99/19/27/563991927.db2.gz KCHILBJXRWZYCH-UHFFFAOYSA-N 0 0 341.436 3.645 50 30 EHEARN CC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000004954876 563993369 /nfs/dbraw/zinc/99/33/69/563993369.db2.gz HVFHBRLASUMCCI-NUOSEKPUSA-N 0 0 345.399 3.663 50 30 EHEARN CN(Cc1cc(Br)cs1)C(=O)c1cccc(C#N)c1 ZINC000044317998 563995080 /nfs/dbraw/zinc/99/50/80/563995080.db2.gz ZFIPSBUDCIJLME-UHFFFAOYSA-N 0 0 335.226 3.654 50 30 EHEARN Cc1ccc(Cl)c(S(=O)(=O)N(CCC#N)c2ccccc2)c1 ZINC000124522227 563995232 /nfs/dbraw/zinc/99/52/32/563995232.db2.gz UXHLZQCOPTZOPZ-UHFFFAOYSA-N 0 0 334.828 3.757 50 30 EHEARN O=C(/C=C/c1cccc(F)c1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000078728728 564000878 /nfs/dbraw/zinc/00/08/78/564000878.db2.gz FSSXSAKCJXFQLE-RMKNXTFCSA-N 0 0 343.373 3.822 50 30 EHEARN COc1ccc(OC)c(Sc2nc(C)c([N+](=O)[O-])c(C)c2C#N)c1 ZINC000000075446 564001057 /nfs/dbraw/zinc/00/10/57/564001057.db2.gz VRLVNJWSKBOFDQ-UHFFFAOYSA-N 0 0 345.380 3.647 50 30 EHEARN N#Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000005647069 564006976 /nfs/dbraw/zinc/00/69/76/564006976.db2.gz RRKVGDWVHKFVNS-YBEGLDIGSA-N 0 0 336.441 3.960 50 30 EHEARN COc1ccccc1[C@@H]1c2cc3c(cc2NC2=C1C(=O)CCC2)OCO3 ZINC000018196776 564018704 /nfs/dbraw/zinc/01/87/04/564018704.db2.gz MNDOUTCUEJHZRB-HXUWFJFHSA-N 0 0 349.386 3.988 50 30 EHEARN COc1cc2c(c(OC)c1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2 ZINC000018200526 564018733 /nfs/dbraw/zinc/01/87/33/564018733.db2.gz DOTXXQPIRBTTNG-GOSISDBHSA-N 0 0 336.391 3.663 50 30 EHEARN O=C(C=C1NC[C@@H](c2ccccc2)O1)c1ccc(Br)cc1 ZINC000106275583 564026328 /nfs/dbraw/zinc/02/63/28/564026328.db2.gz MSNXVVAKZDTMJS-IUPCOXQMSA-N 0 0 344.208 3.834 50 30 EHEARN Cc1ccc(C(=O)C=CNc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000044844269 564027473 /nfs/dbraw/zinc/02/74/73/564027473.db2.gz HCHZWSBJWLVZNN-ZHACJKMWSA-N 0 0 329.421 3.515 50 30 EHEARN Cc1csc(C(C#N)=C([O-])c2oc(Br)cc2C)n1 ZINC000048520484 564031913 /nfs/dbraw/zinc/03/19/13/564031913.db2.gz JUGKSRGMMFZPLX-QMMMGPOBSA-N 0 0 325.187 3.606 50 30 EHEARN CN(CC(=O)Nc1nncs1)Cc1cccc(Cl)c1Cl ZINC000048552537 564031956 /nfs/dbraw/zinc/03/19/56/564031956.db2.gz BFTDOPQVUFHDGD-UHFFFAOYSA-N 0 0 331.228 3.565 50 30 EHEARN N#Cc1cccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1 ZINC000024652370 564033175 /nfs/dbraw/zinc/03/31/75/564033175.db2.gz HUODPQPRJICGSZ-UHFFFAOYSA-N 0 0 336.782 3.709 50 30 EHEARN N#CCCCOc1cccc(NC(=O)[C@H]2CCCN2c2ccccc2)c1 ZINC000225589178 564048084 /nfs/dbraw/zinc/04/80/84/564048084.db2.gz JMTFLIODMURSDX-HXUWFJFHSA-N 0 0 349.434 3.977 50 30 EHEARN N#Cc1cc(F)c(N2CCC(NC(=O)CC3CCCC3)CC2)c(F)c1 ZINC000225594408 564051103 /nfs/dbraw/zinc/05/11/03/564051103.db2.gz CWXBIAHCKVJTPD-UHFFFAOYSA-N 0 0 347.409 3.502 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(C)c(F)c1 ZINC000012488246 564058047 /nfs/dbraw/zinc/05/80/47/564058047.db2.gz LZRMYLDMVCFOLL-UHFFFAOYSA-N 0 0 337.354 3.628 50 30 EHEARN CCc1cccc(N(C#N)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000083825628 564063522 /nfs/dbraw/zinc/06/35/22/564063522.db2.gz KXLPINAYGMJQLH-UHFFFAOYSA-N 0 0 329.363 3.658 50 30 EHEARN FC(F)(F)c1ccc(C#CCNc2ccc(-n3cncn3)cc2)cc1 ZINC000085271645 564072408 /nfs/dbraw/zinc/07/24/08/564072408.db2.gz GONNGOJGDYKTKL-UHFFFAOYSA-N 0 0 342.324 3.750 50 30 EHEARN C=CCC[C@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000075259738 564081231 /nfs/dbraw/zinc/08/12/31/564081231.db2.gz LEDVMICFVIMRJJ-RTBURBONSA-N 0 0 330.449 3.837 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccc(Cl)cc2o1 ZINC000006399515 564085539 /nfs/dbraw/zinc/08/55/39/564085539.db2.gz KAMZIODZKOPCLL-OAHLLOKOSA-N 0 0 337.832 3.628 50 30 EHEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 ZINC000036396909 564085902 /nfs/dbraw/zinc/08/59/02/564085902.db2.gz JOKXJTAFABVYBO-KPKJPENVSA-N 0 0 333.391 3.984 50 30 EHEARN Cc1ccc(NC(=O)c2cccc(Oc3cnc(C#N)cn3)c2)cc1 ZINC000123584888 564086608 /nfs/dbraw/zinc/08/66/08/564086608.db2.gz IDAGRDDXMHVNOL-UHFFFAOYSA-N 0 0 330.347 3.701 50 30 EHEARN Cc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000238923860 564087980 /nfs/dbraw/zinc/08/79/80/564087980.db2.gz PQWLYSBPFYMUTB-UHFFFAOYSA-N 0 0 327.859 3.800 50 30 EHEARN C=CCc1cccc(C=NN2C(=S)N=NC2C2CCCCC2)c1O ZINC000244718938 564088556 /nfs/dbraw/zinc/08/85/56/564088556.db2.gz LTSZEEOAFOURPH-UHFFFAOYSA-N 0 0 342.468 3.931 50 30 EHEARN CC(C)(C)C(=O)N1CCC(=NOCc2cccc3cccnc32)CC1 ZINC000054209331 564090693 /nfs/dbraw/zinc/09/06/93/564090693.db2.gz AJTBDHQUGNTSSQ-UHFFFAOYSA-N 0 0 339.439 3.776 50 30 EHEARN N#Cc1ccc(-c2ccc(OCC(=O)NC3(C#N)CCCC3)cc2)cc1 ZINC000006610912 564094522 /nfs/dbraw/zinc/09/45/22/564094522.db2.gz JYHLDPOGYYTVMM-UHFFFAOYSA-N 0 0 345.402 3.557 50 30 EHEARN C=CCn1c(C)nn(CN2CCCc3c(F)cc(F)cc32)c1=S ZINC000036398214 564100767 /nfs/dbraw/zinc/10/07/67/564100767.db2.gz URBHIUDMYKDAOA-UHFFFAOYSA-N 0 0 336.411 3.597 50 30 EHEARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000006908931 564101132 /nfs/dbraw/zinc/10/11/32/564101132.db2.gz FKTFDWJGSHTEGE-GFCCVEGCSA-N 0 0 336.420 3.862 50 30 EHEARN Cc1ccc(N(CCC#N)C(=O)c2cnc3ccccc3n2)cc1C ZINC000065531526 564106966 /nfs/dbraw/zinc/10/69/66/564106966.db2.gz JIESUMOYCOLOJO-UHFFFAOYSA-N 0 0 330.391 3.807 50 30 EHEARN C=CCCC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000065554575 564107575 /nfs/dbraw/zinc/10/75/75/564107575.db2.gz ANBHVLZYPMWALH-OAHLLOKOSA-N 0 0 340.423 3.813 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Br)c1O ZINC000016975926 564115879 /nfs/dbraw/zinc/11/58/79/564115879.db2.gz DLAHNQNXJOEKOL-SNAWJCMRSA-N 0 0 337.169 3.961 50 30 EHEARN CC(=NNC(=S)NC1CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000252474578 564118975 /nfs/dbraw/zinc/11/89/75/564118975.db2.gz HRSBUCUKBKEYEE-UHFFFAOYSA-N 0 0 333.457 3.905 50 30 EHEARN N#CC1(CCCSCc2cccc3c2OCCO3)CCOCC1 ZINC000252488909 564119430 /nfs/dbraw/zinc/11/94/30/564119430.db2.gz JBKSIZMOZJHLCI-UHFFFAOYSA-N 0 0 333.453 3.792 50 30 EHEARN CCOc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1OCC ZINC000007604993 564120872 /nfs/dbraw/zinc/12/08/72/564120872.db2.gz ANCXAHMHLFNWEH-UHFFFAOYSA-N 0 0 325.364 3.713 50 30 EHEARN CCc1cc(C#N)c(NC(=O)c2ccc(Br)cn2)s1 ZINC000170763376 564122543 /nfs/dbraw/zinc/12/25/43/564122543.db2.gz UPMMZHBEHFPHRN-UHFFFAOYSA-N 0 0 336.214 3.592 50 30 EHEARN C=C(Cl)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000008511845 564122573 /nfs/dbraw/zinc/12/25/73/564122573.db2.gz NJBSLALQFRVWMB-UHFFFAOYSA-N 0 0 326.874 3.718 50 30 EHEARN COc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000007790129 564123355 /nfs/dbraw/zinc/12/33/55/564123355.db2.gz VJELFRKZRMBAHK-UHFFFAOYSA-N 0 0 344.461 3.848 50 30 EHEARN C=C1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000033713550 564130140 /nfs/dbraw/zinc/13/01/40/564130140.db2.gz VRABBYPHXSPLAT-OTHWRCMBSA-N 0 0 344.495 3.796 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000055339148 564132578 /nfs/dbraw/zinc/13/25/78/564132578.db2.gz DQWXNZCSTPPYCH-KRWDZBQOSA-N 0 0 341.798 3.817 50 30 EHEARN CC(=O)[C@@]12C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1O2 ZINC000253530405 564132989 /nfs/dbraw/zinc/13/29/89/564132989.db2.gz AEJAEAUKXCTTKY-BRIMZJBHSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN Cc1cc(C)c(C#N)c(SC[C@H](O)CNc2ccc(Cl)cc2)n1 ZINC000000469653 564133280 /nfs/dbraw/zinc/13/32/80/564133280.db2.gz NFLDRIPYPXONII-OAHLLOKOSA-N 0 0 347.871 3.789 50 30 EHEARN COCCNc1oc(COc2ccc(-c3ccccc3)cc2)nc1C#N ZINC000002410202 564134666 /nfs/dbraw/zinc/13/46/66/564134666.db2.gz SGTPLYOJMWWDFR-UHFFFAOYSA-N 0 0 349.390 3.851 50 30 EHEARN N#Cc1ccc(NCc2cccnc2N2CCc3ccccc3C2)nc1 ZINC000067840572 564134924 /nfs/dbraw/zinc/13/49/24/564134924.db2.gz DSUQCVBZXFLPSU-UHFFFAOYSA-N 0 0 341.418 3.523 50 30 EHEARN N#Cc1cccc(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)n1 ZINC000067908306 564134963 /nfs/dbraw/zinc/13/49/63/564134963.db2.gz UZZHGIMHQFAYDN-UHFFFAOYSA-N 0 0 343.434 3.651 50 30 EHEARN N#Cc1ccc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)[nH]1 ZINC000154638905 564137170 /nfs/dbraw/zinc/13/71/70/564137170.db2.gz NSFDVYAPZPIYCH-UHFFFAOYSA-N 0 0 340.342 3.716 50 30 EHEARN N#C[C@@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000078787826 564137188 /nfs/dbraw/zinc/13/71/88/564137188.db2.gz NSRQYUCIKBBBIT-LBPRGKRZSA-N 0 0 348.387 3.698 50 30 EHEARN N#C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1ccsc1 ZINC000079806218 564138341 /nfs/dbraw/zinc/13/83/41/564138341.db2.gz GNTVNDKDPYDANM-NSHDSACASA-N 0 0 328.290 3.901 50 30 EHEARN Cc1cc(C)c2ncc(C#N)c(N3CCc4c(ncn4C4CC4)C3)c2c1 ZINC000095403216 564139534 /nfs/dbraw/zinc/13/95/34/564139534.db2.gz SRYXLDBQZLEDSI-UHFFFAOYSA-N 0 0 343.434 3.817 50 30 EHEARN CC[C@H](C)[C@H](NC(=O)Nc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000095440669 564140518 /nfs/dbraw/zinc/14/05/18/564140518.db2.gz VHMWKFNCOLRXHE-NHYWBVRUSA-N 0 0 349.406 3.575 50 30 EHEARN CC(C)Cc1nnc(NC(=O)CCn2ccc3ccc(F)cc32)[nH]1 ZINC000095474802 564141342 /nfs/dbraw/zinc/14/13/42/564141342.db2.gz PNKFLBOZCJHEHW-UHFFFAOYSA-N 0 0 329.379 3.775 50 30 EHEARN COc1ccccc1NC1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000096013747 564144826 /nfs/dbraw/zinc/14/48/26/564144826.db2.gz NZCOPRAJBRVRIE-UHFFFAOYSA-N 0 0 349.434 3.850 50 30 EHEARN N#Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)cn1 ZINC000096180232 564145829 /nfs/dbraw/zinc/14/58/29/564145829.db2.gz HLJGNFALVWCXEP-KSSFIOAISA-N 0 0 338.386 3.625 50 30 EHEARN CC(=O)N(C)c1nc(/C=C\C(=O)c2c[nH]c3cc(F)ccc32)cs1 ZINC000096315754 564146749 /nfs/dbraw/zinc/14/67/49/564146749.db2.gz GQCNMKRDSMOUSP-XQRVVYSFSA-N 0 0 343.383 3.642 50 30 EHEARN N#Cc1nc(-c2cccc(F)c2)oc1N1CCN(c2ccccc2)CC1 ZINC000096346503 564146903 /nfs/dbraw/zinc/14/69/03/564146903.db2.gz DFRWEFBQYNWITF-UHFFFAOYSA-N 0 0 348.381 3.679 50 30 EHEARN Cc1nc(CNC(=O)c2ccccc2Oc2ccccc2C#N)oc1C ZINC000097047214 564149311 /nfs/dbraw/zinc/14/93/11/564149311.db2.gz XVPYPMFPFJLUFH-UHFFFAOYSA-N 0 0 347.374 3.885 50 30 EHEARN COc1cccc(Cn2cc(-c3ccc(C)cc3)cc(C#N)c2=O)c1 ZINC000003133746 564155370 /nfs/dbraw/zinc/15/53/70/564155370.db2.gz BQKUTCWTOXUJAU-UHFFFAOYSA-N 0 0 330.387 3.752 50 30 EHEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1)CCCCC2 ZINC000003145700 564155469 /nfs/dbraw/zinc/15/54/69/564155469.db2.gz ZRTDZUWMEYJLLO-UHFFFAOYSA-N 0 0 337.448 3.953 50 30 EHEARN Cc1cc(C)c(C#N)c(SCc2nccn2CC(F)(F)F)n1 ZINC000057742797 564155609 /nfs/dbraw/zinc/15/56/09/564155609.db2.gz BPDBAMVZLVPSLY-UHFFFAOYSA-N 0 0 326.347 3.621 50 30 EHEARN CN(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C#N)cc1 ZINC000003449484 564158213 /nfs/dbraw/zinc/15/82/13/564158213.db2.gz FSHDBBIJEGJZKL-UHFFFAOYSA-N 0 0 349.217 3.902 50 30 EHEARN N#CCSc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000003572725 564159007 /nfs/dbraw/zinc/15/90/07/564159007.db2.gz ZJSVWNPQLKYZIE-UHFFFAOYSA-N 0 0 327.796 3.655 50 30 EHEARN N#Cc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000066687705 564163788 /nfs/dbraw/zinc/16/37/88/564163788.db2.gz RWMLVFUMHHMYBG-QGZVFWFLSA-N 0 0 344.773 3.564 50 30 EHEARN Cc1ccsc1CN(C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000008309944 564164179 /nfs/dbraw/zinc/16/41/79/564164179.db2.gz HWKDLFGJHYBSIF-UHFFFAOYSA-N 0 0 345.493 3.549 50 30 EHEARN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(C#N)cc1 ZINC000008393290 564165010 /nfs/dbraw/zinc/16/50/10/564165010.db2.gz TWHZNWKKIJOANT-UHFFFAOYSA-N 0 0 346.390 3.659 50 30 EHEARN N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccccn1 ZINC000067601442 564166197 /nfs/dbraw/zinc/16/61/97/564166197.db2.gz QQZCBSHQIZLXEL-CQSZACIVSA-N 0 0 334.297 3.789 50 30 EHEARN CC[C@H](OC)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068725505 564167667 /nfs/dbraw/zinc/16/76/67/564167667.db2.gz LMUDHIBCXZTDBN-RNCFNFMXSA-N 0 0 336.363 3.690 50 30 EHEARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 ZINC000069381321 564169066 /nfs/dbraw/zinc/16/90/66/564169066.db2.gz UOOWYAVNPZUVRJ-IBGZPJMESA-N 0 0 344.418 3.905 50 30 EHEARN CCOc1ccc(CCC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000069435642 564169448 /nfs/dbraw/zinc/16/94/48/564169448.db2.gz HTOMARKKULEDNF-UHFFFAOYSA-N 0 0 326.396 3.553 50 30 EHEARN Cc1csc(-c2cccc(NCC(=O)N[C@](C)(C#N)C(C)C)c2)n1 ZINC000069567911 564170551 /nfs/dbraw/zinc/17/05/51/564170551.db2.gz SDYQGJMXCJZHEK-GOSISDBHSA-N 0 0 342.468 3.585 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl ZINC000009155315 564170668 /nfs/dbraw/zinc/17/06/68/564170668.db2.gz GYMQBQGSASIWPZ-UHFFFAOYSA-N 0 0 325.549 3.819 50 30 EHEARN C#Cc1cccc(N(C(=O)c2ccc(F)c(NC(C)=O)c2)C(C)C)c1 ZINC000069700678 564171588 /nfs/dbraw/zinc/17/15/88/564171588.db2.gz WYYGFGYYKLFQTJ-UHFFFAOYSA-N 0 0 338.382 3.821 50 30 EHEARN CC(=O)c1ccccc1NCC(=O)Nc1ccccc1SCC#N ZINC000009314830 564172555 /nfs/dbraw/zinc/17/25/55/564172555.db2.gz YGZCDVLJFDXHCX-UHFFFAOYSA-N 0 0 339.420 3.555 50 30 EHEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccco3)C2)cc1 ZINC000009332007 564172767 /nfs/dbraw/zinc/17/27/67/564172767.db2.gz JORCBYHFMULZJL-IFXJQAMLSA-N 0 0 346.390 3.595 50 30 EHEARN Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2)nn1C(C)(C)C ZINC000069918754 564172786 /nfs/dbraw/zinc/17/27/86/564172786.db2.gz CZGHYJINXVVMOQ-OAHLLOKOSA-N 0 0 330.819 3.595 50 30 EHEARN C[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000009434993 564173723 /nfs/dbraw/zinc/17/37/23/564173723.db2.gz OBAYXSPGGAXNFA-MWIMKKNQSA-N 0 0 347.440 3.741 50 30 EHEARN Cc1noc(-c2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)n1 ZINC000077379574 564176669 /nfs/dbraw/zinc/17/66/69/564176669.db2.gz PPKJKNKSHFCDCQ-UHFFFAOYSA-N 0 0 349.394 3.726 50 30 EHEARN N#Cc1c(NC(=O)[C@H]2Cc3ccccc3O2)sc2c1CCCCC2 ZINC000078544019 564176975 /nfs/dbraw/zinc/17/69/75/564176975.db2.gz XHUNYPRAKXIYAD-MRXNPFEDSA-N 0 0 338.432 3.831 50 30 EHEARN COc1ccc(/C=C/C(=O)c2c(Cl)nc3sccn32)cc1O ZINC000078876763 1016583057 /nfs/dbraw/zinc/58/30/57/1016583057.db2.gz MQWAFJHZYCLOFP-DUXPYHPUSA-N 0 0 334.784 3.660 50 30 EHEARN COc1ncc(Br)cc1CN[C@H](C)c1cccc(C#N)c1 ZINC000595413966 1025368638 /nfs/dbraw/zinc/36/86/38/1025368638.db2.gz DMEYVICNZZOTAB-LLVKDONJSA-N 0 0 346.228 3.575 50 30 EHEARN NC(=NOCc1ccccc1Cl)c1cccc(NC(=O)C2CC2)c1 ZINC000054287975 1027922818 /nfs/dbraw/zinc/92/28/18/1027922818.db2.gz XQOLMKXCAHYZER-UHFFFAOYSA-N 0 0 343.814 3.526 50 30 EHEARN C[C@@H](ON=CC(=O)Nc1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000588574744 1029591557 /nfs/dbraw/zinc/59/15/57/1029591557.db2.gz RMOTVAKBXDIGKI-LLVKDONJSA-N 0 0 329.306 3.539 50 30 EHEARN Cc1nnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)s1 ZINC000096504082 1032005809 /nfs/dbraw/zinc/00/58/09/1032005809.db2.gz ABIMBUXZFDSSLV-OQLLNIDSSA-N 0 0 345.493 3.819 50 30 EHEARN Cc1cc(C=NN2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000254525583 1040274401 /nfs/dbraw/zinc/27/44/01/1040274401.db2.gz UQVKVEDNYIJKJR-UHFFFAOYSA-N 0 0 333.435 3.913 50 30 EHEARN O=C(NCc1cc2ccccc2s1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000330270882 1040807949 /nfs/dbraw/zinc/80/79/49/1040807949.db2.gz UZGIZAJIRZJOMR-CABCVRRESA-N 0 0 343.452 3.899 50 30 EHEARN N#Cc1cc(F)cc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)c1 ZINC000826768262 1131343272 /nfs/dbraw/zinc/34/32/72/1131343272.db2.gz WYVHKJZBVKRRBB-MRXNPFEDSA-N 0 0 340.354 3.507 50 30 EHEARN Cc1ccc([C@H](C)NC(=O)CC2=C(c3ccccc3)CCC2=O)cn1 ZINC000827801527 1131407127 /nfs/dbraw/zinc/40/71/27/1131407127.db2.gz QFVSDNMFDADHJE-HNNXBMFYSA-N 0 0 334.419 3.774 50 30 EHEARN C#CCCC1(CCC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)N=N1 ZINC000952880781 1137483198 /nfs/dbraw/zinc/48/31/98/1137483198.db2.gz IHDUKMPHPQZJLU-QWHCGFSZSA-N 0 0 329.366 3.827 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)N=N1 ZINC000952879515 1137483285 /nfs/dbraw/zinc/48/32/85/1137483285.db2.gz FDDHJKZDBHAOFB-SJLPKXTDSA-N 0 0 343.402 3.518 50 30 EHEARN O=C1C[C@H](c2ccccc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006819467 201700970 /nfs/dbraw/zinc/70/09/70/201700970.db2.gz BTNZQCZAXJRXJY-NVXWUHKLSA-N 0 0 335.378 3.830 50 30 EHEARN CCCCN(CC#Cc1ccccc1)C(=O)c1ccc(OC)c(O)c1 ZINC000055342324 214310683 /nfs/dbraw/zinc/31/06/83/214310683.db2.gz SUKUZAGIWPSPJJ-UHFFFAOYSA-N 0 0 337.419 3.695 50 30 EHEARN COc1cc(C#N)ccc1OCc1cc(Cl)cc2c1OCOC2 ZINC000007017165 201710329 /nfs/dbraw/zinc/71/03/29/201710329.db2.gz KOVJALGSSFDLMI-UHFFFAOYSA-N 0 0 331.755 3.666 50 30 EHEARN COc1ccc2[nH]c(=NN=C3C(=O)C=Cc4ccccc43)sc2c1 ZINC000100812138 219107893 /nfs/dbraw/zinc/10/78/93/219107893.db2.gz MIBZXTCVZMHWJL-LVZFUZTISA-N 0 0 335.388 3.717 50 30 EHEARN Cc1c2ccccc2oc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000009457702 201778171 /nfs/dbraw/zinc/77/81/71/201778171.db2.gz NQJIBNWJLZFQFB-ZDUSSCGKSA-N 0 0 348.358 3.797 50 30 EHEARN Cn1c(Cc2cccs2)nnc1SCc1ccc(C#N)cc1F ZINC000010892181 201804383 /nfs/dbraw/zinc/80/43/83/201804383.db2.gz HIQZTASQQULSJX-UHFFFAOYSA-N 0 0 344.440 3.770 50 30 EHEARN N#C[C@H](NC(=O)CCc1ccccn1)c1cccc(Cl)c1Cl ZINC000066392338 215037769 /nfs/dbraw/zinc/03/77/69/215037769.db2.gz YAIZNCQLPLKGNX-AWEZNQCLSA-N 0 0 334.206 3.702 50 30 EHEARN C#CCSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C ZINC000003469865 210048744 /nfs/dbraw/zinc/04/87/44/210048744.db2.gz IJOYYGFIORIFJG-UHFFFAOYSA-N 0 0 326.450 3.639 50 30 EHEARN COc1ccc2c(c1)OCC/C2=N\OC(=O)c1ccccc1Cl ZINC000015745692 201962541 /nfs/dbraw/zinc/96/25/41/201962541.db2.gz IYAQWWIHPHCIJN-XDJHFCHBSA-N 0 0 331.755 3.692 50 30 EHEARN Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1C ZINC000103504445 219309398 /nfs/dbraw/zinc/30/93/98/219309398.db2.gz GLLPOUNQDZWMRO-CQSZACIVSA-N 0 0 326.783 3.918 50 30 EHEARN COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)c2C#N)cc1 ZINC000019832262 202022997 /nfs/dbraw/zinc/02/29/97/202022997.db2.gz PDBRHLFADNWLRZ-UHFFFAOYSA-N 0 0 346.346 3.786 50 30 EHEARN COc1ccc(OC)c(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)c1 ZINC000020037151 202030838 /nfs/dbraw/zinc/03/08/38/202030838.db2.gz UZEZTMKOACPCAL-GDNBJRDFSA-N 0 0 343.766 3.702 50 30 EHEARN N#CCN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000023104659 202098219 /nfs/dbraw/zinc/09/82/19/202098219.db2.gz NQYLQEHUNIOBAQ-UHFFFAOYSA-N 0 0 335.190 3.929 50 30 EHEARN CC(C)C(=O)Nc1cccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000024211589 202113565 /nfs/dbraw/zinc/11/35/65/202113565.db2.gz VKBIKJKRYXRAOK-UHFFFAOYSA-N 0 0 338.367 3.673 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1cc3c(c(Cl)c1)OCO3)CO2 ZINC000025524571 202132968 /nfs/dbraw/zinc/13/29/68/202132968.db2.gz MXDXCCXHONTBQB-NYYWCZLTSA-N 0 0 344.750 3.736 50 30 EHEARN C[NH+](C)[C@@H](CNc1oc(-c2cccs2)nc1C#N)c1ccccc1 ZINC000027991216 202163417 /nfs/dbraw/zinc/16/34/17/202163417.db2.gz GZGSPCBLOFMZHH-HNNXBMFYSA-N 0 0 338.436 3.990 50 30 EHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000040049488 202167213 /nfs/dbraw/zinc/16/72/13/202167213.db2.gz KQLVKHIPOSDENH-UHFFFAOYSA-N 0 0 343.342 3.642 50 30 EHEARN COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc(Cl)cc1 ZINC000040128219 202172282 /nfs/dbraw/zinc/17/22/82/202172282.db2.gz SDDCDAQWRORZAK-UHFFFAOYSA-N 0 0 345.782 3.985 50 30 EHEARN Cc1nc(C#N)c(N=NCc2c[nH]c3ccc(Br)cc23)o1 ZINC000032659598 202229969 /nfs/dbraw/zinc/22/99/69/202229969.db2.gz AYUQYKNCUUMOLH-WSVATBPTSA-N 0 0 344.172 3.545 50 30 EHEARN CC(=O)c1sc(N=NCc2cccc(Br)c2)nc1C ZINC000032653925 202230364 /nfs/dbraw/zinc/23/03/64/202230364.db2.gz RIHROQGWMABOMI-CHHVJCJISA-N 0 0 338.230 3.863 50 30 aggregator EHEARN C=CCn1c(N)c(C(=O)Nc2ccccc2Cl)sc1=S ZINC000032952432 212880447 /nfs/dbraw/zinc/88/04/47/212880447.db2.gz WGCOOGHXEYRGRF-UHFFFAOYSA-N 0 0 325.846 3.953 50 30 EHEARN Cc1sc(C2=C(N)N(c3ccccc3)CC2=O)nc1-c1ccccc1 ZINC000034770107 202275923 /nfs/dbraw/zinc/27/59/23/202275923.db2.gz LQBLPPJXRIPXNF-UHFFFAOYSA-N 0 0 347.443 3.835 50 30 EHEARN COc1cc(F)ccc1C(=O)/C=C1\C(=O)Nc2c1cccc2Cl ZINC000035686354 202308369 /nfs/dbraw/zinc/30/83/69/202308369.db2.gz VRMDCJUFHLXYOR-WQLSENKSSA-N 0 0 331.730 3.706 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000076590439 202389392 /nfs/dbraw/zinc/38/93/92/202389392.db2.gz LIZASRPAEPVWCN-UHFFFAOYSA-N 0 0 336.391 3.848 50 30 EHEARN C=CCOc1ccc(Oc2cc(C(F)(F)F)nc3ncnn32)cc1 ZINC000078559370 201188040 /nfs/dbraw/zinc/18/80/40/201188040.db2.gz OUZLSMOOEOZFEV-UHFFFAOYSA-N 0 0 336.273 3.500 50 30 EHEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000001700135 201358505 /nfs/dbraw/zinc/35/85/05/201358505.db2.gz WKAVAGKRWFGIEA-DADBAOPHSA-N 0 0 328.452 3.903 50 30 biogenic EHEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1ccco1 ZINC000002445091 201358526 /nfs/dbraw/zinc/35/85/26/201358526.db2.gz LGVPGNXEZJDHJJ-BOPFTXTBSA-N 0 0 325.364 3.587 50 30 biogenic EHEARN Cc1c(C(=O)C=Cc2c[nH]nc2C(C)(C)C)nnn1-c1ccc(C)cc1 ZINC000096401848 201376555 /nfs/dbraw/zinc/37/65/55/201376555.db2.gz IHOLZOPQOAHMEM-FLIBITNWSA-N 0 0 349.438 3.801 50 30 EHEARN Cc1cc(C)c(C)c(SCc2cc(=O)n3ncc(C#N)c3[nH]2)c1C ZINC000048272458 202596194 /nfs/dbraw/zinc/59/61/94/202596194.db2.gz CNSXHDZMZKOKNN-UHFFFAOYSA-N 0 0 338.436 3.833 50 30 EHEARN COc1cc(CN(C)C(=O)Nc2cccc(C#N)c2)ccc1SC ZINC000058209007 202743084 /nfs/dbraw/zinc/74/30/84/202743084.db2.gz DVAWFDYLECNYJL-UHFFFAOYSA-N 0 0 341.436 3.953 50 30 EHEARN Cc1ccc(C)c(NC(=O)CSCCOc2ccc(C#N)cc2)c1 ZINC000023415103 212374931 /nfs/dbraw/zinc/37/49/31/212374931.db2.gz DHJMNJZHBCDSEL-UHFFFAOYSA-N 0 0 340.448 3.926 50 30 EHEARN CCN(C(C)=O)c1nc(/C=C2\CSc3ccccc3C2=O)cs1 ZINC000058381725 202762987 /nfs/dbraw/zinc/76/29/87/202762987.db2.gz TXTDRFIQJNGPGS-XYOKQWHBSA-N 0 0 344.461 3.888 50 30 EHEARN Cc1cccc(OCc2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)c1 ZINC000000108260 201435185 /nfs/dbraw/zinc/43/51/85/201435185.db2.gz LKFDEPSBDNIXSM-GJZGRUSLSA-N 0 0 325.412 3.916 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)s1 ZINC000000296654 201457639 /nfs/dbraw/zinc/45/76/39/201457639.db2.gz LEICLIPEAKWWBC-QGZVFWFLSA-N 0 0 345.464 3.834 50 30 EHEARN CCc1c(C)sc(NC(=O)c2cc3ccccc3oc2=O)c1C#N ZINC000002795770 201545859 /nfs/dbraw/zinc/54/58/59/201545859.db2.gz GRTMXZUHERCNHT-UHFFFAOYSA-N 0 0 338.388 3.849 50 30 EHEARN CC(=O)N1CC[C@H](Nc2cccc(F)c2C#N)c2ccc(F)cc2C1 ZINC000242324479 243016995 /nfs/dbraw/zinc/01/69/95/243016995.db2.gz ZBRJRKFHKJJEQQ-IBGZPJMESA-N 0 0 341.361 3.742 50 30 EHEARN COc1ccc(-c2cc(-c3ccc(OC)c(O)c3)c(C#N)c(N)n2)cc1 ZINC000067851893 202941342 /nfs/dbraw/zinc/94/13/42/202941342.db2.gz UCMYAJSFZWCWCC-UHFFFAOYSA-N 0 0 347.374 3.592 50 30 EHEARN Cc1ccc(C#N)cc1NC(=O)c1ccc(CSc2nc[nH]n2)cc1 ZINC000069350779 202989957 /nfs/dbraw/zinc/98/99/57/202989957.db2.gz DFOCLTIAEQVTQW-UHFFFAOYSA-N 0 0 349.419 3.529 50 30 EHEARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000069457422 203005246 /nfs/dbraw/zinc/00/52/46/203005246.db2.gz HLMZSAUSKBODDY-IBGZPJMESA-N 0 0 344.418 3.905 50 30 EHEARN Cc1ccc(C(=O)NC2CCN(c3ccc(Cl)cc3C#N)CC2)o1 ZINC000069670118 203036156 /nfs/dbraw/zinc/03/61/56/203036156.db2.gz KBTXCDWETNJICR-UHFFFAOYSA-N 0 0 343.814 3.512 50 30 EHEARN Cn1cc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c(-c2ccccc2)n1 ZINC000071746851 203105063 /nfs/dbraw/zinc/10/50/63/203105063.db2.gz IMSHIUREAFOIQJ-UHFFFAOYSA-N 0 0 340.390 3.598 50 30 EHEARN C[C@@H]1SCc2c1nc(N)c(C#N)c2-c1cccn1-c1ccccn1 ZINC000071764179 203110560 /nfs/dbraw/zinc/11/05/60/203110560.db2.gz YDLVHLZKSDNDEK-NSHDSACASA-N 0 0 333.420 3.696 50 30 EHEARN C[S@@](=O)Cc1cc(NCCOc2ccc(C#N)cc2)ccc1Cl ZINC000071913951 203148398 /nfs/dbraw/zinc/14/83/98/203148398.db2.gz MWCBQUOZWLHBSG-QHCPKHFHSA-N 0 0 348.855 3.581 50 30 EHEARN N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)nc1 ZINC000071920536 203152173 /nfs/dbraw/zinc/15/21/73/203152173.db2.gz LMIOLYMAUZZCAB-KRWDZBQOSA-N 0 0 333.370 3.824 50 30 EHEARN Cc1cc(C(F)(F)F)nc(Cn2ccnc2-c2ccccc2C#N)n1 ZINC000072169404 203181288 /nfs/dbraw/zinc/18/12/88/203181288.db2.gz QMUGEXBQGDDPPG-UHFFFAOYSA-N 0 0 343.312 3.587 50 30 EHEARN Cc1nn2c(nc(-c3ccccc3)cc2N2CCC(C#N)CC2)c1C ZINC000072407104 203216528 /nfs/dbraw/zinc/21/65/28/203216528.db2.gz ORAWPFIGYIPEIL-UHFFFAOYSA-N 0 0 331.423 3.753 50 30 EHEARN N#Cc1ccc(CNc2cc(-c3ccccc3)nc3ccnn32)cc1 ZINC000072411485 203217885 /nfs/dbraw/zinc/21/78/85/203217885.db2.gz CQSCIUOFNLYEJE-UHFFFAOYSA-N 0 0 325.375 3.880 50 30 EHEARN Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1OC1CCOCC1 ZINC000076018407 203330318 /nfs/dbraw/zinc/33/03/18/203330318.db2.gz WPANYWOPIFKMFT-UHFFFAOYSA-N 0 0 342.439 3.965 50 30 EHEARN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(CC#N)c2)C12CCCCC2 ZINC000076022531 203331595 /nfs/dbraw/zinc/33/15/95/203331595.db2.gz SSWFEWMWSHXABM-MOPGFXCFSA-N 0 0 340.467 3.953 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000091304651 203630336 /nfs/dbraw/zinc/63/03/36/203630336.db2.gz QOUURVXDQINOKI-MRXNPFEDSA-N 0 0 344.418 3.529 50 30 EHEARN COc1ccccc1N1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000019418424 212025625 /nfs/dbraw/zinc/02/56/25/212025625.db2.gz MWKQUGJROBJDFE-UHFFFAOYSA-N 0 0 341.842 3.542 50 30 EHEARN CCc1cc(C#N)ccc1NC(=O)N1CCCC[C@@H]1CCCOC ZINC000095531534 203761375 /nfs/dbraw/zinc/76/13/75/203761375.db2.gz FVPQNQNYTHDNLO-QGZVFWFLSA-N 0 0 329.444 3.934 50 30 EHEARN CC(=Nc1ccc(C)cc1)c1c(C)[n-]n(-c2nc3ccccc3[nH]2)c1=O ZINC000103573195 204083097 /nfs/dbraw/zinc/08/30/97/204083097.db2.gz HPUQRQRRTHOIBZ-FYJGNVAPSA-N 0 0 345.406 3.799 50 30 EHEARN COc1cc(/C=N/c2cc([N+](=O)[O-])ccc2C)c([N+](=O)[O-])cc1OC ZINC000103619677 204085166 /nfs/dbraw/zinc/08/51/66/204085166.db2.gz HMLLDDREBIUPOD-RQZCQDPDSA-N 0 0 345.311 3.579 50 30 EHEARN CC[C@H](C)/N=C\c1c(=O)n2cccc(C)c2nc1Nc1ccccc1 ZINC000102642185 204044594 /nfs/dbraw/zinc/04/45/94/204044594.db2.gz LGBHTVHMCNLCHI-MNAFEPAFSA-N 0 0 334.423 3.964 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102802150 204050859 /nfs/dbraw/zinc/05/08/59/204050859.db2.gz LBJONEPLHAELNI-UYTDBDHRSA-N 0 0 341.794 3.700 50 30 EHEARN C=CCNC(=O)c1cc2sccc2n1Cc1ccccc1OC ZINC000037526889 204286920 /nfs/dbraw/zinc/28/69/20/204286920.db2.gz NWLTTYUZLDRSDM-UHFFFAOYSA-N 0 0 326.421 3.676 50 30 EHEARN C=CCN(C(=O)c1cc(C)ncn1)c1nc(-c2ccccc2)cs1 ZINC000156811956 205124240 /nfs/dbraw/zinc/12/42/40/205124240.db2.gz BFENXTXLAKSGGZ-UHFFFAOYSA-N 0 0 336.420 3.741 50 30 EHEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=C/c1ccccc1[N+](=O)[O-])C3=O ZINC000005749490 205777314 /nfs/dbraw/zinc/77/73/14/205777314.db2.gz LVRIRTHNCLIGKK-OQLLNIDSSA-N 0 0 349.298 3.626 50 30 biogenic EHEARN C=CCN1c2cc(NC(=O)CC(C)(C)C)ccc2OCC(C)(C)C1=O ZINC000008959597 205889487 /nfs/dbraw/zinc/88/94/87/205889487.db2.gz UDSCINDRWOQOSS-UHFFFAOYSA-N 0 0 344.455 3.999 50 30 EHEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000012062922 211284321 /nfs/dbraw/zinc/28/43/21/211284321.db2.gz YGGZMKXIJDGORD-GOSISDBHSA-N 0 0 349.361 3.972 50 30 EHEARN C=CCCC(=O)N1CCC[C@](Cc2ccc(F)cc2)(C(=O)OCC)C1 ZINC000011838568 211254875 /nfs/dbraw/zinc/25/48/75/211254875.db2.gz SWRXPXQVMURBOM-HXUWFJFHSA-N 0 0 347.430 3.506 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000013005099 207271653 /nfs/dbraw/zinc/27/16/53/207271653.db2.gz QHACDISDFZPKFD-LLVKDONJSA-N 0 0 334.297 3.983 50 30 EHEARN C=CCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000005050170 210374210 /nfs/dbraw/zinc/37/42/10/210374210.db2.gz NZYKUUGZCFPXSC-UHFFFAOYSA-N 0 0 329.787 3.900 50 30 EHEARN C[C@H]1CCC[C@@H](OCc2nnc(COc3ccc(C#N)cc3)o2)C1 ZINC000521393739 257948783 /nfs/dbraw/zinc/94/87/83/257948783.db2.gz QXYDBCLCOQAIIR-XJKSGUPXSA-N 0 0 327.384 3.616 50 30 EHEARN Cc1n[nH]c(C)c1CCNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000328597052 258042424 /nfs/dbraw/zinc/04/24/24/258042424.db2.gz CXKLDQZBMKBSKI-UHFFFAOYSA-N 0 0 340.452 3.892 50 30 EHEARN COc1cc(NC(=O)N2CC[C@H]3CCCC[C@H]32)c(OC)c(C)c1OC ZINC000328597024 258042624 /nfs/dbraw/zinc/04/26/24/258042624.db2.gz COAXPEPPESXFSX-UKRRQHHQSA-N 0 0 348.443 3.831 50 30 EHEARN C#Cc1cccc(N(Cc2ccncc2)C(=O)CCc2ccco2)c1 ZINC000069348668 258005926 /nfs/dbraw/zinc/00/59/26/258005926.db2.gz QTUJUXQYWZRXRR-UHFFFAOYSA-N 0 0 330.387 3.822 50 30 EHEARN C/C(=N\OC(=O)c1ccccc1)c1csc(-c2cc(C)on2)n1 ZINC000000123842 258047151 /nfs/dbraw/zinc/04/71/51/258047151.db2.gz GQDFLDYTKCKFAT-WOJGMQOQSA-N 0 0 327.365 3.688 50 30 EHEARN C=CCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 ZINC000002460945 258016514 /nfs/dbraw/zinc/01/65/14/258016514.db2.gz ZAIMGSHBIDTWMH-UHFFFAOYSA-N 0 0 325.437 3.646 50 30 EHEARN N#CCC[C@@H](C#N)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000008941731 258053811 /nfs/dbraw/zinc/05/38/11/258053811.db2.gz HVCYBGOAACSJPB-NSHDSACASA-N 0 0 329.454 3.877 50 30 EHEARN C[C@@H]1CCC[C@H](/N=C2\NN=C(c3cccc([N+](=O)[O-])c3)CS2)[C@@H]1C ZINC000008762368 258053904 /nfs/dbraw/zinc/05/39/04/258053904.db2.gz AYHLQCBYPRKGOI-JMSVASOKSA-N 0 0 346.456 3.816 50 30 EHEARN Cc1ccc(C)c(C(=O)ONC(=N)c2cccc(Br)c2)c1 ZINC000012655360 258055070 /nfs/dbraw/zinc/05/50/70/258055070.db2.gz DXBAWDBSKODTTF-UHFFFAOYSA-N 0 0 347.212 3.543 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257346059 258073396 /nfs/dbraw/zinc/07/33/96/258073396.db2.gz PWCLWZOSAFOXFL-LOVDNMFISA-N 0 0 330.468 3.694 50 30 EHEARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000257346604 258073692 /nfs/dbraw/zinc/07/36/92/258073692.db2.gz VVSMJVQHDZUPIL-FWWKOUSWSA-N 0 0 344.451 3.629 50 30 EHEARN Cc1ccc(C(=O)NCc2cccc(C#N)c2)c(Br)c1 ZINC000123823446 222337507 /nfs/dbraw/zinc/33/75/07/222337507.db2.gz OCKHSTKHVFUSPQ-UHFFFAOYSA-N 0 0 329.197 3.559 50 30 EHEARN C=CCN(C[C@H]1CC(c2ccccc2)=NO1)C(=O)c1ccccc1F ZINC000006835302 518777062 /nfs/dbraw/zinc/77/70/62/518777062.db2.gz OIVSZOWGILCFDE-MRXNPFEDSA-N 0 0 338.382 3.647 50 30 EHEARN C=CCNC(=O)c1ccccc1NC(=O)CCCc1cccs1 ZINC000022614245 518939898 /nfs/dbraw/zinc/93/98/98/518939898.db2.gz SGHXFCKQKITLBN-UHFFFAOYSA-N 0 0 328.437 3.625 50 30 EHEARN C=CCNc1ccccc1C(=O)N(C)C[C@H]1CCN(c2ccccc2)C1 ZINC000055109076 518960479 /nfs/dbraw/zinc/96/04/79/518960479.db2.gz DPMDGDJGGAQFPQ-GOSISDBHSA-N 0 0 349.478 3.883 50 30 EHEARN CCCCCCCn1c(N)c(C(=O)OC)c2nc3ccccc3nc21 ZINC000003243660 520071684 /nfs/dbraw/zinc/07/16/84/520071684.db2.gz IVOYPIOFKJSOCX-UHFFFAOYSA-N 0 0 340.427 3.924 50 30 EHEARN CC[NH+](CC)CCC/C(=N\[O-])C(O)(c1ccccc1)c1ccccc1 ZINC000013556525 520589841 /nfs/dbraw/zinc/58/98/41/520589841.db2.gz ZELQRYJJSMLNTJ-LSDHQDQOSA-N 0 0 340.467 3.875 50 30 EHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1C ZINC000033922323 521375861 /nfs/dbraw/zinc/37/58/61/521375861.db2.gz ICFAPRRALSWAEH-YFHOEESVSA-N 0 0 342.351 3.613 50 30 EHEARN CCOc1ccccc1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000000303342 521514149 /nfs/dbraw/zinc/51/41/49/521514149.db2.gz VQZZKPPVLRSLIP-VAWYXSNFSA-N 0 0 327.380 3.911 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000071907601 526217130 /nfs/dbraw/zinc/21/71/30/526217130.db2.gz FKMBQBQTXXKHSW-CQSZACIVSA-N 0 0 326.371 3.779 50 30 EHEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000012904163 527636181 /nfs/dbraw/zinc/63/61/81/527636181.db2.gz XRDFYIVHQKPCPJ-ZHACJKMWSA-N 0 0 336.347 3.618 50 30 EHEARN N#Cc1ccccc1S(=O)(=O)Oc1ccc(Cl)cc1Cl ZINC000016090332 564079654 /nfs/dbraw/zinc/07/96/54/564079654.db2.gz AYQMWAUSQAGYRF-UHFFFAOYSA-N 0 0 328.176 3.633 50 30 EHEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000000094406 563223626 /nfs/dbraw/zinc/22/36/26/563223626.db2.gz LODJNFODNVTBNJ-RQZCQDPDSA-N 0 0 343.235 3.614 50 30 EHEARN N#C[C@H](Nc1ccc(I)cc1)c1ccccc1 ZINC000000102538 563226284 /nfs/dbraw/zinc/22/62/84/563226284.db2.gz SQHXNNHOERUWAE-AWEZNQCLSA-N 0 0 334.160 3.968 50 30 EHEARN COc1ccc(NC(=O)O/N=C/c2c(C)nn(C(C)(C)C)c2C)cc1 ZINC000000139956 563241960 /nfs/dbraw/zinc/24/19/60/563241960.db2.gz YLMACGWFMBYHMC-YBFXNURJSA-N 0 0 344.415 3.846 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1sccc1C ZINC000000148516 563245158 /nfs/dbraw/zinc/24/51/58/563245158.db2.gz WYXLNQJYPQLDTI-MRXNPFEDSA-N 0 0 345.464 3.834 50 30 EHEARN Cc1ccc(/C=N/NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000354348 563290492 /nfs/dbraw/zinc/29/04/92/563290492.db2.gz ISQIGZKHVAHODC-RQZCQDPDSA-N 0 0 343.235 3.614 50 30 EHEARN COc1ccc(C(=O)C=CNc2cc(Cl)ccc2O)cc1OC ZINC000000444511 563316426 /nfs/dbraw/zinc/31/64/26/563316426.db2.gz PYQQYYPSVJTUFY-BQYQJAHWSA-N 0 0 333.771 3.871 50 30 EHEARN O=C1c2ccccc2C2=NC(=O)S[C@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000001036763 563369613 /nfs/dbraw/zinc/36/96/13/563369613.db2.gz DPEFFYNBYWHJJP-MRXNPFEDSA-N 0 0 338.344 3.700 50 30 EHEARN Cc1nn(Cc2ccccc2)c(C)c1[C@@H](C#N)N1N=C(C)CC1(C)C ZINC000001430198 563388967 /nfs/dbraw/zinc/38/89/67/563388967.db2.gz PYRSKIFXCSBUJK-GOSISDBHSA-N 0 0 335.455 3.973 50 30 EHEARN O=C1c2ccccc2C(=O)C1=CNc1ccc(OC(F)(F)F)cc1 ZINC000002543511 563440260 /nfs/dbraw/zinc/44/02/60/563440260.db2.gz UBFSUYXYEGXLFV-UHFFFAOYSA-N 0 0 333.265 3.960 50 30 EHEARN CCOC(=O)c1c(C)[nH]nc1N=NCc1c(Cl)cccc1Cl ZINC000004344423 563500845 /nfs/dbraw/zinc/50/08/45/563500845.db2.gz MWHZSFPUXQWJOG-IDUWFGFVSA-N 0 0 341.198 3.648 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000006493583 563570012 /nfs/dbraw/zinc/57/00/12/563570012.db2.gz OMFNLFWKEFHWSF-OAHLLOKOSA-N 0 0 345.757 3.687 50 30 EHEARN N#CCC[C@H](C#N)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000012799724 563673413 /nfs/dbraw/zinc/67/34/13/563673413.db2.gz AKNOGCYBVJXMQW-CYBMUJFWSA-N 0 0 334.404 3.569 50 30 EHEARN O=C(NC1CCCCC1)O/N=C\c1ccc(Br)cc1 ZINC000016667762 563819706 /nfs/dbraw/zinc/81/97/06/563819706.db2.gz AWONIKSGHQXZJE-YBEGLDIGSA-N 0 0 325.206 3.842 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2Cl)cc1 ZINC000017016695 563828868 /nfs/dbraw/zinc/82/88/68/563828868.db2.gz SDPXEPWNURJHPO-HNNXBMFYSA-N 0 0 327.767 3.514 50 30 EHEARN C/C(=N/O)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000018032989 563847445 /nfs/dbraw/zinc/84/74/45/563847445.db2.gz IBELVYVTRSBECF-STZFKDTASA-N 0 0 334.375 3.717 50 30 EHEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccccc3N)C2)cc1OC ZINC000018175963 563850340 /nfs/dbraw/zinc/85/03/40/563850340.db2.gz NBXFBUYOXCGLQI-CQSZACIVSA-N 0 0 338.407 3.729 50 30 EHEARN C[C@@H](ON=C(N)c1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000072311198 563918281 /nfs/dbraw/zinc/91/82/81/563918281.db2.gz HHMSBAKOWKXUDW-GFCCVEGCSA-N 0 0 325.343 3.879 50 30 EHEARN CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000004618197 563932614 /nfs/dbraw/zinc/93/26/14/563932614.db2.gz SWZPNIOKNDNOCN-UHFFFAOYSA-N 0 0 325.437 3.945 50 30 EHEARN CC(C)(C)C1C/C(=C/c2csnn2)C(=O)/C(=C\c2csnn2)C1 ZINC000096307284 563933241 /nfs/dbraw/zinc/93/32/41/563933241.db2.gz JYPHZVYWYLDZDP-SQXCDDPUSA-N 0 0 346.481 3.882 50 30 EHEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000057524845 563935703 /nfs/dbraw/zinc/93/57/03/563935703.db2.gz XZUKIIVJHPAZHA-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN N#Cc1ccc(NCC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000011155665 563936359 /nfs/dbraw/zinc/93/63/59/563936359.db2.gz WMBUEXLOYSSNLF-HXUWFJFHSA-N 0 0 347.443 3.937 50 30 EHEARN CN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)C1(C#N)CCC1 ZINC000058294556 563941882 /nfs/dbraw/zinc/94/18/82/563941882.db2.gz UTDRJFLOKPHNKN-UHFFFAOYSA-N 0 0 343.814 3.832 50 30 EHEARN Cc1cc(NC(=O)c2cc3c(cccc3F)s2)n(CCC#N)n1 ZINC000058378438 563944251 /nfs/dbraw/zinc/94/42/51/563944251.db2.gz XNZVKSGVAKOFCE-UHFFFAOYSA-N 0 0 328.372 3.711 50 30 EHEARN CCc1c(C)sc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1C#N ZINC000096462874 563954265 /nfs/dbraw/zinc/95/42/65/563954265.db2.gz QPZINVSRPPUXPN-UHFFFAOYSA-N 0 0 333.344 3.790 50 30 EHEARN CC(C)c1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1 ZINC000096792613 563962414 /nfs/dbraw/zinc/96/24/14/563962414.db2.gz HFGHMZVUJHQDQO-WJDWOHSUSA-N 0 0 326.417 3.864 50 30 EHEARN C[C@H]1CC(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000097101957 563967722 /nfs/dbraw/zinc/96/77/22/563967722.db2.gz XXHGYJDPXOKMTM-JMHGQTNQSA-N 0 0 344.499 3.901 50 30 EHEARN N#Cc1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c(F)c1 ZINC000097229154 563970627 /nfs/dbraw/zinc/97/06/27/563970627.db2.gz NGMQSMSZYCHESV-UHFFFAOYSA-N 0 0 327.746 3.944 50 30 EHEARN CCc1nc(SCC(=O)Nc2ccc(OC)cc2)c(C#N)cc1C ZINC000000058476 563971091 /nfs/dbraw/zinc/97/10/91/563971091.db2.gz KYSJFPVAQWAEAL-UHFFFAOYSA-N 0 0 341.436 3.564 50 30 EHEARN Cn1ccnc1COc1ccc(/C=C2/COc3ccccc3C2=O)cc1 ZINC000585145714 563973530 /nfs/dbraw/zinc/97/35/30/563973530.db2.gz HKRJJLSWJMTXMQ-VBKFSLOCSA-N 0 0 346.386 3.658 50 30 EHEARN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2scnc2C2CC2)cc1 ZINC000127849104 563973723 /nfs/dbraw/zinc/97/37/23/563973723.db2.gz AXQWCIJRQLCERI-CQSZACIVSA-N 0 0 339.420 3.544 50 30 EHEARN C=C(C)COc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000008570594 563974261 /nfs/dbraw/zinc/97/42/61/563974261.db2.gz AJSICJXRYWFDNI-UHFFFAOYSA-N 0 0 325.364 3.665 50 30 EHEARN O=P(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F ZINC000100037014 563982299 /nfs/dbraw/zinc/98/22/99/563982299.db2.gz ZMQDTYVODWKHNT-UHFFFAOYSA-N 0 0 344.066 3.831 50 30 EHEARN N#Cc1ccc(OCCSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000014095765 563983199 /nfs/dbraw/zinc/98/31/99/563983199.db2.gz LVVPRIXKGPVNLB-UHFFFAOYSA-N 0 0 328.422 3.576 50 30 EHEARN C[C@H]1C(=O)N(Cc2ccc(C#N)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014095259 563983204 /nfs/dbraw/zinc/98/32/04/563983204.db2.gz VGNFPHJRCRUPFF-LBPRGKRZSA-N 0 0 339.782 3.569 50 30 EHEARN Cc1ccc([C@H]2Cc3c(C#N)sc([S@@](C)=O)c3C(=O)C2)cc1 ZINC000012367001 563984314 /nfs/dbraw/zinc/98/43/14/563984314.db2.gz HHIOQMNISFTYFQ-YTEVENLXSA-N 0 0 329.446 3.578 50 30 EHEARN CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000000222669 563988892 /nfs/dbraw/zinc/98/88/92/563988892.db2.gz GIEGIQNJZRTGNC-CQSZACIVSA-N 0 0 346.843 3.675 50 30 EHEARN O=C1N/C(=N\c2ccc(O)cc2)S[C@H]1Cc1cccc(Cl)c1 ZINC000011692765 563991151 /nfs/dbraw/zinc/99/11/51/563991151.db2.gz XJWVQTCOKDQXAC-AWEZNQCLSA-N 0 0 332.812 3.507 50 30 EHEARN COC(=O)c1sccc1/N=C/c1c(Cl)nc2sccn12 ZINC000100329101 563992242 /nfs/dbraw/zinc/99/22/42/563992242.db2.gz BXMGVUKFTKZOPA-MKMNVTDBSA-N 0 0 325.802 3.648 50 30 EHEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(Br)s1 ZINC000004997192 563993742 /nfs/dbraw/zinc/99/37/42/563993742.db2.gz FTSMIVINWQJNND-FLIBITNWSA-N 0 0 334.194 3.855 50 30 EHEARN Cc1nc(SCC(=O)NC2CCCCCC2)c(C#N)c(C)c1C ZINC000005172664 563999926 /nfs/dbraw/zinc/99/99/26/563999926.db2.gz UKOKBRPBUKOJRP-UHFFFAOYSA-N 0 0 331.485 3.810 50 30 EHEARN C[C@@H](ON=C(N)c1cccs1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000075147260 564000326 /nfs/dbraw/zinc/00/03/26/564000326.db2.gz NQUQEOBWIVVCAI-SECBINFHSA-N 0 0 348.815 3.850 50 30 EHEARN Cn1c(Cc2cccs2)nnc1SCc1ccc(C#N)cc1 ZINC000005579918 564005864 /nfs/dbraw/zinc/00/58/64/564005864.db2.gz ATTKONPGXWKGRG-UHFFFAOYSA-N 0 0 326.450 3.631 50 30 EHEARN C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1ccc(Br)cc1 ZINC000062580088 564006482 /nfs/dbraw/zinc/00/64/82/564006482.db2.gz YDOYXSYEMPERDY-WFASDCNBSA-N 0 0 340.261 3.998 50 30 EHEARN CC(C[C@@H]1CC(C)(C)OC1=O)N=Nc1nc(-c2ccccc2)cs1 ZINC000017249200 564011437 /nfs/dbraw/zinc/01/14/37/564011437.db2.gz SQMFKXYGJMHGHJ-MQMKENTISA-N 0 0 343.452 3.752 50 30 EHEARN Cc1ccc(OCC(=O)Nc2ccccc2C#N)c(Br)c1 ZINC000000142342 564014556 /nfs/dbraw/zinc/01/45/56/564014556.db2.gz JALFZXRFFNLVGC-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN C#CCn1c2ccccc2s/c1=N\C(=O)c1ccccc1Cl ZINC000100875166 564017009 /nfs/dbraw/zinc/01/70/09/564017009.db2.gz UNLCLWGMJKDLRP-ZPHPHTNESA-N 0 0 326.808 3.731 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@@H]1C=CCC1 ZINC000103259839 564021999 /nfs/dbraw/zinc/02/19/99/564021999.db2.gz IUUXBWWTOBBHDH-CHWSQXEVSA-N 0 0 346.814 3.661 50 30 EHEARN CCCc1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)cc2)s1 ZINC000103349526 564022117 /nfs/dbraw/zinc/02/21/17/564022117.db2.gz PRQJIHMJFJUEQK-CYBMUJFWSA-N 0 0 345.399 3.504 50 30 EHEARN CC(C)n1c(CNC(=O)c2ccc(N=[N+]=[N-])nc2)nc2ccccc21 ZINC000108518832 564028358 /nfs/dbraw/zinc/02/83/58/564028358.db2.gz HFEUDQDFXVYNMF-UHFFFAOYSA-N 0 0 335.371 3.884 50 30 EHEARN C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000096030121 564032296 /nfs/dbraw/zinc/03/22/96/564032296.db2.gz MASCESDECGBIBB-IRKCFBORSA-N 0 0 332.484 3.630 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000051454242 564033288 /nfs/dbraw/zinc/03/32/88/564033288.db2.gz WLYLQAUPBXHKIG-FQEVSTJZSA-N 0 0 342.402 3.997 50 30 EHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccsc2)C1=O ZINC000007332328 564034317 /nfs/dbraw/zinc/03/43/17/564034317.db2.gz PQNQQXQXBCAJLC-UVTDQMKNSA-N 0 0 341.388 3.575 50 30 EHEARN C=CCN1C(=O)S/C(=C\c2cccn2-c2ccc(F)cc2)C1=O ZINC000000981735 564053886 /nfs/dbraw/zinc/05/38/86/564053886.db2.gz UQHCVUMSDVWIAQ-PTNGSMBKSA-N 0 0 328.368 3.839 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257345244 564055812 /nfs/dbraw/zinc/05/58/12/564055812.db2.gz MSGQPOBWYUXEOQ-UDCXOBGGSA-N 0 0 332.484 3.727 50 30 EHEARN CCOc1cccc([C@@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000063323568 564057078 /nfs/dbraw/zinc/05/70/78/564057078.db2.gz SWFYQYZUUPPIIF-OAHLLOKOSA-N 0 0 337.423 3.860 50 30 EHEARN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000366866811 564057450 /nfs/dbraw/zinc/05/74/50/564057450.db2.gz SLMAEVFGJPIWAS-HQJJXPTPSA-N 0 0 341.455 3.660 50 30 EHEARN C[C@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C#N)c2C1 ZINC000004070069 564061745 /nfs/dbraw/zinc/06/17/45/564061745.db2.gz IKDVRAJXZHKNQP-JTQLQIEISA-N 0 0 341.392 3.905 50 30 EHEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2noc(C3CC3)n2)n1 ZINC000052889835 564063006 /nfs/dbraw/zinc/06/30/06/564063006.db2.gz SWAUPWJDTZRYTB-UHFFFAOYSA-N 0 0 340.330 3.833 50 30 EHEARN C=CC[C@H](NC(=O)/C=C/c1ccc(OC)cc1OC)c1ccncc1 ZINC000075612787 564064158 /nfs/dbraw/zinc/06/41/58/564064158.db2.gz LVNFRVGCYSHCDO-KOEDOTQGSA-N 0 0 338.407 3.546 50 30 EHEARN C=C(C)CN(CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000058086837 564065267 /nfs/dbraw/zinc/06/52/67/564065267.db2.gz NYBZCCGWYVYGDK-UHFFFAOYSA-N 0 0 336.233 3.897 50 30 EHEARN CCO[P@@](=O)(c1ccccc1)C1C(=O)C=C(C(C)(C)C)C(=O)C1=O ZINC000001421266 564066657 /nfs/dbraw/zinc/06/66/57/564066657.db2.gz QILIFOOKTOSGJM-DEOSSOPVSA-N 0 0 348.335 3.520 50 30 EHEARN C=CCN(CC=C)C(=O)c1ccc(OCCOc2ccccc2)cc1 ZINC000008105577 564072249 /nfs/dbraw/zinc/07/22/49/564072249.db2.gz WGTVCHSQOBBBMI-UHFFFAOYSA-N 0 0 337.419 3.959 50 30 EHEARN C=CCNc1ncnc2sc(C(=O)N3CCCC[C@@H]3C)c(C)c21 ZINC000014995522 564074222 /nfs/dbraw/zinc/07/42/22/564074222.db2.gz MSCRGNYLYVKLMK-NSHDSACASA-N 0 0 330.457 3.612 50 30 EHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2c(C)cc(C)cc2C)C1=O ZINC000000299884 564074542 /nfs/dbraw/zinc/07/45/42/564074542.db2.gz XASYZXRLRQZLEX-QFIPXVFZSA-N 0 0 349.430 3.605 50 30 EHEARN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O ZINC000000479377 564074570 /nfs/dbraw/zinc/07/45/70/564074570.db2.gz JQTCUTPANVYMOG-XDHOZWIPSA-N 0 0 349.434 3.790 50 30 EHEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccn1)Nc1ccccc1-2 ZINC000002073801 564074780 /nfs/dbraw/zinc/07/47/80/564074780.db2.gz HPKWYXUWCHCUMC-MRXNPFEDSA-N 0 0 349.419 3.715 50 30 EHEARN C#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000002350389 564074821 /nfs/dbraw/zinc/07/48/21/564074821.db2.gz QENRGFRSRMVBLJ-UHFFFAOYSA-N 0 0 338.457 3.661 50 30 EHEARN COc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000001512030 564075099 /nfs/dbraw/zinc/07/50/99/564075099.db2.gz BWZXZYMVLIFAML-UHFFFAOYSA-N 0 0 335.388 3.943 50 30 EHEARN N#Cc1cc2c(nc1SCC(=O)c1ccc(F)cc1)CCCC2 ZINC000015834487 564076177 /nfs/dbraw/zinc/07/61/77/564076177.db2.gz VPAJHWMJRLINNF-UHFFFAOYSA-N 0 0 326.396 3.946 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000264506966 564076771 /nfs/dbraw/zinc/07/67/71/564076771.db2.gz WWKGFCFFVOEHQK-LJQANCHMSA-N 0 0 333.435 3.834 50 30 EHEARN C[C@H](C#N)Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000006171188 564077220 /nfs/dbraw/zinc/07/72/20/564077220.db2.gz YHSDCWJSAKGUND-SNVBAGLBSA-N 0 0 345.811 3.695 50 30 EHEARN C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1 ZINC000027990795 564079222 /nfs/dbraw/zinc/07/92/22/564079222.db2.gz NLRNASAGWJQXTE-UHFFFAOYSA-N 0 0 339.326 3.693 50 30 EHEARN N#CCCN(CC1CCC1)C(=O)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000088429212 564079390 /nfs/dbraw/zinc/07/93/90/564079390.db2.gz CGPNRHZZZAAIGJ-UHFFFAOYSA-N 0 0 332.404 3.521 50 30 EHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)o1 ZINC000075286219 564081537 /nfs/dbraw/zinc/08/15/37/564081537.db2.gz HEJUPPBCDKEPJU-GOSISDBHSA-N 0 0 329.396 3.509 50 30 EHEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000006214025 564082981 /nfs/dbraw/zinc/08/29/81/564082981.db2.gz KMGOLHNLRCOCNC-UHFFFAOYSA-N 0 0 340.376 3.674 50 30 EHEARN N#C[C@]1(c2nc3ccccc3[nH]2)Cc2c(F)cccc2N2CCC[C@@H]21 ZINC000006315927 564084552 /nfs/dbraw/zinc/08/45/52/564084552.db2.gz HYZGUYCLLHUMPU-UYAOXDASSA-N 0 0 332.382 3.688 50 30 EHEARN Cc1ccc([C@H]2CC(=O)C[C@@H](c3ccc(C)cc3)[C@]2(C#N)C(N)=O)cc1 ZINC000245257473 564088657 /nfs/dbraw/zinc/08/86/57/564088657.db2.gz ZZPUNLAEKOTUBD-VTYHHJSWSA-N 0 0 346.430 3.529 50 30 EHEARN CCOc1cc(/C=C/C(=O)c2cnn(C)c2C)ccc1OC(F)F ZINC000006487520 564090185 /nfs/dbraw/zinc/09/01/85/564090185.db2.gz CRYQGBWSXWGNOU-FNORWQNLSA-N 0 0 336.338 3.625 50 30 EHEARN C=C(C)CN(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000347868321 564090427 /nfs/dbraw/zinc/09/04/27/564090427.db2.gz DEJQIKNSLAOOKS-UHFFFAOYSA-N 0 0 335.329 3.714 50 30 EHEARN CCOc1cccc(C2N=NC(=S)N2N=CC=Cc2ccco2)c1 ZINC000005900752 564093341 /nfs/dbraw/zinc/09/33/41/564093341.db2.gz WKEWHCITQNDFLY-HGBXGJOCSA-N 0 0 340.408 3.773 50 30 EHEARN Cc1ccc(NC(=S)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000013111687 564099339 /nfs/dbraw/zinc/09/93/39/564099339.db2.gz UXEHSJUTAGYFIT-UHFFFAOYSA-N 0 0 348.815 3.877 50 30 EHEARN C[C@@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000007004067 564102931 /nfs/dbraw/zinc/10/29/31/564102931.db2.gz DYUUZPCWQQGXJC-OAHLLOKOSA-N 0 0 334.423 3.598 50 30 EHEARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)cc2s1 ZINC000007242108 564105915 /nfs/dbraw/zinc/10/59/15/564105915.db2.gz GQFITIUQXNJYFK-LLVKDONJSA-N 0 0 336.420 3.916 50 30 EHEARN CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266950 564106145 /nfs/dbraw/zinc/10/61/45/564106145.db2.gz SQHLDMLCLOJAFO-CQSZACIVSA-N 0 0 339.464 3.739 50 30 EHEARN N#Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000007408880 564108096 /nfs/dbraw/zinc/10/80/96/564108096.db2.gz ATQJVKMBCZFQRJ-UHFFFAOYSA-N 0 0 349.371 3.663 50 30 EHEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000007408898 564108101 /nfs/dbraw/zinc/10/81/01/564108101.db2.gz GBEVWBINCNTNNY-UHFFFAOYSA-N 0 0 349.371 3.663 50 30 EHEARN CCOc1ccc2cc(C(=O)N(CCC#N)Cc3cccnc3)[nH]c2c1 ZINC000065607361 564108220 /nfs/dbraw/zinc/10/82/20/564108220.db2.gz IVOXKNYNWSDFJY-UHFFFAOYSA-N 0 0 348.406 3.518 50 30 EHEARN C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)COc1ccc(CC#N)cc1 ZINC000076020811 564114592 /nfs/dbraw/zinc/11/45/92/564114592.db2.gz HNJMKERXZPJQJC-PBHICJAKSA-N 0 0 340.448 3.598 50 30 EHEARN C#Cc1cccc(N(Cc2ccncc2)C(=O)CCc2ccoc2)c1 ZINC000193545205 564119644 /nfs/dbraw/zinc/11/96/44/564119644.db2.gz IWNZFNJULVXDSV-UHFFFAOYSA-N 0 0 330.387 3.822 50 30 EHEARN N#Cc1cn(CCCCCF)c2ccc(Br)cc2c1=O ZINC000252500471 564119813 /nfs/dbraw/zinc/11/98/13/564119813.db2.gz SWGXKKUOKPAKCW-UHFFFAOYSA-N 0 0 337.192 3.775 50 30 EHEARN COc1ccc(C(C)=NN2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000252640393 564124643 /nfs/dbraw/zinc/12/46/43/564124643.db2.gz YSYLWSXFLHIUGF-UHFFFAOYSA-N 0 0 337.467 3.545 50 30 EHEARN COc1ccc(C=NNc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000252643179 564124722 /nfs/dbraw/zinc/12/47/22/564124722.db2.gz ZTDMUEPMXUFHQI-UHFFFAOYSA-N 0 0 328.353 3.659 50 30 EHEARN Cc1csc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1Cl ZINC000253427774 564131253 /nfs/dbraw/zinc/13/12/53/564131253.db2.gz ANJQWMSMBYQURG-CQSZACIVSA-N 0 0 346.839 3.795 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)OCO4)sc2C1 ZINC000000035588 564132729 /nfs/dbraw/zinc/13/27/29/564132729.db2.gz SSTSMHZXUNYWLC-JTQLQIEISA-N 0 0 340.404 3.726 50 30 EHEARN N#Cc1cccc(N2CCC(CO)(CCCc3ccccc3)CC2)n1 ZINC000067868549 564134926 /nfs/dbraw/zinc/13/49/26/564134926.db2.gz FCODHYPZDINLOC-UHFFFAOYSA-N 0 0 335.451 3.555 50 30 EHEARN Cc1cc(C)c(C#N)c(OCC(=O)c2ccc(Br)cc2)n1 ZINC000013213360 564136118 /nfs/dbraw/zinc/13/61/18/564136118.db2.gz KYSGIYCYZXKHIP-UHFFFAOYSA-N 0 0 345.196 3.594 50 30 EHEARN N#Cc1ccccc1COc1cccc(C(=O)Nc2ncccn2)c1 ZINC000328591661 564136725 /nfs/dbraw/zinc/13/67/25/564136725.db2.gz ICNTYFNJNJAMGL-UHFFFAOYSA-N 0 0 330.347 3.564 50 30 EHEARN COc1cc(C(=O)N(CCC#N)Cc2ccco2)cc(Cl)c1OC ZINC000078943824 564137428 /nfs/dbraw/zinc/13/74/28/564137428.db2.gz YZXNUUDXJKCBQJ-UHFFFAOYSA-N 0 0 348.786 3.506 50 30 EHEARN CCS(=O)(=O)c1c(Cl)cccc1/C=C/c1ccncc1C#N ZINC000390834534 564138958 /nfs/dbraw/zinc/13/89/58/564138958.db2.gz AXAJJQRQCMXWPG-VOTSOKGWSA-N 0 0 332.812 3.571 50 30 EHEARN CCC1(NC(=O)Nc2ccc(OC)c(OC(C)C)c2)CCOCC1 ZINC000330890042 564139198 /nfs/dbraw/zinc/13/91/98/564139198.db2.gz BSUVOTCCQXMRFK-UHFFFAOYSA-N 0 0 336.432 3.577 50 30 EHEARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2C#N)C1 ZINC000095360511 564139257 /nfs/dbraw/zinc/13/92/57/564139257.db2.gz RRBPCKNHBWWWCN-KRWDZBQOSA-N 0 0 336.439 3.575 50 30 EHEARN CCC(CC)n1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)n1 ZINC000095428610 564140244 /nfs/dbraw/zinc/14/02/44/564140244.db2.gz JJZHLJZDDQYPNJ-UHFFFAOYSA-N 0 0 349.485 3.877 50 30 EHEARN CCC(CC)n1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)n1 ZINC000095429465 564140319 /nfs/dbraw/zinc/14/03/19/564140319.db2.gz WYZUBSHIZCRVGQ-INIZCTEOSA-N 0 0 332.354 3.517 50 30 EHEARN CC(C)(C)CN(CCC#N)c1ncnc2c1cnn2-c1ccccc1 ZINC000095976183 564143581 /nfs/dbraw/zinc/14/35/81/564143581.db2.gz RSTYKLBWKMJDOV-UHFFFAOYSA-N 0 0 334.427 3.582 50 30 EHEARN C=CCn1c(S[C@@H](C)c2nccs2)nc2sccc2c1=O ZINC000096010371 564144677 /nfs/dbraw/zinc/14/46/77/564144677.db2.gz UVAANFJEIOUYAQ-VIFPVBQESA-N 0 0 335.479 3.954 50 30 EHEARN N#Cc1cccc(C(=O)NCc2cccc(Oc3ccccn3)c2)c1 ZINC000096104534 564145312 /nfs/dbraw/zinc/14/53/12/564145312.db2.gz MYCOKGBPLHJRBK-UHFFFAOYSA-N 0 0 329.359 3.676 50 30 EHEARN Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000096137163 564145799 /nfs/dbraw/zinc/14/57/99/564145799.db2.gz OUAJFHXWMSMPQI-CMDGGOBGSA-N 0 0 326.421 3.896 50 30 EHEARN CC(C)c1cnc(-c2ccc(NC(=O)c3ccc(C#N)cn3)cc2)o1 ZINC000096408347 564147496 /nfs/dbraw/zinc/14/74/96/564147496.db2.gz DQVFBEXVYAOOSG-UHFFFAOYSA-N 0 0 332.363 3.984 50 30 EHEARN N#Cc1ccnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000283876140 564148989 /nfs/dbraw/zinc/14/89/89/564148989.db2.gz VAVZEWVOJCIOOX-GOSISDBHSA-N 0 0 327.815 3.557 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000022318241 564149096 /nfs/dbraw/zinc/14/90/96/564149096.db2.gz BKVQHLUFGRFGOM-CYBMUJFWSA-N 0 0 347.378 3.727 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(F)cc3)sc2C1 ZINC000002642095 564151731 /nfs/dbraw/zinc/15/17/31/564151731.db2.gz BCQMDZRZBXKKJC-LLVKDONJSA-N 0 0 344.411 3.901 50 30 EHEARN N#Cc1c(NC(=O)COc2ccc(F)cc2F)sc2c1CCCC2 ZINC000002747687 564152422 /nfs/dbraw/zinc/15/24/22/564152422.db2.gz NWRFFKORTRETCT-UHFFFAOYSA-N 0 0 348.374 3.794 50 30 EHEARN N#Cc1ccccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000003233075 564156360 /nfs/dbraw/zinc/15/63/60/564156360.db2.gz PRAOLFHIKXBVSR-UHFFFAOYSA-N 0 0 349.173 3.661 50 30 EHEARN N#Cc1cccnc1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058160188 564157815 /nfs/dbraw/zinc/15/78/15/564157815.db2.gz QBVBZOSBWBDTKP-OAHLLOKOSA-N 0 0 349.369 3.526 50 30 EHEARN N#Cc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000058161366 564157843 /nfs/dbraw/zinc/15/78/43/564157843.db2.gz AJHTYAVRELYNCC-UHFFFAOYSA-N 0 0 341.414 3.876 50 30 EHEARN COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1Cn1cccn1 ZINC000003895447 564159635 /nfs/dbraw/zinc/15/96/35/564159635.db2.gz IVHAPDYWOPQSGD-GZTJUZNOSA-N 0 0 330.387 3.762 50 30 EHEARN N#Cc1ccc(CN2C(=O)COc3ccc(-c4cscn4)cc32)cc1 ZINC000031869988 564160088 /nfs/dbraw/zinc/16/00/88/564160088.db2.gz BKKWQXSQINOTEN-UHFFFAOYSA-N 0 0 347.399 3.607 50 30 EHEARN C=CCn1c(=O)c2ccccc2nc1SCc1cn2ccccc2n1 ZINC000008012318 564162122 /nfs/dbraw/zinc/16/21/22/564162122.db2.gz XKTSXLDIXRZHCN-UHFFFAOYSA-N 0 0 348.431 3.523 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1c2ccccc2C[C@@H]1C ZINC000008876384 564167541 /nfs/dbraw/zinc/16/75/41/564167541.db2.gz SJJFNUIFRKPZCR-ZDUSSCGKSA-N 0 0 331.375 3.842 50 30 EHEARN CCn1c(SCCC#N)nc2scc(-c3ccco3)c2c1=O ZINC000009053746 564168672 /nfs/dbraw/zinc/16/86/72/564168672.db2.gz DLMXAIFEWOINIM-UHFFFAOYSA-N 0 0 331.422 3.744 50 30 EHEARN CCC[C@H](C)CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000069583789 564170674 /nfs/dbraw/zinc/17/06/74/564170674.db2.gz GSJMLLFHPUBGLN-GWCFXTLKSA-N 0 0 331.803 3.579 50 30 EHEARN N#Cc1cccnc1N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000078303416 564176958 /nfs/dbraw/zinc/17/69/58/564176958.db2.gz RDUAGPMWHHCYDL-UHFFFAOYSA-N 0 0 347.447 3.856 50 30 EHEARN CN(C(=O)OC(C)(C)C)c1ccc(NCc2cccc(C#N)c2)cn1 ZINC000295940431 1038684105 /nfs/dbraw/zinc/68/41/05/1038684105.db2.gz GGMKTMDEEVMNCL-UHFFFAOYSA-N 0 0 338.411 3.937 50 30 EHEARN C=CCOc1cc(Cl)c(CN(C)Cc2nccn2CC)cc1OC ZINC000820491561 1130874893 /nfs/dbraw/zinc/87/48/93/1130874893.db2.gz RGQUIEQHQAXCIP-UHFFFAOYSA-N 0 0 349.862 3.762 50 30 EHEARN C#CCCC1(CCC(=O)NC[C@H]2CCCc3cc(OC)ccc32)N=N1 ZINC000952881013 1137483424 /nfs/dbraw/zinc/48/34/24/1137483424.db2.gz NIYLMJBCHZVSHZ-MRXNPFEDSA-N 0 0 339.439 3.587 50 30 EHEARN C#CCCC1(CCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)N=N1 ZINC000952882285 1137483428 /nfs/dbraw/zinc/48/34/28/1137483428.db2.gz TUAULSXPXBICRE-UHFFFAOYSA-N 0 0 347.422 3.655 50 30 EHEARN C#CCCC1(CCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)N=N1 ZINC000952882178 1137483453 /nfs/dbraw/zinc/48/34/53/1137483453.db2.gz SDQGDUKQDXNMCM-GDBMZVCRSA-N 0 0 327.403 3.886 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=S ZINC000004704740 210255123 /nfs/dbraw/zinc/25/51/23/210255123.db2.gz OIPRIVDSGKCEBK-VBKFSLOCSA-N 0 0 344.505 3.982 50 30 EHEARN Cc1ccc(C(=O)OCC#CCSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004689323 210248978 /nfs/dbraw/zinc/24/89/78/210248978.db2.gz VJLJYDUOHVIFQH-UHFFFAOYSA-N 0 0 341.388 3.856 50 30 EHEARN CC(C)c1nc(C#N)c(N=NCc2cccc(Br)c2)o1 ZINC000004276500 210159688 /nfs/dbraw/zinc/15/96/88/210159688.db2.gz ALBSXLQANCOTHE-CAOOACKPSA-N 0 0 333.189 3.878 50 30 EHEARN N#Cc1ccc(F)c(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 ZINC000010538540 201800664 /nfs/dbraw/zinc/80/06/64/201800664.db2.gz UZGQYQVUPUQHEE-UHFFFAOYSA-N 0 0 330.668 3.580 50 30 EHEARN N#Cc1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000014119168 201926520 /nfs/dbraw/zinc/92/65/20/201926520.db2.gz PELRPLOHZWYFIH-UHFFFAOYSA-N 0 0 328.755 3.625 50 30 EHEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1[N+](=O)[O-] ZINC000019732862 202017260 /nfs/dbraw/zinc/01/72/60/202017260.db2.gz CDLGWSUVIRZOTD-UHFFFAOYSA-N 0 0 328.397 3.750 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000020432257 202041395 /nfs/dbraw/zinc/04/13/95/202041395.db2.gz CDNOFXHQJUJZNU-GOSISDBHSA-N 0 0 345.398 3.818 50 30 EHEARN Cc1csc(CNC(=O)c2ccccc2-c2ccccc2C#N)n1 ZINC000021022557 202060932 /nfs/dbraw/zinc/06/09/32/202060932.db2.gz ZCDMKYIODSOHMR-UHFFFAOYSA-N 0 0 333.416 3.920 50 30 EHEARN N#Cc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c1 ZINC000021107494 202062189 /nfs/dbraw/zinc/06/21/89/202062189.db2.gz SGXUZDXBDWIDMS-HXUWFJFHSA-N 0 0 340.386 3.720 50 30 EHEARN COc1ccc2c(c1)CCc1cc(C(=O)OCCCC#N)sc1-2 ZINC000021730525 202070073 /nfs/dbraw/zinc/07/00/73/202070073.db2.gz JCWKNSGMCMVMIZ-UHFFFAOYSA-N 0 0 327.405 3.983 50 30 EHEARN N#Cc1ccsc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000025044469 202125441 /nfs/dbraw/zinc/12/54/41/202125441.db2.gz IKKQARVEDRKLJN-UHFFFAOYSA-N 0 0 348.811 3.616 50 30 EHEARN N#Cc1ccccc1CNc1cc2c(cc1Br)OCCO2 ZINC000040012039 202167109 /nfs/dbraw/zinc/16/71/09/202167109.db2.gz ZISHUIIVCLPYAN-UHFFFAOYSA-N 0 0 345.196 3.704 50 30 EHEARN N#CCC[C@H](C#N)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000028917210 202178300 /nfs/dbraw/zinc/17/83/00/202178300.db2.gz BWXLOIGSJOVLGE-CYBMUJFWSA-N 0 0 326.359 3.691 50 30 EHEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000028957532 202179552 /nfs/dbraw/zinc/17/95/52/202179552.db2.gz ITBAEZWGDTUQNP-XCVCLJGOSA-N 0 0 337.762 3.666 50 30 EHEARN N#Cc1c(COC(=O)c2ccc3ncsc3c2)cn2ccccc12 ZINC000032895417 202239783 /nfs/dbraw/zinc/23/97/83/202239783.db2.gz BBQZCHWJGGRMBM-UHFFFAOYSA-N 0 0 333.372 3.778 50 30 EHEARN CCCOC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N ZINC000033011120 202247208 /nfs/dbraw/zinc/24/72/08/202247208.db2.gz UNXYHCKOVOLOKM-UHFFFAOYSA-N 0 0 326.421 3.974 50 30 EHEARN COc1cc(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000032634070 212820814 /nfs/dbraw/zinc/82/08/14/212820814.db2.gz GTPRVDCNUIAOFS-RMKNXTFCSA-N 0 0 327.336 3.817 50 30 EHEARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)C1 ZINC000035672226 202308217 /nfs/dbraw/zinc/30/82/17/202308217.db2.gz BFQCQTDLABZWML-RYUDHWBXSA-N 0 0 326.356 3.604 50 30 EHEARN C[C@@H](Sc1nncs1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036023203 202312283 /nfs/dbraw/zinc/31/22/83/202312283.db2.gz PPCUWKWMKGDGEQ-PDICVPPASA-N 0 0 345.493 3.899 50 30 EHEARN N#Cc1cccc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000041788381 201094136 /nfs/dbraw/zinc/09/41/36/201094136.db2.gz HLXVYCYKFATHLY-GDWUOILNSA-N 0 0 342.402 3.811 50 30 EHEARN N#C[C@@H](NC(=O)/C=C\c1ccncc1)c1cccc(Cl)c1Cl ZINC000096297447 201375783 /nfs/dbraw/zinc/37/57/83/201375783.db2.gz IXRSPHPUYNZTAX-ZRUQZJFASA-N 0 0 332.190 3.783 50 30 EHEARN N#Cc1ccc(Br)c(CO[C@H]2CCCc3c[nH]nc32)c1 ZINC000191690878 239252414 /nfs/dbraw/zinc/25/24/14/239252414.db2.gz NNJHGHYIMQOWLH-AWEZNQCLSA-N 0 0 332.201 3.638 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(OC(F)F)c1 ZINC000051303657 202639305 /nfs/dbraw/zinc/63/93/05/202639305.db2.gz BLCUPTCERREZLT-UHFFFAOYSA-N 0 0 345.349 3.501 50 30 EHEARN N#Cc1c(Cl)nsc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000051621638 202641563 /nfs/dbraw/zinc/64/15/63/202641563.db2.gz WOYLGIWFSXQTBI-UHFFFAOYSA-N 0 0 341.827 3.838 50 30 EHEARN COc1ccc(CCC(=O)Oc2c(Cl)cc(C#N)cc2OC)cc1 ZINC000024042762 212405370 /nfs/dbraw/zinc/40/53/70/212405370.db2.gz QEUQPXSRVURIDF-UHFFFAOYSA-N 0 0 345.782 3.767 50 30 EHEARN CCN(CC(C)C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000052536630 202646301 /nfs/dbraw/zinc/64/63/01/202646301.db2.gz GQUYVBKIBVVFLG-UHFFFAOYSA-N 0 0 326.396 3.848 50 30 EHEARN N#Cc1ccccc1C(=O)NCc1csc(Cc2ccccc2)n1 ZINC000217443079 241250985 /nfs/dbraw/zinc/25/09/85/241250985.db2.gz VXVGQVVKUXJSMH-UHFFFAOYSA-N 0 0 333.416 3.536 50 30 EHEARN Cc1c(C#N)c(NC(=O)c2ccccc2F)sc1C(=O)OC(C)C ZINC000000433082 201473048 /nfs/dbraw/zinc/47/30/48/201473048.db2.gz FFCBQJKNUZNVIH-UHFFFAOYSA-N 0 0 346.383 3.885 50 30 EHEARN COc1ccc(SCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000010219238 201503791 /nfs/dbraw/zinc/50/37/91/201503791.db2.gz ULUQDKPGSHNJKK-UHFFFAOYSA-N 0 0 332.450 3.976 50 30 EHEARN S=C1N=NC(COc2ccccc2)N1N=CC=Cc1ccccc1 ZINC000002700109 201540897 /nfs/dbraw/zinc/54/08/97/201540897.db2.gz JFUYITAUOUIGLI-CIOYMBLNSA-N 0 0 336.420 3.693 50 30 EHEARN Cc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2cccnc2)c(C)c1 ZINC000003352658 201567564 /nfs/dbraw/zinc/56/75/64/201567564.db2.gz OLRAEIFHGJZZCN-CQSZACIVSA-N 0 0 335.436 3.950 50 30 EHEARN C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(F)cc1 ZINC000005812736 201663792 /nfs/dbraw/zinc/66/37/92/201663792.db2.gz NUOXCKJIMCDZMM-GFCCVEGCSA-N 0 0 326.327 3.596 50 30 EHEARN CN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(C(C)(C)C)n1 ZINC000065566681 202863989 /nfs/dbraw/zinc/86/39/89/202863989.db2.gz TZBWHTBZEBHWPK-UHFFFAOYSA-N 0 0 342.468 3.654 50 30 EHEARN COc1ccccc1C/C(C)=C/C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000069698433 203036702 /nfs/dbraw/zinc/03/67/02/203036702.db2.gz GVIIILAVXGZPRR-DTQAZKPQSA-N 0 0 334.419 3.714 50 30 EHEARN C[C@H]1SCc2c1nc(N)c(C#N)c2-c1cnc(-c2ccco2)nc1 ZINC000071758911 203109218 /nfs/dbraw/zinc/10/92/18/203109218.db2.gz KFJHMWODXPHVLU-SECBINFHSA-N 0 0 335.392 3.560 50 30 EHEARN N#Cc1cccc(COc2ccc(NC(=O)N3CCCC3)cc2F)c1 ZINC000071796172 203114333 /nfs/dbraw/zinc/11/43/33/203114333.db2.gz WPATUWNAEXWZPH-UHFFFAOYSA-N 0 0 339.370 3.904 50 30 EHEARN CC1(C)CCC[C@@](C)(C#CCN2CCN(c3ccccc3)CC2)O1 ZINC000019933920 212086363 /nfs/dbraw/zinc/08/63/63/212086363.db2.gz ZWDVOMFYCOKSRA-NRFANRHFSA-N 0 0 326.484 3.550 50 30 EHEARN N#Cc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000075127333 203304970 /nfs/dbraw/zinc/30/49/70/203304970.db2.gz QVVXJPRDESMMLD-FQEVSTJZSA-N 0 0 342.402 3.542 50 30 EHEARN C#Cc1cccc(N(C(=O)c2csc(-c3ncccn3)n2)C(C)C)c1 ZINC000069846743 203374636 /nfs/dbraw/zinc/37/46/36/203374636.db2.gz RYHUXKJRFKLANP-UHFFFAOYSA-N 0 0 348.431 3.637 50 30 EHEARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1sccc1C#N ZINC000089840127 203595831 /nfs/dbraw/zinc/59/58/31/203595831.db2.gz MLIVELYNIIKNMF-INIZCTEOSA-N 0 0 346.427 3.591 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)N[C@H]1CCc2ccccc21 ZINC000097164551 203931035 /nfs/dbraw/zinc/93/10/35/203931035.db2.gz BVSSWXHJITUUEH-INIZCTEOSA-N 0 0 336.395 3.573 50 30 EHEARN C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)OCC)[C@H]1c1cccs1 ZINC000101151893 204002247 /nfs/dbraw/zinc/00/22/47/204002247.db2.gz OBNQAGAKVGGLCA-PBHICJAKSA-N 0 0 346.477 3.685 50 30 EHEARN COc1ccc(C)cc1NC(=O)C(O)=CC(=O)c1ccc(C)cc1 ZINC000101355193 204005218 /nfs/dbraw/zinc/00/52/18/204005218.db2.gz APMKQZNAVQYPMC-BOPFTXTBSA-N 0 0 325.364 3.575 50 30 EHEARN CCOCCN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccccc1 ZINC000101429295 204007092 /nfs/dbraw/zinc/00/70/92/204007092.db2.gz QFKQPCYIZXZLHF-XPRMTSCQSA-N 0 0 342.420 3.920 50 30 EHEARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000000621151 206246013 /nfs/dbraw/zinc/24/60/13/206246013.db2.gz YOUPIRIYYIFHFP-LLVKDONJSA-N 0 0 345.196 3.727 50 30 EHEARN C=CCCC(=O)N[C@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000011879826 211264944 /nfs/dbraw/zinc/26/49/44/211264944.db2.gz XENZBSWZNYDOFN-OAHLLOKOSA-N 0 0 330.476 3.699 50 30 EHEARN C=C(C)CN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccccc1C ZINC000008780153 211006592 /nfs/dbraw/zinc/00/65/92/211006592.db2.gz ZULUMPYXJAAUNO-LJQANCHMSA-N 0 0 349.434 3.727 50 30 EHEARN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1C(F)(F)F ZINC000096443154 218824549 /nfs/dbraw/zinc/82/45/49/218824549.db2.gz UIQKHHLIWOIWIZ-UONOGXRCSA-N 0 0 331.297 3.714 50 30 EHEARN C=CCN(C(C)=O)[C@@H](c1ccccc1)P(=O)(OCC)OCC ZINC000005046804 210373931 /nfs/dbraw/zinc/37/39/31/210373931.db2.gz CLOWQNXIOMJORH-MRXNPFEDSA-N 0 0 325.345 3.986 50 30 EHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000004910607 210321076 /nfs/dbraw/zinc/32/10/76/210321076.db2.gz SRBWLGINVAZAAW-CQSZACIVSA-N 0 0 339.391 3.587 50 30 EHEARN CN(C)C(=O)COc1ccc(C(=O)/C=C\c2ccc(Cl)s2)cc1 ZINC000096939783 257839342 /nfs/dbraw/zinc/83/93/42/257839342.db2.gz NJERZVAMDLCHOD-CLFYSBASSA-N 0 0 349.839 3.765 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1 ZINC000006697079 258044744 /nfs/dbraw/zinc/04/47/44/258044744.db2.gz QENPGBFMKKXDEJ-UHFFFAOYSA-N 0 0 337.354 3.704 50 30 EHEARN C=CCN(C[C@H]1CC(c2ccccc2)=NO1)C(=O)c1cccs1 ZINC000006695081 258044848 /nfs/dbraw/zinc/04/48/48/258044848.db2.gz AKXMKLXWIGLPEW-OAHLLOKOSA-N 0 0 326.421 3.570 50 30 EHEARN C=C(C)CSc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000007997198 257975587 /nfs/dbraw/zinc/97/55/87/257975587.db2.gz KRRHDMZYCKZWMU-UHFFFAOYSA-N 0 0 339.461 3.852 50 30 EHEARN CC#CC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000408515933 257982130 /nfs/dbraw/zinc/98/21/30/257982130.db2.gz URTNIFBMRBITKS-LLVKDONJSA-N 0 0 334.135 3.582 50 30 EHEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005141993 258003189 /nfs/dbraw/zinc/00/31/89/258003189.db2.gz JNKKCXLIMHHYLI-YBEGLDIGSA-N 0 0 342.347 3.616 50 30 EHEARN C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2nccs2)c1 ZINC000069658250 258006191 /nfs/dbraw/zinc/00/61/91/258006191.db2.gz GKOASUMBOPRPHU-UHFFFAOYSA-N 0 0 336.416 3.883 50 30 EHEARN Cc1oc(C#N)cc1C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000280822357 258013552 /nfs/dbraw/zinc/01/35/52/258013552.db2.gz NMEDLUGKOOOBIL-PIGZYNQJSA-N 0 0 344.798 3.715 50 30 EHEARN C=CCSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1 ZINC000013021972 258017615 /nfs/dbraw/zinc/01/76/15/258017615.db2.gz VAIWRJIRKHDWQH-CYBMUJFWSA-N 0 0 340.452 3.884 50 30 EHEARN C=CCOc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1OC ZINC000008987744 258018028 /nfs/dbraw/zinc/01/80/28/258018028.db2.gz CTFQQORTVHDXHS-UHFFFAOYSA-N 0 0 337.419 3.722 50 30 EHEARN COc1ccc([C@@H](C)NC(=S)NCc2ccc(F)cc2)cc1OC ZINC000001121648 258048970 /nfs/dbraw/zinc/04/89/70/258048970.db2.gz WNTLCXGICFIALY-GFCCVEGCSA-N 0 0 348.443 3.980 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1F ZINC000007336071 258053107 /nfs/dbraw/zinc/05/31/07/258053107.db2.gz AXPKANPCUOUDEK-FNORWQNLSA-N 0 0 346.354 3.756 50 30 EHEARN O=C(O/N=C(\c1ccccc1)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000012650614 258055055 /nfs/dbraw/zinc/05/50/55/258055055.db2.gz NWYNAVVUNVPEKA-DYTRJAOYSA-N 0 0 347.330 3.599 50 30 EHEARN Clc1ccc(N2CCN(/N=C/c3c[nH]c4ccccc34)CC2)cc1 ZINC000000228742 135647446 /nfs/dbraw/zinc/64/74/46/135647446.db2.gz KIVUFUUFLVRUPO-HYARGMPZSA-N 0 0 338.842 3.977 50 30 EHEARN C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccncc1 ZINC000005938572 262516524 /nfs/dbraw/zinc/51/65/24/262516524.db2.gz UBOIXGFLCKBCSO-UHFFFAOYSA-N 0 0 333.420 3.690 50 30 EHEARN CC(=O)NC[C@H]1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000328591889 518475273 /nfs/dbraw/zinc/47/52/73/518475273.db2.gz MDXDDMBDBWQDTI-OAHLLOKOSA-N 0 0 348.512 3.901 50 30 EHEARN C=CCN(C(=O)[C@H](C)Sc1nc2ncccc2o1)c1ccccc1 ZINC000021920159 518737355 /nfs/dbraw/zinc/73/73/55/518737355.db2.gz SBGHSINZMZWTLG-ZDUSSCGKSA-N 0 0 339.420 3.923 50 30 EHEARN C=CCNc1nnc(SCc2nc(-c3cccs3)no2)s1 ZINC000007090676 518967462 /nfs/dbraw/zinc/96/74/62/518967462.db2.gz GBOOMWAIJKKAQV-UHFFFAOYSA-N 0 0 337.455 3.540 50 30 EHEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1 ZINC000000527809 519234204 /nfs/dbraw/zinc/23/42/04/519234204.db2.gz ZNIGNHLWRJKMGK-UHFFFAOYSA-N 0 0 325.393 3.699 50 30 EHEARN COc1cc(C(=O)C=CNc2ccc(O)cc2C)cc(OC)c1OC ZINC000000208442 522049829 /nfs/dbraw/zinc/04/98/29/522049829.db2.gz CTGNNRNHBJKWNL-BQYQJAHWSA-N 0 0 343.379 3.535 50 30 biogenic EHEARN CCc1ccc(/C=C2/Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 ZINC000000543213 523873888 /nfs/dbraw/zinc/87/38/88/523873888.db2.gz FMBJNCHRYAEPBU-WOJGMQOQSA-N 0 0 337.375 3.926 50 30 EHEARN COc1ccnc(-n2cccc2/C=N/OCc2ccc(C)cc2)c1C#N ZINC000004024603 524826251 /nfs/dbraw/zinc/82/62/51/524826251.db2.gz GAJYPSQBOVRKRH-YDZHTSKRSA-N 0 0 346.390 3.612 50 30 EHEARN Cc1ccnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)n1 ZINC000003286187 525707646 /nfs/dbraw/zinc/70/76/46/525707646.db2.gz DHMLKZMAHHOWLS-GZTJUZNOSA-N 0 0 339.464 3.758 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCSCC1 ZINC000108531940 525921708 /nfs/dbraw/zinc/92/17/08/525921708.db2.gz WWCKRDYBSMNYJV-CYBMUJFWSA-N 0 0 335.498 3.909 50 30 EHEARN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)cs2)cc1 ZINC000252605614 563997956 /nfs/dbraw/zinc/99/79/56/563997956.db2.gz GKRVZIXWTMKDBY-UHFFFAOYSA-N 0 0 326.175 3.865 50 30 EHEARN N#C[C@H](NC(=O)c1csc(Br)c1)C1CCCCC1 ZINC000226186565 564049970 /nfs/dbraw/zinc/04/99/70/564049970.db2.gz WXYHEZWFCLHOHC-NSHDSACASA-N 0 0 327.247 3.713 50 30 EHEARN C/C(=N/NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000484545 563338410 /nfs/dbraw/zinc/33/84/10/563338410.db2.gz MGQVHXXQYZRYGV-YVLHZVERSA-N 0 0 343.235 3.696 50 30 EHEARN N#CCCCCCC(=O)c1ccc(I)cc1 ZINC000002392825 563431680 /nfs/dbraw/zinc/43/16/80/563431680.db2.gz YLVOJPKXYBHLNI-UHFFFAOYSA-N 0 0 327.165 3.948 50 30 EHEARN Clc1ccc(CN=Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000004192868 563497636 /nfs/dbraw/zinc/49/76/36/563497636.db2.gz WQASRWJIVTWJDH-LSHDLFTRSA-N 0 0 348.797 3.915 50 30 EHEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(O)c(Br)c2)cc1 ZINC000004990416 563517848 /nfs/dbraw/zinc/51/78/48/563517848.db2.gz SGGKKXJJFIZGNF-OVCLIPMQSA-N 0 0 336.145 3.509 50 30 EHEARN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2cccs2)C1=O ZINC000005059622 563520170 /nfs/dbraw/zinc/52/01/70/563520170.db2.gz VYPNAHOGVMWTHO-RVDMUPIBSA-N 0 0 325.389 3.625 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000010646102 563648817 /nfs/dbraw/zinc/64/88/17/563648817.db2.gz IUOKJNROJISWRO-MEBBXXQBSA-N 0 0 329.227 3.815 50 30 in-vitro EHEARN COc1ccccc1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 ZINC000013111976 563688228 /nfs/dbraw/zinc/68/82/28/563688228.db2.gz XXBHONYAYJPHLI-ZHZULCJRSA-N 0 0 329.831 3.505 50 30 EHEARN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000013123062 563689195 /nfs/dbraw/zinc/68/91/95/563689195.db2.gz NNCMFPVWGUDKSC-HJWRWDBZSA-N 0 0 342.351 3.729 50 30 EHEARN Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013687897 563711115 /nfs/dbraw/zinc/71/11/15/563711115.db2.gz GZCADSFCBVFOED-INIZCTEOSA-N 0 0 340.379 3.595 50 30 EHEARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(CC#N)cc3)c12 ZINC000014527593 563759961 /nfs/dbraw/zinc/75/99/61/563759961.db2.gz VCBQFNMISLETHK-UHFFFAOYSA-N 0 0 332.363 3.727 50 30 EHEARN N#CC(C(=O)CCc1cscn1)c1nc2cc(F)ccc2s1 ZINC000095396887 563928355 /nfs/dbraw/zinc/92/83/55/563928355.db2.gz WKJBEINSPMXJFX-NSHDSACASA-N 0 0 331.397 3.701 50 30 EHEARN O=C(CN1CCCCC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000051087205 563931758 /nfs/dbraw/zinc/93/17/58/563931758.db2.gz QGSNWDJIUMXOEP-UHFFFAOYSA-N 0 0 333.432 3.947 50 30 EHEARN N#Cc1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004622561 563933331 /nfs/dbraw/zinc/93/33/31/563933331.db2.gz RUBFSBWFIVZAGB-UHFFFAOYSA-N 0 0 339.464 3.588 50 30 EHEARN Cc1c(C(=O)N2CCC(C#N)CC2)sc2nc(C3CC3)nc(C)c12 ZINC000058088797 563937338 /nfs/dbraw/zinc/93/73/38/563937338.db2.gz PDFXRSOLXXPUAT-UHFFFAOYSA-N 0 0 340.452 3.561 50 30 EHEARN COc1cccc(C=CC(=O)[C@H](C#N)c2nc3ccccc3o2)c1OC ZINC000058175220 563939117 /nfs/dbraw/zinc/93/91/17/563939117.db2.gz PTKWMTWNIZLCOI-VNDWYCCKSA-N 0 0 348.358 3.735 50 30 EHEARN N#CCCN(CC1CCC1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000096425234 563952117 /nfs/dbraw/zinc/95/21/17/563952117.db2.gz ZACMSOLOVXHFPK-UHFFFAOYSA-N 0 0 330.190 3.683 50 30 EHEARN COCCC1(CNC(=O)N[C@H](C)c2cccc(C#N)c2)CCCC1 ZINC000096473480 563954737 /nfs/dbraw/zinc/95/47/37/563954737.db2.gz ZSCQOPWUSAIKNS-OAHLLOKOSA-N 0 0 329.444 3.515 50 30 EHEARN N#Cc1cnn2c1N[C@H](C13CC4CC(CC(C4)C1)C3)C[C@H]2C(F)F ZINC000013959440 563970636 /nfs/dbraw/zinc/97/06/36/563970636.db2.gz SJPDWOBGRWLIFY-URYGZGKGSA-N 0 0 332.398 3.962 50 30 EHEARN CCN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CCCC2=O ZINC000000067443 563971783 /nfs/dbraw/zinc/97/17/83/563971783.db2.gz KQSFGAZOUKXTRZ-OAHLLOKOSA-N 0 0 349.228 3.542 50 30 EHEARN C/N=C1\S/C(=C/c2cc(Cl)cc(Cl)c2OC)C(=O)N1C ZINC000033296134 563973102 /nfs/dbraw/zinc/97/31/02/563973102.db2.gz YDUSZWJBDLGIRD-LSROSZLMSA-N 0 0 331.224 3.534 50 30 EHEARN N#CC1CCN(C(=O)Nc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000096161381 563979836 /nfs/dbraw/zinc/97/98/36/563979836.db2.gz XZJGAWHIWWFNCX-UHFFFAOYSA-N 0 0 340.427 3.583 50 30 EHEARN Brc1ccc(/C=N/C[C@H]2COc3ccccc3O2)cc1 ZINC000100056112 563982325 /nfs/dbraw/zinc/98/23/25/563982325.db2.gz MHKBOAAJBJSYDL-RMNBPEERSA-N 0 0 332.197 3.708 50 30 EHEARN Cc1cccc(OCc2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)c1 ZINC000000108264 563986581 /nfs/dbraw/zinc/98/65/81/563986581.db2.gz LKFDEPSBDNIXSM-HUUCEWRRSA-N 0 0 325.412 3.916 50 30 EHEARN C=CCc1cccc(/C=N/n2c(C)c3c(c2C)c(C)nnc3C)c1O ZINC000000278544 563990149 /nfs/dbraw/zinc/99/01/49/563990149.db2.gz XFAWEQLYWMNDTR-SRZZPIQSSA-N 0 0 334.423 3.981 50 30 EHEARN COc1cccc(/C=C/c2nc(C#N)c(NCc3cccnc3)o2)c1 ZINC000004865701 563992116 /nfs/dbraw/zinc/99/21/16/563992116.db2.gz HMQKLIBVQPIRBS-BQYQJAHWSA-N 0 0 332.363 3.732 50 30 EHEARN CC(N=Nc1ccc2nncn2n1)c1ccc(-c2ccccc2)cc1 ZINC000004973854 563993525 /nfs/dbraw/zinc/99/35/25/563993525.db2.gz YPUUVWKMTZKGOU-KGENOOAVSA-N 0 0 328.379 3.627 50 30 EHEARN Fc1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000244626623 563996032 /nfs/dbraw/zinc/99/60/32/563996032.db2.gz FPJCKCMLPYYNAN-UHFFFAOYSA-N 0 0 331.822 3.631 50 30 EHEARN N#Cc1ccccc1OCc1cc2c(cc1Br)OCO2 ZINC000005216163 564001123 /nfs/dbraw/zinc/00/11/23/564001123.db2.gz RWOGXGQDTUCBCW-UHFFFAOYSA-N 0 0 332.153 3.628 50 30 EHEARN C=C1C=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 ZINC000005371515 564003199 /nfs/dbraw/zinc/00/31/99/564003199.db2.gz AOKVPXZYQSAPMF-CFXDCANBSA-N 0 0 330.424 3.584 50 30 EHEARN CC1=C(c2ccccc2)N(c2ccc(Br)cc2)C(=O)C1=O ZINC000003129289 564006904 /nfs/dbraw/zinc/00/69/04/564006904.db2.gz NOZCOSOGFCIQMQ-UHFFFAOYSA-N 0 0 342.192 3.796 50 30 EHEARN N#Cc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)cc1 ZINC000206945529 564015411 /nfs/dbraw/zinc/01/54/11/564015411.db2.gz KCWVZBXPGJQWEF-UHFFFAOYSA-N 0 0 347.443 3.931 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180044893 564016945 /nfs/dbraw/zinc/01/69/45/564016945.db2.gz NAGDYOLJADLDDN-UHFFFAOYSA-N 0 0 341.414 3.942 50 30 EHEARN COC(=O)c1ccc(Oc2nc(C#N)cc(-c3ccccc3)n2)cc1 ZINC000000519878 564020563 /nfs/dbraw/zinc/02/05/63/564020563.db2.gz UDXVZSLRTFOFGJ-UHFFFAOYSA-N 0 0 331.331 3.594 50 30 EHEARN CCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccccc2)N1 ZINC000000521013 564020995 /nfs/dbraw/zinc/02/09/95/564020995.db2.gz SYBULBLSEISGEH-QGZVFWFLSA-N 0 0 345.406 3.681 50 30 EHEARN CCCCCCCCC(=O)N(CC(=O)Nc1ccon1)CC(C)C ZINC000102995799 564021088 /nfs/dbraw/zinc/02/10/88/564021088.db2.gz YVPIHROLBXRPGF-UHFFFAOYSA-N 0 0 337.464 3.848 50 30 EHEARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc(F)cc1 ZINC000000522678 564021127 /nfs/dbraw/zinc/02/11/27/564021127.db2.gz UTMKJTNLRRDKDW-ODCIPOBUSA-N 0 0 340.745 3.553 50 30 EHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1cccc(Cl)c1 ZINC000103503880 564022615 /nfs/dbraw/zinc/02/26/15/564022615.db2.gz ZFEKENXNQFRTQQ-ZNFPLGDCSA-N 0 0 330.815 3.511 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COc1ccccc1C#N ZINC000105802465 564025318 /nfs/dbraw/zinc/02/53/18/564025318.db2.gz XNPAIPZXJMPZIA-UDWIEESQSA-N 0 0 332.403 3.818 50 30 EHEARN Cc1ccc(C2=N/C(=C/c3cccc(OCC#N)c3)C(=O)O2)cc1C ZINC000048324457 564030962 /nfs/dbraw/zinc/03/09/62/564030962.db2.gz YKCJNFTXKUKXEK-LDADJPATSA-N 0 0 332.359 3.550 50 30 EHEARN COc1cccc(CC/N=C/c2cc(Br)ccc2O)c1 ZINC000048501876 564031936 /nfs/dbraw/zinc/03/19/36/564031936.db2.gz WMASRYSTNOKKRL-WOJGMQOQSA-N 0 0 334.213 3.825 50 30 EHEARN Cc1sc(N=NCc2cnn(C)c2)nc1-c1ccc(F)cc1F ZINC000252452454 564053384 /nfs/dbraw/zinc/05/33/84/564053384.db2.gz JLTMQRRJUOZRIL-UHFFFAOYSA-N 0 0 333.367 3.576 50 30 EHEARN CC(=O)O[C@@H]1C[C@@H]2[C@H]3CCC(=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254877593 564053696 /nfs/dbraw/zinc/05/36/96/564053696.db2.gz WGJULUODXUVWJZ-ANDBQTFBSA-N 0 0 344.451 3.629 50 30 EHEARN Oc1ccc(Br)cc1/C=N\c1ccc2c(c1)OCCO2 ZINC000001022232 564054146 /nfs/dbraw/zinc/05/41/46/564054146.db2.gz GSMNDUPJFMUVMH-MFOYZWKCSA-N 0 0 334.169 3.677 50 30 EHEARN Cc1n[nH]c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000190429132 564060982 /nfs/dbraw/zinc/06/09/82/564060982.db2.gz TYGRWFVURNFAMS-UHFFFAOYSA-N 0 0 346.390 3.872 50 30 EHEARN COc1ccc(/C=C2\CC[C@H]3[C@@H](CCCC34OCCO4)C2=O)cc1 ZINC000004533212 564062646 /nfs/dbraw/zinc/06/26/46/564062646.db2.gz VTTUERHBIOYDLZ-AKTZAPLRSA-N 0 0 328.408 3.601 50 30 EHEARN N#CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000084541261 564068631 /nfs/dbraw/zinc/06/86/31/564068631.db2.gz OURBBPMHOSCQIX-RTBURBONSA-N 0 0 332.403 3.541 50 30 EHEARN C=C(C)COc1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 ZINC000012379182 564073202 /nfs/dbraw/zinc/07/32/02/564073202.db2.gz CYTVTDNXIHUBMU-UHFFFAOYSA-N 0 0 349.390 3.622 50 30 EHEARN C=CCN(C)c1ccc2[nH]cc(S(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000015019014 564074265 /nfs/dbraw/zinc/07/42/65/564074265.db2.gz JNYXYUSSULIGRT-UHFFFAOYSA-N 0 0 340.448 3.931 50 30 EHEARN C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000002356709 564074831 /nfs/dbraw/zinc/07/48/31/564074831.db2.gz NWFLTWQSUSTBTK-KRWDZBQOSA-N 0 0 331.419 3.587 50 30 EHEARN Cc1cccc(NC(=NS(=O)(=O)c2ccccc2)C(F)(F)F)c1 ZINC000015986222 564078971 /nfs/dbraw/zinc/07/89/71/564078971.db2.gz HOYZFWFOKHDXRS-UHFFFAOYSA-N 0 0 342.342 3.757 50 30 EHEARN C=CCC[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000075259736 564081221 /nfs/dbraw/zinc/08/12/21/564081221.db2.gz LEDVMICFVIMRJJ-RBUKOAKNSA-N 0 0 330.449 3.837 50 30 EHEARN CCC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F ZINC000001856276 564088953 /nfs/dbraw/zinc/08/89/53/564088953.db2.gz MXOVSHPGEPHRFF-UHFFFAOYSA-N 0 0 332.219 3.585 50 30 EHEARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1sc(C)c(C)c1C#N ZINC000006703957 564096234 /nfs/dbraw/zinc/09/62/34/564096234.db2.gz RODNMJORWLTTFO-UHFFFAOYSA-N 0 0 337.404 3.848 50 30 EHEARN C=CCN1CCN(C(=O)Nc2ccc(Cl)cc2)c2cccnc21 ZINC000064929522 564097886 /nfs/dbraw/zinc/09/78/86/564097886.db2.gz DDIUCNFHRSDLBM-UHFFFAOYSA-N 0 0 328.803 3.780 50 30 EHEARN C=CCN1CCN(C(=O)Nc2ccc(OCC)cc2)c2cccnc21 ZINC000064929538 564097900 /nfs/dbraw/zinc/09/79/00/564097900.db2.gz YVUXSXXKKYVYOQ-UHFFFAOYSA-N 0 0 338.411 3.525 50 30 EHEARN C[C@@H](CC(=O)N[C@@]1(C#N)CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000066316905 564100679 /nfs/dbraw/zinc/10/06/79/564100679.db2.gz LWUPGVQISZGWTR-XHDPSFHLSA-N 0 0 342.386 3.714 50 30 EHEARN N#Cc1ccc(NC(=O)COC(=O)CC2CCCCC2)cc1Cl ZINC000006887172 564100704 /nfs/dbraw/zinc/10/07/04/564100704.db2.gz YYOXRGVDULGUTA-UHFFFAOYSA-N 0 0 334.803 3.664 50 30 EHEARN CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000065517404 564106813 /nfs/dbraw/zinc/10/68/13/564106813.db2.gz CYONYSXENDIZBO-UHFFFAOYSA-N 0 0 331.778 3.692 50 30 EHEARN C=CCN(Cc1cccs1)C(=O)c1cc(Br)c[nH]1 ZINC000065538225 564107265 /nfs/dbraw/zinc/10/72/65/564107265.db2.gz AKSHIFMZWSRSES-UHFFFAOYSA-N 0 0 325.231 3.667 50 30 EHEARN N#Cc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000007395758 564107790 /nfs/dbraw/zinc/10/77/90/564107790.db2.gz JCFJZYXPBMIJDP-UHFFFAOYSA-N 0 0 334.158 3.905 50 30 EHEARN C=CCNC(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000065591310 564107870 /nfs/dbraw/zinc/10/78/70/564107870.db2.gz YGBCYNHCYHPANU-UHFFFAOYSA-N 0 0 326.396 3.720 50 30 EHEARN Cc1ncsc1CNc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000170608694 564109708 /nfs/dbraw/zinc/10/97/08/564109708.db2.gz UQBHRBWMDFUBKI-UHFFFAOYSA-N 0 0 327.331 3.876 50 30 EHEARN N#Cc1ccc(NCCc2ccc3c(c2)OCO3)cc1C(F)(F)F ZINC000170621706 564110212 /nfs/dbraw/zinc/11/02/12/564110212.db2.gz FRZHJZRQUVMBQT-UHFFFAOYSA-N 0 0 334.297 3.960 50 30 EHEARN CC/N=C1\S/C(=C\c2cn(CC)c3ccccc23)C(=O)N1CC ZINC000013555492 564111780 /nfs/dbraw/zinc/11/17/80/564111780.db2.gz ORGAEAUNIOWANL-UGZHYMOWSA-N 0 0 327.453 3.973 50 30 EHEARN Fc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000252429391 564118389 /nfs/dbraw/zinc/11/83/89/564118389.db2.gz JVPSLSRRIAQQFO-UHFFFAOYSA-N 0 0 332.791 3.909 50 30 EHEARN C=CCSc1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 ZINC000007594326 564118783 /nfs/dbraw/zinc/11/87/83/564118783.db2.gz RHTQPLSTKOZQAV-UHFFFAOYSA-N 0 0 335.454 3.856 50 30 EHEARN COc1cc(/C=C/c2ccc(C#N)cn2)cc(Br)c1O ZINC000193445697 564119526 /nfs/dbraw/zinc/11/95/26/564119526.db2.gz RILMBIGNBXKAHH-DUXPYHPUSA-N 0 0 331.169 3.600 50 30 EHEARN N#Cc1ccc(CNC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000194090237 564120378 /nfs/dbraw/zinc/12/03/78/564120378.db2.gz WGLMXQJOLVZVPR-UXHICEINSA-N 0 0 349.434 3.525 50 30 EHEARN COc1ccc(-c2cnnc(N=NCc3cc(C)ccc3C)n2)cc1 ZINC000252591357 564120954 /nfs/dbraw/zinc/12/09/54/564120954.db2.gz BAKALVSYFNZTMA-UHFFFAOYSA-N 0 0 333.395 3.610 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)CCC2 ZINC000007705043 564122108 /nfs/dbraw/zinc/12/21/08/564122108.db2.gz JNBHIYFGHCXALJ-UHFFFAOYSA-N 0 0 331.375 3.991 50 30 EHEARN COc1ccc(O)c(CN=Nc2nc(C)cc(-c3ccccc3)n2)c1 ZINC000252630214 564123559 /nfs/dbraw/zinc/12/35/59/564123559.db2.gz UXGXNUUESZOELL-UHFFFAOYSA-N 0 0 334.379 3.612 50 30 EHEARN N#Cc1cc(F)c(N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(F)c1 ZINC000253417559 564130873 /nfs/dbraw/zinc/13/08/73/564130873.db2.gz AMFDXRAYESRQQB-GPMSIDNRSA-N 0 0 340.373 3.845 50 30 EHEARN C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CCCC3 ZINC000002293678 564131728 /nfs/dbraw/zinc/13/17/28/564131728.db2.gz XXLSEIYYAXHCJY-UHFFFAOYSA-N 0 0 349.459 3.938 50 30 EHEARN N#Cc1nc(Oc2cncc(Br)c2)ccc1C(F)(F)F ZINC000252499465 564133758 /nfs/dbraw/zinc/13/37/58/564133758.db2.gz SBBSSTQMQGLYMV-UHFFFAOYSA-N 0 0 344.090 3.922 50 30 EHEARN N#Cc1ccc(CC(=O)c2ccccc2I)cc1 ZINC000002393052 564134465 /nfs/dbraw/zinc/13/44/65/564134465.db2.gz CAEASFUZOGJQNY-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN Cn1cc(-c2cc(-c3ccco3)nc(N)c2C#N)c(-c2ccccc2)n1 ZINC000067514312 564134825 /nfs/dbraw/zinc/13/48/25/564134825.db2.gz ZKTSAQMUTLKYLG-UHFFFAOYSA-N 0 0 341.374 3.863 50 30 EHEARN CCOCC(C)(C)NC(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC000426685225 564135091 /nfs/dbraw/zinc/13/50/91/564135091.db2.gz BNQZRNSXCMKSJE-UHFFFAOYSA-N 0 0 340.398 3.909 50 30 EHEARN Cc1sc(NC(=O)[C@@H]2CCCO2)c(C#N)c1-c1ccc(F)cc1 ZINC000013328533 564136219 /nfs/dbraw/zinc/13/62/19/564136219.db2.gz JIIROSCBRNTALK-AWEZNQCLSA-N 0 0 330.384 3.852 50 30 EHEARN Cn1nc([C@H]2CCCOC2)cc1NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000328588719 564136624 /nfs/dbraw/zinc/13/66/24/564136624.db2.gz VNRDDZMDZYMZAH-YQQAZPJKSA-N 0 0 346.475 3.609 50 30 EHEARN C=C(C)CN(CC)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000095399561 564139501 /nfs/dbraw/zinc/13/95/01/564139501.db2.gz TVNNSBNYFFNUER-UHFFFAOYSA-N 0 0 332.444 3.983 50 30 EHEARN Cc1cc2ccccc2n1CC(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000095462354 564140847 /nfs/dbraw/zinc/14/08/47/564140847.db2.gz BBRLVWZDDNAIBU-UHFFFAOYSA-N 0 0 344.418 3.734 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)c1nc2ccccc2s1 ZINC000095980871 564143674 /nfs/dbraw/zinc/14/36/74/564143674.db2.gz NNYGNFXVGQGOPD-UHFFFAOYSA-N 0 0 338.392 3.626 50 30 EHEARN CCN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1Cl ZINC000095995671 564144268 /nfs/dbraw/zinc/14/42/68/564144268.db2.gz UMVNLMAWKYRNIB-UHFFFAOYSA-N 0 0 334.828 3.735 50 30 EHEARN COc1cc(N[C@H](C)c2ccc(C#N)cc2)ccc1N1CCCC1=O ZINC000096436864 564148070 /nfs/dbraw/zinc/14/80/70/564148070.db2.gz DASZQQONSQERTB-CQSZACIVSA-N 0 0 335.407 3.867 50 30 EHEARN Cc1c(Cl)cccc1N1CCCN(C[C@@H](C#N)CCC#N)CC1 ZINC000284695547 564149192 /nfs/dbraw/zinc/14/91/92/564149192.db2.gz IDMAAKWBFUYXPX-MRXNPFEDSA-N 0 0 330.863 3.604 50 30 EHEARN Cc1cc(C(F)(F)F)c(C#N)c(SCCCn2ccnc2)n1 ZINC000097050383 564149301 /nfs/dbraw/zinc/14/93/01/564149301.db2.gz ZYOCECMOFPAPSV-UHFFFAOYSA-N 0 0 326.347 3.659 50 30 EHEARN Cc1noc(C)c1[C@@H](C)NCc1ccc(C#N)cc1Br ZINC000097109850 564149450 /nfs/dbraw/zinc/14/94/50/564149450.db2.gz XLHVMCLADOEPRJ-SECBINFHSA-N 0 0 334.217 3.776 50 30 EHEARN N#Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1 ZINC000225651023 564150145 /nfs/dbraw/zinc/15/01/45/564150145.db2.gz VMTCESZFZJLXMF-UHFFFAOYSA-N 0 0 347.443 3.931 50 30 EHEARN Cc1ccc(-n2c(SCC#N)nc3cc(Cl)ccc3c2=O)cc1 ZINC000002619402 564151196 /nfs/dbraw/zinc/15/11/96/564151196.db2.gz SBZSUPYMOXGOJX-UHFFFAOYSA-N 0 0 341.823 3.963 50 30 EHEARN N#Cc1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc2c1CCC2 ZINC000003305318 564157250 /nfs/dbraw/zinc/15/72/50/564157250.db2.gz PKVISPHEMRAYLN-UHFFFAOYSA-N 0 0 340.301 3.917 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCCCCCC3)sc2C1 ZINC000003345213 564157500 /nfs/dbraw/zinc/15/75/00/564157500.db2.gz PUNFLPHWYHIZCD-AWEZNQCLSA-N 0 0 345.512 3.949 50 30 EHEARN N#Cc1ccsc1NC(=O)CSc1nc2ccccc2s1 ZINC000003503874 564158516 /nfs/dbraw/zinc/15/85/16/564158516.db2.gz LTCCBPXJXDYUHU-UHFFFAOYSA-N 0 0 331.447 3.960 50 30 EHEARN N#Cc1ccccc1CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000003536761 564158830 /nfs/dbraw/zinc/15/88/30/564158830.db2.gz IKHGQQQMBLGCBM-UHFFFAOYSA-N 0 0 337.360 3.629 50 30 EHEARN CCN(C[C@@H](C)C#N)Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000058438180 564159128 /nfs/dbraw/zinc/15/91/28/564159128.db2.gz XPOBHROKRKUGSU-VIFPVBQESA-N 0 0 344.271 3.611 50 30 EHEARN Cc1ccn(Cc2csc(Nc3ccccc3C)n2)c(=O)c1C#N ZINC000163838173 564159389 /nfs/dbraw/zinc/15/93/89/564159389.db2.gz JXBPHQSETUEEOA-UHFFFAOYSA-N 0 0 336.420 3.585 50 30 EHEARN N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)C12CCSCC2 ZINC000004111561 564160641 /nfs/dbraw/zinc/16/06/41/564160641.db2.gz UQXPGNPYFYZKNM-KUNBBXKYSA-N 0 0 340.492 3.949 50 30 EHEARN C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)n1ccnc1 ZINC000066840711 564164328 /nfs/dbraw/zinc/16/43/28/564164328.db2.gz WOXRTIDGBFYYGG-AWEZNQCLSA-N 0 0 332.363 3.747 50 30 EHEARN Cc1c([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc(C#N)n1C ZINC000008721453 564166947 /nfs/dbraw/zinc/16/69/47/564166947.db2.gz WHVWEIXDLQGYCI-IBGZPJMESA-N 0 0 334.423 3.714 50 30 EHEARN CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCCC#N ZINC000068897187 564167806 /nfs/dbraw/zinc/16/78/06/564167806.db2.gz GZRYDIJXNXWNJO-UHFFFAOYSA-N 0 0 349.283 3.839 50 30 EHEARN C[C@H](C#N)Sc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000009049466 564168683 /nfs/dbraw/zinc/16/86/83/564168683.db2.gz FHFKZWTUGCCTGS-LLVKDONJSA-N 0 0 327.434 3.510 50 30 EHEARN CC(=NOCc1coc(-c2ccccc2Cl)n1)c1cnn(C)c1 ZINC000245312453 564169041 /nfs/dbraw/zinc/16/90/41/564169041.db2.gz JIABDPLRCDHRRF-UHFFFAOYSA-N 0 0 330.775 3.669 50 30 EHEARN Cc1cccc(N(CCC#N)C(=O)c2ccc(-c3ccco3)[nH]c2=O)c1 ZINC000069561552 564170464 /nfs/dbraw/zinc/17/04/64/564170464.db2.gz LCIWISXSJMKUEF-UHFFFAOYSA-N 0 0 347.374 3.504 50 30 EHEARN Cn1c(-c2ccccc2Cl)nn(CN(CCC#N)C2CC2)c1=S ZINC000069921301 564172813 /nfs/dbraw/zinc/17/28/13/564172813.db2.gz ZUBYKZSTOVDSLC-UHFFFAOYSA-N 0 0 347.875 3.607 50 30 EHEARN C=CC[C@@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1ccncc1 ZINC000069973301 564172979 /nfs/dbraw/zinc/17/29/79/564172979.db2.gz SOBUDRSEPGAVAC-OAHLLOKOSA-N 0 0 342.443 3.518 50 30 EHEARN C[C@@H](c1cccs1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009458949 564173769 /nfs/dbraw/zinc/17/37/69/564173769.db2.gz WFBPKQYCNDITAA-NSHDSACASA-N 0 0 345.493 3.801 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000009458700 564173759 /nfs/dbraw/zinc/17/37/59/564173759.db2.gz HITOSPJQVKLVEU-GFCCVEGCSA-N 0 0 344.798 3.935 50 30 EHEARN C=CCn1c2ccc(SC)cc2s/c1=N/C(=O)c1cc(C)on1 ZINC000101025841 1017043018 /nfs/dbraw/zinc/04/30/18/1017043018.db2.gz HPQGAUUOSQVLNQ-WUKNDPDISA-N 0 0 345.449 3.648 50 30 EHEARN NC(=NOCC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC000060741863 1032787798 /nfs/dbraw/zinc/78/77/98/1032787798.db2.gz SRKMQRXIQVZRJZ-UHFFFAOYSA-N 0 0 337.423 3.771 50 30 EHEARN N#C[C@@]1(NC(=O)/C=C/c2c(Cl)cccc2Cl)CCSC1 ZINC000084339015 1031459220 /nfs/dbraw/zinc/45/92/20/1031459220.db2.gz AORVLEXWTMMYHQ-NNTXTVRGSA-N 0 0 327.236 3.522 50 30 EHEARN COc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccccc2C#N)cc1 ZINC000096930911 1039546490 /nfs/dbraw/zinc/54/64/90/1039546490.db2.gz RKMHYFSCLFPULK-IMTHGLKYSA-N 0 0 332.403 3.944 50 30 EHEARN Cc1ncc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)c(C)n1 ZINC000297960615 1040850867 /nfs/dbraw/zinc/85/08/67/1040850867.db2.gz VQTXYHRWKINCRS-UWVGGRQHSA-N 0 0 340.452 3.965 50 30 EHEARN Cc1ccc2oc(N3CCN([C@H](C)c4cccc(C#N)c4)CC3)nc2c1 ZINC000182740754 1125363279 /nfs/dbraw/zinc/36/32/79/1125363279.db2.gz PWONPSWJHSCVNO-MRXNPFEDSA-N 0 0 346.434 3.891 50 30 EHEARN C=CCc1cc(C(=O)N[C@H](C)c2c(C)nn(CC)c2C)ccc1OC ZINC000820505616 1130878569 /nfs/dbraw/zinc/87/85/69/1130878569.db2.gz HSRFOTFEYCGOCT-CYBMUJFWSA-N 0 0 341.455 3.748 50 30 EHEARN N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000585113326 1137003210 /nfs/dbraw/zinc/00/32/10/1137003210.db2.gz OIJHJNQRPAVJKT-GOSISDBHSA-N 0 0 343.789 3.572 50 30 EHEARN C=C(C)C[C@@H](C)C(=O)NCCCc1nc(-c2ccccn2)cs1 ZINC000585126281 1137016943 /nfs/dbraw/zinc/01/69/43/1137016943.db2.gz VCHBGVPEUFNHHI-CQSZACIVSA-N 0 0 329.469 3.856 50 30 EHEARN C#CCCC1(CCC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)N=N1 ZINC000952880780 1137483286 /nfs/dbraw/zinc/48/32/86/1137483286.db2.gz IHDUKMPHPQZJLU-OLZOCXBDSA-N 0 0 329.366 3.827 50 30 EHEARN C#CCCC1(CCC(=O)NC[C@@H]2CCCc3cc(OC)ccc32)N=N1 ZINC000952881006 1137483388 /nfs/dbraw/zinc/48/33/88/1137483388.db2.gz NIYLMJBCHZVSHZ-INIZCTEOSA-N 0 0 339.439 3.587 50 30 EHEARN COC1(OC)CC2(CN(c3cc(C#N)cc(C)n3)[C@@H]2c2ccccc2)C1 ZINC000952964361 1137483796 /nfs/dbraw/zinc/48/37/96/1137483796.db2.gz QLOYUKIBBJGMNW-LJQANCHMSA-N 0 0 349.434 3.592 50 30 EHEARN COc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000106586787 1139579468 /nfs/dbraw/zinc/57/94/68/1139579468.db2.gz MJIAOPBNPICKSW-RAXLEYEMSA-N 0 0 325.320 3.652 50 30 EHEARN C=CCN(C(=O)COC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000051356257 214091488 /nfs/dbraw/zinc/09/14/88/214091488.db2.gz NHNUVFYNWJTHMW-UHFFFAOYSA-N 0 0 329.783 3.716 50 30 EHEARN C=CCNc1ccccc1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1 ZINC000055099789 214274056 /nfs/dbraw/zinc/27/40/56/214274056.db2.gz TZCJPBPVOIVTES-INIZCTEOSA-N 0 0 340.427 3.768 50 30 EHEARN C=CCOc1c(Cl)cc(C(=O)N[C@H](CC)COC)cc1Cl ZINC000055568890 214330349 /nfs/dbraw/zinc/33/03/49/214330349.db2.gz CVBDFSBRYPEURJ-LLVKDONJSA-N 0 0 332.227 3.713 50 30 EHEARN C=CCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000064664919 214797541 /nfs/dbraw/zinc/79/75/41/214797541.db2.gz JBABWRXIDOOAEF-UHFFFAOYSA-N 0 0 325.799 3.654 50 30 EHEARN C=CCn1cc([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 ZINC000101370298 219124271 /nfs/dbraw/zinc/12/42/71/219124271.db2.gz IAKFYAPQMYQFLE-QGZVFWFLSA-N 0 0 346.386 3.580 50 30 EHEARN C#CCSc1nnc(C(C)C)c2cnn(-c3ccc(F)cc3)c21 ZINC000035596836 201744987 /nfs/dbraw/zinc/74/49/87/201744987.db2.gz QYLMGJQVLSQERP-UHFFFAOYSA-N 0 0 326.400 3.803 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccccn3)sc2C1 ZINC000008729251 201759100 /nfs/dbraw/zinc/75/91/00/201759100.db2.gz BNOWQIUYTNXNOR-LLVKDONJSA-N 0 0 343.477 3.870 50 30 EHEARN C[C@@H](c1ccccc1)N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000008844120 201762379 /nfs/dbraw/zinc/76/23/79/201762379.db2.gz ZOFFJBGAOFKFSD-LBPRGKRZSA-N 0 0 335.432 3.570 50 30 EHEARN C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(Br)c1 ZINC000012983331 201880517 /nfs/dbraw/zinc/88/05/17/201880517.db2.gz COZTUFUMFBIPHQ-NSHDSACASA-N 0 0 345.196 3.727 50 30 EHEARN C=CCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004050014 210107289 /nfs/dbraw/zinc/10/72/89/210107289.db2.gz AQCPBCOFNSIREQ-UHFFFAOYSA-N 0 0 328.393 3.970 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2ccc(C)c(C)c2)ccc1OCC#N ZINC000003371222 210020305 /nfs/dbraw/zinc/02/03/05/210020305.db2.gz AVCFZJQASIYYQX-RMKNXTFCSA-N 0 0 336.391 3.866 50 30 EHEARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C#N)n1 ZINC000003297713 209999750 /nfs/dbraw/zinc/99/97/50/209999750.db2.gz LZUHYDHRQUIOLY-SECBINFHSA-N 0 0 349.393 3.580 50 30 EHEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000002071934 209816858 /nfs/dbraw/zinc/81/68/58/209816858.db2.gz IMYZWLVKODBMAE-JTQLQIEISA-N 0 0 338.498 3.522 50 30 EHEARN CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCCC2)n1 ZINC000019794134 202021382 /nfs/dbraw/zinc/02/13/82/202021382.db2.gz JNBJIHHCYMVPGK-UHFFFAOYSA-N 0 0 330.844 3.991 50 30 EHEARN COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(C)cc1 ZINC000020033976 202030606 /nfs/dbraw/zinc/03/06/06/202030606.db2.gz QEKBDPQQIKUXQP-LICLKQGHSA-N 0 0 337.375 3.899 50 30 EHEARN N#CC1(NC(=O)CSC2=Nc3ccccc3CS2)CCCC1 ZINC000021627552 202067201 /nfs/dbraw/zinc/06/72/01/202067201.db2.gz CJVKOLFULAILCZ-UHFFFAOYSA-N 0 0 331.466 3.607 50 30 EHEARN N#CCc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)cc1 ZINC000021104908 202061720 /nfs/dbraw/zinc/06/17/20/202061720.db2.gz HRIQJISCEOYOTR-LJQANCHMSA-N 0 0 344.374 3.507 50 30 EHEARN CCCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000021480296 202065236 /nfs/dbraw/zinc/06/52/36/202065236.db2.gz NBOCXPUWSDUNHZ-UHFFFAOYSA-N 0 0 326.425 3.680 50 30 EHEARN CSc1ccccc1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028663751 202174986 /nfs/dbraw/zinc/17/49/86/202174986.db2.gz LYSDTNDRBPCALS-UHFFFAOYSA-N 0 0 331.828 3.984 50 30 EHEARN N#Cc1nc(COc2ccc3c(c2)OCO3)oc1NC1CCCCC1 ZINC000032093660 202221554 /nfs/dbraw/zinc/22/15/54/202221554.db2.gz ZZDIWNGAAJSZNI-UHFFFAOYSA-N 0 0 341.367 3.599 50 30 EHEARN Cc1cc(-c2cc(C(=O)OCC#N)c3c(C)noc3n2)c(C)s1 ZINC000032869694 202238214 /nfs/dbraw/zinc/23/82/14/202238214.db2.gz KQSNQNTUWSTDDS-UHFFFAOYSA-N 0 0 327.365 3.557 50 30 EHEARN Cc1cc(SCCC(=O)Nc2ccc(C#N)cc2)nc(C(C)C)n1 ZINC000032903455 202240840 /nfs/dbraw/zinc/24/08/40/202240840.db2.gz BBIGBEBVUBZTRN-UHFFFAOYSA-N 0 0 340.452 3.901 50 30 EHEARN Cc1cc(C)c(-n2c3c(cc(C#N)c2=O)C(=O)CC(C)(C)C3)c(C)c1 ZINC000032955195 202245469 /nfs/dbraw/zinc/24/54/69/202245469.db2.gz VJBKBKWYOHNAHB-UHFFFAOYSA-N 0 0 334.419 3.790 50 30 EHEARN Cc1ccc(CN2CCN(/N=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000033314837 202257584 /nfs/dbraw/zinc/25/75/84/202257584.db2.gz KVFMKQZHMDBQPJ-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN C#CCN1C(=O)S/C(=C\c2cccn2-c2cccc(C)c2C)C1=O ZINC000033286793 212916325 /nfs/dbraw/zinc/91/63/25/212916325.db2.gz GJZCXQNJLQUMKG-ATVHPVEESA-N 0 0 336.416 3.764 50 30 EHEARN O[C@H](C#Cc1ccccc1)c1ccccc1[C@H](O)C#Cc1ccccc1 ZINC000075278905 202381541 /nfs/dbraw/zinc/38/15/41/202381541.db2.gz DXQRJFBELMSSGG-DNQXCXABSA-N 0 0 338.406 3.857 50 30 EHEARN C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1ncc(-c2ccccc2)o1 ZINC000078055923 202395317 /nfs/dbraw/zinc/39/53/17/202395317.db2.gz QUBFUIYZATVYFD-LLVKDONJSA-N 0 0 347.403 3.915 50 30 EHEARN CC(=O)[C@@H]1C[C@H](C)[C@@H]2[C@@H]3C[C@@H]4O[C@@]45CC[C@H](O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000253502311 201187709 /nfs/dbraw/zinc/18/77/09/201187709.db2.gz BUDKLYQSLDHSFY-OIWIWBNLSA-N 0 0 346.511 3.973 50 30 EHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O ZINC000013655300 201366748 /nfs/dbraw/zinc/36/67/48/201366748.db2.gz AMWBRUXPWNKVBK-CCOVPTLTSA-N 0 0 338.359 3.552 50 30 EHEARN C=CCn1c2ncn(C[C@@H](C)c3ccccc3)c(=O)c2sc1=S ZINC000089904439 201370252 /nfs/dbraw/zinc/37/02/52/201370252.db2.gz ZWOFXQANIPPJTC-GFCCVEGCSA-N 0 0 343.477 3.979 50 30 EHEARN C/C=C\c1ccc(OCC(=O)Nc2sccc2C#N)c(OC)c1 ZINC000096305059 201375620 /nfs/dbraw/zinc/37/56/20/201375620.db2.gz PGJYQDYYUJROKK-ARJAWSKDSA-N 0 0 328.393 3.679 50 30 EHEARN O=C(/C=C\c1c(F)cccc1F)c1cccc(N2CCOC2=O)c1 ZINC000096313901 201376354 /nfs/dbraw/zinc/37/63/54/201376354.db2.gz QYJVNWOIDAGTER-FPLPWBNLSA-N 0 0 329.302 3.818 50 30 EHEARN COC(=O)c1sc2ncc(/C=C\C(=O)c3cccnc3)cc2c1C ZINC000096400762 201376651 /nfs/dbraw/zinc/37/66/51/201376651.db2.gz ZZQBALMNMVCDSD-WAYWQWQTSA-N 0 0 338.388 3.682 50 30 EHEARN N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000055771942 202698404 /nfs/dbraw/zinc/69/84/04/202698404.db2.gz PQWLKOGGZODWAV-UHFFFAOYSA-N 0 0 331.331 3.656 50 30 EHEARN Cc1cccc(OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000022476630 212300940 /nfs/dbraw/zinc/30/09/40/212300940.db2.gz DVEYFTQKWOUGJE-UHFFFAOYSA-N 0 0 347.336 3.561 50 30 EHEARN Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000194990 201446047 /nfs/dbraw/zinc/44/60/47/201446047.db2.gz FEMGAKXZWZBZFJ-IBGZPJMESA-N 0 0 339.435 3.915 50 30 EHEARN Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)n1 ZINC000000429962 201472903 /nfs/dbraw/zinc/47/29/03/201472903.db2.gz ADBHDDJESMAEQW-QGMBQPNBSA-N 0 0 349.225 3.578 50 30 EHEARN COc1cc(C#N)cc(Br)c1OC(=O)c1ccccc1 ZINC000000619479 201491109 /nfs/dbraw/zinc/49/11/09/201491109.db2.gz HVBUPASLLLEHCX-UHFFFAOYSA-N 0 0 332.153 3.549 50 30 EHEARN CC[C@@H](C#N)NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c21 ZINC000060342135 202781487 /nfs/dbraw/zinc/78/14/87/202781487.db2.gz ISTASUZABRSBPV-NSHDSACASA-N 0 0 340.408 3.600 50 30 EHEARN S=C1N=NC(c2ccncc2)N1N=Cc1cccc2ccccc12 ZINC000001306649 201501805 /nfs/dbraw/zinc/50/18/05/201501805.db2.gz OPOJGDGSNDRCQM-UDWIEESQSA-N 0 0 331.404 3.664 50 30 EHEARN N#CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1 ZINC000003328768 201566421 /nfs/dbraw/zinc/56/64/21/201566421.db2.gz MPEBKXRGDRRRRG-UHFFFAOYSA-N 0 0 327.796 3.655 50 30 EHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000005335579 201647201 /nfs/dbraw/zinc/64/72/01/201647201.db2.gz AODMHLFCICADGR-AWNIVKPZSA-N 0 0 348.402 3.668 50 30 EHEARN Cc1nc(SCC(=O)N[C@@H]2CCCC[C@H]2C)c(C#N)c(C)c1C ZINC000005089219 201638101 /nfs/dbraw/zinc/63/81/01/201638101.db2.gz JBOLRKNKMHZAEJ-BDJLRTHQSA-N 0 0 331.485 3.666 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N(C)c2ccccc2)n1 ZINC000005642739 201658114 /nfs/dbraw/zinc/65/81/14/201658114.db2.gz SRBVHPMLFDJYFS-CQSZACIVSA-N 0 0 325.437 3.714 50 30 EHEARN S=C(N/N=C/c1[nH]c2ccccc2c1Cl)NC1CCCCC1 ZINC000005904207 201668050 /nfs/dbraw/zinc/66/80/50/201668050.db2.gz HAVXTFVWKCFTLX-VCHYOVAHSA-N 0 0 334.876 3.952 50 30 EHEARN CCc1c(C)sc(NC(=O)c2c(OC)cccc2OC)c1C#N ZINC000006122875 201673940 /nfs/dbraw/zinc/67/39/40/201673940.db2.gz BOAFKJUMZNFWBS-UHFFFAOYSA-N 0 0 330.409 3.760 50 30 EHEARN C#CCN(CC=C)Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1 ZINC000020536776 212144613 /nfs/dbraw/zinc/14/46/13/212144613.db2.gz YRASOSXWMCSDSB-UHFFFAOYSA-N 0 0 331.419 3.860 50 30 EHEARN Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n(C)n1 ZINC000071185684 203087434 /nfs/dbraw/zinc/08/74/34/203087434.db2.gz KGYZCLNSSVPPCJ-UHFFFAOYSA-N 0 0 332.363 3.645 50 30 EHEARN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1Br)c1ccccn1 ZINC000071850172 203127620 /nfs/dbraw/zinc/12/76/20/203127620.db2.gz QLVDARAVZQQIMR-MCIONIFRSA-N 0 0 341.208 3.824 50 30 EHEARN NN=CC(=NNc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000100427706 203994177 /nfs/dbraw/zinc/99/41/77/203994177.db2.gz JWTQIUBRZVPDAH-ZLKNSNGMSA-N 0 0 335.194 3.589 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@H]2c2cccc(O)c2)C1 ZINC000102453380 204038498 /nfs/dbraw/zinc/03/84/98/204038498.db2.gz VPUZRIRTVLUHEA-KRWDZBQOSA-N 0 0 334.379 3.768 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC(COCc3ccccc3)CC2)cc1 ZINC000049028670 204363912 /nfs/dbraw/zinc/36/39/12/204363912.db2.gz HEHPHNHQCFQZRQ-UHFFFAOYSA-N 0 0 334.419 3.627 50 30 EHEARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000000616047 206245444 /nfs/dbraw/zinc/24/54/44/206245444.db2.gz DYLHONVTEJTUGM-LLVKDONJSA-N 0 0 345.196 3.727 50 30 EHEARN COc1ccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)cc1OC ZINC000004565505 206377850 /nfs/dbraw/zinc/37/78/50/206377850.db2.gz JBZRVLDDCKRMOY-ONNFQVAWSA-N 0 0 325.364 3.558 50 30 biogenic,in-vitro EHEARN C=CCn1c(CN(C)CCC)nnc1SCc1cccc(F)c1 ZINC000011815300 211250858 /nfs/dbraw/zinc/25/08/58/211250858.db2.gz KEDBFBJABQTRQA-UHFFFAOYSA-N 0 0 334.464 3.737 50 30 EHEARN C=C(C)Cn1cnc2c(sc3nc(C)c4c(c32)CCCC4)c1=O ZINC000009422051 211083103 /nfs/dbraw/zinc/08/31/03/211083103.db2.gz DKFLXTVMVQYDEX-UHFFFAOYSA-N 0 0 325.437 3.770 50 30 EHEARN C=C(C)CN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccccc1C ZINC000008780154 211006882 /nfs/dbraw/zinc/00/68/82/211006882.db2.gz ZULUMPYXJAAUNO-IBGZPJMESA-N 0 0 349.434 3.727 50 30 EHEARN Cc1cc(C)cc(C2=N/C(=C\c3cccc(OCC#N)c3)C(=O)O2)c1 ZINC000096130176 218616124 /nfs/dbraw/zinc/61/61/24/218616124.db2.gz IFKJBZVYLXKCPT-PDGQHHTCSA-N 0 0 332.359 3.550 50 30 EHEARN C=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000006589845 210659962 /nfs/dbraw/zinc/65/99/62/210659962.db2.gz FXJVPCJQILIFJX-ZDUSSCGKSA-N 0 0 338.436 3.737 50 30 EHEARN N#Cc1ccccc1COC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012748529 207243857 /nfs/dbraw/zinc/24/38/57/207243857.db2.gz UMUXIVLJUZQIIO-UHFFFAOYSA-N 0 0 343.386 3.590 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000096437106 218817009 /nfs/dbraw/zinc/81/70/09/218817009.db2.gz MCYXOXSFZYSHIW-CQSZACIVSA-N 0 0 343.452 3.883 50 30 EHEARN C=CCNC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000004821369 210287835 /nfs/dbraw/zinc/28/78/35/210287835.db2.gz OBLIRYMMMLYSHR-UHFFFAOYSA-N 0 0 339.782 3.973 50 30 EHEARN N#Cc1cc(F)c(C(=O)Nc2ccc(SC(F)F)nc2)c(F)c1 ZINC000129387983 257971640 /nfs/dbraw/zinc/97/16/40/257971640.db2.gz MABPNINZPIDEHK-UHFFFAOYSA-N 0 0 341.289 3.798 50 30 EHEARN C=C(C)Cn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 ZINC000007345937 258043746 /nfs/dbraw/zinc/04/37/46/258043746.db2.gz JMNMBTGBQRCUSC-UHFFFAOYSA-N 0 0 333.435 3.975 50 30 EHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O ZINC000005196398 258002822 /nfs/dbraw/zinc/00/28/22/258002822.db2.gz AEQODJXVBDUJLE-DHDCSXOGSA-N 0 0 344.388 3.615 50 30 EHEARN C=CCN1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)CCC1=O ZINC000299769393 258006297 /nfs/dbraw/zinc/00/62/97/258006297.db2.gz MUWXHRJKECZOBR-UHFFFAOYSA-N 0 0 344.842 3.820 50 30 EHEARN C=CCOc1ccccc1CNC(=O)N[C@H](C)c1nc(C)cs1 ZINC000071897769 258015399 /nfs/dbraw/zinc/01/53/99/258015399.db2.gz LKCNYIMIDBBGNS-CYBMUJFWSA-N 0 0 331.441 3.577 50 30 EHEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)C(C)(C)C ZINC000002450870 258016429 /nfs/dbraw/zinc/01/64/29/258016429.db2.gz SYEPVLNXRVXGNS-UHFFFAOYSA-N 0 0 345.468 3.750 50 30 EHEARN CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OCC#N)cc2)cc1 ZINC000006083856 258051802 /nfs/dbraw/zinc/05/18/02/258051802.db2.gz PSHSUXOOHONHFL-AWEZNQCLSA-N 0 0 337.375 3.580 50 30 EHEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccnc1 ZINC000019923570 258057144 /nfs/dbraw/zinc/05/71/44/258057144.db2.gz OFWBFMOWZCTFAA-YOEHRIQHSA-N 0 0 330.428 3.582 50 30 EHEARN C[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000068336023 258063347 /nfs/dbraw/zinc/06/33/47/258063347.db2.gz CNNWZFCHPQEMHL-RNCFNFMXSA-N 0 0 329.787 3.601 50 30 EHEARN CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000254047956 258073535 /nfs/dbraw/zinc/07/35/35/258073535.db2.gz UAMNQIUKJVUQMR-STHVQZNPSA-N 0 0 330.468 3.838 50 30 EHEARN CCOC(=O)[C@@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000064438688 132806593 /nfs/dbraw/zinc/80/65/93/132806593.db2.gz LZGQZOKFMDCXIL-GFCCVEGCSA-N 0 0 343.814 3.539 50 30 EHEARN C=C(C)COc1cccc(C(=O)N(C)Cc2cc(CCC)n[nH]2)c1 ZINC000055242778 518617737 /nfs/dbraw/zinc/61/77/37/518617737.db2.gz AYUUQCIUOQBIAB-UHFFFAOYSA-N 0 0 327.428 3.589 50 30 EHEARN C=CCCC(=O)N1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000015071997 518693644 /nfs/dbraw/zinc/69/36/44/518693644.db2.gz FJSRDXPHUYBHCK-NRFANRHFSA-N 0 0 346.515 3.764 50 30 EHEARN C=CCN(C[C@H]1CC(c2ccc(C)cc2)=NO1)C(=O)C1CCCC1 ZINC000006871018 518775814 /nfs/dbraw/zinc/77/58/14/518775814.db2.gz SWVCDOIPWWNOSL-GOSISDBHSA-N 0 0 326.440 3.693 50 30 EHEARN C=CCc1ccc(OCC(=O)Nc2cccc3cccnc32)c(OC)c1 ZINC000006846308 519136624 /nfs/dbraw/zinc/13/66/24/519136624.db2.gz OJGLZYUQSNTRFY-UHFFFAOYSA-N 0 0 348.402 3.989 50 30 EHEARN CCCCCCCCOC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O ZINC000008686203 520039172 /nfs/dbraw/zinc/03/91/72/520039172.db2.gz JKKZVBMXMRLFNS-UHFFFAOYSA-N 0 0 326.462 3.616 50 30 EHEARN CCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 ZINC000003575065 520251300 /nfs/dbraw/zinc/25/13/00/520251300.db2.gz XKLAXZVETKCPGH-XDJHFCHBSA-N 0 0 346.452 3.568 50 30 EHEARN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nc(C)c(C)o2)C12CCCCC2 ZINC000328593151 520342540 /nfs/dbraw/zinc/34/25/40/520342540.db2.gz JSKDCSKBEJPSJQ-HUUCEWRRSA-N 0 0 335.448 3.897 50 30 EHEARN COc1cc(C)ccc1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000012544028 522256785 /nfs/dbraw/zinc/25/67/85/522256785.db2.gz LOYSYNZKEQDQHU-UXBLZVDNSA-N 0 0 337.419 3.736 50 30 EHEARN COc1cc(C)ccc1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000014244714 522256875 /nfs/dbraw/zinc/25/68/75/522256875.db2.gz AHYDNPQPKRKLJV-VQHVLOKHSA-N 0 0 342.391 3.926 50 30 EHEARN COc1ccc(-c2nc(C)c(C(=O)Nc3nnc(C)s3)s2)cc1 ZINC000018083411 523193545 /nfs/dbraw/zinc/19/35/45/523193545.db2.gz FIDZENXKBOUIQV-UHFFFAOYSA-N 0 0 346.437 3.923 50 30 EHEARN N#CCCSc1ccccc1NC(=O)NCCOc1ccccc1 ZINC000069618631 526463980 /nfs/dbraw/zinc/46/39/80/526463980.db2.gz KAZNULSKUPLKOK-UHFFFAOYSA-N 0 0 341.436 3.893 50 30 EHEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1C1CCCCC1 ZINC000000034333 563211772 /nfs/dbraw/zinc/21/17/72/563211772.db2.gz FOYWKWLNIFGTDK-HNNXBMFYSA-N 0 0 347.455 3.590 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C)cc1 ZINC000000090431 563222074 /nfs/dbraw/zinc/22/20/74/563222074.db2.gz MQAJJYWKBLPPGG-GOSISDBHSA-N 0 0 345.398 3.736 50 30 EHEARN COc1ccc(/C=N/OC(=O)c2ccc(C)cc2)c(Cl)c1OC ZINC000000132872 563239087 /nfs/dbraw/zinc/23/90/87/563239087.db2.gz KQTAUMSEOPPESD-VXLYETTFSA-N 0 0 333.771 3.857 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc(Cl)c2)C1 ZINC000000151180 563246433 /nfs/dbraw/zinc/24/64/33/563246433.db2.gz XILWDWRQRJAEQE-HNNXBMFYSA-N 0 0 328.803 3.590 50 30 EHEARN Cc1cccc(C(=O)ON=C2C=C(Br)C(=O)C(C)=C2C)c1 ZINC000000265588 563268811 /nfs/dbraw/zinc/26/88/11/563268811.db2.gz XSZNDKVULKMMDV-NBVRZTHBSA-N 0 0 348.196 3.706 50 30 EHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C)o2)C1=O ZINC000000472942 563332486 /nfs/dbraw/zinc/33/24/86/563332486.db2.gz GDGVNIGPIKISGR-UVTDQMKNSA-N 0 0 341.388 3.742 50 30 EHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 ZINC000002069370 563421089 /nfs/dbraw/zinc/42/10/89/563421089.db2.gz FUJUKRTUKNOMKZ-SFHVURJKSA-N 0 0 343.398 3.747 50 30 EHEARN CCCOc1ccc([N+](=O)[O-])cc1/C=C1\N=C(SC)SC1=O ZINC000002882632 563461110 /nfs/dbraw/zinc/46/11/10/563461110.db2.gz QHRLMGZJGGTMBI-FLIBITNWSA-N 0 0 338.410 3.717 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(F)c(C)c1 ZINC000010552069 563497215 /nfs/dbraw/zinc/49/72/15/563497215.db2.gz OVYCUMTYTBKEAU-UHFFFAOYSA-N 0 0 337.354 3.628 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000002705525 563603241 /nfs/dbraw/zinc/60/32/41/563603241.db2.gz FXCWCWGFSZIAAQ-HNNXBMFYSA-N 0 0 343.379 3.652 50 30 EHEARN C=CCSCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000071916587 563621669 /nfs/dbraw/zinc/62/16/69/563621669.db2.gz QFDPLPFTLJUUQG-MRXNPFEDSA-N 0 0 345.443 3.799 50 30 EHEARN O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000008378785 563628353 /nfs/dbraw/zinc/62/83/53/563628353.db2.gz DCWKORHXVOWBFN-UHFFFAOYSA-N 0 0 337.622 3.903 50 30 EHEARN COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1Br ZINC000012371076 563658752 /nfs/dbraw/zinc/65/87/52/563658752.db2.gz HFROUQIJSZAERV-CHHVJCJISA-N 0 0 347.164 3.780 50 30 EHEARN CCCSc1nsc(NC(=O)c2cc(=O)[nH]c3ccccc32)n1 ZINC000012975447 563680261 /nfs/dbraw/zinc/68/02/61/563680261.db2.gz BONYUSITNBAASB-UHFFFAOYSA-N 0 0 346.437 3.518 50 30 EHEARN CCOc1cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)ccc1O ZINC000004492334 563733832 /nfs/dbraw/zinc/73/38/32/563733832.db2.gz UDKBNRUFZZJDMA-AERZKKPOSA-N 0 0 346.255 3.932 50 30 EHEARN CC/N=C1\S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1CC ZINC000014011403 563735232 /nfs/dbraw/zinc/73/52/32/563735232.db2.gz IBKKCWGDGBYWQH-DCBMACRLSA-N 0 0 343.496 3.989 50 30 EHEARN Cc1nc(COc2ccc(/C=C/C(=O)c3cccs3)cc2)no1 ZINC000058201027 563939666 /nfs/dbraw/zinc/93/96/66/563939666.db2.gz QKFNEZMSWVRYRR-RMKNXTFCSA-N 0 0 326.377 3.915 50 30 EHEARN Cc1cc(NC(=O)Cc2c(Cl)cccc2Cl)n(CCC#N)n1 ZINC000058244781 563940530 /nfs/dbraw/zinc/94/05/30/563940530.db2.gz WXJWWOAEKRDWPU-UHFFFAOYSA-N 0 0 337.210 3.593 50 30 EHEARN N#Cc1ccc(CN2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000097941243 563950853 /nfs/dbraw/zinc/95/08/53/563950853.db2.gz JPUMHKGOFNGIRT-SFHVURJKSA-N 0 0 329.407 3.680 50 30 EHEARN CCOc1ccccc1OCCn1c(C)nnc1-c1cccc(C#N)c1 ZINC000096428980 563952257 /nfs/dbraw/zinc/95/22/57/563952257.db2.gz RZHAPPKZWMZKEB-UHFFFAOYSA-N 0 0 348.406 3.603 50 30 EHEARN CN(CCC#N)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000096461242 563954040 /nfs/dbraw/zinc/95/40/40/563954040.db2.gz NFASJOVRQFYXQU-UHFFFAOYSA-N 0 0 330.775 3.905 50 30 EHEARN COc1cccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000096765518 563962311 /nfs/dbraw/zinc/96/23/11/563962311.db2.gz UCLWVZHTGDFFOF-YVMONPNESA-N 0 0 341.382 3.567 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C\c1cc3c(c(Cl)c1)OCO3)CO2 ZINC000210381116 563963210 /nfs/dbraw/zinc/96/32/10/563963210.db2.gz MXDXCCXHONTBQB-WCIBSUBMSA-N 0 0 344.750 3.736 50 30 EHEARN N#Cc1ccsc1NC(=O)c1csc(Cc2ccccc2)n1 ZINC000033151366 563963954 /nfs/dbraw/zinc/96/39/54/563963954.db2.gz KZDKSVFYNZPFJK-UHFFFAOYSA-N 0 0 325.418 3.919 50 30 EHEARN CC(C)n1nccc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000097101961 563967710 /nfs/dbraw/zinc/96/77/10/563967710.db2.gz VQNOELQPLUKEFT-UHFFFAOYSA-N 0 0 340.471 3.789 50 30 EHEARN COc1ccc(C(=O)/C=C2\Sc3cc(OC)ccc3NC2=O)cc1 ZINC000000033432 563967762 /nfs/dbraw/zinc/96/77/62/563967762.db2.gz XVJNHSLFOUKWGE-YVLHZVERSA-N 0 0 341.388 3.515 50 30 EHEARN COCCOc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000098008735 563971067 /nfs/dbraw/zinc/97/10/67/563971067.db2.gz WSYDMMMIYHXWLW-YHYXMXQVSA-N 0 0 327.336 3.516 50 30 EHEARN C#CCNC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000060671234 563973149 /nfs/dbraw/zinc/97/31/49/563973149.db2.gz JVGQKYYCIZXMJE-UHFFFAOYSA-N 0 0 326.465 3.929 50 30 EHEARN CC(C)(C#N)CCN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000097599181 563973543 /nfs/dbraw/zinc/97/35/43/563973543.db2.gz XUKJJGQRULMQJA-HXUWFJFHSA-N 0 0 335.407 3.547 50 30 EHEARN C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100043595 563982315 /nfs/dbraw/zinc/98/23/15/563982315.db2.gz HRWGQHSSZRFTGP-UWTATZPHSA-N 0 0 346.111 3.809 50 30 EHEARN COc1cc(NC=C2C(=O)CC(C)(C)CC2=O)c(OC)cc1Cl ZINC000100716006 563982710 /nfs/dbraw/zinc/98/27/10/563982710.db2.gz HBWAXSGNKZKEGC-UHFFFAOYSA-N 0 0 337.803 3.611 50 30 EHEARN N#Cc1cccc(CSc2nnc(NCc3ccco3)s2)c1 ZINC000014180733 563983372 /nfs/dbraw/zinc/98/33/72/563983372.db2.gz LPDUAPOEVFAWSF-UHFFFAOYSA-N 0 0 328.422 3.907 50 30 EHEARN Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000014386563 563984070 /nfs/dbraw/zinc/98/40/70/563984070.db2.gz LFUBQPWMDPXQEG-INIZCTEOSA-N 0 0 349.434 3.873 50 30 EHEARN C=CCc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1O ZINC000000127068 563986870 /nfs/dbraw/zinc/98/68/70/563986870.db2.gz PECVJESIQKSBTF-HYARGMPZSA-N 0 0 347.418 3.669 50 30 EHEARN O=c1c2[nH]c3ccc(F)cc3c2ncn1/N=C/c1ccc(Cl)cc1 ZINC000000325950 563991248 /nfs/dbraw/zinc/99/12/48/563991248.db2.gz DCPAYVXCCBVCCV-ODCIPOBUSA-N 0 0 340.745 3.553 50 30 EHEARN C[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000004952360 563993282 /nfs/dbraw/zinc/99/32/82/563993282.db2.gz OBAYXSPGGAXNFA-TWRKLKJHSA-N 0 0 347.440 3.741 50 30 EHEARN N#Cc1c(SCc2ccccc2Cl)sc2c1[nH]c(=O)[nH]c2=O ZINC000004987659 563993573 /nfs/dbraw/zinc/99/35/73/563993573.db2.gz ISVYUFSUWLIICY-UHFFFAOYSA-N 0 0 349.824 3.508 50 30 EHEARN CC(=NO)c1ccc(OCCOc2ccc(C(C)=NO)cc2)cc1 ZINC000252632225 563998038 /nfs/dbraw/zinc/99/80/38/563998038.db2.gz VRBLJIMDNCZYKK-UHFFFAOYSA-N 0 0 328.368 3.541 50 30 EHEARN Cc1nscc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000179497544 564001991 /nfs/dbraw/zinc/00/19/91/564001991.db2.gz NKIWIQFWHHQHOF-UHFFFAOYSA-N 0 0 340.433 3.623 50 30 EHEARN CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000005385042 564003328 /nfs/dbraw/zinc/00/33/28/564003328.db2.gz KNHFFNADYHDXKQ-FBMGVBCBSA-N 0 0 336.844 3.741 50 30 EHEARN CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000181013516 564013759 /nfs/dbraw/zinc/01/37/59/564013759.db2.gz LEBKDCFPRVSOJC-CQSZACIVSA-N 0 0 335.411 3.919 50 30 EHEARN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CC/C=C/c2ccccc2)cc1 ZINC000101215790 564019339 /nfs/dbraw/zinc/01/93/39/564019339.db2.gz SVGATCIHIJEKKZ-SQUITACLSA-N 0 0 348.402 3.836 50 30 EHEARN N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccc2c(c1)OCO2 ZINC000000536006 564022127 /nfs/dbraw/zinc/02/21/27/564022127.db2.gz UTUYHCQPDBGBJS-UHFFFAOYSA-N 0 0 337.310 3.693 50 30 EHEARN Cn1ccnc1[C@H](C(=O)C=Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000103614999 564022828 /nfs/dbraw/zinc/02/28/28/564022828.db2.gz PEWGPYQJWZMMTM-VSRDTVRMSA-N 0 0 348.377 3.808 50 30 EHEARN COc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1O ZINC000003506315 564026332 /nfs/dbraw/zinc/02/63/32/564026332.db2.gz DXIRTIRDOIVKNP-WUXMJOGZSA-N 0 0 345.192 3.986 50 30 EHEARN C=CCn1c(=O)oc2cc(NC(=O)Nc3ccccc3F)ccc21 ZINC000046010633 564029165 /nfs/dbraw/zinc/02/91/65/564029165.db2.gz ZCOZNENZDZCUOI-UHFFFAOYSA-N 0 0 327.315 3.564 50 30 EHEARN O=C(N=C(NCc1cccnc1)Nc1ccccc1)c1cccc(F)c1 ZINC000046127046 564029628 /nfs/dbraw/zinc/02/96/28/564029628.db2.gz VJMXADLFVJUJAH-UHFFFAOYSA-N 0 0 348.381 3.619 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000049765651 564032888 /nfs/dbraw/zinc/03/28/88/564032888.db2.gz HXFYSCQNKCJQDQ-OXQOHEQNSA-N 0 0 349.434 3.864 50 30 EHEARN Cc1c(C(=O)NCC#Cc2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000025451082 564054417 /nfs/dbraw/zinc/05/44/17/564054417.db2.gz OGMIIUPSUCMUGW-UHFFFAOYSA-N 0 0 349.821 3.616 50 30 EHEARN CSc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 ZINC000005866833 564056748 /nfs/dbraw/zinc/05/67/48/564056748.db2.gz BZIQVOLXMMRHFS-QGZVFWFLSA-N 0 0 338.432 3.919 50 30 EHEARN C=C(C)Cn1cnc2c(oc3nc(CC(C)C)c4c(c32)CCC4)c1=O ZINC000012664552 564062545 /nfs/dbraw/zinc/06/25/45/564062545.db2.gz BJIHRTFEEBNSCT-UHFFFAOYSA-N 0 0 337.423 3.801 50 30 biogenic EHEARN C#CCN(C(=O)N[C@@H](COCC(C)C)c1ccco1)C1CCCCC1 ZINC000072230648 564063786 /nfs/dbraw/zinc/06/37/86/564063786.db2.gz TVMBGVAKCKZCCQ-SFHVURJKSA-N 0 0 346.471 3.971 50 30 EHEARN C=CCN(C(=O)c1ccnc(-n2ccnc2)c1)[C@H]1CCc2ccccc21 ZINC000058412550 564065304 /nfs/dbraw/zinc/06/53/04/564065304.db2.gz YYMHZEXLDXNOLJ-IBGZPJMESA-N 0 0 344.418 3.583 50 30 EHEARN C=C(C)CN(C)c1ncc(-c2cncnc2)c(-c2ccc(C)cc2)n1 ZINC000065425282 564066802 /nfs/dbraw/zinc/06/68/02/564066802.db2.gz RRTTZTKCJCQBIQ-UHFFFAOYSA-N 0 0 331.423 3.921 50 30 EHEARN C[C@@H](C#N)CNC(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000084638433 564069309 /nfs/dbraw/zinc/06/93/09/564069309.db2.gz PDJQEMMZXBVPSR-INIZCTEOSA-N 0 0 337.423 3.727 50 30 EHEARN O=[N+]([O-])c1c(F)c(F)c(OCCC#Cc2ccccc2)c(F)c1F ZINC000002207455 564074818 /nfs/dbraw/zinc/07/48/18/564074818.db2.gz NMYULSZDHRLDQX-UHFFFAOYSA-N 0 0 339.244 3.972 50 30 EHEARN C[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000006166726 564077123 /nfs/dbraw/zinc/07/71/23/564077123.db2.gz VSPVHAUHHAFJFU-DNGMLAEQSA-N 0 0 329.450 3.602 50 30 EHEARN N#Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1Cl ZINC000012888323 564077504 /nfs/dbraw/zinc/07/75/04/564077504.db2.gz DHWIJZHYHPFRTM-UHFFFAOYSA-N 0 0 342.782 3.554 50 30 EHEARN C=CCc1ccccc1OC[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000024097768 564078825 /nfs/dbraw/zinc/07/88/25/564078825.db2.gz BLWWMVZBNNVIMI-SFHVURJKSA-N 0 0 336.435 3.822 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000015988456 564079017 /nfs/dbraw/zinc/07/90/17/564079017.db2.gz LTDZNAOZXOQYPA-UHFFFAOYSA-N 0 0 347.374 3.589 50 30 EHEARN N#C[C@@H](NC(=O)c1[nH]nc(C2CC2)c1Cl)c1ccc(Cl)cc1 ZINC000088667589 564079695 /nfs/dbraw/zinc/07/96/95/564079695.db2.gz RUJOUZNEFFCCNG-LLVKDONJSA-N 0 0 335.194 3.589 50 30 EHEARN N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000241657586 564088380 /nfs/dbraw/zinc/08/83/80/564088380.db2.gz PXMPVFVVLAWEPF-ZACQAIPSSA-N 0 0 344.370 3.884 50 30 EHEARN COc1ccc2ncc(C#N)c(Nc3cc(OC)cc(OC)c3)c2c1 ZINC000064438799 564091320 /nfs/dbraw/zinc/09/13/20/564091320.db2.gz BAZYGDJILVLBHD-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000006627742 564094670 /nfs/dbraw/zinc/09/46/70/564094670.db2.gz SJZCJEAIRDFWTF-UHFFFAOYSA-N 0 0 327.192 3.666 50 30 EHEARN COc1cccc(-n2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)c1 ZINC000006672009 564095746 /nfs/dbraw/zinc/09/57/46/564095746.db2.gz XNWOWTIVYTVLQC-UHFFFAOYSA-N 0 0 341.436 3.521 50 30 EHEARN COc1nc(-c2ccccc(=O)c2O)cc(-c2cccc(C)c2)c1C#N ZINC000006755845 564097228 /nfs/dbraw/zinc/09/72/28/564097228.db2.gz FISAKVXACNKACR-UHFFFAOYSA-N 0 0 344.370 3.670 50 30 EHEARN N#Cc1ccccc1COC(=O)COc1ccc(Cl)cc1Cl ZINC000006839800 564099343 /nfs/dbraw/zinc/09/93/43/564099343.db2.gz MLOYNDAKXVUWDI-UHFFFAOYSA-N 0 0 336.174 3.987 50 30 EHEARN C[C@H](CC(=O)N[C@@]1(C#N)CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000066316909 564100674 /nfs/dbraw/zinc/10/06/74/564100674.db2.gz LWUPGVQISZGWTR-IAQYHMDHSA-N 0 0 342.386 3.714 50 30 EHEARN COc1ccc(-c2ncccc2CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000065171194 564102222 /nfs/dbraw/zinc/10/22/22/564102222.db2.gz FUIFBJDGNHUAQQ-UHFFFAOYSA-N 0 0 343.386 3.559 50 30 biogenic EHEARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000007003219 564102996 /nfs/dbraw/zinc/10/29/96/564102996.db2.gz HLRSEDLFLWEAEA-INIZCTEOSA-N 0 0 348.450 3.988 50 30 EHEARN N#Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000007056110 564103980 /nfs/dbraw/zinc/10/39/80/564103980.db2.gz GLFNTIAVPYGNSU-UHFFFAOYSA-N 0 0 327.192 3.666 50 30 EHEARN COc1ccc(CNc2ncc(Cl)c(C)c2C#N)c(OC)c1OC ZINC000239366898 564106603 /nfs/dbraw/zinc/10/66/03/564106603.db2.gz AGPLVYXBWSGAOD-UHFFFAOYSA-N 0 0 347.802 3.553 50 30 EHEARN Cc1cnc(NC(=O)c2occc2COc2cccc(C#N)c2)s1 ZINC000065625351 564108564 /nfs/dbraw/zinc/10/85/64/564108564.db2.gz IUSAIFKNDGCMRZ-UHFFFAOYSA-N 0 0 339.376 3.748 50 30 EHEARN COc1ccc2ncc(C#N)c(Nc3ccc(OC)c(OC)c3)c2c1 ZINC000016960172 564115496 /nfs/dbraw/zinc/11/54/96/564115496.db2.gz CKRZMQAFJIVWGW-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN Cc1ccc(C(=O)N2CCSCC2)cc1N[C@H]1CCC[C@H](C#N)C1 ZINC000252481737 564119167 /nfs/dbraw/zinc/11/91/67/564119167.db2.gz CRBIPZNEMHRZGR-RDJZCZTQSA-N 0 0 343.496 3.678 50 30 EHEARN N#Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 ZINC000007807742 564123597 /nfs/dbraw/zinc/12/35/97/564123597.db2.gz JNAOGLHGDXTPGI-UHFFFAOYSA-N 0 0 325.418 3.924 50 30 EHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2NCC#N ZINC000061992881 564129437 /nfs/dbraw/zinc/12/94/37/564129437.db2.gz WWGMIWNOEKZCJH-BNNPQOHJSA-N 0 0 330.516 3.872 50 30 biogenic EHEARN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2 ZINC000000035158 564132718 /nfs/dbraw/zinc/13/27/18/564132718.db2.gz NIHMORDTKDHDDV-UHFFFAOYSA-N 0 0 347.783 3.922 50 30 EHEARN CN(C)C(=O)Oc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000000075837 564132772 /nfs/dbraw/zinc/13/27/72/564132772.db2.gz DORKGUKGMZBQGM-UHFFFAOYSA-N 0 0 341.314 3.761 50 30 EHEARN N#Cc1cccnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066815644 564134604 /nfs/dbraw/zinc/13/46/04/564134604.db2.gz ZQEFLWNYEFCUEY-HNNXBMFYSA-N 0 0 334.206 3.838 50 30 EHEARN N#Cc1cccc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)n1 ZINC000067855141 564134921 /nfs/dbraw/zinc/13/49/21/564134921.db2.gz CJOKLUKRPRZUSG-OAHLLOKOSA-N 0 0 347.397 3.866 50 30 EHEARN CC(C)C[C@H]1COCCN1C(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426534045 564135082 /nfs/dbraw/zinc/13/50/82/564135082.db2.gz KOUJGQBEFAMMML-IBGZPJMESA-N 0 0 349.434 3.507 50 30 EHEARN [O-]C(=[NH+][C@H]1CCc2cc(Cl)ccc21)N1CCC(c2c[nH]cn2)CC1 ZINC000328587545 564136567 /nfs/dbraw/zinc/13/65/67/564136567.db2.gz AOMMZYJEDVEINQ-INIZCTEOSA-N 0 0 344.846 3.844 50 30 EHEARN Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc3c1OCC[C@@H]3O)O2 ZINC000328588802 564136611 /nfs/dbraw/zinc/13/66/11/564136611.db2.gz QEHROEDOEGIQHK-WMZOPIPTSA-N 0 0 339.391 3.793 50 30 EHEARN CCc1ccc2occ(C(=O)NCc3cn4c(n3)SCC4)c2c1 ZINC000328593620 564136786 /nfs/dbraw/zinc/13/67/86/564136786.db2.gz OKAFZBDBPQLIHW-UHFFFAOYSA-N 0 0 327.409 3.802 50 30 EHEARN N#Cc1ccccc1NC(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000078937228 564137403 /nfs/dbraw/zinc/13/74/03/564137403.db2.gz GNZFPWNEVWVJGH-KRWDZBQOSA-N 0 0 335.407 3.629 50 30 EHEARN CCSc1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000390834278 564138951 /nfs/dbraw/zinc/13/89/51/564138951.db2.gz VQNICIAWBQHWCQ-INIZCTEOSA-N 0 0 335.432 3.991 50 30 EHEARN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000095435994 564140417 /nfs/dbraw/zinc/14/04/17/564140417.db2.gz NRQSOJKURKVILZ-ZUZCIYMTSA-N 0 0 331.803 3.820 50 30 EHEARN Cc1cc([C@@H](C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)nc(C)n1 ZINC000095455130 564140651 /nfs/dbraw/zinc/14/06/51/564140651.db2.gz VJPNWQSZWXHBHZ-LLVKDONJSA-N 0 0 335.194 3.646 50 30 EHEARN CC(C)[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000095465737 564140980 /nfs/dbraw/zinc/14/09/80/564140980.db2.gz UGJDFNIDPDNEFP-INIZCTEOSA-N 0 0 347.365 3.569 50 30 EHEARN C=CCNC(=O)[C@@H](C)OC(=O)/C=C\c1sc2ccccc2c1Cl ZINC000096126334 564145712 /nfs/dbraw/zinc/14/57/12/564145712.db2.gz KWENKLSIHFRYNK-TYBABMIJSA-N 0 0 349.839 3.802 50 30 EHEARN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)c(Cl)c1 ZINC000156545484 564146220 /nfs/dbraw/zinc/14/62/20/564146220.db2.gz DJGLPOHUIBFKGI-UHFFFAOYSA-N 0 0 329.743 3.787 50 30 EHEARN CCn1cc(C(=O)/C=C\c2ccc(OCc3cscn3)cc2)cn1 ZINC000096400763 564147037 /nfs/dbraw/zinc/14/70/37/564147037.db2.gz HHCXKDCNBYXJHE-YVMONPNESA-N 0 0 339.420 3.835 50 30 EHEARN O=C(Cc1cccc(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000096409365 564147534 /nfs/dbraw/zinc/14/75/34/564147534.db2.gz VTZYKXLOVOLMHI-UHFFFAOYSA-N 0 0 343.242 3.712 50 30 EHEARN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC1(C#N)CC1 ZINC000096455704 564148271 /nfs/dbraw/zinc/14/82/71/564148271.db2.gz BKGZPZKDGFCFGR-SNVBAGLBSA-N 0 0 331.828 3.541 50 30 EHEARN CC(C)N(C(=O)c1cc(C#N)cn1C)c1cccc(C(F)(F)F)c1 ZINC000096476229 564148425 /nfs/dbraw/zinc/14/84/25/564148425.db2.gz XXXDAJYAXKDIEH-UHFFFAOYSA-N 0 0 335.329 3.971 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000096502448 564148787 /nfs/dbraw/zinc/14/87/87/564148787.db2.gz KRWCOWFIJGGHPD-AWEZNQCLSA-N 0 0 333.395 3.791 50 30 EHEARN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000002654226 564151949 /nfs/dbraw/zinc/15/19/49/564151949.db2.gz LQKKVJLSCGMNMN-LJQANCHMSA-N 0 0 349.434 3.650 50 30 EHEARN CC(C)Oc1cncc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c1 ZINC000162460524 564152902 /nfs/dbraw/zinc/15/29/02/564152902.db2.gz VZORXKVCEFXPDK-UHFFFAOYSA-N 0 0 347.321 3.594 50 30 EHEARN N#Cc1c[nH]c(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC000163089177 564156484 /nfs/dbraw/zinc/15/64/84/564156484.db2.gz MXAFARYMJARXHT-UHFFFAOYSA-N 0 0 345.855 3.937 50 30 EHEARN N#Cc1c2sc3ccccc3n2c(=O)c(C#N)c1-c1ccccc1 ZINC000003315934 564157301 /nfs/dbraw/zinc/15/73/01/564157301.db2.gz FFFRGWXPPUTOBV-UHFFFAOYSA-N 0 0 327.368 3.925 50 30 EHEARN N#Cc1ccc(C2=NN(c3ncccn3)[C@H](c3cccs3)C2)cc1 ZINC000058172710 564157918 /nfs/dbraw/zinc/15/79/18/564157918.db2.gz WRFJMQZYHQLBEN-INIZCTEOSA-N 0 0 331.404 3.765 50 30 EHEARN COc1ccc(Br)c(C(=O)Nc2cccc(C#N)c2)c1 ZINC000003603801 564159166 /nfs/dbraw/zinc/15/91/66/564159166.db2.gz IYYCJIBUBNISOM-UHFFFAOYSA-N 0 0 331.169 3.582 50 30 EHEARN CCOC(=O)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000004207796 564161134 /nfs/dbraw/zinc/16/11/34/564161134.db2.gz FGSJIKCEAAOECR-UHFFFAOYSA-N 0 0 349.202 3.772 50 30 EHEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCCCC2)c1C#N ZINC000008733891 564167067 /nfs/dbraw/zinc/16/70/67/564167067.db2.gz SUNMTOOBGUWUSP-UHFFFAOYSA-N 0 0 328.460 3.516 50 30 EHEARN CC[C@H](OC)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000068723256 564167637 /nfs/dbraw/zinc/16/76/37/564167637.db2.gz IRAYTZPOAQUIAX-ONGXEEELSA-N 0 0 342.342 3.916 50 30 EHEARN CS[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000069879378 564172612 /nfs/dbraw/zinc/17/26/12/564172612.db2.gz JKAWIHLXSMGEKE-GXFFZTMASA-N 0 0 327.434 3.610 50 30 EHEARN COc1ccc(NC(=CC(=O)C(=O)OC(C)C)c2ccccc2)cc1 ZINC000100364375 1016169275 /nfs/dbraw/zinc/16/92/75/1016169275.db2.gz YUUAEOTUZVOVEZ-QGOAFFKASA-N 0 0 339.391 3.669 50 30 EHEARN CC(=CC(O)=C(C#N)C(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000101495444 1127786453 /nfs/dbraw/zinc/78/64/53/1127786453.db2.gz WRRYWTCMCKCHCN-QFSNBGPKSA-N 0 0 344.842 3.901 50 30 EHEARN Cc1ccc2oc(N3CCN([C@@H](C)c4cccc(C#N)c4)CC3)nc2c1 ZINC000182740730 1125363464 /nfs/dbraw/zinc/36/34/64/1125363464.db2.gz PWONPSWJHSCVNO-INIZCTEOSA-N 0 0 346.434 3.891 50 30 EHEARN N#CC1(C(=O)Nc2cncc(-c3cnc4[nH]ccc4c3)c2)CCCC1 ZINC000585125740 1137015137 /nfs/dbraw/zinc/01/51/37/1137015137.db2.gz DJCMAEAGMQGACK-UHFFFAOYSA-N 0 0 331.379 3.599 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H]2CCOc3c(Cl)cccc32)N=N1 ZINC000952879762 1137483191 /nfs/dbraw/zinc/48/31/91/1137483191.db2.gz HEEFGCAFKAQBGL-AWEZNQCLSA-N 0 0 331.803 3.636 50 30 EHEARN C#CCCC1(CCC(=O)Nc2nc3cc(Cl)ccc3n2C)N=N1 ZINC000952881739 1137483503 /nfs/dbraw/zinc/48/35/03/1137483503.db2.gz PRRVLDRUVJMXPX-UHFFFAOYSA-N 0 0 329.791 3.521 50 30 EHEARN O=[N+]([O-])c1ccc(-c2ccc(C=NNC3=NCCCCC3)o2)cc1 ZINC000885857474 1138022680 /nfs/dbraw/zinc/02/26/80/1138022680.db2.gz VTYGIJZLWWNPBN-UHFFFAOYSA-N 0 0 326.356 3.751 50 30 EHEARN CC(C)c1noc(CNc2ccc(OCC(F)(F)F)c(C#N)c2)n1 ZINC000055849689 214344481 /nfs/dbraw/zinc/34/44/81/214344481.db2.gz GLCWNCFJPPBRQV-UHFFFAOYSA-N 0 0 340.305 3.618 50 30 EHEARN Cc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc(C)c1O ZINC000058401988 214573708 /nfs/dbraw/zinc/57/37/08/214573708.db2.gz YDTFROPZNJBWMY-FPYGCLRLSA-N 0 0 337.375 3.862 50 30 EHEARN CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N ZINC000004607867 210230125 /nfs/dbraw/zinc/23/01/25/210230125.db2.gz ZHQXSJQJIDNFLB-UHFFFAOYSA-N 0 0 339.464 3.889 50 30 EHEARN Cc1cc(C)n(Cc2cccc(C(=O)N(C)c3cccc(C#N)c3)c2)n1 ZINC000060302058 214631123 /nfs/dbraw/zinc/63/11/23/214631123.db2.gz JPXNQFFQPVFARJ-UHFFFAOYSA-N 0 0 344.418 3.697 50 30 EHEARN C[C@@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(Cl)cc2)C1=O ZINC000004575730 210224571 /nfs/dbraw/zinc/22/45/71/210224571.db2.gz URYRQHGVPAQERO-SAVVODKTSA-N 0 0 333.800 3.791 50 30 EHEARN CCCC(Nc1ccccc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100464136 219099812 /nfs/dbraw/zinc/09/98/12/219099812.db2.gz MLTIXQLVYSNMBK-FYPAKXHLSA-N 0 0 343.423 3.510 50 30 EHEARN CN(/N=C/c1ccc(O)cc1O)c1ncc(Cl)cc1C(F)(F)F ZINC000004389857 210186623 /nfs/dbraw/zinc/18/66/23/210186623.db2.gz YYLJMCXCAXHHOJ-CGOBSMCZSA-N 0 0 345.708 3.635 50 30 EHEARN C=CCNC(=S)N1CCc2c3ccccc3[nH]c2[C@@H]1C(F)(F)F ZINC000004390531 210186511 /nfs/dbraw/zinc/18/65/11/210186511.db2.gz KLSCAUDVTRLYQS-CQSZACIVSA-N 0 0 339.386 3.690 50 30 EHEARN N#Cc1nc(Cc2cccc3ccccc32)oc1NC[C@@H]1CCCO1 ZINC000004302243 210163532 /nfs/dbraw/zinc/16/35/32/210163532.db2.gz QVIKJHVQZZNLHM-INIZCTEOSA-N 0 0 333.391 3.881 50 30 EHEARN Cc1cc(C)c(C#N)c(SCCC(=O)Nc2ccc(F)cc2)n1 ZINC000004074935 210113839 /nfs/dbraw/zinc/11/38/39/210113839.db2.gz ZROHUTUGMZNRRV-UHFFFAOYSA-N 0 0 329.400 3.830 50 30 EHEARN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Cl)cc1 ZINC000003540625 210050418 /nfs/dbraw/zinc/05/04/18/210050418.db2.gz KYUVIKJUSNJHEF-ZDUSSCGKSA-N 0 0 327.815 3.671 50 30 EHEARN Cc1cccc(-n2c(SCC#N)nc3cc(Cl)ccc3c2=O)c1 ZINC000003408106 210029749 /nfs/dbraw/zinc/02/97/49/210029749.db2.gz QIICLUUOLLHQOW-UHFFFAOYSA-N 0 0 341.823 3.963 50 30 EHEARN C#Cc1cccc(N(Cc2ccncc2)C(=O)[C@H]2C[C@H]2c2ccco2)c1 ZINC000069321549 215376347 /nfs/dbraw/zinc/37/63/47/215376347.db2.gz UPYYZLJOEDCADI-UXHICEINSA-N 0 0 342.398 3.993 50 30 EHEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCOC3)sc2C1 ZINC000069322975 215377956 /nfs/dbraw/zinc/37/79/56/215377956.db2.gz JGWSCLAZFUFWOP-NEPJUHHUSA-N 0 0 332.469 3.746 50 30 EHEARN N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccncc1 ZINC000000618681 209681977 /nfs/dbraw/zinc/68/19/77/209681977.db2.gz RQNYURRNNHWYOV-UHFFFAOYSA-N 0 0 340.770 3.786 50 30 EHEARN C=CCSCC(=O)N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000069772566 215571976 /nfs/dbraw/zinc/57/19/76/215571976.db2.gz YGTHYJJSMDHGSC-IBGZPJMESA-N 0 0 338.432 3.953 50 30 EHEARN C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)C1CC1 ZINC000036106620 213069368 /nfs/dbraw/zinc/06/93/68/213069368.db2.gz JRXJYAFZVUPWCG-UHFFFAOYSA-N 0 0 342.464 3.955 50 30 EHEARN Cc1sc(NC(=O)CSCC#N)nc1-c1ccc(F)c(F)c1 ZINC000033154610 212902919 /nfs/dbraw/zinc/90/29/19/212902919.db2.gz FSQPLUZXAHPFAI-UHFFFAOYSA-N 0 0 339.392 3.592 50 30 EHEARN C[C@@H](CC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000072277255 216103403 /nfs/dbraw/zinc/10/34/03/216103403.db2.gz FMHJJDAXMMFGOX-KRWDZBQOSA-N 0 0 347.462 3.837 50 30 EHEARN COc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000000365769 209554024 /nfs/dbraw/zinc/55/40/24/209554024.db2.gz AAWNMESGYVTYOA-XNTDXEJSSA-N 0 0 328.368 3.726 50 30 EHEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1C ZINC000000132203 209440369 /nfs/dbraw/zinc/44/03/69/209440369.db2.gz RSJNCCGWXJJJDL-UHFFFAOYSA-N 0 0 335.432 3.630 50 30 EHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1F ZINC000023882966 212398089 /nfs/dbraw/zinc/39/80/89/212398089.db2.gz UBZAOHBSZMZVAI-UHFFFAOYSA-N 0 0 348.809 3.777 50 30 EHEARN CCOc1cc(C(=O)Oc2ccccc2C#N)ccc1OC(F)F ZINC000023681130 212390737 /nfs/dbraw/zinc/39/07/37/212390737.db2.gz OCLFYUVUNLZPOY-UHFFFAOYSA-N 0 0 333.290 3.778 50 30 EHEARN N#Cc1ccc(C(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)cc1 ZINC000207969084 241063007 /nfs/dbraw/zinc/06/30/07/241063007.db2.gz XAUARORNYIISSU-IBGZPJMESA-N 0 0 348.427 3.631 50 30 EHEARN CCc1nc(C#N)c(NC[C@@H](c2ccc(F)cc2F)N2CCCC2)o1 ZINC000227155875 242123819 /nfs/dbraw/zinc/12/38/19/242123819.db2.gz BFRVVOHYNYOUDO-INIZCTEOSA-N 0 0 346.381 3.636 50 30 EHEARN COc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000019835479 212074236 /nfs/dbraw/zinc/07/42/36/212074236.db2.gz MXZIKZYHUUPXLS-KGENOOAVSA-N 0 0 343.858 3.500 50 30 EHEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1O ZINC000019791008 212067585 /nfs/dbraw/zinc/06/75/85/212067585.db2.gz WWZZKIOCWRHJIB-RCCKNPSSSA-N 0 0 343.858 3.587 50 30 EHEARN Cc1ccc(CN2CCN(/N=C\c3c(F)cccc3Cl)CC2)cc1 ZINC000019594606 212050680 /nfs/dbraw/zinc/05/06/80/212050680.db2.gz HAZTXQYXSMOVQU-XKZIYDEJSA-N 0 0 345.849 3.939 50 30 EHEARN COc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)ccc1O ZINC000018130592 211983358 /nfs/dbraw/zinc/98/33/58/211983358.db2.gz JDPRRJISUOKZKQ-YBEGLDIGSA-N 0 0 340.404 3.601 50 30 EHEARN CSc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000017945140 211975610 /nfs/dbraw/zinc/97/56/10/211975610.db2.gz CVMJDAFUPQEHOK-MRXNPFEDSA-N 0 0 340.452 3.658 50 30 EHEARN N#Cc1cccc(OC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1 ZINC000078661994 217097322 /nfs/dbraw/zinc/09/73/22/217097322.db2.gz BWQKRCQPXQWOOQ-UHFFFAOYSA-N 0 0 345.402 3.723 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000079361754 217216110 /nfs/dbraw/zinc/21/61/10/217216110.db2.gz CIXULIMCDUBYLL-OAHLLOKOSA-N 0 0 333.391 3.511 50 30 EHEARN CC(C)c1nnc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)[nH]1 ZINC000079490979 217233367 /nfs/dbraw/zinc/23/33/67/217233367.db2.gz GCHGMLZNBRXJOU-UHFFFAOYSA-N 0 0 328.416 3.862 50 30 EHEARN N#Cc1c2c(sc1NC(=O)c1ccc3snnc3c1)CCCC2 ZINC000015828438 211856355 /nfs/dbraw/zinc/85/63/55/211856355.db2.gz HZTGBYLITNHYSR-UHFFFAOYSA-N 0 0 340.433 3.756 50 30 EHEARN C[C@@H](Sc1nnc2n(C)c3ccccc3n12)c1ccc(C#N)cc1 ZINC000080305773 217296968 /nfs/dbraw/zinc/29/69/68/217296968.db2.gz PLKDMJZBFOXZLZ-GFCCVEGCSA-N 0 0 333.420 3.946 50 30 EHEARN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1csc(C)n1 ZINC000089709047 217831796 /nfs/dbraw/zinc/83/17/96/217831796.db2.gz ZDDDSELJJATMKZ-ZDUSSCGKSA-N 0 0 345.468 3.919 50 30 EHEARN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)c1 ZINC000012462721 211388805 /nfs/dbraw/zinc/38/88/05/211388805.db2.gz NQTGGOVAHYPIQU-CXUHLZMHSA-N 0 0 338.388 3.615 50 30 EHEARN C=CCN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O ZINC000012343714 211352869 /nfs/dbraw/zinc/35/28/69/211352869.db2.gz VYNSYCUVHFJBKL-SOFGYWHQSA-N 0 0 330.228 3.733 50 30 EHEARN C=CC[C@@]1(CO)CCCN(Cc2nc(C)cc(-c3ccccc3)n2)C1 ZINC000091603123 218030775 /nfs/dbraw/zinc/03/07/75/218030775.db2.gz LRCFMRATMZGLFV-OAQYLSRUSA-N 0 0 337.467 3.603 50 30 EHEARN C=CCOc1ccccc1NC(=O)c1ccc(OCCOC)cc1 ZINC000009816053 211123830 /nfs/dbraw/zinc/12/38/30/211123830.db2.gz RYEZQTBVKIEINT-UHFFFAOYSA-N 0 0 327.380 3.529 50 30 EHEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1nc(C(C)C)cs1 ZINC000009515325 211097257 /nfs/dbraw/zinc/09/72/57/211097257.db2.gz XPLUIGCWBQZUPB-UHFFFAOYSA-N 0 0 345.424 3.554 50 30 EHEARN C[C@H](c1cccs1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009458951 211087510 /nfs/dbraw/zinc/08/75/10/211087510.db2.gz WFBPKQYCNDITAA-LLVKDONJSA-N 0 0 345.493 3.801 50 30 EHEARN CC[C@H]1c2ccsc2CCN1CC(=O)Nc1sccc1C#N ZINC000009112796 211041717 /nfs/dbraw/zinc/04/17/17/211041717.db2.gz RAZRQZJITPGHPW-ZDUSSCGKSA-N 0 0 331.466 3.629 50 30 EHEARN Cc1cc(NC(=O)CNc2cccc(C#N)c2)ccc1Br ZINC000007974153 210873109 /nfs/dbraw/zinc/87/31/09/210873109.db2.gz QSKABLWSMBHGMW-UHFFFAOYSA-N 0 0 344.212 3.680 50 30 EHEARN CCN(C(C)=O)c1nc(/C=C2/Sc3ccccc3C2=O)cs1 ZINC000096035430 218517804 /nfs/dbraw/zinc/51/78/04/218517804.db2.gz BCTWVUCAJXGARZ-RIYZIHGNSA-N 0 0 330.434 3.845 50 30 EHEARN Cc1cc(-c2ccc(NC(=O)CC#N)c(C)c2)ccc1NC(=O)CC#N ZINC000006268127 210610363 /nfs/dbraw/zinc/61/03/63/210610363.db2.gz FBVKWPURZVPANS-UHFFFAOYSA-N 0 0 346.390 3.675 50 30 EHEARN CCc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccncc2)cc1 ZINC000005939080 210564261 /nfs/dbraw/zinc/56/42/61/210564261.db2.gz VZFWKGOOGUETDE-CYBMUJFWSA-N 0 0 335.436 3.896 50 30 EHEARN O=[N+]([O-])c1ccc(/N=C/c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000005714741 210522670 /nfs/dbraw/zinc/52/26/70/210522670.db2.gz GZKBPJIAUGRUSE-CAOOACKPSA-N 0 0 337.238 3.855 50 30 EHEARN COc1cc(/N=C/c2cc(Br)ccc2O)cc(OC)c1 ZINC000005287268 210433765 /nfs/dbraw/zinc/43/37/65/210433765.db2.gz IVJUYNWOJFQFAT-RQZCQDPDSA-N 0 0 336.185 3.923 50 30 EHEARN N#CC1(C#N)C[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 ZINC000004794369 210278548 /nfs/dbraw/zinc/27/85/48/210278548.db2.gz IXXATASUTOLNRM-RBUKOAKNSA-N 0 0 325.371 3.577 50 30 EHEARN CC(C)CCN(CCC#N)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000096455641 257834404 /nfs/dbraw/zinc/83/44/04/257834404.db2.gz IFZKNCUUHJKALV-UHFFFAOYSA-N 0 0 327.384 3.587 50 30 EHEARN Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1C(=O)N1CCCCC1 ZINC000278355536 257940650 /nfs/dbraw/zinc/94/06/50/257940650.db2.gz DONLGBMLHLGCRT-UHFFFAOYSA-N 0 0 339.439 3.644 50 30 EHEARN O=C(Nc1c[nH]nc1-c1nccs1)N1CCC[C@H]1c1ccccc1 ZINC000328600388 258041872 /nfs/dbraw/zinc/04/18/72/258041872.db2.gz XSZPVEXDZFIPGC-AWEZNQCLSA-N 0 0 339.424 3.916 50 30 EHEARN C=CC(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000328597164 258042566 /nfs/dbraw/zinc/04/25/66/258042566.db2.gz FCBKVAZXLAURIE-UHFFFAOYSA-N 0 0 330.334 3.768 50 30 EHEARN C=CCN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C(=O)C1CCC1 ZINC000006695255 258044198 /nfs/dbraw/zinc/04/41/98/258044198.db2.gz QJTDXPDHWJTUSF-INIZCTEOSA-N 0 0 332.831 3.648 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)CC(C)(C)C ZINC000006697967 258044919 /nfs/dbraw/zinc/04/49/19/258044919.db2.gz IHGPLTBXMMICCI-UHFFFAOYSA-N 0 0 327.428 3.996 50 30 EHEARN Cc1ccsc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCCC2)C1=O ZINC000013540567 258001860 /nfs/dbraw/zinc/00/18/60/258001860.db2.gz KKPNNIAMBRGIJO-YBEGLDIGSA-N 0 0 341.432 3.974 50 30 EHEARN CC(C)(COCc1ccccc1)NC(=O)c1ncc(C#N)cc1Cl ZINC000330032916 258002602 /nfs/dbraw/zinc/00/26/02/258002602.db2.gz UURPDGCPQVDDOT-UHFFFAOYSA-N 0 0 343.814 3.907 50 30 EHEARN Cc1cc(C)cc([C@H](O)CNC(=O)c2cncnc2-c2ccccc2)c1 ZINC000330031632 258002964 /nfs/dbraw/zinc/00/29/64/258002964.db2.gz BMKAKDZOOQWEAU-LJQANCHMSA-N 0 0 347.418 3.799 50 30 EHEARN C=CCn1c(S[C@H](C)c2nnc(C)s2)nnc1-c1ccccn1 ZINC000241587964 258005504 /nfs/dbraw/zinc/00/55/04/258005504.db2.gz OYLIINFSQNUTQG-SNVBAGLBSA-N 0 0 344.469 3.539 50 30 EHEARN CC(=O)Nc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000118914 258047312 /nfs/dbraw/zinc/04/73/12/258047312.db2.gz DUSWTTHAJFOFDN-UHFFFAOYSA-N 0 0 340.766 3.587 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=S)NCCSc1ccccc1 ZINC000032809277 258058448 /nfs/dbraw/zinc/05/84/48/258058448.db2.gz LVHAYOFEJASIAG-UHFFFAOYSA-N 0 0 341.505 3.657 50 30 EHEARN Cc1ccc2nc(C)c(C(=O)N(CCC#N)Cc3ccccn3)cc2c1 ZINC000069697749 258063752 /nfs/dbraw/zinc/06/37/52/258063752.db2.gz DAYALYJSMMCODT-UHFFFAOYSA-N 0 0 344.418 3.803 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000131100015 533393492 /nfs/dbraw/zinc/39/34/92/533393492.db2.gz DAUFVDWGXAODQB-VIFPVBQESA-N 0 0 335.820 3.624 50 30 EHEARN CCOC(=O)c1cnc(SC)nc1SCc1ccc(C#N)cc1 ZINC000000984215 262519065 /nfs/dbraw/zinc/51/90/65/262519065.db2.gz OTEKIIUSSVKTJC-UHFFFAOYSA-N 0 0 345.449 3.539 50 30 EHEARN C=C(C)COc1cccc(C(=O)NCc2noc(C3CCCC3)n2)c1 ZINC000055370140 518619156 /nfs/dbraw/zinc/61/91/56/518619156.db2.gz ZOOOCWXFBSWUNB-UHFFFAOYSA-N 0 0 341.411 3.612 50 30 EHEARN C=CCOc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1 ZINC000020987504 519016814 /nfs/dbraw/zinc/01/68/14/519016814.db2.gz IYBRBXHKCPHLJO-VBKFSLOCSA-N 0 0 328.437 3.754 50 30 EHEARN CCN(C/C=C/c1ccccc1)C(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000055120105 520292183 /nfs/dbraw/zinc/29/21/83/520292183.db2.gz SORWKJIQWCRUCO-DHZHZOJOSA-N 0 0 337.419 3.578 50 30 EHEARN COc1cc(C)c(C(C)N=Nc2nc(C)c(C(C)=O)s2)cc1OC ZINC000004713247 522182717 /nfs/dbraw/zinc/18/27/17/522182717.db2.gz BRMXLSAGNHMFDO-VXLYETTFSA-N 0 0 347.440 3.816 50 30 EHEARN CN(CCC#N)C(=O)C[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000003903492 522671879 /nfs/dbraw/zinc/67/18/79/522671879.db2.gz FYTDBGAILXKZQZ-OALUTQOASA-N 0 0 342.483 3.813 50 30 EHEARN COCc1cc(C)nc(N=NCc2ccc(SC)cc2)c1C#N ZINC000059640882 522916633 /nfs/dbraw/zinc/91/66/33/522916633.db2.gz OQVFBDWNZQREBX-VXLYETTFSA-N 0 0 326.425 3.576 50 30 EHEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccccn2)c1 ZINC000004835303 524409761 /nfs/dbraw/zinc/40/97/61/524409761.db2.gz GEOIPCJGHKASLX-UHFFFAOYSA-N 0 0 325.437 3.737 50 30 EHEARN N#Cc1ccc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nc1 ZINC000154459115 534791458 /nfs/dbraw/zinc/79/14/58/534791458.db2.gz RPTDRKRLCNRXCX-NSHDSACASA-N 0 0 338.358 3.813 50 30 EHEARN COc1ccc(O)c(CN=Nc2nc(C)cc(-c3ccccc3)n2)c1 ZINC000004154776 524723201 /nfs/dbraw/zinc/72/32/01/524723201.db2.gz UXGXNUUESZOELL-UDWIEESQSA-N 0 0 334.379 3.612 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000079361758 526217685 /nfs/dbraw/zinc/21/76/85/526217685.db2.gz PTXGMUTUWNHZDN-OAHLLOKOSA-N 0 0 333.391 3.511 50 30 EHEARN C[C@@H](C#N)Sc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000003374375 526238721 /nfs/dbraw/zinc/23/87/21/526238721.db2.gz XDEGFOBJWGHGGZ-JTQLQIEISA-N 0 0 334.832 3.850 50 30 EHEARN O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000004471866 526413505 /nfs/dbraw/zinc/41/35/05/526413505.db2.gz JQEMGCIEJLNKSV-DYTRJAOYSA-N 0 0 347.330 3.599 50 30 EHEARN N#CCOC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000003290755 526473612 /nfs/dbraw/zinc/47/36/12/526473612.db2.gz IHAGYBKYBYWOMD-UHFFFAOYSA-N 0 0 344.370 3.701 50 30 EHEARN O=C(CNc1cccc(C#Cc2cccs2)c1)NCc1ccccc1 ZINC000029934086 526896647 /nfs/dbraw/zinc/89/66/47/526896647.db2.gz GMVHOYFMFLNCKC-UHFFFAOYSA-N 0 0 346.455 3.876 50 30 EHEARN O=C(/C=C/c1ccc(Oc2ncccn2)cc1)c1ccc2c(c1)OCO2 ZINC000004088933 527617739 /nfs/dbraw/zinc/61/77/39/527617739.db2.gz CDWCXQFKWNCTJU-XBXARRHUSA-N 0 0 346.342 3.894 50 30 EHEARN CCCCCCCCCCCNC(=O)C(=O)Nc1nccs1 ZINC000100543150 563982658 /nfs/dbraw/zinc/98/26/58/563982658.db2.gz CZGPJPOQVQVGOB-UHFFFAOYSA-N 0 0 325.478 3.729 50 30 EHEARN Oc1ccc(Br)cc1/C=N/c1cccc2nsnc21 ZINC000000207843 563260141 /nfs/dbraw/zinc/26/01/41/563260141.db2.gz RNSDOVHJQGUZTR-VIZOYTHASA-N 0 0 334.198 3.910 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000444074 563315718 /nfs/dbraw/zinc/31/57/18/563315718.db2.gz GMSAESWHPZWJFI-MRXNPFEDSA-N 0 0 345.757 3.968 50 30 EHEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000000530712 563342458 /nfs/dbraw/zinc/34/24/58/563342458.db2.gz XLDUADFIFCUNQA-IFRROFPPSA-N 0 0 334.210 3.875 50 30 EHEARN COc1ccc(-c2ccc(C(=O)N(C)CCC#N)c(F)c2)c(F)c1 ZINC000071884598 563382445 /nfs/dbraw/zinc/38/24/45/563382445.db2.gz MSZXVIDWZVXMDT-UHFFFAOYSA-N 0 0 330.334 3.626 50 30 EHEARN S=C1N=NC(COc2ccccc2)N1N=Cc1ccc(Cl)cc1 ZINC000001299778 563382670 /nfs/dbraw/zinc/38/26/70/563382670.db2.gz LGDXKLNBTMSXRI-VCHYOVAHSA-N 0 0 344.827 3.681 50 30 EHEARN O=[N+]([O-])c1cccc(/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000005714322 563547003 /nfs/dbraw/zinc/54/70/03/563547003.db2.gz QYXCZFMDYQBSBL-CAOOACKPSA-N 0 0 337.238 3.855 50 30 EHEARN S=C1N=NC(COc2ccccc2)N1N=Cc1cccc(Cl)c1 ZINC000005999436 563556682 /nfs/dbraw/zinc/55/66/82/563556682.db2.gz CXRGCIJIVDXBTL-VCHYOVAHSA-N 0 0 344.827 3.681 50 30 EHEARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC#N ZINC000006126235 563559241 /nfs/dbraw/zinc/55/92/41/563559241.db2.gz LSKOTDRVGQOQNN-UHFFFAOYSA-N 0 0 334.784 3.707 50 30 EHEARN O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@H]1Cc1ccccc1 ZINC000012843917 563675633 /nfs/dbraw/zinc/67/56/33/563675633.db2.gz AHFPSRNAHGXCRN-BKQORJHRSA-N 0 0 343.839 3.504 50 30 EHEARN CCSc1nc2n(n1)[C@H](c1cccc(F)c1)C1C(=O)CCCC1=N2 ZINC000013127017 563689703 /nfs/dbraw/zinc/68/97/03/563689703.db2.gz KVIILXGPGQEIOV-OAHLLOKOSA-N 0 0 344.415 3.551 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000013285537 563694154 /nfs/dbraw/zinc/69/41/54/563694154.db2.gz BEAHYYJNEHULJA-GOSISDBHSA-N 0 0 325.408 3.606 50 30 EHEARN CN(CC(=O)Nc1nncs1)Cc1cc(Cl)cc(Cl)c1 ZINC000048579552 563921669 /nfs/dbraw/zinc/92/16/69/563921669.db2.gz GPPDURZFMXWBJD-UHFFFAOYSA-N 0 0 331.228 3.565 50 30 EHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)CN(Cc1ccco1)CO3 ZINC000013690845 563931789 /nfs/dbraw/zinc/93/17/89/563931789.db2.gz LBNPQROLXLEYQS-NVMNQCDNSA-N 0 0 349.342 3.841 50 30 EHEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1 ZINC000057524935 563935730 /nfs/dbraw/zinc/93/57/30/563935730.db2.gz GCVVWTPCCKRMIX-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN CC(C)(C)c1ccc(S(=O)(=O)N(CC#N)c2ccccc2)cc1 ZINC000058137367 563937639 /nfs/dbraw/zinc/93/76/39/563937639.db2.gz UGMJSWZKJPSUGY-UHFFFAOYSA-N 0 0 328.437 3.703 50 30 EHEARN O=C1C(c2ccccc2)=C(c2ccccc2)O[C@@]1(O)c1ccccc1 ZINC000071769321 563965587 /nfs/dbraw/zinc/96/55/87/563965587.db2.gz JJHASXSPKXBWEJ-QFIPXVFZSA-N 0 0 328.367 4.000 50 30 EHEARN C=CCCC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1 ZINC000097000822 563966585 /nfs/dbraw/zinc/96/65/85/563966585.db2.gz BJAIMFWWQMRZJQ-LJQANCHMSA-N 0 0 334.419 3.939 50 30 EHEARN COc1cc(C#N)ccc1CNc1cccc(C(=O)N2CCCC2)c1C ZINC000158021965 563974926 /nfs/dbraw/zinc/97/49/26/563974926.db2.gz XXABNSZICJGGAO-UHFFFAOYSA-N 0 0 349.434 3.723 50 30 EHEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3cccnc3)cc2c1C ZINC000046415141 563981265 /nfs/dbraw/zinc/98/12/65/563981265.db2.gz MPAYWURSYMQJQK-AATRIKPKSA-N 0 0 338.388 3.682 50 30 EHEARN CC(C)(C)c1ccc([C@H]2CC(=O)C=C(NCCc3c[nH]cn3)C2)cc1 ZINC000100432742 563982618 /nfs/dbraw/zinc/98/26/18/563982618.db2.gz RGRKCJNYATUFGD-MRXNPFEDSA-N 0 0 337.467 3.870 50 30 EHEARN Cc1c([C@@H]2CC2(C)C)nc(N)c(C#N)c1-c1cnc(N(C)C)s1 ZINC000071758976 563983033 /nfs/dbraw/zinc/98/30/33/563983033.db2.gz ZWTPZIPDXXVBNK-NSHDSACASA-N 0 0 327.457 3.547 50 30 EHEARN N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000119607465 563983127 /nfs/dbraw/zinc/98/31/27/563983127.db2.gz PXMPVFVVLAWEPF-BBWFWOEESA-N 0 0 344.370 3.884 50 30 EHEARN CCN(CC)c1ccc(/C=N/S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000147067 563987124 /nfs/dbraw/zinc/98/71/24/563987124.db2.gz UCNFPOXLBHBWJS-XMHGGMMESA-N 0 0 330.453 3.649 50 30 EHEARN Cc1cc(C)c(C#N)c(N2CCc3[nH]nc(-c4ccccc4)c3C2)n1 ZINC000023506853 563987377 /nfs/dbraw/zinc/98/73/77/563987377.db2.gz QNRLBXIYLZVLBY-UHFFFAOYSA-N 0 0 329.407 3.523 50 30 EHEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccoc2C)c(C#N)c1C ZINC000000168619 563987528 /nfs/dbraw/zinc/98/75/28/563987528.db2.gz AQIGHMLGEKJANH-UHFFFAOYSA-N 0 0 345.424 3.564 50 30 EHEARN N#Cc1c2c(sc1N1C(=O)Nc3ccccc3N1O)CCCC2 ZINC000000184576 563987936 /nfs/dbraw/zinc/98/79/36/563987936.db2.gz LSWAZMKSILSKQI-UHFFFAOYSA-N 0 0 326.381 3.661 50 30 EHEARN CCN(C)c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000000259798 563989622 /nfs/dbraw/zinc/98/96/22/563989622.db2.gz KNVFNRHLVVOXGC-PXLXIMEGSA-N 0 0 348.450 3.691 50 30 EHEARN O=C1Nc2ccccc2/C1=N\N=C(c1ccccc1)c1ccccc1 ZINC000000324958 563991242 /nfs/dbraw/zinc/99/12/42/563991242.db2.gz UGKQKQHJZRBKHC-UHFFFAOYSA-N 0 0 325.371 3.880 50 30 EHEARN COc1ccc2c(c1)C(C)(C)/C(=C\C=C1\C=CC=C(OC)C1=O)N2C ZINC000033459141 563992202 /nfs/dbraw/zinc/99/22/02/563992202.db2.gz YMYIIPAGNGABOF-MECICWBGSA-N 0 0 337.419 3.902 50 30 EHEARN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)sn2)cc1 ZINC000408514941 563992957 /nfs/dbraw/zinc/99/29/57/563992957.db2.gz FRAGEAQYUCZBSK-IAQYHMDHSA-N 0 0 341.436 3.926 50 30 EHEARN C=C(C)CN(CC)C(=O)Cc1cscc1C(=O)N(CC)CC(=C)C ZINC000408522373 563993211 /nfs/dbraw/zinc/99/32/11/563993211.db2.gz IBYYETUKUDTKSG-UHFFFAOYSA-N 0 0 348.512 3.753 50 30 EHEARN C=CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000247981099 563994926 /nfs/dbraw/zinc/99/49/26/563994926.db2.gz HFSDCGQZBRMPPA-XSDIEEQYSA-N 0 0 343.426 3.911 50 30 EHEARN O=C1c2cc(F)ccc2OCC/C1=C/c1ccc2c(c1)OCCO2 ZINC000210276052 564002107 /nfs/dbraw/zinc/00/21/07/564002107.db2.gz WWWHTJQMZHWMCC-LCYFTJDESA-N 0 0 326.323 3.646 50 30 EHEARN N#Cc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005560697 564005542 /nfs/dbraw/zinc/00/55/42/564005542.db2.gz BVVGSTDVXAUKLQ-UHFFFAOYSA-N 0 0 339.464 3.588 50 30 EHEARN N#C[C@@H](NC(=O)[C@H]1CSCCS1)c1cccc(Cl)c1Cl ZINC000177275079 564013794 /nfs/dbraw/zinc/01/37/94/564013794.db2.gz WISCNJUDBZRSEI-GHMZBOCLSA-N 0 0 347.292 3.523 50 30 EHEARN CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1F ZINC000018126026 564018287 /nfs/dbraw/zinc/01/82/87/564018287.db2.gz HLUGACIVFAAJGK-SFHVURJKSA-N 0 0 333.362 3.983 50 30 EHEARN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O ZINC000015008730 564018352 /nfs/dbraw/zinc/01/83/52/564018352.db2.gz ARJSVIYSZVPZTN-CXUHLZMHSA-N 0 0 336.372 3.500 50 30 EHEARN O=C1CCCC2=C1[C@H](c1cccc(O)c1)c1cc3c(cc1N2)OCO3 ZINC000018196758 564018702 /nfs/dbraw/zinc/01/87/02/564018702.db2.gz ZSJUFXTWWUJUQY-LJQANCHMSA-N 0 0 335.359 3.685 50 30 EHEARN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000103504234 564022604 /nfs/dbraw/zinc/02/26/04/564022604.db2.gz JXVRTZYMEYKJIZ-AWEZNQCLSA-N 0 0 348.280 3.546 50 30 EHEARN C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000045029708 564028069 /nfs/dbraw/zinc/02/80/69/564028069.db2.gz LUTZXZVSAQYTDX-UHFFFAOYSA-N 0 0 335.367 3.510 50 30 EHEARN N#Cc1nn(-c2ccccc2)nc1N1CCC(Cc2ccccc2)CC1 ZINC000025183625 564053725 /nfs/dbraw/zinc/05/37/25/564053725.db2.gz RQCVRFBJQUJDPV-UHFFFAOYSA-N 0 0 343.434 3.598 50 30 EHEARN Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)c(Br)c1 ZINC000015122436 564053739 /nfs/dbraw/zinc/05/37/39/564053739.db2.gz GRFGAAQGRTVMSZ-UHFFFAOYSA-N 0 0 344.212 3.680 50 30 EHEARN C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3/C(=N\O)C[C@]12C ZINC000257355817 564055928 /nfs/dbraw/zinc/05/59/28/564055928.db2.gz CVXAFNPPFCWCEW-WBNNBQJWSA-N 0 0 349.515 3.827 50 30 EHEARN N#Cc1cc(F)c(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000182858061 564056429 /nfs/dbraw/zinc/05/64/29/564056429.db2.gz SCTSZVFYAUNYNO-OAHLLOKOSA-N 0 0 346.308 3.619 50 30 EHEARN CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc(C)s2)cc1 ZINC000005906649 564056913 /nfs/dbraw/zinc/05/69/13/564056913.db2.gz YZYDJVJFJYKOPI-LICLKQGHSA-N 0 0 344.465 3.885 50 30 EHEARN N#C[C@@H](C(=O)c1cc(=O)c2ccccc2o1)c1ccc2ccccc2n1 ZINC000012559984 564059489 /nfs/dbraw/zinc/05/94/89/564059489.db2.gz KIGLENHEEZIFTN-OAHLLOKOSA-N 0 0 340.338 3.831 50 30 EHEARN CC(C)(C)C(=O)O/N=C/c1c(-c2ccccc2)nc2sccn12 ZINC000001384884 564064162 /nfs/dbraw/zinc/06/41/62/564064162.db2.gz LGKNEKMNAFGUSK-WOJGMQOQSA-N 0 0 327.409 3.986 50 30 EHEARN C=CCN(C(=O)c1sc(C)nc1C)c1nc2c(s1)CCCC2 ZINC000058022971 564065236 /nfs/dbraw/zinc/06/52/36/564065236.db2.gz XRHXEOLBCRBKCY-UHFFFAOYSA-N 0 0 333.482 3.928 50 30 EHEARN C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)CC ZINC000058265009 564065237 /nfs/dbraw/zinc/06/52/37/564065237.db2.gz CXMWNBZXSUOVHY-KGLIPLIRSA-N 0 0 344.484 3.699 50 30 EHEARN C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c1C ZINC000006059903 564073192 /nfs/dbraw/zinc/07/31/92/564073192.db2.gz DIBDPNKRZJYDMI-UHFFFAOYSA-N 0 0 346.814 3.566 50 30 EHEARN CC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000085557017 564073963 /nfs/dbraw/zinc/07/39/63/564073963.db2.gz FFKFFZBUESPEKO-LJQANCHMSA-N 0 0 349.434 3.517 50 30 EHEARN C[C@@H](Sc1ncnc2sccc21)C(=O)Nc1cccc(C#N)c1 ZINC000006115438 564074400 /nfs/dbraw/zinc/07/44/00/564074400.db2.gz AKSQKVSRCGFMEP-SNVBAGLBSA-N 0 0 340.433 3.682 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S ZINC000016711706 564074438 /nfs/dbraw/zinc/07/44/38/564074438.db2.gz BDXVRBXNNLLOOG-DHZHZOJOSA-N 0 0 327.377 3.675 50 30 EHEARN C#CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O ZINC000001150030 564074668 /nfs/dbraw/zinc/07/46/68/564074668.db2.gz WQKUATNWWXNZLW-GHRIWEEISA-N 0 0 340.448 3.655 50 30 EHEARN C=CCc1ccccc1OC[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000024097767 564078819 /nfs/dbraw/zinc/07/88/19/564078819.db2.gz BLWWMVZBNNVIMI-GOSISDBHSA-N 0 0 336.435 3.822 50 30 EHEARN Cc1cn2c(/C=C/C(=O)c3ccc(N(C)C)cc3)c(C)nc2s1 ZINC000032853619 564079337 /nfs/dbraw/zinc/07/93/37/564079337.db2.gz OXJYHHMGRYIMIJ-MDZDMXLPSA-N 0 0 325.437 3.975 50 30 EHEARN S=C1N=NC(c2ccco2)N1N=CC(Cl)=Cc1ccccc1 ZINC000001253613 564084668 /nfs/dbraw/zinc/08/46/68/564084668.db2.gz DFPYIYOVIRULML-CVRKYSSXSA-N 0 0 330.800 3.941 50 30 EHEARN N#Cc1ccccc1-c1ccc(CNC(=O)NCc2cccnc2)cc1 ZINC000090997635 564087154 /nfs/dbraw/zinc/08/71/54/564087154.db2.gz VGCFPTYURLBYFU-UHFFFAOYSA-N 0 0 342.402 3.620 50 30 EHEARN CCOc1ccc(C=NN2C(=S)N=NC2C2CCCCC2)cc1 ZINC000244884231 564088601 /nfs/dbraw/zinc/08/86/01/564088601.db2.gz YHYDTWDUSXRFQC-UHFFFAOYSA-N 0 0 330.457 3.895 50 30 EHEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccnc2)cc1 ZINC000245241570 564088647 /nfs/dbraw/zinc/08/86/47/564088647.db2.gz JEEIVAJZEQFQBI-UHFFFAOYSA-N 0 0 337.452 3.809 50 30 EHEARN COc1ccc2c(c1)ncc(C#N)c2Nc1cc(OC)cc(OC)c1 ZINC000064438718 564091302 /nfs/dbraw/zinc/09/13/02/564091302.db2.gz RHQUBENJQJPHKW-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN C=C(C)CSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000006616869 564094541 /nfs/dbraw/zinc/09/45/41/564094541.db2.gz HZANSUMDXYCMCH-LLVKDONJSA-N 0 0 327.450 3.960 50 30 EHEARN C=CCN1CCN(C(=O)Nc2cccc(Cl)c2)c2cccnc21 ZINC000064929518 564097908 /nfs/dbraw/zinc/09/79/08/564097908.db2.gz DJGWPUMZWSOEEZ-UHFFFAOYSA-N 0 0 328.803 3.780 50 30 EHEARN C=CCN1CCN(C(=O)Nc2ccc(C)c(F)c2)c2cccnc21 ZINC000064929554 564097909 /nfs/dbraw/zinc/09/79/09/564097909.db2.gz NTFYYYOSYFHQOH-UHFFFAOYSA-N 0 0 326.375 3.574 50 30 EHEARN Cn1ncc(Br)c1C(=O)/C=C/c1c(F)cccc1Cl ZINC000006925452 564101467 /nfs/dbraw/zinc/10/14/67/564101467.db2.gz QHTPORIWHUNWOM-AATRIKPKSA-N 0 0 343.583 3.871 50 30 EHEARN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccc(Cl)cc1 ZINC000007266151 564106141 /nfs/dbraw/zinc/10/61/41/564106141.db2.gz HMJOVWXIBHNMIV-CYBMUJFWSA-N 0 0 327.815 3.671 50 30 EHEARN CN(C)c1ccc(C=Nc2sc3c(c2C#N)CCC3)cc1[N+](=O)[O-] ZINC000250356799 564111918 /nfs/dbraw/zinc/11/19/18/564111918.db2.gz CAJKKQNFKMOZDJ-UHFFFAOYSA-N 0 0 340.408 3.833 50 30 EHEARN C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCOC[C@H]2C)c1 ZINC000194284551 564120490 /nfs/dbraw/zinc/12/04/90/564120490.db2.gz YOQGUGZJMBXYCS-DNVCBOLYSA-N 0 0 339.460 3.935 50 30 EHEARN Cc1ccc(C=Nn2cnc3sc(-c4ccccc4)cc3c2=O)o1 ZINC000252611065 564121817 /nfs/dbraw/zinc/12/18/17/564121817.db2.gz IGVJUGVCKXSRPU-UHFFFAOYSA-N 0 0 335.388 3.909 50 30 EHEARN N#Cc1c(NC(=O)[C@H]2CCCOC2)sc2c1-c1ccccc1CC2 ZINC000170794928 564122990 /nfs/dbraw/zinc/12/29/90/564122990.db2.gz DJACBWVZCFBIEE-ZDUSSCGKSA-N 0 0 338.432 3.750 50 30 EHEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1cccc(F)c1 ZINC000002214019 564123034 /nfs/dbraw/zinc/12/30/34/564123034.db2.gz IWPSNXMMYFHKOE-WQRHYEAKSA-N 0 0 339.366 3.743 50 30 EHEARN Cn1c2ccccc2sc1=NN=Cc1ccc(Br)cc1 ZINC000252626010 564123322 /nfs/dbraw/zinc/12/33/22/564123322.db2.gz QUEMNXVKRIPZOZ-UHFFFAOYSA-N 0 0 346.253 3.937 50 30 EHEARN Cc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)s1 ZINC000002705079 564128948 /nfs/dbraw/zinc/12/89/48/564128948.db2.gz RWJWQVGTKBUHNR-UHFFFAOYSA-N 0 0 327.497 3.825 50 30 EHEARN N#CC1(CCCNc2c(F)cccc2N2CCCC2)CCOCC1 ZINC000253419721 564130975 /nfs/dbraw/zinc/13/09/75/564130975.db2.gz GKXFKWXNKABUMQ-UHFFFAOYSA-N 0 0 331.435 3.938 50 30 EHEARN CS[C@@H]1CCCC[C@@]1(O)CSc1nc2c(cc1C#N)CCCC2 ZINC000000034228 564132711 /nfs/dbraw/zinc/13/27/11/564132711.db2.gz SNDMFDJNRHSDPA-SJLPKXTDSA-N 0 0 348.537 3.961 50 30 EHEARN CCOc1ccc(NC(=O)Cn2c(C)c(C#N)c3ccccc32)cc1 ZINC000000029034 564132730 /nfs/dbraw/zinc/13/27/30/564132730.db2.gz GAHUXRYXBQRELY-UHFFFAOYSA-N 0 0 333.391 3.859 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cc1 ZINC000077535844 564134320 /nfs/dbraw/zinc/13/43/20/564134320.db2.gz CAKNMHVQUUMIMH-INIZCTEOSA-N 0 0 338.382 3.629 50 30 EHEARN N#Cc1ccccc1CC(=O)c1cccc(I)c1 ZINC000002393043 564134434 /nfs/dbraw/zinc/13/44/34/564134434.db2.gz AVZHZRYJIARRFW-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN CCN(CCCCO)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC000426412840 564135032 /nfs/dbraw/zinc/13/50/32/564135032.db2.gz YEYVUGZZJFVKPS-UHFFFAOYSA-N 0 0 340.398 3.599 50 30 EHEARN CC(C)C[C@@H]1COCCN1C(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426534046 564135092 /nfs/dbraw/zinc/13/50/92/564135092.db2.gz KOUJGQBEFAMMML-LJQANCHMSA-N 0 0 349.434 3.507 50 30 EHEARN CCNc1ccc(Cl)cc1NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000328587116 564136534 /nfs/dbraw/zinc/13/65/34/564136534.db2.gz IODKOOGVEGSPLU-UHFFFAOYSA-N 0 0 346.774 3.784 50 30 EHEARN COc1ccc2c(c1)OC[C@@H](NC(=O)Cc1cnc3ccccc3c1)C2 ZINC000328588605 564136628 /nfs/dbraw/zinc/13/66/28/564136628.db2.gz JXRQQABMSPCYLA-KRWDZBQOSA-N 0 0 348.402 3.746 50 30 EHEARN Cc1nc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)ccc1C#N ZINC000390833213 564138733 /nfs/dbraw/zinc/13/87/33/564138733.db2.gz DSKGXGWRXKCEKW-UHFFFAOYSA-N 0 0 348.189 3.608 50 30 EHEARN CCOC(=O)c1sc(NC(=O)[C@@H](C)c2ccccc2)c(C#N)c1C ZINC000095470983 564141242 /nfs/dbraw/zinc/14/12/42/564141242.db2.gz PYZFJTIQTNPKOL-NSHDSACASA-N 0 0 342.420 3.847 50 30 EHEARN CC(C)Cc1nc(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000020791735 564141803 /nfs/dbraw/zinc/14/18/03/564141803.db2.gz QCNXDCHAQRGUJM-UHFFFAOYSA-N 0 0 327.472 3.993 50 30 EHEARN CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000281039343 564141896 /nfs/dbraw/zinc/14/18/96/564141896.db2.gz NUGQZVGRAPDDFI-WMLDXEAASA-N 0 0 342.345 3.521 50 30 EHEARN CC(C)(C#N)CCCNc1ccccc1C(=O)NCC(F)(F)F ZINC000095966774 564142997 /nfs/dbraw/zinc/14/29/97/564142997.db2.gz MAYURCBIBBSDDZ-UHFFFAOYSA-N 0 0 327.350 3.721 50 30 EHEARN COc1cc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)cc(OC)c1OC ZINC000096236089 564146147 /nfs/dbraw/zinc/14/61/47/564146147.db2.gz KDSUMWIZZYQJPE-SREVYHEPSA-N 0 0 342.391 3.931 50 30 EHEARN C=CCNC(=O)c1cc2scc(Br)c2n1CCC ZINC000096280438 564146369 /nfs/dbraw/zinc/14/63/69/564146369.db2.gz XMYYEQYTLIUKHP-UHFFFAOYSA-N 0 0 327.247 3.791 50 30 EHEARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C#N)nc1 ZINC000225598722 564149911 /nfs/dbraw/zinc/14/99/11/564149911.db2.gz ANDLQSVBQQOWOR-UHFFFAOYSA-N 0 0 349.221 3.725 50 30 EHEARN CC[C@@H](C(=O)Nc1sc(C(=O)OC)c(C)c1C#N)c1ccccc1 ZINC000002749168 564152380 /nfs/dbraw/zinc/15/23/80/564152380.db2.gz QLBJAKOHENASEL-CYBMUJFWSA-N 0 0 342.420 3.847 50 30 EHEARN O=C(/N=C(\c1ccccc1)N1CCOCC1)Nc1ccc(Cl)cc1 ZINC000226751941 564153192 /nfs/dbraw/zinc/15/31/92/564153192.db2.gz FFRYQJLSPUTKLL-HEHNFIMWSA-N 0 0 343.814 3.651 50 30 EHEARN CC(=O)NCc1ccc(-c2csc(Nc3ccc(C#N)cc3)n2)o1 ZINC000058244733 564158203 /nfs/dbraw/zinc/15/82/03/564158203.db2.gz NFPBCMYBSQBPFI-UHFFFAOYSA-N 0 0 338.392 3.654 50 30 EHEARN N#Cc1ccc(NC(=O)c2cc(Br)cs2)cc1C#N ZINC000173096457 564168708 /nfs/dbraw/zinc/16/87/08/564168708.db2.gz DCIZZVCFWVZHQU-UHFFFAOYSA-N 0 0 332.182 3.506 50 30 EHEARN Cc1nc(NC(=O)c2nc(C(C)C)cs2)sc1SCC#N ZINC000069703802 564171641 /nfs/dbraw/zinc/17/16/41/564171641.db2.gz UYVKYLKXVYYZRF-UHFFFAOYSA-N 0 0 338.483 3.899 50 30 EHEARN CCC(=O)Nc1cccc(C(=O)N(CCC#N)c2cccc(C)c2)c1 ZINC000069519664 564170122 /nfs/dbraw/zinc/17/01/22/564170122.db2.gz HIQJDWHXTUWOKW-UHFFFAOYSA-N 0 0 335.407 3.904 50 30 EHEARN Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2)nn1C(C)(C)C ZINC000069918751 564172809 /nfs/dbraw/zinc/17/28/09/564172809.db2.gz CZGHYJINXVVMOQ-HNNXBMFYSA-N 0 0 330.819 3.595 50 30 EHEARN N#C[C@]1(c2nc3ccccc3[nH]2)Cc2c(F)cccc2N2CCC[C@H]21 ZINC000006566355 568420900 /nfs/dbraw/zinc/42/09/00/568420900.db2.gz HYZGUYCLLHUMPU-AZUAARDMSA-N 0 0 332.382 3.688 50 30 EHEARN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000006911061 568420997 /nfs/dbraw/zinc/42/09/97/568420997.db2.gz WQRLGSBSYOJPPG-UHFFFAOYSA-N 0 0 339.464 3.964 50 30 EHEARN O=C(/C=C/c1ccc(-n2ccnc2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000024968974 1022279073 /nfs/dbraw/zinc/27/90/73/1022279073.db2.gz VKVLIAGDPHPKMM-FNORWQNLSA-N 0 0 337.310 3.816 50 30 EHEARN C[C@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000340435673 1023127776 /nfs/dbraw/zinc/12/77/76/1023127776.db2.gz UXZARZGWKLWFQM-MBFWDRTGSA-N 0 0 343.386 3.956 50 30 EHEARN O=C1N/C(=N/C2CCCC2)S/C1=C\c1c[nH]c(C(F)(F)F)c1 ZINC000606442768 1033505601 /nfs/dbraw/zinc/50/56/01/1033505601.db2.gz LJHBQGOHEGEIKB-YHYXMXQVSA-N 0 0 329.347 3.536 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(C#N)c1)CCO2 ZINC000255616873 1033659421 /nfs/dbraw/zinc/65/94/21/1033659421.db2.gz QHEOJDUDTYIDCU-NTEUORMPSA-N 0 0 335.359 3.624 50 30 EHEARN C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2OC)cc1OC ZINC000097676081 1035160179 /nfs/dbraw/zinc/16/01/79/1035160179.db2.gz GNOOLYDMEWOVJR-BENRWUELSA-N 0 0 339.391 3.921 50 30 EHEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000005128411 1037461863 /nfs/dbraw/zinc/46/18/63/1037461863.db2.gz JZHJJZUKZQDJGO-BQYQJAHWSA-N 0 0 343.335 3.517 50 30 EHEARN O=C(/C=C\c1ccsc1)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000096765436 1038634074 /nfs/dbraw/zinc/63/40/74/1038634074.db2.gz DXMAQDJVRMEGRS-BAQGIRSFSA-N 0 0 341.432 3.645 50 30 EHEARN COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000006580443 1043490773 /nfs/dbraw/zinc/49/07/73/1043490773.db2.gz PGLMCDFGQNAYCR-RMKNXTFCSA-N 0 0 343.335 3.517 50 30 EHEARN CC(C)(C)c1n[nH]cc1C=CC(=O)c1cccc(N2CCCC2=O)c1 ZINC000063277997 1126905584 /nfs/dbraw/zinc/90/55/84/1126905584.db2.gz MPLLZKJJNCMEDU-MDZDMXLPSA-N 0 0 337.423 3.730 50 30 EHEARN N#Cc1cnc(CSc2nc3c(n2-c2ccccc2)CCCC3)nc1 ZINC000584280795 1136728390 /nfs/dbraw/zinc/72/83/90/1136728390.db2.gz WCJAMDGKCIFUQJ-UHFFFAOYSA-N 0 0 347.447 3.705 50 30 EHEARN C#CCCC1(CCC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)N=N1 ZINC000952883000 1137483434 /nfs/dbraw/zinc/48/34/34/1137483434.db2.gz VSYIMYARZFKGIW-MRXNPFEDSA-N 0 0 345.830 3.596 50 30 EHEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)C1=C(C)OCCO1 ZINC000952961376 1137483828 /nfs/dbraw/zinc/48/38/28/1137483828.db2.gz POIUKMCHPSLNRF-MSOLQXFVSA-N 0 0 325.408 3.739 50 30 EHEARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cc(C#N)c2ccccc21 ZINC000051319090 214088814 /nfs/dbraw/zinc/08/88/14/214088814.db2.gz HLOAURCLTSKDIJ-INIZCTEOSA-N 0 0 331.419 3.650 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000004728356 210261160 /nfs/dbraw/zinc/26/11/60/210261160.db2.gz GFPUAXVQDMOWKI-INIZCTEOSA-N 0 0 331.437 3.525 50 30 EHEARN C=CCn1cc(CN(Cc2ccccc2F)[C@@H](C)COC)c(C)n1 ZINC000055197372 214286763 /nfs/dbraw/zinc/28/67/63/214286763.db2.gz SXCLZWHIWHXVAI-HNNXBMFYSA-N 0 0 331.435 3.554 50 30 EHEARN COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(F)cc1 ZINC000004685318 210248104 /nfs/dbraw/zinc/24/81/04/210248104.db2.gz PHYMGDVPYAKNGY-PORMKJMCSA-N 0 0 329.327 3.566 50 30 EHEARN CCCCCCCC(=O)NCC(=O)CNC(=O)CCCCCCC ZINC000100661364 219103971 /nfs/dbraw/zinc/10/39/71/219103971.db2.gz BMWNBQRDDSLBOD-UHFFFAOYSA-N 0 0 340.508 3.509 50 30 EHEARN Cn1c2ccccc2c2nnc(N=NCc3ccccc3Cl)nc21 ZINC000004457575 210194102 /nfs/dbraw/zinc/19/41/02/210194102.db2.gz SNFUYYIYWZUKDH-VXLYETTFSA-N 0 0 336.786 3.616 50 30 EHEARN COc1ccc(C#N)cc1NCc1ccc(-n2nc(C)cc2C)cc1 ZINC000064553372 214791721 /nfs/dbraw/zinc/79/17/21/214791721.db2.gz SCXZRNWYKBORHE-UHFFFAOYSA-N 0 0 332.407 3.982 50 30 EHEARN Cc1nc2ccccc2c(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)n1 ZINC000004240398 210149501 /nfs/dbraw/zinc/14/95/01/210149501.db2.gz DNAKWANPSIXAGA-LBPRGKRZSA-N 0 0 348.431 3.929 50 30 EHEARN Cn1cc(Br)c(C=NNc2ccc(Cl)cc2Cl)n1 ZINC000004382884 210182966 /nfs/dbraw/zinc/18/29/66/210182966.db2.gz UAISDTVCOSYOJF-PJQLUOCWSA-N 0 0 348.031 3.935 50 30 EHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 ZINC000003901732 210089043 /nfs/dbraw/zinc/08/90/43/210089043.db2.gz PAYKXQQTEKNZPT-LJQANCHMSA-N 0 0 337.419 3.692 50 30 EHEARN N#Cc1nc(-c2ccc(F)cc2)oc1NCc1cccc2c1OCO2 ZINC000003644692 210069745 /nfs/dbraw/zinc/06/97/45/210069745.db2.gz QRBYYURFQYHFJZ-UHFFFAOYSA-N 0 0 337.310 3.693 50 30 EHEARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC#N)cc12 ZINC000003552995 210052896 /nfs/dbraw/zinc/05/28/96/210052896.db2.gz QBEIRBCMRVIDCR-UHFFFAOYSA-N 0 0 345.811 3.788 50 30 EHEARN CC[C@@H](C)/N=C\c1c(=O)n2cccc(C)c2nc1Nc1ccccc1 ZINC000102642183 219217505 /nfs/dbraw/zinc/21/75/05/219217505.db2.gz LGBHTVHMCNLCHI-PJMHOZITSA-N 0 0 334.423 3.964 50 30 EHEARN CN(CC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)cc1Cl ZINC000003415396 210032807 /nfs/dbraw/zinc/03/28/07/210032807.db2.gz XXPBNBLZSVNMJY-UHFFFAOYSA-N 0 0 348.233 3.936 50 30 EHEARN O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccccc1OC(F)F ZINC000003323304 210007028 /nfs/dbraw/zinc/00/70/28/210007028.db2.gz IJYBPKPDKVDEPL-LCYFTJDESA-N 0 0 338.379 3.791 50 30 EHEARN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c1 ZINC000002336595 209841180 /nfs/dbraw/zinc/84/11/80/209841180.db2.gz OUSTULVDUAGIBR-GOSISDBHSA-N 0 0 347.370 3.533 50 30 EHEARN C=CCSCC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000069513059 215451857 /nfs/dbraw/zinc/45/18/57/215451857.db2.gz WQJSCJALDHPVLB-UHFFFAOYSA-N 0 0 340.876 3.678 50 30 EHEARN C[C@@H]1CCc2sc(NC(=O)c3ccccc3[N+](=O)[O-])c(C#N)c2C1 ZINC000001518231 209757421 /nfs/dbraw/zinc/75/74/21/209757421.db2.gz CTRKGZOKRRAQQW-SNVBAGLBSA-N 0 0 341.392 3.905 50 30 EHEARN Cc1ccc2c(c1)/C(=N\[O-])C(=O)N2CCOc1ccc2ccccc2c1 ZINC000039853942 213242272 /nfs/dbraw/zinc/24/22/72/213242272.db2.gz DIGGNTSXEXWNCD-LSDHQDQOSA-N 0 0 346.386 3.752 50 30 EHEARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1cccnc1 ZINC000001447320 209750526 /nfs/dbraw/zinc/75/05/26/209750526.db2.gz NJMIKBJSWJTZPE-QPEQYQDCSA-N 0 0 349.337 3.992 50 30 EHEARN COc1ccc(NC(=O)CCSc2nc(C)cc(C)c2C#N)cc1 ZINC000001425207 209744978 /nfs/dbraw/zinc/74/49/78/209744978.db2.gz WQGODJVOULLEDD-UHFFFAOYSA-N 0 0 341.436 3.700 50 30 EHEARN S=C1N=NC(c2cccnc2)N1N=CC(Cl)=Cc1ccccc1 ZINC000001306345 209725629 /nfs/dbraw/zinc/72/56/29/209725629.db2.gz CEMGITWZZWBWGS-YQOHBIRZSA-N 0 0 341.827 3.743 50 30 EHEARN CC(=O)N1CCCCC[C@H]1C1CCN(c2cccc(F)c2C#N)CC1 ZINC000069923881 215633832 /nfs/dbraw/zinc/63/38/32/215633832.db2.gz ANKWSFFKGCTGER-IBGZPJMESA-N 0 0 343.446 3.705 50 30 EHEARN CC(C)c1nc(C#N)c(N2CCC(c3nc4cnccc4o3)CC2)o1 ZINC000035681930 213046411 /nfs/dbraw/zinc/04/64/11/213046411.db2.gz WZJLSISWMYJYMC-UHFFFAOYSA-N 0 0 337.383 3.590 50 30 EHEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1OC ZINC000035585359 213040518 /nfs/dbraw/zinc/04/05/18/213040518.db2.gz CZFAWBILFLMWIW-UHFFFAOYSA-N 0 0 337.423 3.879 50 30 EHEARN C=CCOc1ccc(CN(C)C(=O)c2ccc(Cl)cc2O)cc1 ZINC000032964053 212881482 /nfs/dbraw/zinc/88/14/82/212881482.db2.gz BEHMVPZOBPEPBI-UHFFFAOYSA-N 0 0 331.799 3.883 50 30 EHEARN Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C#N)c1 ZINC000000142672 209447889 /nfs/dbraw/zinc/44/78/89/209447889.db2.gz RFDONZRMXZBMMS-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1Br ZINC000000142140 209446210 /nfs/dbraw/zinc/44/62/10/209446210.db2.gz ZVOGBVDQMXZVLZ-UHFFFAOYSA-N 0 0 331.169 3.582 50 30 EHEARN CCOc1cc(C#N)c(NC(=O)CCc2ccccc2)cc1OCC ZINC000000107181 209425662 /nfs/dbraw/zinc/42/56/62/209425662.db2.gz MFPCXOQUTCDJCL-UHFFFAOYSA-N 0 0 338.407 3.927 50 30 EHEARN C[C@H](c1cccc(O)c1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072630266 216284603 /nfs/dbraw/zinc/28/46/03/216284603.db2.gz RCUBMCYVURXSIK-CYBMUJFWSA-N 0 0 334.379 3.507 50 30 EHEARN N#Cc1cccc(/C=C2\COc3ccc(Br)cc3C2=O)c1 ZINC000023609355 212383972 /nfs/dbraw/zinc/38/39/72/212383972.db2.gz XKHJWNRPFBXLII-NTUHNPAUSA-N 0 0 340.176 3.979 50 30 EHEARN N#Cc1ccc(NC(=O)c2cc(F)cc3nccnc32)cc1Cl ZINC000193687350 240266293 /nfs/dbraw/zinc/26/62/93/240266293.db2.gz GVWKIRXLTAACST-UHFFFAOYSA-N 0 0 326.718 3.546 50 30 EHEARN Cc1ccc(CN2CCN(/N=C\c3cccc(Cl)c3)CC2)cc1 ZINC000022107514 212278101 /nfs/dbraw/zinc/27/81/01/212278101.db2.gz BBCJATHFFDATNK-STZFKDTASA-N 0 0 327.859 3.800 50 30 EHEARN N#Cc1cnc(N2CCC[C@H]2c2cc(F)cc(Br)c2)cn1 ZINC000241644589 242996183 /nfs/dbraw/zinc/99/61/83/242996183.db2.gz PRZFDGWXJDLIKD-AWEZNQCLSA-N 0 0 347.191 3.591 50 30 EHEARN Clc1ccc(CN2CCN(/N=C/C=C/c3ccco3)CC2)cc1 ZINC000019924509 212084871 /nfs/dbraw/zinc/08/48/71/212084871.db2.gz RZEULCYZOKAERR-CRVPNBAOSA-N 0 0 329.831 3.750 50 30 EHEARN COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019849088 212076529 /nfs/dbraw/zinc/07/65/29/212076529.db2.gz OTQNLXDPXYVUIU-KGENOOAVSA-N 0 0 343.858 3.500 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1 ZINC000077438328 216904971 /nfs/dbraw/zinc/90/49/71/216904971.db2.gz MPBXBLUEEYIGNR-UHFFFAOYSA-N 0 0 340.810 3.895 50 30 EHEARN C[C@H](S[C@@H](C(N)=O)c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000079358892 217214607 /nfs/dbraw/zinc/21/46/07/217214607.db2.gz AIHYCZCJNHCKDB-MGPLVRAMSA-N 0 0 332.375 3.857 50 30 EHEARN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012920307 211484192 /nfs/dbraw/zinc/48/41/92/211484192.db2.gz BWMBWHJKQMFAAR-UHFFFAOYSA-N 0 0 348.855 3.813 50 30 EHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000012527914 211398740 /nfs/dbraw/zinc/39/87/40/211398740.db2.gz WWZDOTPMMBLFKJ-UHFFFAOYSA-N 0 0 343.342 3.642 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccccc2Cl)C1 ZINC000012406545 211369997 /nfs/dbraw/zinc/36/99/97/211369997.db2.gz VLIZICOBHWWPIK-AWEZNQCLSA-N 0 0 344.802 3.945 50 30 EHEARN C=CCN1C(=O)COc2ccc(NC(=O)c3cccc(Cl)c3)cc21 ZINC000012237503 211328873 /nfs/dbraw/zinc/32/88/73/211328873.db2.gz JNFLVEHQIYNINT-UHFFFAOYSA-N 0 0 342.782 3.504 50 30 EHEARN O=C1N/C(=N\c2ccc(O)cc2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000011692764 211235829 /nfs/dbraw/zinc/23/58/29/211235829.db2.gz XJWVQTCOKDQXAC-CQSZACIVSA-N 0 0 332.812 3.507 50 30 EHEARN O=C1N/C(=N\c2ccc(O)cc2)S[C@H]1Cc1ccccc1Cl ZINC000011692763 211235028 /nfs/dbraw/zinc/23/50/28/211235028.db2.gz HBWXEPZTARILRO-AWEZNQCLSA-N 0 0 332.812 3.507 50 30 EHEARN N#Cc1ccccc1/C=C/C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000009956120 211137279 /nfs/dbraw/zinc/13/72/79/211137279.db2.gz IBPNAANPKPLVDL-MDZDMXLPSA-N 0 0 327.387 3.638 50 30 EHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c1 ZINC000009643767 211110938 /nfs/dbraw/zinc/11/09/38/211110938.db2.gz DCOOQJOXFLUXPI-ZHACJKMWSA-N 0 0 331.375 3.727 50 30 EHEARN COc1ccc(C)cc1NC(=O)CNc1ccc(Cl)c(C#N)c1 ZINC000009387573 211079626 /nfs/dbraw/zinc/07/96/26/211079626.db2.gz VYRBYBPSQSUUHU-UHFFFAOYSA-N 0 0 329.787 3.579 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Oc1ccc(C#N)cc1 ZINC000008704186 210982943 /nfs/dbraw/zinc/98/29/43/210982943.db2.gz JRCTXRHPYUYENK-OUKQBFOZSA-N 0 0 343.386 3.980 50 30 EHEARN C[C@@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000095414931 218353443 /nfs/dbraw/zinc/35/34/43/218353443.db2.gz XPHXJOBJCKCPJR-MRVPVSSYSA-N 0 0 342.746 3.564 50 30 EHEARN N#C[C@@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1Cl ZINC000095439528 218383323 /nfs/dbraw/zinc/38/33/23/218383323.db2.gz PXGMCCOZEKUFRJ-OCCSQVGLSA-N 0 0 347.827 3.643 50 30 EHEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@H](C)CC2 ZINC000006403656 210629993 /nfs/dbraw/zinc/62/99/93/210629993.db2.gz SCWYJDAEMXVVCL-SNVBAGLBSA-N 0 0 338.498 3.522 50 30 EHEARN COc1cccc([C@H]2C3=C(NC(C)=C2C(C)=O)c2ccccc2C3=O)c1 ZINC000005433071 210463110 /nfs/dbraw/zinc/46/31/10/210463110.db2.gz ZVVHRGLAYPUVSJ-LJQANCHMSA-N 0 0 345.398 3.853 50 30 EHEARN N#Cc1ccc(C=CC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000096940965 218904204 /nfs/dbraw/zinc/90/42/04/218904204.db2.gz HGLHQBKSOJBKQI-KHPPLWFESA-N 0 0 344.414 3.693 50 30 EHEARN CCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000005092563 210388999 /nfs/dbraw/zinc/38/89/99/210388999.db2.gz FZVNHHVAJMYSBL-YXUFTKHFSA-N 0 0 341.436 3.914 50 30 EHEARN C=CCOc1ccccc1/C=C1\Oc2ccc(C(=O)OC)cc2C1=O ZINC000005047898 210374743 /nfs/dbraw/zinc/37/47/43/210374743.db2.gz PJIYPZANBUOHKJ-PDGQHHTCSA-N 0 0 336.343 3.654 50 30 EHEARN CCCCc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000005012165 210361144 /nfs/dbraw/zinc/36/11/44/210361144.db2.gz AAKJZPLRDHZNOA-UHFFFAOYSA-N 0 0 346.434 3.622 50 30 EHEARN CCOC(=O)CSCC(=NNc1ccccc1)c1ccccc1 ZINC000004899210 210316610 /nfs/dbraw/zinc/31/66/10/210316610.db2.gz NZIHNSQUWQOVFF-JZJYNLBNSA-N 0 0 328.437 3.799 50 30 EHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2)C1=O ZINC000004755481 210271603 /nfs/dbraw/zinc/27/16/03/210271603.db2.gz WNEKJLWVQKMLPG-QINSGFPZSA-N 0 0 337.400 3.840 50 30 EHEARN C=CCNc1nnc(SCc2nc(-c3ccsc3)no2)s1 ZINC000007476168 258043268 /nfs/dbraw/zinc/04/32/68/258043268.db2.gz JZTZCJGJJUYJAP-UHFFFAOYSA-N 0 0 337.455 3.540 50 30 EHEARN CNC(=O)CC(=O)Nc1cc(-c2ccsc2)nn1-c1ccccc1 ZINC000330033055 258001777 /nfs/dbraw/zinc/00/17/77/258001777.db2.gz WCAGBIDWYYQMOL-UHFFFAOYSA-N 0 0 340.408 3.516 50 30 EHEARN Cc1ccc(Cc2ccccn2)cc1NC(=O)NCC1CCOCC1 ZINC000330032497 258002442 /nfs/dbraw/zinc/00/24/42/258002442.db2.gz OFHPFDVVBGZBHH-UHFFFAOYSA-N 0 0 339.439 3.733 50 30 EHEARN C=C(C)COc1ccccc1C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000055036857 258014924 /nfs/dbraw/zinc/01/49/24/258014924.db2.gz AYLWNAUDTLTUNZ-UHFFFAOYSA-N 0 0 335.407 3.790 50 30 EHEARN C=CCN(Cc1cccs1)C(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000048324874 258015522 /nfs/dbraw/zinc/01/55/22/258015522.db2.gz VDCWHPZEQOXNHA-UHFFFAOYSA-N 0 0 340.452 3.902 50 30 EHEARN C=CCn1c(CCSCc2ccc(OC)c(C)c2)n[nH]c1=S ZINC000013152825 258017585 /nfs/dbraw/zinc/01/75/85/258017585.db2.gz PLDNIEYPOQEYHH-UHFFFAOYSA-N 0 0 335.498 3.920 50 30 EHEARN C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1ccco1 ZINC000000094419 258017617 /nfs/dbraw/zinc/01/76/17/258017617.db2.gz IPHSFVJGSTXKNL-UHFFFAOYSA-N 0 0 339.380 3.553 50 30 EHEARN CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C#N ZINC000000995004 258048978 /nfs/dbraw/zinc/04/89/78/258048978.db2.gz UCPULCCYKKKGDU-UHFFFAOYSA-N 0 0 329.381 3.960 50 30 EHEARN CCn1cc(C(=O)/C=C\c2cc(O)ccc2Br)c(C)n1 ZINC000006636602 258052218 /nfs/dbraw/zinc/05/22/18/258052218.db2.gz UQXRVXVSMJLRAX-DAXSKMNVSA-N 0 0 335.201 3.576 50 30 EHEARN CCOc1ccc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)cc1 ZINC000013541190 258056084 /nfs/dbraw/zinc/05/60/84/258056084.db2.gz BYYCUPLLTSWUOI-GRSHGNNSSA-N 0 0 338.359 3.669 50 30 biogenic EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C ZINC000253497764 258073469 /nfs/dbraw/zinc/07/34/69/258073469.db2.gz BFZHCUBIASXHPK-KCTPXNJMSA-N 0 0 330.468 3.694 50 30 EHEARN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000060163497 518261199 /nfs/dbraw/zinc/26/11/99/518261199.db2.gz DXRBWUTXZLGCFI-AWEZNQCLSA-N 0 0 345.801 3.908 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCCCC1 ZINC000004943571 518798918 /nfs/dbraw/zinc/79/89/18/518798918.db2.gz NKBQGEFGKPWASF-UHFFFAOYSA-N 0 0 325.412 3.832 50 30 EHEARN C=CCSc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2)s1 ZINC000007594229 519089041 /nfs/dbraw/zinc/08/90/41/519089041.db2.gz RKSGPCPRCOITIY-NSHDSACASA-N 0 0 335.454 3.531 50 30 EHEARN CCCNC(=O)O/N=C(/COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000005468568 519887271 /nfs/dbraw/zinc/88/72/71/519887271.db2.gz BNOJLLSBMQKELX-JXAWBTAJSA-N 0 0 337.376 3.512 50 30 EHEARN CCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](C)S2)cc1 ZINC000016818861 520102754 /nfs/dbraw/zinc/10/27/54/520102754.db2.gz DISRUNSTYOJZCY-HTMJNSLASA-N 0 0 333.457 3.587 50 30 EHEARN CCOc1cc(C#N)ccc1OCc1nnc(Cc2ccccc2C)o1 ZINC000089991005 520653680 /nfs/dbraw/zinc/65/36/80/520653680.db2.gz DVBSHLNPKLNJNA-UHFFFAOYSA-N 0 0 349.390 3.818 50 30 EHEARN COc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc(OC)c1O ZINC000096297139 521982013 /nfs/dbraw/zinc/98/20/13/521982013.db2.gz XJWZDOOKTLYCRT-FPLPWBNLSA-N 0 0 344.411 3.700 50 30 EHEARN COc1ccc(/C(C)=N/OCO/N=C(\C)c2ccc(OC)cc2)cc1 ZINC000004452461 523363829 /nfs/dbraw/zinc/36/38/29/523363829.db2.gz ZXYLEJRWQPWRNC-OZNQKUEASA-N 0 0 342.395 3.843 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccccc1 ZINC000018044118 524034371 /nfs/dbraw/zinc/03/43/71/524034371.db2.gz HVEQVBWCRJHCAR-UYRXBGFRSA-N 0 0 335.403 3.724 50 30 EHEARN COc1ccccc1OCC#CCNC(=O)c1cccc2ccccc21 ZINC000090610367 524655030 /nfs/dbraw/zinc/65/50/30/524655030.db2.gz ZMLWFNTWTJXNDW-UHFFFAOYSA-N 0 0 345.398 3.661 50 30 EHEARN COc1cccc(/C=C/C(=O)c2c(OC)cccc2OC)c1OC ZINC000004252742 525763410 /nfs/dbraw/zinc/76/34/10/525763410.db2.gz BUMXTOQERPAXTC-VAWYXSNFSA-N 0 0 328.364 3.617 50 30 EHEARN N#CCc1nc(CSc2nc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC000001794233 526487645 /nfs/dbraw/zinc/48/76/45/526487645.db2.gz FYVZLEUFMPZJHJ-UHFFFAOYSA-N 0 0 332.366 3.551 50 30 EHEARN N#CC(C(=O)COCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000048813506 526489952 /nfs/dbraw/zinc/48/99/52/526489952.db2.gz IDGPMWSNZQWNCT-ZDUSSCGKSA-N 0 0 339.782 3.609 50 30 EHEARN N#C[C@H](NC(=O)CCCc1ccccn1)c1c(F)cccc1Cl ZINC000095396514 526510071 /nfs/dbraw/zinc/51/00/71/526510071.db2.gz OXJDPCSKMVCVLV-HNNXBMFYSA-N 0 0 331.778 3.578 50 30 EHEARN O=C(NCC(=NNc1ccccc1)c1ccccc1)c1ccccc1 ZINC000018193637 527468432 /nfs/dbraw/zinc/46/84/32/527468432.db2.gz QUINQAMXWNJBJL-GFMRDNFCSA-N 0 0 329.403 3.933 50 30 EHEARN OCC#Cc1csc(CN(Cc2ccsc2)Cc2ccco2)c1 ZINC000055370800 527521627 /nfs/dbraw/zinc/52/16/27/527521627.db2.gz ICAAXQLOPAOTJG-UHFFFAOYSA-N 0 0 343.473 3.949 50 30 EHEARN O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCO2 ZINC000034857041 527655270 /nfs/dbraw/zinc/65/52/70/527655270.db2.gz AJFKLVWKKFGIOZ-CLTKARDFSA-N 0 0 332.302 3.955 50 30 EHEARN Cc1ccc2c(c1Br)/C(=N/c1ccc(F)cc1)C(=O)N2 ZINC000017750152 564012921 /nfs/dbraw/zinc/01/29/21/564012921.db2.gz PGHCTRSLZRQFGU-UHFFFAOYSA-N 0 0 333.160 3.970 50 30 EHEARN O=C1CCCC2=Nc3ncnn3[C@H](c3cccc(Cl)c3Cl)C12 ZINC000000071133 563215469 /nfs/dbraw/zinc/21/54/69/563215469.db2.gz QZYYADVBFDVCNJ-CQSZACIVSA-N 0 0 335.194 3.607 50 30 EHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(Cl)cc1 ZINC000000132151 563238791 /nfs/dbraw/zinc/23/87/91/563238791.db2.gz YKCCVGGGFQWBBE-UHFFFAOYSA-N 0 0 341.823 3.666 50 30 EHEARN CCN(CC)c1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000000491649 563338348 /nfs/dbraw/zinc/33/83/48/563338348.db2.gz DRCVCGPCPLQWDM-XMHGGMMESA-N 0 0 326.469 3.853 50 30 EHEARN C[C@@H](NC(=O)c1cccc(CC#N)c1)c1nc(C(C)(C)C)cs1 ZINC000071882891 563377385 /nfs/dbraw/zinc/37/73/85/563377385.db2.gz FBXFHRKVSNAWOJ-GFCCVEGCSA-N 0 0 327.453 3.998 50 30 EHEARN CCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000002049903 563419424 /nfs/dbraw/zinc/41/94/24/563419424.db2.gz CHDOSFRPGKFNMO-UHFFFAOYSA-N 0 0 329.444 3.783 50 30 EHEARN CCc1cc(NC(=O)c2cccc(F)c2)nn1-c1ccc(C#N)cc1 ZINC000034907295 563481822 /nfs/dbraw/zinc/48/18/22/563481822.db2.gz VRACAWNLLHLZNE-UHFFFAOYSA-N 0 0 334.354 3.698 50 30 EHEARN COc1cc(Br)cc(/C=N/c2cc(C)ccc2O)c1O ZINC000002756252 563612399 /nfs/dbraw/zinc/61/23/99/563612399.db2.gz DXNGDULLVXQBEZ-CAOOACKPSA-N 0 0 336.185 3.928 50 30 EHEARN N#Cc1cnc2ccccc2c1NCc1nnc(C2CC2)n1C1CC1 ZINC000127074133 563646416 /nfs/dbraw/zinc/64/64/16/563646416.db2.gz BCWJSGKOFOODPT-UHFFFAOYSA-N 0 0 330.395 3.522 50 30 EHEARN O=C1N/C(=N/c2ccc(F)cc2)S[C@H]1Cc1ccc(Cl)cc1 ZINC000013584504 563702946 /nfs/dbraw/zinc/70/29/46/563702946.db2.gz ZKNYHSRMJANWIC-AWEZNQCLSA-N 0 0 334.803 3.941 50 30 EHEARN C[C@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccccc2)C1 ZINC000016956957 563827223 /nfs/dbraw/zinc/82/72/23/563827223.db2.gz HPHLQXGLDTWYKJ-YMTOWFKASA-N 0 0 348.328 3.565 50 30 EHEARN CN1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000036385037 563920267 /nfs/dbraw/zinc/92/02/67/563920267.db2.gz YMHXBLYNWADRDL-UHFFFAOYSA-N 0 0 327.453 3.644 50 30 EHEARN CCc1nc(-c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)no1 ZINC000032996328 563921677 /nfs/dbraw/zinc/92/16/77/563921677.db2.gz SDDTWPFUJFOVCT-UHFFFAOYSA-N 0 0 333.351 3.815 50 30 EHEARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c1OC ZINC000013689703 563931815 /nfs/dbraw/zinc/93/18/15/563931815.db2.gz GAVPVKWVYVQVTQ-INIZCTEOSA-N 0 0 340.379 3.565 50 30 EHEARN CCCCc1nc(N2CCOCC2)c(C#N)c2c1CSC(C)(C)C2 ZINC000013757260 563932637 /nfs/dbraw/zinc/93/26/37/563932637.db2.gz WINLXXQOFNAOOM-UHFFFAOYSA-N 0 0 345.512 3.700 50 30 EHEARN N#CCSCC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000058249420 563940845 /nfs/dbraw/zinc/94/08/45/563940845.db2.gz IYKHHKWZCSKVQQ-QGZVFWFLSA-N 0 0 346.402 3.622 50 30 EHEARN COC(=O)c1sc2ncc(/C=C/C(=O)c3cccnc3)cc2c1C ZINC000058367869 563944018 /nfs/dbraw/zinc/94/40/18/563944018.db2.gz ZZQBALMNMVCDSD-AATRIKPKSA-N 0 0 338.388 3.682 50 30 EHEARN NC(Cc1ccccc1Cl)=NOCc1cccc2cccnc21 ZINC000058497868 563946705 /nfs/dbraw/zinc/94/67/05/563946705.db2.gz UBBKIWXMLGQYHR-UHFFFAOYSA-N 0 0 325.799 3.920 50 30 EHEARN Cn1ccnc1COc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000096443633 563953186 /nfs/dbraw/zinc/95/31/86/563953186.db2.gz PDNVIWRNLDGMGQ-UHFFFAOYSA-N 0 0 347.378 3.515 50 30 EHEARN N#Cc1ccc(CNC(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000096468826 563954483 /nfs/dbraw/zinc/95/44/83/563954483.db2.gz BFDOHPXNPIGVBA-UHFFFAOYSA-N 0 0 329.350 3.535 50 30 EHEARN C=C(C)CN(C)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000097165654 563968536 /nfs/dbraw/zinc/96/85/36/563968536.db2.gz PXNOUEFNKCFAFZ-UHFFFAOYSA-N 0 0 343.221 3.506 50 30 EHEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC[C@H]1c1ccccn1 ZINC000077521810 563970231 /nfs/dbraw/zinc/97/02/31/563970231.db2.gz AEIZMSHCGDNRQL-FQEVSTJZSA-N 0 0 346.430 3.952 50 30 EHEARN C=C(C)COc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000006743727 563970486 /nfs/dbraw/zinc/97/04/86/563970486.db2.gz UWBCPLJPISVNSH-UHFFFAOYSA-N 0 0 327.380 3.911 50 30 EHEARN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1 ZINC000014159657 563983341 /nfs/dbraw/zinc/98/33/41/563983341.db2.gz SGIKSSRWWRNBFB-UHFFFAOYSA-N 0 0 343.452 3.552 50 30 EHEARN Cc1cc(C)cc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 ZINC000000131059 563986958 /nfs/dbraw/zinc/98/69/58/563986958.db2.gz RUBDYCGLZMVCAS-UHFFFAOYSA-N 0 0 335.432 3.630 50 30 EHEARN CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000000222667 563988862 /nfs/dbraw/zinc/98/88/62/563988862.db2.gz GIEGIQNJZRTGNC-AWEZNQCLSA-N 0 0 346.843 3.675 50 30 EHEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2cccc(F)c2)cc1 ZINC000000263958 563989818 /nfs/dbraw/zinc/98/98/18/563989818.db2.gz XZYYRNCYVMKPCX-DEDYPNTBSA-N 0 0 344.459 3.992 50 30 EHEARN Cn1cc(CNc2cc(C3CC3)ccn2)c(-c2ccc(C#N)cc2)n1 ZINC000289797569 563996442 /nfs/dbraw/zinc/99/64/42/563996442.db2.gz LXOYMKLIEDARLY-UHFFFAOYSA-N 0 0 329.407 3.843 50 30 EHEARN COc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000252632045 563998018 /nfs/dbraw/zinc/99/80/18/563998018.db2.gz VPCMZQHQQJKAHI-UHFFFAOYSA-N 0 0 334.379 3.694 50 30 EHEARN C=CCc1cc(OC)ccc1Oc1nc2ccccc2n2cnnc12 ZINC000005426186 564003817 /nfs/dbraw/zinc/00/38/17/564003817.db2.gz HFUQAZBQZIPMIO-UHFFFAOYSA-N 0 0 332.363 3.807 50 30 EHEARN C=CCn1c(SCCC#N)nc2sc3c(c2c1=O)CCCC3 ZINC000003150354 564015232 /nfs/dbraw/zinc/01/52/32/564015232.db2.gz KBIIKDQXVXPNOW-UHFFFAOYSA-N 0 0 331.466 3.529 50 30 EHEARN C#CCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100910016 564017055 /nfs/dbraw/zinc/01/70/55/564017055.db2.gz VDALIOWXDQVHPA-XDOYNYLZSA-N 0 0 345.427 3.566 50 30 EHEARN O/N=C/c1cn(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc12 ZINC000101147632 564019256 /nfs/dbraw/zinc/01/92/56/564019256.db2.gz CHFUDUATUOYKJN-UPWAIKHBSA-N 0 0 344.798 3.543 50 30 EHEARN COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000102389303 564019975 /nfs/dbraw/zinc/01/99/75/564019975.db2.gz HCPVNVBBHRMJCI-KEYYUXOJSA-N 0 0 340.423 3.581 50 30 EHEARN N#Cc1nc(Cc2cccc3ccccc32)oc1NC[C@H]1CCCO1 ZINC000000537670 564022067 /nfs/dbraw/zinc/02/20/67/564022067.db2.gz QVIKJHVQZZNLHM-MRXNPFEDSA-N 0 0 333.391 3.881 50 30 EHEARN Cc1cccc(C2(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3F)CC2)c1 ZINC000103633203 564023028 /nfs/dbraw/zinc/02/30/28/564023028.db2.gz BPTMMURBKFMINT-OAHLLOKOSA-N 0 0 336.366 3.513 50 30 EHEARN N#CCCCOc1cccc(NC(=O)NCc2ccc(F)cc2)c1 ZINC000047735131 564029705 /nfs/dbraw/zinc/02/97/05/564029705.db2.gz ZYXIWFSGHOOHBE-UHFFFAOYSA-N 0 0 327.359 3.830 50 30 EHEARN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000002856590 564036244 /nfs/dbraw/zinc/03/62/44/564036244.db2.gz IJLYOWBOEJBLSG-AQTBWJFISA-N 0 0 349.411 3.935 50 30 EHEARN C=CCN(CP(=O)(OCC)OCC)C(=O)c1ccccc1F ZINC000003002635 564044074 /nfs/dbraw/zinc/04/40/74/564044074.db2.gz NZXVVVUWAJWDIX-UHFFFAOYSA-N 0 0 329.308 3.678 50 30 EHEARN C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3/C(=N\O)C[C@]12C ZINC000257355816 564055933 /nfs/dbraw/zinc/05/59/33/564055933.db2.gz CVXAFNPPFCWCEW-PKSKQWADSA-N 0 0 349.515 3.827 50 30 EHEARN Cc1nc(CC(N)=NOCc2ccc(C(F)(F)F)cc2)cs1 ZINC000063456826 564057532 /nfs/dbraw/zinc/05/75/32/564057532.db2.gz VHAUFPLYVYLVNL-UHFFFAOYSA-N 0 0 329.347 3.502 50 30 EHEARN CC(=O)O[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004081274 564061871 /nfs/dbraw/zinc/06/18/71/564061871.db2.gz AEFVYXKODUCZPV-XIJMDMOPSA-N 0 0 346.467 3.675 50 30 biogenic EHEARN C=CCn1cc(-c2cc(-c3c[nH]c4ccccc43)nc(N)c2C#N)cn1 ZINC000071711977 564063791 /nfs/dbraw/zinc/06/37/91/564063791.db2.gz IZXBRTSBQBRJLX-UHFFFAOYSA-N 0 0 340.390 3.733 50 30 EHEARN C=CCSCC(=O)Nc1cccc(Cl)c1OCCOCC ZINC000058419662 564065289 /nfs/dbraw/zinc/06/52/89/564065289.db2.gz ZEPIJYKXQPTWMG-UHFFFAOYSA-N 0 0 329.849 3.613 50 30 EHEARN C=CCOc1cccc(CN(CC)C(=O)c2oc(CC)nc2C)c1 ZINC000065371273 564066776 /nfs/dbraw/zinc/06/67/76/564066776.db2.gz PIWDFHOXANPAKT-UHFFFAOYSA-N 0 0 328.412 3.773 50 30 EHEARN N#C[C@@H](NC(=O)CCSc1ccccn1)c1cccc(Cl)c1 ZINC000087273638 564068565 /nfs/dbraw/zinc/06/85/65/564068565.db2.gz OMPBCZWCUZQGHK-CQSZACIVSA-N 0 0 331.828 3.598 50 30 EHEARN COc1cccc([C@@H](C)CC(=O)N[C@@H](C#N)c2ccccc2OC)c1 ZINC000084598783 564068997 /nfs/dbraw/zinc/06/89/97/564068997.db2.gz AYTDYZSYXWJQJN-KSSFIOAISA-N 0 0 338.407 3.578 50 30 EHEARN C=CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O ZINC000013898022 564074016 /nfs/dbraw/zinc/07/40/16/564074016.db2.gz LWNJNUFQQKACAH-XYOKQWHBSA-N 0 0 325.842 3.736 50 30 EHEARN C=CCN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OCC)c2)C1=O ZINC000015011148 564074212 /nfs/dbraw/zinc/07/42/12/564074212.db2.gz DYSXJMDTSALTDW-WQLSENKSSA-N 0 0 339.800 3.667 50 30 EHEARN COc1ccc(OC(=O)c2cncc(C#Cc3ccccc3)c2)cc1 ZINC000000170195 564074485 /nfs/dbraw/zinc/07/44/85/564074485.db2.gz HOYOIAGRJQJIEN-UHFFFAOYSA-N 0 0 329.355 3.709 50 30 EHEARN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O ZINC000001127370 564074673 /nfs/dbraw/zinc/07/46/73/564074673.db2.gz IESZRKXIKHRHER-RVDMUPIBSA-N 0 0 339.420 3.711 50 30 EHEARN CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@@H]([Si](C)(C)C)CC[C@@]2(C)C1=O ZINC000169834268 564076398 /nfs/dbraw/zinc/07/63/98/564076398.db2.gz CFIXTLLOVQQGOX-KKXDTOCCSA-N 0 0 340.536 3.870 50 30 EHEARN Cc1ccc(N(CCC#N)C(=O)c2ccncc2Br)cc1 ZINC000151038513 564080321 /nfs/dbraw/zinc/08/03/21/564080321.db2.gz YUJRNRBDYYRMHE-UHFFFAOYSA-N 0 0 344.212 3.713 50 30 EHEARN C=CCn1nnc(NCc2ccc(-c3ccc(C)c(Cl)c3)o2)n1 ZINC000032617080 564079353 /nfs/dbraw/zinc/07/93/53/564079353.db2.gz UQZAOGAEXXWOHI-UHFFFAOYSA-N 0 0 329.791 3.693 50 30 EHEARN CCN(Cc1ccccc1NCc1cc(C#N)ccc1F)C(C)=O ZINC000075094691 564079982 /nfs/dbraw/zinc/07/99/82/564079982.db2.gz HVCRJELXIAUICD-UHFFFAOYSA-N 0 0 325.387 3.678 50 30 EHEARN N#Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000075584466 564089701 /nfs/dbraw/zinc/08/97/01/564089701.db2.gz HBOLWRNKKAQRJI-GXTWGEPZSA-N 0 0 343.324 3.618 50 30 EHEARN Clc1ccccc1CSc1nncn1/N=C/c1ccccn1 ZINC000001917933 564090023 /nfs/dbraw/zinc/09/00/23/564090023.db2.gz LFTBDAHELYHAMH-DJKKODMXSA-N 0 0 329.816 3.501 50 30 EHEARN CCCCCCCC(=O)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000521394718 564090860 /nfs/dbraw/zinc/09/08/60/564090860.db2.gz BYMROOPLSUEXID-GOSISDBHSA-N 0 0 347.503 3.503 50 30 EHEARN C=C(C)CN1CCN(C(=O)c2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000426441680 564093756 /nfs/dbraw/zinc/09/37/56/564093756.db2.gz BNEXRCLQQUHOET-UHFFFAOYSA-N 0 0 345.446 3.559 50 30 EHEARN O=C(/C=C/c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000006923025 564101464 /nfs/dbraw/zinc/10/14/64/564101464.db2.gz ALWUGJGCADVWRX-CMDGGOBGSA-N 0 0 329.346 3.698 50 30 EHEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000065331117 564105343 /nfs/dbraw/zinc/10/53/43/564105343.db2.gz XHKLQYMSLSRQCG-GOSISDBHSA-N 0 0 345.402 3.911 50 30 EHEARN C[C@@H](Cc1cccs1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000170611055 564109763 /nfs/dbraw/zinc/10/97/63/564109763.db2.gz LZNQJKJYQOIQNB-LBPRGKRZSA-N 0 0 337.366 3.866 50 30 EHEARN Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1ccccc1 ZINC000013598598 564111824 /nfs/dbraw/zinc/11/18/24/564111824.db2.gz DQPGWPPJDSLOGV-KHZSXKRLSA-N 0 0 337.448 3.849 50 30 EHEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc2cccnc21 ZINC000016708371 564112737 /nfs/dbraw/zinc/11/27/37/564112737.db2.gz CTZVIQOQFYRCIO-UHFFFAOYSA-N 0 0 347.374 3.523 50 30 EHEARN O=S(=O)(NN=Cc1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000252590337 564120847 /nfs/dbraw/zinc/12/08/47/564120847.db2.gz ARQLQFRBDLZISB-UHFFFAOYSA-N 0 0 344.823 3.806 50 30 EHEARN N#Cc1ccc(COC(=O)c2ccc(F)cc2Br)cc1 ZINC000007721870 564122246 /nfs/dbraw/zinc/12/22/46/564122246.db2.gz GQHWZIIQLWHEGC-UHFFFAOYSA-N 0 0 334.144 3.817 50 30 EHEARN COc1cc(Br)cc(C=Nc2ccc(N(C)C)cc2)c1O ZINC000252620132 564122331 /nfs/dbraw/zinc/12/23/31/564122331.db2.gz LXYOCRABGCJRMV-UHFFFAOYSA-N 0 0 349.228 3.980 50 30 EHEARN O=C1c2ccc3c4c(ccc(c42)C(=O)N1N=Cc1ccccc1)CC3 ZINC000252626057 564123315 /nfs/dbraw/zinc/12/33/15/564123315.db2.gz QVHLGSAEVDFGKR-UHFFFAOYSA-N 0 0 326.355 3.569 50 30 EHEARN CN1C(=O)/C(=C/c2ccccc2OCC#N)SC1=Nc1ccccc1 ZINC000252631360 564124008 /nfs/dbraw/zinc/12/40/08/564124008.db2.gz VJYYSUWVYFXSCQ-FZECDQFNSA-N 0 0 349.415 3.823 50 30 EHEARN Cc1ccc(C2=NN/C(=N\c3ccc(F)cc3)SC2)cc1[N+](=O)[O-] ZINC000007889322 564124441 /nfs/dbraw/zinc/12/44/41/564124441.db2.gz XAWQFOBLESJFLX-UHFFFAOYSA-N 0 0 344.371 3.771 50 30 EHEARN CN(C)c1ccc(C=NOC(=O)c2ccccc2Br)cc1 ZINC000252638907 564124602 /nfs/dbraw/zinc/12/46/02/564124602.db2.gz YHBGXLGVFIOCBG-UHFFFAOYSA-N 0 0 347.212 3.706 50 30 EHEARN Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000002276517 564125608 /nfs/dbraw/zinc/12/56/08/564125608.db2.gz PWTAJCXUVVXLSP-UOUGTWJRSA-N 0 0 337.448 3.849 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)/C=C/c1nc2ccccc2s1 ZINC000007780345 564133874 /nfs/dbraw/zinc/13/38/74/564133874.db2.gz IJQMXRWIQMALAM-CMDGGOBGSA-N 0 0 336.372 3.795 50 30 EHEARN CC(C)c1nc(CN(C)Cc2ccc(-c3ccccc3C#N)o2)no1 ZINC000077516471 564134300 /nfs/dbraw/zinc/13/43/00/564134300.db2.gz LQWJTZDBNVANHI-UHFFFAOYSA-N 0 0 336.395 3.957 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000077518078 564134310 /nfs/dbraw/zinc/13/43/10/564134310.db2.gz JCJBPEAWSKJYFE-FQEVSTJZSA-N 0 0 346.430 3.612 50 30 EHEARN Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000027793998 564134539 /nfs/dbraw/zinc/13/45/39/564134539.db2.gz AWYDKFHWPMYNOR-MRXNPFEDSA-N 0 0 330.819 3.757 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000012982410 564135766 /nfs/dbraw/zinc/13/57/66/564135766.db2.gz UJEGAHWDYCDNBH-LLVKDONJSA-N 0 0 332.306 3.566 50 30 EHEARN N#Cc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000013059355 564135948 /nfs/dbraw/zinc/13/59/48/564135948.db2.gz WSZRBUSRHSLOFY-QGZVFWFLSA-N 0 0 333.782 3.512 50 30 EHEARN C[C@@H]1CN(C(=O)Nc2cn(Cc3ccccc3)nn2)[C@H]1c1ccccc1 ZINC000328587965 564136600 /nfs/dbraw/zinc/13/66/00/564136600.db2.gz KPUYZJUVTJKQRQ-DNVCBOLYSA-N 0 0 347.422 3.565 50 30 EHEARN CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000328588211 564136612 /nfs/dbraw/zinc/13/66/12/564136612.db2.gz ZNRNMYTUODDXEZ-UKRRQHHQSA-N 0 0 344.484 3.986 50 30 EHEARN CC(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000328591888 564136745 /nfs/dbraw/zinc/13/67/45/564136745.db2.gz MDXDDMBDBWQDTI-HNNXBMFYSA-N 0 0 348.512 3.901 50 30 EHEARN COc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1OCCCC#N ZINC000095442576 564140511 /nfs/dbraw/zinc/14/05/11/564140511.db2.gz WUAUYWDONYMESN-UHFFFAOYSA-N 0 0 332.363 3.793 50 30 EHEARN CCN(Cc1ccccc1C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000279785707 564141061 /nfs/dbraw/zinc/14/10/61/564141061.db2.gz UVLIMCUYIKOJIT-HXUWFJFHSA-N 0 0 331.419 3.598 50 30 EHEARN Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1 ZINC000096179262 564145844 /nfs/dbraw/zinc/14/58/44/564145844.db2.gz VAWRSFDGIONBFT-YHYXMXQVSA-N 0 0 334.375 3.601 50 30 EHEARN COc1ccccc1C=CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000096308203 564146659 /nfs/dbraw/zinc/14/66/59/564146659.db2.gz BNVBDEMPOSOONH-PIZKADEWSA-N 0 0 346.308 3.999 50 30 EHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)c1 ZINC000096308915 564146664 /nfs/dbraw/zinc/14/66/64/564146664.db2.gz XEGFZDZHVHQJEN-KHPPLWFESA-N 0 0 343.386 3.998 50 30 EHEARN Cc1ccc(-c2nnco2)cc1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000096400728 564147034 /nfs/dbraw/zinc/14/70/34/564147034.db2.gz MQBZMJOEQLPIAJ-CLFYSBASSA-N 0 0 330.347 3.569 50 30 EHEARN N#CCCN(CC(F)(F)F)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000096451942 564148261 /nfs/dbraw/zinc/14/82/61/564148261.db2.gz JHYLYMLKCDBJDD-UHFFFAOYSA-N 0 0 343.736 3.668 50 30 EHEARN N#CC1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000096500293 564148793 /nfs/dbraw/zinc/14/87/93/564148793.db2.gz WZGQLCPHYMDTJT-UHFFFAOYSA-N 0 0 329.734 3.709 50 30 EHEARN CNc1ccc(/C=C\C(=O)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000096861781 564148975 /nfs/dbraw/zinc/14/89/75/564148975.db2.gz WRUDKQWWUDAKNP-DAXSKMNVSA-N 0 0 330.315 3.680 50 30 EHEARN COc1ccc(OC)c(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 ZINC000002570906 564150975 /nfs/dbraw/zinc/15/09/75/564150975.db2.gz OSINQNFUFPGLGB-UHFFFAOYSA-N 0 0 343.766 3.645 50 30 EHEARN COc1ccccc1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002661006 564152067 /nfs/dbraw/zinc/15/20/67/564152067.db2.gz IGDPXBFZJCBSKH-UHFFFAOYSA-N 0 0 326.421 3.688 50 30 EHEARN CCCCCCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000002913117 564153051 /nfs/dbraw/zinc/15/30/51/564153051.db2.gz OUUJBRWYDJDOHO-UHFFFAOYSA-N 0 0 347.455 3.896 50 30 EHEARN CN(C)c1ccc(/C=C/C=N/N=c2/sc3ccccc3n2C)cc1 ZINC000002967302 564153884 /nfs/dbraw/zinc/15/38/84/564153884.db2.gz AQNAVIQYPQLIFP-VXSOLYRASA-N 0 0 336.464 3.906 50 30 EHEARN COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccn3C)n2)cc1 ZINC000066543906 564163342 /nfs/dbraw/zinc/16/33/42/564163342.db2.gz YQXVERYPIJATNE-CQSZACIVSA-N 0 0 337.404 3.647 50 30 EHEARN N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccccn1 ZINC000067601443 564166181 /nfs/dbraw/zinc/16/61/81/564166181.db2.gz QQZCBSHQIZLXEL-AWEZNQCLSA-N 0 0 334.297 3.789 50 30 EHEARN C=CCSCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000069594789 564170813 /nfs/dbraw/zinc/17/08/13/564170813.db2.gz ISCIPXTTZHUBHK-OAHLLOKOSA-N 0 0 343.452 3.709 50 30 EHEARN Cc1nc(C(=O)N2CCCc3c(Cl)ccc(F)c32)ccc1C#N ZINC000069654544 564171201 /nfs/dbraw/zinc/17/12/01/564171201.db2.gz IKTXDQGASAVHRH-UHFFFAOYSA-N 0 0 329.762 3.647 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000069741961 564171909 /nfs/dbraw/zinc/17/19/09/564171909.db2.gz AKLJASGOXRMSNW-UHFFFAOYSA-N 0 0 347.340 3.585 50 30 EHEARN COc1ccc2cc(C#N)c(N3CCO[C@H](c4ccccc4)C3)nc2c1 ZINC000041194139 564173619 /nfs/dbraw/zinc/17/36/19/564173619.db2.gz UQQIQWZORUNQJY-FQEVSTJZSA-N 0 0 345.402 3.693 50 30 EHEARN CCN(CC(=O)Nc1ccc(Cl)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741791 564175216 /nfs/dbraw/zinc/17/52/16/564175216.db2.gz LWPDCFHUOAXILC-CYBMUJFWSA-N 0 0 342.830 3.628 50 30 EHEARN N#Cc1ccc(CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000071796380 564175381 /nfs/dbraw/zinc/17/53/81/564175381.db2.gz ZWGDKNDOBTUIAF-MRXNPFEDSA-N 0 0 332.325 3.911 50 30 EHEARN N#Cc1ccc(Sc2nnc(NCc3ccc(F)cc3)s2)nc1 ZINC000042848108 564175467 /nfs/dbraw/zinc/17/54/67/564175467.db2.gz DCXPACAYKGBFNH-UHFFFAOYSA-N 0 0 343.412 3.707 50 30 EHEARN N#Cc1c(Cl)nsc1NCc1cccnc1N1CCCCC1 ZINC000071832799 564175750 /nfs/dbraw/zinc/17/57/50/564175750.db2.gz BWPFNFANEXJJNX-UHFFFAOYSA-N 0 0 333.848 3.666 50 30 EHEARN O=C(/C=C/c1ccc(-n2ccnc2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000024969893 1022281446 /nfs/dbraw/zinc/28/14/46/1022281446.db2.gz NIJFFGPVNYYWSR-KRXBUXKQSA-N 0 0 337.310 3.816 50 30 EHEARN COc1ccc(O)c(C=Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 ZINC000255435237 1024165690 /nfs/dbraw/zinc/16/56/90/1024165690.db2.gz ATRLZMUMZUHVGH-UHFFFAOYSA-N 0 0 348.406 3.746 50 30 EHEARN N#Cc1cc2c(nc1SCC(=O)NC1CCCCC1)CCCCC2 ZINC000005898675 1027301645 /nfs/dbraw/zinc/30/16/45/1027301645.db2.gz OTBLGZBFUJTZHZ-UHFFFAOYSA-N 0 0 343.496 3.763 50 30 EHEARN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)C2=O)c1 ZINC000085438181 1127544877 /nfs/dbraw/zinc/54/48/77/1127544877.db2.gz SJMQRQWMJYQOHB-HOTGVXAUSA-N 0 0 327.428 3.551 50 30 EHEARN COc1cccc(C)c1C(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000824792648 1131219001 /nfs/dbraw/zinc/21/90/01/1131219001.db2.gz OQLLIGCKLUGIMC-UHFFFAOYSA-N 0 0 334.419 3.701 50 30 EHEARN C[C@](C#N)(NC(=O)c1cc(Cl)ncc1Cl)C1CCCCC1 ZINC000584908807 1136859531 /nfs/dbraw/zinc/85/95/31/1136859531.db2.gz VTELTIDBPUZSNM-OAHLLOKOSA-N 0 0 326.227 3.981 50 30 EHEARN CN(C[C@@H]1CCCOC1)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000585086492 1136981974 /nfs/dbraw/zinc/98/19/74/1136981974.db2.gz PMEQASVWJJGKSF-LBPRGKRZSA-N 0 0 335.473 3.808 50 30 EHEARN C[C@@H]1CC[C@@H](C)N1c1cccc2c1N(C(=O)CSCC#N)CCC2 ZINC000585124396 1137014052 /nfs/dbraw/zinc/01/40/52/1137014052.db2.gz BCHVAQCVIKLUGN-HUUCEWRRSA-N 0 0 343.496 3.600 50 30 EHEARN CCn1cncc1[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000952995361 1137485981 /nfs/dbraw/zinc/48/59/81/1137485981.db2.gz JMKQAUZDTYUVBH-MRXNPFEDSA-N 0 0 341.390 3.673 50 30 EHEARN COc1ccc(C#N)cc1NC(=O)N1CCc2sccc2[C@H]1C ZINC000050107844 214044923 /nfs/dbraw/zinc/04/49/23/214044923.db2.gz QWCHWRSPXYXJLV-LLVKDONJSA-N 0 0 327.409 3.780 50 30 EHEARN O=C(/C=C\c1ccc(Br)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647669 214063851 /nfs/dbraw/zinc/06/38/51/214063851.db2.gz LFWMONPXWOPHRG-BAQGIRSFSA-N 0 0 343.180 3.515 50 30 EHEARN C[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000051366807 214091061 /nfs/dbraw/zinc/09/10/61/214091061.db2.gz OPKYFZMKAXOIAK-RVYXMPNASA-N 0 0 341.411 3.680 50 30 EHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)c1 ZINC000053101747 214164942 /nfs/dbraw/zinc/16/49/42/214164942.db2.gz XEGFZDZHVHQJEN-ZHACJKMWSA-N 0 0 343.386 3.998 50 30 EHEARN Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(C#N)cc3)ccc12 ZINC000053678730 214193568 /nfs/dbraw/zinc/19/35/68/214193568.db2.gz NXFXSTPRRYDUDM-UHFFFAOYSA-N 0 0 332.359 3.544 50 30 EHEARN CCOc1cc(F)ccc1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000055152881 214280748 /nfs/dbraw/zinc/28/07/48/214280748.db2.gz AMWDNYICXWZRGC-LBPRGKRZSA-N 0 0 327.359 3.535 50 30 EHEARN C=CCC1(CC=C)CCCCN1C(=O)c1cc(C(C)C)nc(N)n1 ZINC000055404465 214320181 /nfs/dbraw/zinc/32/01/81/214320181.db2.gz QSBOZZLVAKUOGZ-UHFFFAOYSA-N 0 0 328.460 3.699 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)CCCC(=O)c1ccc(F)cc1 ZINC000056766411 214387204 /nfs/dbraw/zinc/38/72/04/214387204.db2.gz DUBJWXQGFGJCET-UHFFFAOYSA-N 0 0 338.382 3.709 50 30 EHEARN N#Cc1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 ZINC000058159028 214485308 /nfs/dbraw/zinc/48/53/08/214485308.db2.gz VYHTTYLCTCNJSD-UHFFFAOYSA-N 0 0 339.358 3.993 50 30 EHEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccncc3)n2)cc1 ZINC000004652644 210239092 /nfs/dbraw/zinc/23/90/92/210239092.db2.gz DHIROIDALFLLSE-RQZCQDPDSA-N 0 0 325.353 3.559 50 30 EHEARN Cc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)n(CCC#N)n1 ZINC000058289406 214530287 /nfs/dbraw/zinc/53/02/87/214530287.db2.gz SYRPZFZVHUFCAU-UHFFFAOYSA-N 0 0 337.210 3.593 50 30 EHEARN CC[C@H](C(=O)N1CCC(Nc2ncccc2C#N)CC1)c1ccccc1 ZINC000058291861 214533259 /nfs/dbraw/zinc/53/32/59/214533259.db2.gz QBSBWZCPPRKNDO-IBGZPJMESA-N 0 0 348.450 3.550 50 30 EHEARN COCc1cc(C)nc(N=NCc2c(C)[nH]c3ccccc32)c1C#N ZINC000004620694 210233565 /nfs/dbraw/zinc/23/35/65/210233565.db2.gz IPIKXJDLBOJKGO-FBHDLOMBSA-N 0 0 333.395 3.644 50 30 EHEARN COC(=O)c1sc(NC(=O)c2ccccc2Cl)c(C#N)c1C ZINC000004537737 210216627 /nfs/dbraw/zinc/21/66/27/210216627.db2.gz JTSRPNZMHQFSCB-UHFFFAOYSA-N 0 0 334.784 3.621 50 30 EHEARN COc1cccc([C@@H]2CC(=O)C=C(NCc3ccc(F)cc3)C2)c1 ZINC000100150857 219093254 /nfs/dbraw/zinc/09/32/54/219093254.db2.gz SSNPRJXKRCKZOI-INIZCTEOSA-N 0 0 325.383 3.955 50 30 EHEARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC/C2=N/O ZINC000100163808 219093600 /nfs/dbraw/zinc/09/36/00/219093600.db2.gz WJHPNHKVALGIJB-WQRHYEAKSA-N 0 0 338.429 3.568 50 30 EHEARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)C1=COCCO1 ZINC000004479436 210198206 /nfs/dbraw/zinc/19/82/06/210198206.db2.gz FWASXSCMUTVFCL-UHFFFAOYSA-N 0 0 342.138 3.520 50 30 EHEARN COc1ccc2c(c1)CC/C2=N/OC(=O)c1cc(Cl)ccc1OC ZINC000004436046 210192796 /nfs/dbraw/zinc/19/27/96/210192796.db2.gz HKNPTCHPCCZYGQ-SILNSSARSA-N 0 0 345.782 3.865 50 30 EHEARN COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1OC ZINC000004459471 210194433 /nfs/dbraw/zinc/19/44/33/210194433.db2.gz YCLBAPJEFDBZNN-LFIBNONCSA-N 0 0 340.404 3.595 50 30 EHEARN CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000004436090 210192354 /nfs/dbraw/zinc/19/23/54/210192354.db2.gz ZODSQSXVPJJHPD-AWEZNQCLSA-N 0 0 346.843 3.675 50 30 EHEARN CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000004436129 210191902 /nfs/dbraw/zinc/19/19/02/210191902.db2.gz MLYIPUOOOGXAST-MRXNPFEDSA-N 0 0 340.452 3.721 50 30 EHEARN N#Cc1c2nc3ccccc3n2c(NC[C@@H]2CCCO2)c2c1CCCC2 ZINC000004383832 210183356 /nfs/dbraw/zinc/18/33/56/210183356.db2.gz PQAOGYOHTUDXQB-AWEZNQCLSA-N 0 0 346.434 3.829 50 30 EHEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1ccc(F)cc1 ZINC000004339727 210176434 /nfs/dbraw/zinc/17/64/34/210176434.db2.gz ZMVQLRRUZYNRSH-WQRHYEAKSA-N 0 0 339.366 3.743 50 30 EHEARN C#CCSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 ZINC000004212899 210145667 /nfs/dbraw/zinc/14/56/67/210145667.db2.gz DORFQOZGZDGCKM-UHFFFAOYSA-N 0 0 335.432 3.977 50 30 EHEARN C=C(C)COc1cccc(-c2nc3c(sc(=S)n3C)c(=O)[nH]2)c1 ZINC000004171655 210138702 /nfs/dbraw/zinc/13/87/02/210138702.db2.gz JOGCDEHFMGLHNZ-UHFFFAOYSA-N 0 0 345.449 3.674 50 30 EHEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000004044283 210107549 /nfs/dbraw/zinc/10/75/49/210107549.db2.gz IHSVOQFHJGLGTF-LDADJPATSA-N 0 0 328.372 3.593 50 30 EHEARN COc1cc(/C=C/C(=O)c2cc(C)ccc2O)cc(OC)c1OC ZINC000004046880 210107719 /nfs/dbraw/zinc/10/77/19/210107719.db2.gz XNHZULULTMZKCX-SOFGYWHQSA-N 0 0 328.364 3.623 50 30 biogenic EHEARN O=c1[nH]c2ccc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2[nH]1 ZINC000004009824 210099597 /nfs/dbraw/zinc/09/95/97/210099597.db2.gz VKBUAOVPLWRIHM-VXLYETTFSA-N 0 0 348.318 3.775 50 30 EHEARN Cc1ccc(-c2csc(C3=C(N)N(C4CCCC4)CC3=O)n2)cc1 ZINC000003358765 210017534 /nfs/dbraw/zinc/01/75/34/210017534.db2.gz BOYJNUPTHLUCNY-UHFFFAOYSA-N 0 0 339.464 3.573 50 30 EHEARN N#C[C@H](NC(=O)c1ccoc1)c1ccc(OCc2ccccc2)cc1 ZINC000068343632 215301503 /nfs/dbraw/zinc/30/15/03/215301503.db2.gz WLZQURQICXVAHY-IBGZPJMESA-N 0 0 332.359 3.853 50 30 EHEARN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103504189 219308589 /nfs/dbraw/zinc/30/85/89/219308589.db2.gz CAUKEZHFXIIDNY-LBPRGKRZSA-N 0 0 333.174 3.955 50 30 EHEARN C=CCn1c(SCC(C)=O)nc2sc3c(c2c1=O)CCCCC3 ZINC000001465963 209753976 /nfs/dbraw/zinc/75/39/76/209753976.db2.gz UJMBQURGSZPYCV-UHFFFAOYSA-N 0 0 348.493 3.594 50 30 EHEARN COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(C#N)c1 ZINC000040001118 213249369 /nfs/dbraw/zinc/24/93/69/213249369.db2.gz AQYAGZVEEJSABN-UHFFFAOYSA-N 0 0 336.372 3.812 50 30 EHEARN CCCc1cc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)sc1C ZINC000038784774 213225819 /nfs/dbraw/zinc/22/58/19/213225819.db2.gz WZGHRFHHSLENPZ-UHFFFAOYSA-N 0 0 327.413 3.825 50 30 EHEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)C1 ZINC000035672228 213044704 /nfs/dbraw/zinc/04/47/04/213044704.db2.gz BFQCQTDLABZWML-VXGBXAGGSA-N 0 0 326.356 3.604 50 30 EHEARN N#Cc1ccc(NC(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000031662858 212742096 /nfs/dbraw/zinc/74/20/96/212742096.db2.gz KGLDDFUZPZDEJA-KBPBESRZSA-N 0 0 341.333 3.570 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 ZINC000072243372 216082180 /nfs/dbraw/zinc/08/21/80/216082180.db2.gz USZJTFQFOGXSOM-UHFFFAOYSA-N 0 0 330.269 3.706 50 30 EHEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)cc1 ZINC000000347189 209544975 /nfs/dbraw/zinc/54/49/75/209544975.db2.gz NNGGTKUYMGTFDA-UHFFFAOYSA-N 0 0 329.359 3.638 50 30 EHEARN N#Cc1c(-c2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=S ZINC000072332267 216155752 /nfs/dbraw/zinc/15/57/52/216155752.db2.gz DPYHFAHUEIQZNG-INIZCTEOSA-N 0 0 333.372 3.948 50 30 EHEARN N#Cc1c(Oc2cccnc2)ccc([N+](=O)[O-])c1Oc1cccnc1 ZINC000000139940 209444757 /nfs/dbraw/zinc/44/47/57/209444757.db2.gz WZQVWLXSZYRTAM-UHFFFAOYSA-N 0 0 334.291 3.841 50 30 EHEARN COc1ccccc1C1CCN(C(=O)Nc2ccccc2C#N)CC1 ZINC000000083297 209408098 /nfs/dbraw/zinc/40/80/98/209408098.db2.gz VRKXTWPDIQRAQV-UHFFFAOYSA-N 0 0 335.407 3.978 50 30 EHEARN CCOc1ccc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000000059214 209394232 /nfs/dbraw/zinc/39/42/32/209394232.db2.gz CASUUYMOVLJROT-LPYMAVHISA-N 0 0 344.370 3.869 50 30 EHEARN C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000022204663 212283016 /nfs/dbraw/zinc/28/30/16/212283016.db2.gz MPWVFTYGLDYHJM-STQMWFEESA-N 0 0 342.420 3.546 50 30 EHEARN CC[C@H](C(=O)N1CCC(Nc2cnccc2C#N)CC1)c1ccccc1 ZINC000225593041 241941122 /nfs/dbraw/zinc/94/11/22/241941122.db2.gz PNWRXJZNYVSLFQ-IBGZPJMESA-N 0 0 348.450 3.550 50 30 EHEARN N#Cc1ccc(SC[C@H]2CCN(C(=O)c3ccccc3)C2)c(F)c1 ZINC000252495788 243810715 /nfs/dbraw/zinc/81/07/15/243810715.db2.gz PAEILNXLGWPTAA-HNNXBMFYSA-N 0 0 340.423 3.952 50 30 EHEARN Fc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019773026 212064050 /nfs/dbraw/zinc/06/40/50/212064050.db2.gz PMIWCIFGHAZINJ-FYJGNVAPSA-N 0 0 331.822 3.631 50 30 EHEARN CCCSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000019708136 212056085 /nfs/dbraw/zinc/05/60/85/212056085.db2.gz JFKSONUOPGJIKZ-UHFFFAOYSA-N 0 0 331.485 3.907 50 30 EHEARN N#Cc1cc(C#N)c(SCC(=O)c2ccc3ccccc3c2)nc1N ZINC000018240949 211992819 /nfs/dbraw/zinc/99/28/19/211992819.db2.gz YWNRAWRKZQHYQA-UHFFFAOYSA-N 0 0 344.399 3.535 50 30 EHEARN O=S(=O)(N=C(Nc1ccc(F)cc1)C(F)(F)F)c1ccccc1 ZINC000015986220 211873997 /nfs/dbraw/zinc/87/39/97/211873997.db2.gz VIRBVXQSNMYALE-UHFFFAOYSA-N 0 0 346.305 3.587 50 30 EHEARN C=CCC(=O)N1CCC[C@](Cc2cccc(Cl)c2)(C(=O)OCC)C1 ZINC000015069250 211796696 /nfs/dbraw/zinc/79/66/96/211796696.db2.gz BZALPFZAEORDIG-LJQANCHMSA-N 0 0 349.858 3.631 50 30 EHEARN C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)cc1 ZINC000014011356 211670768 /nfs/dbraw/zinc/67/07/68/211670768.db2.gz PEYFSXVHHADOHS-QGOAFFKASA-N 0 0 348.427 3.899 50 30 EHEARN C[C@@H](c1ccco1)N(C(=O)NCc1ccc(C#N)cc1F)C1CC1 ZINC000086394250 217695192 /nfs/dbraw/zinc/69/51/92/217695192.db2.gz IGKQIRJSAWKWNX-LBPRGKRZSA-N 0 0 327.359 3.726 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000089858197 217863666 /nfs/dbraw/zinc/86/36/66/217863666.db2.gz RYSAAQAHUDBQJG-RBBKRZOGSA-N 0 0 345.446 3.618 50 30 EHEARN CCOC(=O)c1sc(/N=C/c2cccc(OC)c2O)c(C#N)c1C ZINC000012364048 211355852 /nfs/dbraw/zinc/35/58/52/211355852.db2.gz IMIXUTROLCFMRD-DJKKODMXSA-N 0 0 344.392 3.570 50 30 EHEARN C=CC[C@]1(CO)CCCN(Cc2nc(C)cc(-c3ccccc3)n2)C1 ZINC000091603130 218030461 /nfs/dbraw/zinc/03/04/61/218030461.db2.gz LRCFMRATMZGLFV-NRFANRHFSA-N 0 0 337.467 3.603 50 30 EHEARN N#Cc1ccccc1NC(=O)CN1CCC(CCc2ccccc2)CC1 ZINC000011154941 211205848 /nfs/dbraw/zinc/20/58/48/211205848.db2.gz HBFCHEVHPCEPDU-UHFFFAOYSA-N 0 0 347.462 3.842 50 30 EHEARN Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)oc1C ZINC000010489925 211175290 /nfs/dbraw/zinc/17/52/90/211175290.db2.gz DUBNDNGLCJTWPM-UHFFFAOYSA-N 0 0 347.465 3.834 50 30 EHEARN C=CCNc1nc(C(=O)OCc2ccc(F)cc2Cl)cs1 ZINC000010133040 211150167 /nfs/dbraw/zinc/15/01/67/211150167.db2.gz LWBFBJVFRKLZCW-UHFFFAOYSA-N 0 0 326.780 3.891 50 30 EHEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 ZINC000009513772 211095536 /nfs/dbraw/zinc/09/55/36/211095536.db2.gz OTMMILZFOWRSGN-UHFFFAOYSA-N 0 0 347.399 3.869 50 30 EHEARN N#Cc1ccc(C(=O)N(Cc2ccncc2)CC2CCCCC2)nc1 ZINC000095393269 218325102 /nfs/dbraw/zinc/32/51/02/218325102.db2.gz GRCHOSKORSHEHF-UHFFFAOYSA-N 0 0 334.423 3.571 50 30 EHEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccnc1 ZINC000008438745 210953736 /nfs/dbraw/zinc/95/37/36/210953736.db2.gz KHVGPPWAHBXMSQ-KRWDZBQOSA-N 0 0 330.428 3.727 50 30 EHEARN Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(Br)cs1 ZINC000006920994 210744165 /nfs/dbraw/zinc/74/41/65/210744165.db2.gz MGXWVRGEXMGSEV-SNAWJCMRSA-N 0 0 325.231 3.757 50 30 EHEARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C#N)n2CC)cc1 ZINC000006986225 210751326 /nfs/dbraw/zinc/75/13/26/210751326.db2.gz QMCNQVGZGGQQTQ-CYBMUJFWSA-N 0 0 329.473 3.815 50 30 EHEARN CCO[C@@H](C)c1nc(CSc2nc(C)nc(C)c2C#N)cs1 ZINC000096418326 218781252 /nfs/dbraw/zinc/78/12/52/218781252.db2.gz KYVGOLIFHHRERX-JTQLQIEISA-N 0 0 334.470 3.811 50 30 EHEARN Cc1nnc(SCc2csc(-c3ccoc3)n2)c(C#N)c1C ZINC000096500558 218876593 /nfs/dbraw/zinc/87/65/93/218876593.db2.gz WJFZLNBALHEFLW-UHFFFAOYSA-N 0 0 328.422 3.974 50 30 EHEARN CSc1nc2n(n1)[C@@H](c1sccc1C)C1C(=O)C[C@H](C)CC1=N2 ZINC000004998970 210355788 /nfs/dbraw/zinc/35/57/88/210355788.db2.gz NSNPHWHPWDWBRF-AMIZOPFISA-N 0 0 346.481 3.638 50 30 EHEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O ZINC000004943156 210335081 /nfs/dbraw/zinc/33/50/81/210335081.db2.gz YHRSXMWEZUBTRE-GOSISDBHSA-N 0 0 345.446 3.895 50 30 EHEARN CC(=O)C1=C(NC(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]2[C@H]1C2(C)C ZINC000004860537 210304348 /nfs/dbraw/zinc/30/43/48/210304348.db2.gz UWRWAQSLNVNXDR-IUODEOHRSA-N 0 0 337.341 3.954 50 30 EHEARN N#Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(F)c1 ZINC000004843080 210296015 /nfs/dbraw/zinc/29/60/15/210296015.db2.gz BQLMNIHODQYNLF-UHFFFAOYSA-N 0 0 331.350 3.935 50 30 EHEARN CC(=NN=c1cc(C)[nH]c(NCc2ccccc2)n1)c1ccncc1 ZINC000004837435 210293280 /nfs/dbraw/zinc/29/32/80/210293280.db2.gz ABOVYHGJUDMLPQ-BUVRLJJBSA-N 0 0 332.411 3.628 50 30 EHEARN Cc1cc([N+](=O)[O-])c(N=NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004828574 210291259 /nfs/dbraw/zinc/29/12/59/210291259.db2.gz SGOXVBYJUWZHHS-LZYBPNLTSA-N 0 0 334.719 3.911 50 30 EHEARN Cc1nnsc1C(=O)ON=C(c1cccs1)c1cccs1 ZINC000000134786 258047804 /nfs/dbraw/zinc/04/78/04/258047804.db2.gz QFDPLVDDPAVERX-UHFFFAOYSA-N 0 0 335.435 3.579 50 30 EHEARN O=C(NCc1ccc(OCc2cccc(F)c2)cc1)[C@H]1CCNC1=O ZINC000328600571 258041906 /nfs/dbraw/zinc/04/19/06/258041906.db2.gz YSHRSKVZGRBKFG-KRWDZBQOSA-N 0 0 342.370 3.838 50 30 EHEARN Cn1cncc1CCC(=O)Nc1n[nH]c(-c2cccc3ccccc32)n1 ZINC000330032271 258002159 /nfs/dbraw/zinc/00/21/59/258002159.db2.gz KOEBOIYJCZXDBV-UHFFFAOYSA-N 0 0 346.394 3.579 50 30 EHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000009476834 258002987 /nfs/dbraw/zinc/00/29/87/258002987.db2.gz XKOSJFJKWPHNDE-FHNWIRHTSA-N 0 0 338.359 3.633 50 30 EHEARN C=CCn1c(SCc2nnc(SC)o2)nnc1-c1ccccc1 ZINC000002581605 258046982 /nfs/dbraw/zinc/04/69/82/258046982.db2.gz ABZSJTURMUCSTP-UHFFFAOYSA-N 0 0 345.453 3.528 50 30 EHEARN C=CCN(C(=O)c1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2 ZINC000015968965 258017465 /nfs/dbraw/zinc/01/74/65/258017465.db2.gz NHYFAPBHIOTKIF-UHFFFAOYSA-N 0 0 343.408 3.763 50 30 EHEARN C=CCc1cc(OC)ccc1OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000008344260 258017959 /nfs/dbraw/zinc/01/79/59/258017959.db2.gz GIIRQGGHFIOKFJ-UHFFFAOYSA-N 0 0 337.419 3.930 50 30 EHEARN C=C(C)CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012027833 258018047 /nfs/dbraw/zinc/01/80/47/258018047.db2.gz LSTFBNMPEUOKJW-SFHVURJKSA-N 0 0 337.419 3.972 50 30 EHEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nnc1C1CC1 ZINC000009390059 258018202 /nfs/dbraw/zinc/01/82/02/258018202.db2.gz AQVXRKXGWIKURU-LLVKDONJSA-N 0 0 346.431 3.600 50 30 EHEARN C=CCc1cccc2cc(C(N)=O)/c(=N/c3ccc(OC)cc3)oc21 ZINC000011565643 258018301 /nfs/dbraw/zinc/01/83/01/258018301.db2.gz SNQHOQMRTAMNPJ-XDOYNYLZSA-N 0 0 334.375 3.501 50 30 EHEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000007350084 258053112 /nfs/dbraw/zinc/05/31/12/258053112.db2.gz GUTQYIWQGJTWNI-MDZDMXLPSA-N 0 0 336.347 3.618 50 30 EHEARN Cc1cc(C)nc(NC(=N)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000009302168 258053805 /nfs/dbraw/zinc/05/38/05/258053805.db2.gz UKDOXRKDPXWJRZ-UHFFFAOYSA-N 0 0 333.395 3.944 50 30 EHEARN OCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000017125659 258056648 /nfs/dbraw/zinc/05/66/48/258056648.db2.gz UAFACBBWDIKVJR-LICLKQGHSA-N 0 0 330.434 3.837 50 30 EHEARN N#Cc1cnc(NCc2ccc(N3CCCCC3)nc2)c(Cl)c1 ZINC000065531571 258062993 /nfs/dbraw/zinc/06/29/93/258062993.db2.gz VYUUDULXVZVAIO-UHFFFAOYSA-N 0 0 327.819 3.604 50 30 EHEARN CN(CCC#N)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000011922042 262521513 /nfs/dbraw/zinc/52/15/13/262521513.db2.gz VBAWWQAJJMHNQJ-UHFFFAOYSA-N 0 0 344.418 3.584 50 30 EHEARN C=CCN(C[C@H]1CC(c2ccccc2C)=NO1)C(=O)CC(C)(C)C ZINC000006873525 518775961 /nfs/dbraw/zinc/77/59/61/518775961.db2.gz LWDDVDQVOHEIQW-MRXNPFEDSA-N 0 0 328.456 3.939 50 30 EHEARN C=CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1C ZINC000055099893 518784935 /nfs/dbraw/zinc/78/49/35/518784935.db2.gz AGKQGKQPCDFLQK-UHFFFAOYSA-N 0 0 329.465 3.587 50 30 EHEARN C=CCc1ccc(OCC(=O)Nc2cccc3ncccc32)c(OC)c1 ZINC000015979790 519135582 /nfs/dbraw/zinc/13/55/82/519135582.db2.gz ACVQPXDKEDUEQF-UHFFFAOYSA-N 0 0 348.402 3.989 50 30 EHEARN C=CCn1c(C(=O)NCCc2ccccc2OC)cc2sccc21 ZINC000037525464 519165427 /nfs/dbraw/zinc/16/54/27/519165427.db2.gz VBLHZMHUTOIRLV-UHFFFAOYSA-N 0 0 340.448 3.870 50 30 EHEARN C=CCn1c(C)cc(C(=O)COC(=O)c2cc(Cl)ccc2N)c1C ZINC000005798324 519168782 /nfs/dbraw/zinc/16/87/82/519168782.db2.gz VTUOKSFEVICBQT-UHFFFAOYSA-N 0 0 346.814 3.566 50 30 EHEARN C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1cnccn1 ZINC000016755583 519196833 /nfs/dbraw/zinc/19/68/33/519196833.db2.gz CFQPCGQHWZDKSS-RMKNXTFCSA-N 0 0 335.436 3.727 50 30 EHEARN C=CCn1c(SCC(=O)c2ccccc2Cl)nnc1C1CC1 ZINC000003277375 519233956 /nfs/dbraw/zinc/23/39/56/519233956.db2.gz CDBNLERWCLOLIM-UHFFFAOYSA-N 0 0 333.844 3.970 50 30 EHEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccncc1 ZINC000005025656 519239992 /nfs/dbraw/zinc/23/99/92/519239992.db2.gz SPINLPWBGIIKIV-UHFFFAOYSA-N 0 0 326.400 3.958 50 30 EHEARN CC/C(=N\O)c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 ZINC000004598726 520180313 /nfs/dbraw/zinc/18/03/13/520180313.db2.gz CZKVADSTMAYPHY-CAPFRKAQSA-N 0 0 343.379 3.649 50 30 EHEARN Cc1cc(-c2ccccc2)nc(N=NCc2cccc([N+](=O)[O-])c2)n1 ZINC000005362372 526044482 /nfs/dbraw/zinc/04/44/82/526044482.db2.gz YMYGMFGWZIARMZ-XDHOZWIPSA-N 0 0 333.351 3.806 50 30 EHEARN O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc2c(c1)OCO2 ZINC000044013322 527650684 /nfs/dbraw/zinc/65/06/84/527650684.db2.gz YSIHFVKWCXEPDK-AATRIKPKSA-N 0 0 336.372 3.830 50 30 EHEARN C[C@H](OCC(F)(F)F)C(=O)Nc1ccccc1SCCC#N ZINC000095953435 538546566 /nfs/dbraw/zinc/54/65/66/538546566.db2.gz LNDRJBHCYGZPMG-JTQLQIEISA-N 0 0 332.347 3.598 50 30 EHEARN Cc1ccc(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000058232069 563940567 /nfs/dbraw/zinc/94/05/67/563940567.db2.gz ZCZJKWPKCZNSTL-INIZCTEOSA-N 0 0 343.224 3.681 50 30 EHEARN Cc1c(/N=C/c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000000100331 563225652 /nfs/dbraw/zinc/22/56/52/563225652.db2.gz GWHHRRLOMYJVFV-UDWIEESQSA-N 0 0 325.799 3.888 50 30 EHEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccc(OC)cc1 ZINC000000982320 563367096 /nfs/dbraw/zinc/36/70/96/563367096.db2.gz FVQVSZNUZRTPAW-OUKQBFOZSA-N 0 0 325.364 3.680 50 30 EHEARN C/N=C1/S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1C ZINC000001010736 563368281 /nfs/dbraw/zinc/36/82/81/563368281.db2.gz VQRHQACSFSCVHK-NNBJUWIKSA-N 0 0 334.347 3.757 50 30 EHEARN C=CCOc1cccc(/C=N/NC(=S)Nc2ccc(F)cc2)c1 ZINC000002506482 563434948 /nfs/dbraw/zinc/43/49/48/563434948.db2.gz GYHSAQYQPLDGDX-XDHOZWIPSA-N 0 0 329.400 3.711 50 30 EHEARN CCCCN(/C=C/C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002894548 563462358 /nfs/dbraw/zinc/46/23/58/563462358.db2.gz CJBYNKGKONXEBH-JQIJEIRASA-N 0 0 343.448 3.874 50 30 EHEARN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)[C@H](C#N)c1ccccn1 ZINC000071892405 563471134 /nfs/dbraw/zinc/47/11/34/563471134.db2.gz YPNDFZDFDGJNNM-DZGCQCFKSA-N 0 0 333.395 3.596 50 30 EHEARN CCCCC1N=NC(=S)N1N=Cc1ccc(OC(C)C)c(OC)c1 ZINC000006072961 563558662 /nfs/dbraw/zinc/55/86/62/563558662.db2.gz FPECOEPWZWBQPY-WOJGMQOQSA-N 0 0 348.472 3.587 50 30 EHEARN COc1ccc([C@H]2OC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006732658 563584221 /nfs/dbraw/zinc/58/42/21/563584221.db2.gz CSWBDKCUHLEPQF-QGZVFWFLSA-N 0 0 344.750 3.642 50 30 EHEARN CCCOc1ccccc1/C=C1/Oc2ccc(C(=O)OC)cc2C1=O ZINC000002704833 563603114 /nfs/dbraw/zinc/60/31/14/563603114.db2.gz NYMSPCLRNIKHSB-LDADJPATSA-N 0 0 338.359 3.878 50 30 EHEARN COc1ccc(OC)c(NC(=S)NCc2ccccc2OC)c1 ZINC000013497623 563699767 /nfs/dbraw/zinc/69/97/67/563699767.db2.gz WHBVNYILXMWQEP-UHFFFAOYSA-N 0 0 332.425 3.610 50 30 EHEARN CN(C(=O)CN1CCC[C@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000014138838 563744407 /nfs/dbraw/zinc/74/44/07/563744407.db2.gz AIGZAYQZFCERIA-HNNXBMFYSA-N 0 0 331.485 3.570 50 30 EHEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(OC)c1 ZINC000016440752 563811190 /nfs/dbraw/zinc/81/11/90/563811190.db2.gz AWCDHJZAAOJCTF-YBEGLDIGSA-N 0 0 340.404 3.595 50 30 EHEARN N#CCC[C@@H](C#N)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000024990181 563879453 /nfs/dbraw/zinc/87/94/53/563879453.db2.gz OUWAWEIYNQZYLO-HNNXBMFYSA-N 0 0 328.375 3.507 50 30 EHEARN C=CCO[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071803629 563922416 /nfs/dbraw/zinc/92/24/16/563922416.db2.gz DMMWVRGGFQXXCC-GHMZBOCLSA-N 0 0 348.374 3.856 50 30 EHEARN Cc1ccc2nc(C)c(C(=O)N(CCC#N)Cc3cccnc3)cc2c1 ZINC000058008569 563936585 /nfs/dbraw/zinc/93/65/85/563936585.db2.gz QYBIPTATAFANCI-UHFFFAOYSA-N 0 0 344.418 3.803 50 30 EHEARN Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)C=Cc1ccc(F)cc1 ZINC000058367859 563944002 /nfs/dbraw/zinc/94/40/02/563944002.db2.gz FHEZQIKKLKEPII-KQPPXVQYSA-N 0 0 346.365 3.511 50 30 EHEARN NC(COc1ccccc1)=NOCc1c(Cl)cccc1Cl ZINC000058427530 563946123 /nfs/dbraw/zinc/94/61/23/563946123.db2.gz IPFKMYGXMZJXFX-UHFFFAOYSA-N 0 0 325.195 3.861 50 30 EHEARN N#Cc1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)nc1 ZINC000096460726 563953986 /nfs/dbraw/zinc/95/39/86/563953986.db2.gz XSHIOAXEUBAEFB-UHFFFAOYSA-N 0 0 325.334 3.681 50 30 EHEARN Cc1nnc(-c2cccc(C(=O)OC[C@@H](C#N)Cc3ccccc3)c2)o1 ZINC000096473995 563954746 /nfs/dbraw/zinc/95/47/46/563954746.db2.gz VZGHZOUAUGFIFY-MRXNPFEDSA-N 0 0 347.374 3.584 50 30 EHEARN N#CC1(COC(=O)c2ccc(-c3ccccc3F)o2)CCOCC1 ZINC000097056631 563967119 /nfs/dbraw/zinc/96/71/19/563967119.db2.gz COAOLYTVFPVXPE-UHFFFAOYSA-N 0 0 329.327 3.563 50 30 EHEARN CC[C@H](CC#N)NC(=O)Nc1cnn(-c2cccc(Cl)c2)c1C ZINC000097163342 563968436 /nfs/dbraw/zinc/96/84/36/563968436.db2.gz OBKSZKOPWDHWMT-CYBMUJFWSA-N 0 0 331.807 3.648 50 30 EHEARN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)s2)cc1Cl ZINC000130266433 563974253 /nfs/dbraw/zinc/97/42/53/563974253.db2.gz HASQVALBQPGYAB-NSHDSACASA-N 0 0 348.811 3.680 50 30 EHEARN Cc1nc(N)sc1-c1cc(-c2c[nH]c3ccccc32)c(C#N)c(N)n1 ZINC000071752849 563982994 /nfs/dbraw/zinc/98/29/94/563982994.db2.gz LILNQTCCDRTZLV-UHFFFAOYSA-N 0 0 346.419 3.698 50 30 EHEARN N#Cc1c(N)nc(-c2cc(F)c(F)cc2F)cc1-c1cccnc1 ZINC000071761003 563983028 /nfs/dbraw/zinc/98/30/28/563983028.db2.gz NFQDZIRUYYTSIE-UHFFFAOYSA-N 0 0 326.281 3.682 50 30 EHEARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccnn3C)c2C#N)c1 ZINC000000372158 563991817 /nfs/dbraw/zinc/99/18/17/563991817.db2.gz UVZXGLOJLLGJPR-UHFFFAOYSA-N 0 0 336.420 3.889 50 30 EHEARN N#CCOc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005157035 563995148 /nfs/dbraw/zinc/99/51/48/563995148.db2.gz JTQRHZYXZCEZMI-SXGWCWSVSA-N 0 0 329.714 3.998 50 30 EHEARN C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1)OCC ZINC000270110351 563997731 /nfs/dbraw/zinc/99/77/31/563997731.db2.gz SJZQTASHAVWTDE-ZWKOTPCHSA-N 0 0 341.455 3.906 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccco1 ZINC000000428055 563998819 /nfs/dbraw/zinc/99/88/19/563998819.db2.gz XNXIPYJNNJMEHL-MAUKXSAKSA-N 0 0 328.339 3.738 50 30 EHEARN Cc1nc(SCC(=O)N[C@@H](C)c2cccs2)c(C#N)c(C)c1C ZINC000005172366 563999914 /nfs/dbraw/zinc/99/99/14/563999914.db2.gz IZODVTOBJUWXLG-ZDUSSCGKSA-N 0 0 345.493 3.910 50 30 EHEARN Cc1nc(SCC(=O)N2[C@H](C)CCC[C@H]2C)c(C#N)c(C)c1C ZINC000005172688 563999929 /nfs/dbraw/zinc/99/99/29/563999929.db2.gz NGDSILBJNKZPOY-VXGBXAGGSA-N 0 0 331.485 3.760 50 30 EHEARN C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N(C)CCC#N ZINC000079030895 564000958 /nfs/dbraw/zinc/00/09/58/564000958.db2.gz NCZLRMILYTUHER-HNNXBMFYSA-N 0 0 348.406 3.523 50 30 EHEARN Cc1nn(CC(=O)NCc2ccc3c(n2)CCCC3)c(C)c1Cl ZINC000329967232 564012893 /nfs/dbraw/zinc/01/28/93/564012893.db2.gz VJLLMAGZPAJLFY-UHFFFAOYSA-N 0 0 332.835 3.584 50 30 EHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccccc1 ZINC000100909826 564017044 /nfs/dbraw/zinc/01/70/44/564017044.db2.gz BFAUBWZRMMWRKG-ZPHPHTNESA-N 0 0 326.808 3.731 50 30 EHEARN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(F)c2)cc1 ZINC000101635367 564019483 /nfs/dbraw/zinc/01/94/83/564019483.db2.gz KBNAPLNJKRGEFY-SJCJKPOMSA-N 0 0 339.370 3.695 50 30 EHEARN N#Cc1ccc(OC[C@H](O)CSc2nc3ccccc3s2)cc1 ZINC000014071792 564021425 /nfs/dbraw/zinc/02/14/25/564021425.db2.gz HSKBLIFJKWITLY-ZDUSSCGKSA-N 0 0 342.445 3.700 50 30 EHEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccco1 ZINC000000537932 564022065 /nfs/dbraw/zinc/02/20/65/564022065.db2.gz XVKCNDXOTHNMFH-MFOYZWKCSA-N 0 0 333.299 3.510 50 30 EHEARN Cc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 ZINC000000536233 564022170 /nfs/dbraw/zinc/02/21/70/564022170.db2.gz MJWWNGVNVNXCJB-UHFFFAOYSA-N 0 0 344.418 3.848 50 30 EHEARN Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)c(Br)c1 ZINC000000580788 564024746 /nfs/dbraw/zinc/02/47/46/564024746.db2.gz BQWBLDPEXMNWBP-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN C[C@@H](c1ccccc1Cl)N(CC(=O)NC1(C#N)CCCC1)C1CC1 ZINC000047257497 564026017 /nfs/dbraw/zinc/02/60/17/564026017.db2.gz JZRUMTYKBRONON-AWEZNQCLSA-N 0 0 345.874 3.818 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)NCC1(c2ccccc2)CCC1 ZINC000045372153 564028416 /nfs/dbraw/zinc/02/84/16/564028416.db2.gz IRSFSZHWDRFQFA-UHFFFAOYSA-N 0 0 333.435 3.822 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2cc(Cl)cn2C)cc1 ZINC000108808105 564028474 /nfs/dbraw/zinc/02/84/74/564028474.db2.gz FQYYFGNAUVCUSD-UHFFFAOYSA-N 0 0 331.803 3.638 50 30 EHEARN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1OC ZINC000048340962 564031200 /nfs/dbraw/zinc/03/12/00/564031200.db2.gz CMXNILGTVUKWCE-UHFFFAOYSA-N 0 0 326.396 3.924 50 30 EHEARN N#CC1(c2ccccc2)CCN(Cc2noc(C3CCCC3)n2)CC1 ZINC000252494372 564053491 /nfs/dbraw/zinc/05/34/91/564053491.db2.gz NTZOXZAEEZGPHC-UHFFFAOYSA-N 0 0 336.439 3.785 50 30 EHEARN COc1cc(C(=O)C=CNc2cccc(C)c2)cc(OC)c1OC ZINC000210998566 564053638 /nfs/dbraw/zinc/05/36/38/564053638.db2.gz FWFCDDULHPYZMD-HJWRWDBZSA-N 0 0 327.380 3.829 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257345242 564055822 /nfs/dbraw/zinc/05/58/22/564055822.db2.gz MSGQPOBWYUXEOQ-LDXTZLFUSA-N 0 0 332.484 3.727 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257357784 564055963 /nfs/dbraw/zinc/05/59/63/564055963.db2.gz PWCLWZOSAFOXFL-MMKZJUERSA-N 0 0 330.468 3.694 50 30 EHEARN C[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc2c(c1)OCCO2 ZINC000082110889 564056251 /nfs/dbraw/zinc/05/62/51/564056251.db2.gz ANMGUGPUGSOAKS-ZDUSSCGKSA-N 0 0 344.386 3.705 50 30 EHEARN N#CCc1cc(Br)cc(OC(F)F)c1Br ZINC000263623335 564056472 /nfs/dbraw/zinc/05/64/72/564056472.db2.gz GPXVYRGONTVZGV-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN N#Cc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000001426584 564066303 /nfs/dbraw/zinc/06/63/03/564066303.db2.gz LTPGWSJYRILWCT-UHFFFAOYSA-N 0 0 342.358 3.978 50 30 EHEARN COc1ccc2c(c1)CC/C2=N\OC(=O)c1cc(Cl)ccc1OC ZINC000015745784 564073063 /nfs/dbraw/zinc/07/30/63/564073063.db2.gz HKNPTCHPCCZYGQ-CAPFRKAQSA-N 0 0 345.782 3.865 50 30 EHEARN C=C(C)COc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000012379175 564073212 /nfs/dbraw/zinc/07/32/12/564073212.db2.gz LTAQZHUZTOLWGB-UHFFFAOYSA-N 0 0 349.390 3.622 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCc2ccccc21 ZINC000012923325 564078447 /nfs/dbraw/zinc/07/84/47/564078447.db2.gz ZFZDYOGDVSHKMG-KRWDZBQOSA-N 0 0 331.375 3.668 50 30 EHEARN CN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000075105042 564080043 /nfs/dbraw/zinc/08/00/43/564080043.db2.gz HHRDDOJMFRVKGX-UHFFFAOYSA-N 0 0 344.802 3.691 50 30 EHEARN COc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c(OC)c1OC ZINC000007586611 564082126 /nfs/dbraw/zinc/08/21/26/564082126.db2.gz YKRABUNHEWYHQK-XYOKQWHBSA-N 0 0 341.407 3.675 50 30 EHEARN C/N=C1/S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1C ZINC000006303649 564083799 /nfs/dbraw/zinc/08/37/99/564083799.db2.gz ICNBFWCJIPQMLD-WVTXTPTHSA-N 0 0 331.828 3.663 50 30 EHEARN C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc3nccn32)c1 ZINC000089261892 564084663 /nfs/dbraw/zinc/08/46/63/564084663.db2.gz JLXJVGMRIOVGSI-UHFFFAOYSA-N 0 0 341.370 3.756 50 30 EHEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(F)F ZINC000006339076 564085242 /nfs/dbraw/zinc/08/52/42/564085242.db2.gz PQASWBYRPMAZFU-UHFFFAOYSA-N 0 0 330.286 3.759 50 30 EHEARN N#Cc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 ZINC000013007000 564086419 /nfs/dbraw/zinc/08/64/19/564086419.db2.gz OSUDJFQNUAPTGA-UHFFFAOYSA-N 0 0 328.755 3.625 50 30 EHEARN CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1C#N ZINC000026760595 564088820 /nfs/dbraw/zinc/08/88/20/564088820.db2.gz ZACHVANDRPCFDR-UHFFFAOYSA-N 0 0 338.791 3.566 50 30 EHEARN C=CCn1c(SCC#N)nnc1-c1ccc(Br)cc1 ZINC000006595641 564092550 /nfs/dbraw/zinc/09/25/50/564092550.db2.gz VVYMDPBNODBCNG-UHFFFAOYSA-N 0 0 335.230 3.509 50 30 EHEARN Cc1cc(OC(=O)c2ccco2)cc2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000006662193 564095588 /nfs/dbraw/zinc/09/55/88/564095588.db2.gz NUDZJNAOOHHEGY-MFOYZWKCSA-N 0 0 347.326 3.818 50 30 EHEARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000007003048 564103020 /nfs/dbraw/zinc/10/30/20/564103020.db2.gz GSIBKHHJJOQXGZ-MRXNPFEDSA-N 0 0 348.450 3.988 50 30 EHEARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)CNc2ccc(OCC)cc2)C1 ZINC000013138379 564103646 /nfs/dbraw/zinc/10/36/46/564103646.db2.gz XDWWVBAOSPJCAM-MRXNPFEDSA-N 0 0 341.455 3.902 50 30 aggregator EHEARN N#Cc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1Cl ZINC000065487935 564106345 /nfs/dbraw/zinc/10/63/45/564106345.db2.gz ZIGZQIBXRRHKEF-UHFFFAOYSA-N 0 0 326.787 3.803 50 30 EHEARN C[C@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccccc2)CC1 ZINC000007417865 564108176 /nfs/dbraw/zinc/10/81/76/564108176.db2.gz FBROXIKNQDEZRS-MRXNPFEDSA-N 0 0 331.419 3.675 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000007543509 564110251 /nfs/dbraw/zinc/11/02/51/564110251.db2.gz CLSFTYPTMHAHKN-QGZVFWFLSA-N 0 0 343.430 3.752 50 30 EHEARN C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000071825487 564111341 /nfs/dbraw/zinc/11/13/41/564111341.db2.gz RWBBUHIDWRRNHS-UZLBHIALSA-N 0 0 349.434 3.864 50 30 EHEARN N#Cc1ccsc1NC(=O)c1cccc(OCc2cscn2)c1 ZINC000016707208 564112711 /nfs/dbraw/zinc/11/27/11/564112711.db2.gz LDZRPJOOBJOEKL-UHFFFAOYSA-N 0 0 341.417 3.908 50 30 EHEARN N#Cc1ccc(NCC(=O)Nc2ccccc2NCC(F)(F)F)cc1 ZINC000089814351 564114023 /nfs/dbraw/zinc/11/40/23/564114023.db2.gz AEXPKSDYDQOJDH-UHFFFAOYSA-N 0 0 348.328 3.583 50 30 EHEARN C[C@H](NC(=O)N(C[C@@H](O)c1ccccc1)C1CC1)c1ccc(C#N)cc1 ZINC000089904744 564115029 /nfs/dbraw/zinc/11/50/29/564115029.db2.gz XPLOUTRXXSMSFZ-MGPUTAFESA-N 0 0 349.434 3.527 50 30 EHEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)cc1 ZINC000252429529 564118388 /nfs/dbraw/zinc/11/83/88/564118388.db2.gz ZYOOZLMFCLBLJW-UHFFFAOYSA-N 0 0 338.436 3.823 50 30 EHEARN C=CCOC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000002145729 564119484 /nfs/dbraw/zinc/11/94/84/564119484.db2.gz JXCCRYJOMBETIQ-UHFFFAOYSA-N 0 0 336.343 3.568 50 30 biogenic EHEARN C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCOC[C@@H]2C)c1 ZINC000194284533 564120481 /nfs/dbraw/zinc/12/04/81/564120481.db2.gz YOQGUGZJMBXYCS-KXBFYZLASA-N 0 0 339.460 3.935 50 30 EHEARN O=c1oc2cc(OCC(=NO)c3ccccc3)ccc2c2c1CCC2 ZINC000252625060 564123209 /nfs/dbraw/zinc/12/32/09/564123209.db2.gz QBYHAILCIMYBMT-UHFFFAOYSA-N 0 0 335.359 3.539 50 30 EHEARN N#Cc1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)c(Cl)c1 ZINC000007857443 564124263 /nfs/dbraw/zinc/12/42/63/564124263.db2.gz LPXJRSKGPSFBGK-KRWDZBQOSA-N 0 0 326.783 3.610 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000000113627 564132854 /nfs/dbraw/zinc/13/28/54/564132854.db2.gz XUXWXNUYPNDPGI-SNVBAGLBSA-N 0 0 341.392 3.905 50 30 EHEARN CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2C)c(C#N)c1C ZINC000000557945 564133451 /nfs/dbraw/zinc/13/34/51/564133451.db2.gz DQBPOJLYLFZGPU-UHFFFAOYSA-N 0 0 342.420 3.974 50 30 EHEARN CCOC(=O)c1sc(=S)n(C)c1NC(=O)c1ccc(F)cc1 ZINC000002357190 564133593 /nfs/dbraw/zinc/13/35/93/564133593.db2.gz JYQKWCSOWCLYTR-UHFFFAOYSA-N 0 0 340.401 3.768 50 30 EHEARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000113528716 564134265 /nfs/dbraw/zinc/13/42/65/564134265.db2.gz GFMCZNHJAXVQHO-UHFFFAOYSA-N 0 0 328.759 3.814 50 30 EHEARN Cc1cc(C(F)(F)F)nn1CCn1ccnc1-c1cccc(C#N)c1 ZINC000077489399 564134282 /nfs/dbraw/zinc/13/42/82/564134282.db2.gz HHHIFRSCKJYUSK-UHFFFAOYSA-N 0 0 345.328 3.646 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@H](COc3ccccc3F)C2)cc1 ZINC000077517669 564134317 /nfs/dbraw/zinc/13/43/17/564134317.db2.gz WNBVHBGMYAWHRX-INIZCTEOSA-N 0 0 338.382 3.629 50 30 EHEARN N#Cc1ccc(CC(=O)c2ccc(I)cc2)cc1 ZINC000002393055 564134467 /nfs/dbraw/zinc/13/44/67/564134467.db2.gz FCMOEXPCHJZSIG-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN N#Cc1cccc(N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)n1 ZINC000067847776 564134945 /nfs/dbraw/zinc/13/49/45/564134945.db2.gz JRIJAXXJACEBKX-UHFFFAOYSA-N 0 0 347.397 3.866 50 30 EHEARN Cc1cccc(OCc2nc(C#N)c(N3C[C@H](C)C[C@H](C)C3)o2)c1 ZINC000013144097 564136071 /nfs/dbraw/zinc/13/60/71/564136071.db2.gz LKFDEPSBDNIXSM-GASCZTMLSA-N 0 0 325.412 3.916 50 30 EHEARN COCc1cc(C)nc(SCc2ccccc2[N+](=O)[O-])c1C#N ZINC000013281414 564136163 /nfs/dbraw/zinc/13/61/63/564136163.db2.gz ZKSNSFVXKMLCBN-UHFFFAOYSA-N 0 0 329.381 3.609 50 30 EHEARN N#C[C@H](C(=O)CCc1cc(Br)cs1)c1ccccn1 ZINC000078657787 564136480 /nfs/dbraw/zinc/13/64/80/564136480.db2.gz MAKHZUVGSPYRRE-LBPRGKRZSA-N 0 0 335.226 3.715 50 30 EHEARN Cc1noc(C)c1C(C)(C)C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000328587550 564136572 /nfs/dbraw/zinc/13/65/72/564136572.db2.gz AOVUKSRXYATMBP-CQSZACIVSA-N 0 0 330.384 3.673 50 30 EHEARN COc1cccc(C=NOCCOc2cccc(Cl)c2)c1OC ZINC000254443720 564138384 /nfs/dbraw/zinc/13/83/84/564138384.db2.gz ARVOYNYZEPDEIS-UHFFFAOYSA-N 0 0 335.787 3.787 50 30 EHEARN COc1ccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)o2)cc1OC ZINC000278669653 564138507 /nfs/dbraw/zinc/13/85/07/564138507.db2.gz XPYUWBSLJYJHBX-JQWIXIFHSA-N 0 0 331.397 3.538 50 30 EHEARN CC1CCN(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000095468064 564141162 /nfs/dbraw/zinc/14/11/62/564141162.db2.gz DKQVQFHBHPEXKU-UHFFFAOYSA-N 0 0 342.386 3.928 50 30 EHEARN Cc1nccn1CCNc1cccc(OCc2cccc(C#N)c2)c1 ZINC000095468705 564141217 /nfs/dbraw/zinc/14/12/17/564141217.db2.gz WAZSPRMERSCICU-UHFFFAOYSA-N 0 0 332.407 3.754 50 30 EHEARN Cn1cc(C=C2SC(=O)N=C2Nc2ccc(F)c(Cl)c2)cn1 ZINC000095479310 564141529 /nfs/dbraw/zinc/14/15/29/564141529.db2.gz PRJXDUGIVCRXTG-UUILKARUSA-N 0 0 336.779 3.945 50 30 EHEARN Cc1cc(NC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)on1 ZINC000095997467 564144340 /nfs/dbraw/zinc/14/43/40/564144340.db2.gz UJZSDTFJJCKIDB-UHFFFAOYSA-N 0 0 341.314 3.604 50 30 EHEARN N#CC1CCC(CNC(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000282049292 564145985 /nfs/dbraw/zinc/14/59/85/564145985.db2.gz BPALMPFHEMRNPW-UHFFFAOYSA-N 0 0 341.333 3.879 50 30 EHEARN COc1cccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000096265927 564146228 /nfs/dbraw/zinc/14/62/28/564146228.db2.gz VVTQBXJFNHMPSW-YHYXMXQVSA-N 0 0 337.419 3.552 50 30 EHEARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C#N)ccc2NC)cc1 ZINC000225553958 564149681 /nfs/dbraw/zinc/14/96/81/564149681.db2.gz GEELMCOZJAMTMB-ZDUSSCGKSA-N 0 0 343.452 3.914 50 30 EHEARN C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccccc1C#N ZINC000028042706 564150172 /nfs/dbraw/zinc/15/01/72/564150172.db2.gz FJZOSRIFCXJOOG-GFCCVEGCSA-N 0 0 334.828 3.593 50 30 EHEARN CC(C)Oc1c(Br)cc(Br)cc1/C=N/O ZINC000002748132 564152423 /nfs/dbraw/zinc/15/24/23/564152423.db2.gz LJDTVLCKFBRCOC-WLRTZDKTSA-N 0 0 337.011 3.807 50 30 EHEARN Cc1cc(C)c(C#N)c(SCc2nnc(Cc3ccccc3)o2)n1 ZINC000058343179 564158768 /nfs/dbraw/zinc/15/87/68/564158768.db2.gz CDQZWPJISVYBHP-UHFFFAOYSA-N 0 0 336.420 3.836 50 30 EHEARN N#Cc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000008315606 564164232 /nfs/dbraw/zinc/16/42/32/564164232.db2.gz COERCTKNJFZZRY-UHFFFAOYSA-N 0 0 348.402 3.872 50 30 EHEARN C=CCOc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000009721584 564174518 /nfs/dbraw/zinc/17/45/18/564174518.db2.gz LULVYXKMUYQMFJ-UHFFFAOYSA-N 0 0 334.419 3.934 50 30 EHEARN Cc1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)c1 ZINC000005238211 1033753129 /nfs/dbraw/zinc/75/31/29/1033753129.db2.gz OKTSDFDCEJTKKB-UHFFFAOYSA-N 0 0 333.416 3.909 50 30 EHEARN COc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1 ZINC000013139283 1034793870 /nfs/dbraw/zinc/79/38/70/1034793870.db2.gz MUFYHTGUVQFKAV-VHEBQXMUSA-N 0 0 325.437 3.634 50 30 EHEARN COc1ccc(/C=C2\COc3c(C)cccc3C2=O)c(OC)c1OC ZINC000066407985 1035449020 /nfs/dbraw/zinc/44/90/20/1035449020.db2.gz BPLJPMRRQWZFJT-GXDHUFHOSA-N 0 0 340.375 3.680 50 30 EHEARN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1OCCc2ccccc21 ZINC000333412020 1041726047 /nfs/dbraw/zinc/72/60/47/1041726047.db2.gz DIFALOMMRLJXFI-QHAWAJNXSA-N 0 0 346.430 3.599 50 30 EHEARN COc1ccccc1C(N)=NOCc1csc(C2CCCC2)n1 ZINC000063887036 1127446796 /nfs/dbraw/zinc/44/67/96/1127446796.db2.gz SMNYJFKIPKKPCX-UHFFFAOYSA-N 0 0 331.441 3.646 50 30 EHEARN C=CCOc1cccc(C(=O)NCCc2nc3c(ccc(C)c3C)[nH]2)c1 ZINC000820494501 1130874913 /nfs/dbraw/zinc/87/49/13/1130874913.db2.gz IVOCBUKKZRQXFL-UHFFFAOYSA-N 0 0 349.434 3.717 50 30 EHEARN C=CCC1(NC(=O)c2ccc(-c3csc(C)n3)cc2)CCOCC1 ZINC000585113670 1137003248 /nfs/dbraw/zinc/00/32/48/1137003248.db2.gz IASHGJASTIAOLH-UHFFFAOYSA-N 0 0 342.464 3.974 50 30 EHEARN C#CCCC1(CCC(=O)NCC2(c3ccc(F)cc3Cl)CC2)N=N1 ZINC000952879899 1137483257 /nfs/dbraw/zinc/48/32/57/1137483257.db2.gz HSFXGOMZQLFNSF-UHFFFAOYSA-N 0 0 347.821 3.983 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)N=N1 ZINC000952882291 1137483399 /nfs/dbraw/zinc/48/33/99/1137483399.db2.gz UEBVEQSUOOHXBQ-SCLBCKFNSA-N 0 0 327.403 3.921 50 30 EHEARN C[C@@H](Nc1snc(Cl)c1C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000052360327 214127248 /nfs/dbraw/zinc/12/72/48/214127248.db2.gz DFXOYUUNHTZWML-MRVPVSSYSA-N 0 0 332.816 3.726 50 30 EHEARN C=CCOc1ccc(CN(C)[C@H](C)c2ccncn2)c(OCC=C)c1 ZINC000055119183 214276738 /nfs/dbraw/zinc/27/67/38/214276738.db2.gz KFAXYEXTZNRAGJ-MRXNPFEDSA-N 0 0 339.439 3.799 50 30 EHEARN C=CCNc1ccccc1C(=O)N(C)Cc1nc2cc(C)ccc2[nH]1 ZINC000055326052 214308072 /nfs/dbraw/zinc/30/80/72/214308072.db2.gz MWLVLTOBKYGUGZ-UHFFFAOYSA-N 0 0 334.423 3.741 50 30 EHEARN C=C(C)COc1ccccc1C(=O)N(C)Cc1cccnc1Cl ZINC000055284044 214301358 /nfs/dbraw/zinc/30/13/58/214301358.db2.gz FNUGHFQSMZWVLK-UHFFFAOYSA-N 0 0 330.815 3.962 50 30 EHEARN Cc1ccc(C(N)=NO[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000055396720 214318994 /nfs/dbraw/zinc/31/89/94/214318994.db2.gz GBSNUUMVWKRWHT-INIZCTEOSA-N 0 0 339.439 3.584 50 30 EHEARN CC(=O)N(C)c1nc(/C=C/C(=O)c2c[nH]c3cc(F)ccc32)cs1 ZINC000058250444 214517732 /nfs/dbraw/zinc/51/77/32/214517732.db2.gz GQCNMKRDSMOUSP-GQCTYLIASA-N 0 0 343.383 3.642 50 30 EHEARN Cc1ccc(-n2nnnc2C=CNc2cc(Cl)ccc2C#N)cc1 ZINC000100138146 219092219 /nfs/dbraw/zinc/09/22/19/219092219.db2.gz SPDURXYGEBLPPE-HJWRWDBZSA-N 0 0 336.786 3.579 50 30 EHEARN CN(C)c1ccc([C@@H]2CC(=O)C=C(NCc3cccs3)C2)cc1 ZINC000100379268 219097845 /nfs/dbraw/zinc/09/78/45/219097845.db2.gz IPACRZVKPHKGTH-HNNXBMFYSA-N 0 0 326.465 3.934 50 30 EHEARN O=[N+]([O-])c1ccc(/C(=N/O)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100467592 219099695 /nfs/dbraw/zinc/09/96/95/219099695.db2.gz YQDJVBALVXPSBY-ODLFYWEKSA-N 0 0 345.664 3.889 50 30 EHEARN COc1cc(/C=C2/S/C(=N/c3cccc(C)c3)NC2=O)ccc1O ZINC000004473663 210196161 /nfs/dbraw/zinc/19/61/61/210196161.db2.gz JDPRRJISUOKZKQ-MHWRWJLKSA-N 0 0 340.404 3.601 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000100737508 219104748 /nfs/dbraw/zinc/10/47/48/219104748.db2.gz WJDUCWWSKQGQHE-RCCFBDPRSA-N 0 0 329.440 3.753 50 30 EHEARN CCCCCCCCCCCCCCCC(=O)NC(CO)CO ZINC000064858301 214810870 /nfs/dbraw/zinc/81/08/70/214810870.db2.gz MZUNFYMZKTWADX-UHFFFAOYSA-N 0 0 329.525 3.937 50 30 endogenous,in-man EHEARN CC(C)NC(=NC(=O)Nc1ccccc1C(F)(F)F)NC(C)C ZINC000004207785 210144741 /nfs/dbraw/zinc/14/47/41/210144741.db2.gz MPDIXRVKIBAVTP-UHFFFAOYSA-N 0 0 330.354 3.589 50 30 EHEARN CC(C)Cc1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)on1 ZINC000065468484 214922568 /nfs/dbraw/zinc/92/25/68/214922568.db2.gz FFOCXKXGNFRPER-UHFFFAOYSA-N 0 0 337.423 3.571 50 30 EHEARN C=CCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000065553498 214958936 /nfs/dbraw/zinc/95/89/36/214958936.db2.gz HKXVEPLLRXKROX-UHFFFAOYSA-N 0 0 347.418 3.542 50 30 EHEARN CN(C)c1ccc(/C=C2\Sc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000004119135 210124681 /nfs/dbraw/zinc/12/46/81/210124681.db2.gz KUEPMCMGFZVBFC-YBEGLDIGSA-N 0 0 326.377 3.990 50 30 EHEARN CCCCCc1nc2c(C#N)c(-c3ccc4c(c3)OCO4)ccn2n1 ZINC000004050937 210109514 /nfs/dbraw/zinc/10/95/14/210109514.db2.gz ISKGFACRZUYOKR-UHFFFAOYSA-N 0 0 334.379 3.729 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000004033366 210104458 /nfs/dbraw/zinc/10/44/58/210104458.db2.gz RRFSBVGYVVIBAB-KRWDZBQOSA-N 0 0 343.430 3.807 50 30 EHEARN COc1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)OCCCCO3)c1 ZINC000004026046 210103085 /nfs/dbraw/zinc/10/30/85/210103085.db2.gz LXXDIPHPVPIWNV-QPJJXVBHSA-N 0 0 340.375 3.848 50 30 biogenic EHEARN CCOCCCNc1c2c(c(C#N)c3nc4ccccc4n31)CCC2 ZINC000004033995 210105053 /nfs/dbraw/zinc/10/50/53/210105053.db2.gz KQMWRLUPFZJGPG-UHFFFAOYSA-N 0 0 334.423 3.686 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000004033403 210104876 /nfs/dbraw/zinc/10/48/76/210104876.db2.gz YFTRNWVXUVKZMC-QGZVFWFLSA-N 0 0 343.430 3.807 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000004033287 210104905 /nfs/dbraw/zinc/10/49/05/210104905.db2.gz VYQQEUUUBIGUHW-QGZVFWFLSA-N 0 0 343.430 3.752 50 30 EHEARN N#C[C@H](NC(=O)/C=C/c1ccncc1)c1cccc(Cl)c1Cl ZINC000066394285 215038483 /nfs/dbraw/zinc/03/84/83/215038483.db2.gz IXRSPHPUYNZTAX-NNTXTVRGSA-N 0 0 332.190 3.783 50 30 EHEARN COCCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000066965983 215098560 /nfs/dbraw/zinc/09/85/60/215098560.db2.gz CRSYLNLAQSGXEA-UHFFFAOYSA-N 0 0 339.395 3.851 50 30 EHEARN O=[N+]([O-])c1ccc(N=NC2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000043762029 213596998 /nfs/dbraw/zinc/59/69/98/213596998.db2.gz JVOZWVFVPPEZKP-NBVRZTHBSA-N 0 0 340.339 3.850 50 30 EHEARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C#N)n1 ZINC000003297711 210000653 /nfs/dbraw/zinc/00/06/53/210000653.db2.gz LZUHYDHRQUIOLY-VIFPVBQESA-N 0 0 349.393 3.580 50 30 EHEARN Cc1ccc(S(=O)(=O)NN=C2C=CC3(C=C2)CCCCC3)cc1 ZINC000003132396 209968513 /nfs/dbraw/zinc/96/85/13/209968513.db2.gz SWPYCSLXPKVDPJ-UHFFFAOYSA-N 0 0 330.453 3.706 50 30 EHEARN Cn1cc(-c2cc(-c3ccc4ccccc4c3)nc(N)c2C#N)cn1 ZINC000067726007 215195675 /nfs/dbraw/zinc/19/56/75/215195675.db2.gz ANYRLYQUYCKMDI-UHFFFAOYSA-N 0 0 325.375 3.756 50 30 EHEARN N#Cc1c(N)nc(-c2ccccn2)cc1-c1cccn1-c1nccs1 ZINC000067788261 215211548 /nfs/dbraw/zinc/21/15/48/215211548.db2.gz CPWJMFIIGJGXCR-UHFFFAOYSA-N 0 0 344.403 3.512 50 30 EHEARN CCn1cc(-c2cc(-c3sc(C)nc3C)nc(N)c2C#N)cc1C#N ZINC000067851287 215231730 /nfs/dbraw/zinc/23/17/30/215231730.db2.gz BIIDPHQHMURIJQ-UHFFFAOYSA-N 0 0 348.435 3.636 50 30 EHEARN N#Cc1c(N)nc(-c2ccco2)cc1-c1ccccc1Cn1cccn1 ZINC000067921924 215251779 /nfs/dbraw/zinc/25/17/79/215251779.db2.gz CFQJUTKHNQMAQW-UHFFFAOYSA-N 0 0 341.374 3.707 50 30 EHEARN N#Cc1cccc(OC(=O)/C=C/c2c(Cl)nc3sccn23)c1 ZINC000068235806 215292882 /nfs/dbraw/zinc/29/28/82/215292882.db2.gz DQYOAKGFEWIPGF-SNAWJCMRSA-N 0 0 329.768 3.540 50 30 EHEARN N#Cc1ccc(CC(=O)c2cccc(I)c2)cc1 ZINC000002393053 209847313 /nfs/dbraw/zinc/84/73/13/209847313.db2.gz WHIRGKMPNXIDIS-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN C#Cc1cccc(N(Cc2ccncc2)C(=O)[C@H]2C[C@@H]2c2ccco2)c1 ZINC000069321535 215376531 /nfs/dbraw/zinc/37/65/31/215376531.db2.gz UPYYZLJOEDCADI-PMACEKPBSA-N 0 0 342.398 3.993 50 30 EHEARN C=CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)nc2onc(C)c21 ZINC000069350134 215384871 /nfs/dbraw/zinc/38/48/71/215384871.db2.gz XRRXHXLKBOCTDF-UHFFFAOYSA-N 0 0 346.390 3.540 50 30 EHEARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 ZINC000069381329 215394653 /nfs/dbraw/zinc/39/46/53/215394653.db2.gz UOOWYAVNPZUVRJ-LJQANCHMSA-N 0 0 344.418 3.905 50 30 EHEARN Cc1ccc(S(=O)(=O)NN=C2c3ccccc3-c3ccccc32)cc1 ZINC000001719482 209787007 /nfs/dbraw/zinc/78/70/07/209787007.db2.gz BUXGLBWCEHJPCQ-UHFFFAOYSA-N 0 0 348.427 3.706 50 30 EHEARN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC2)cc1 ZINC000069534942 215465652 /nfs/dbraw/zinc/46/56/52/215465652.db2.gz RXGZUWORWKDQNY-UHFFFAOYSA-N 0 0 337.379 3.987 50 30 EHEARN Cc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2cc(C)cc(C)c2)n1 ZINC000039976702 213247987 /nfs/dbraw/zinc/24/79/87/213247987.db2.gz KWNSNDRQVXMEIL-UHFFFAOYSA-N 0 0 330.391 3.922 50 30 EHEARN C=CCN1c2ccccc2S/C(=C/C(=O)NC(CC)CC)C1=O ZINC000037291447 213138954 /nfs/dbraw/zinc/13/89/54/213138954.db2.gz PGSLRVYTRBSMFE-FOWTUZBSSA-N 0 0 330.453 3.500 50 30 EHEARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)no1 ZINC000032996326 212886181 /nfs/dbraw/zinc/88/61/81/212886181.db2.gz SDNRGSRIZWJEBN-UHFFFAOYSA-N 0 0 333.351 3.815 50 30 EHEARN C[C@@H](Nc1ncccc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000071905250 215948362 /nfs/dbraw/zinc/94/83/62/215948362.db2.gz IPNBJDLEWALHNM-CQSZACIVSA-N 0 0 343.390 3.774 50 30 EHEARN COc1ccccc1OCc1nc(C#N)c(N2CCCCCC2)o1 ZINC000032675203 212825158 /nfs/dbraw/zinc/82/51/58/212825158.db2.gz CNHUFHVHCCGJJG-UHFFFAOYSA-N 0 0 327.384 3.514 50 30 EHEARN C=CCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)c1 ZINC000072115437 216011370 /nfs/dbraw/zinc/01/13/70/216011370.db2.gz VTZHNVOCTQYRGA-HNNXBMFYSA-N 0 0 325.412 3.677 50 30 EHEARN COC(=O)CSCc1ccc(-c2snc(Cl)c2C#N)cc1 ZINC000000161510 209459156 /nfs/dbraw/zinc/45/91/56/209459156.db2.gz VDEAIMSMODRTAK-UHFFFAOYSA-N 0 0 338.841 3.741 50 30 EHEARN Cc1ccc([C@@H]2Cc3c(C#N)sc([S@](C)=O)c3C(=O)C2)cc1 ZINC000000125765 209437468 /nfs/dbraw/zinc/43/74/68/209437468.db2.gz HHIOQMNISFTYFQ-VERVWZFWSA-N 0 0 329.446 3.578 50 30 EHEARN COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000000052013 209391288 /nfs/dbraw/zinc/39/12/88/209391288.db2.gz DFGVNJFUJZBLHX-UHFFFAOYSA-N 0 0 326.421 3.688 50 30 EHEARN CC(C)(C)NC(=O)CSc1nc(-c2cccs2)ccc1C#N ZINC000000050138 209390975 /nfs/dbraw/zinc/39/09/75/209390975.db2.gz AQLNHJZOMGGWSI-UHFFFAOYSA-N 0 0 331.466 3.689 50 30 EHEARN C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000022608039 212310095 /nfs/dbraw/zinc/31/00/95/212310095.db2.gz WIPWTIYHQPDTJC-GLEZIHRCSA-N 0 0 349.221 3.853 50 30 EHEARN CNc1nc(Nc2ccc(OC)cc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020589851 212150222 /nfs/dbraw/zinc/15/02/22/212150222.db2.gz JMJBDLYCRCJZRO-UHFFFAOYSA-N 0 0 338.411 3.598 50 30 EHEARN N#Cc1nc(-c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 ZINC000019898767 212080932 /nfs/dbraw/zinc/08/09/32/212080932.db2.gz DYKJRLKDIYLIFX-UHFFFAOYSA-N 0 0 344.418 3.535 50 30 EHEARN Cc1ccsc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000019771507 212063441 /nfs/dbraw/zinc/06/34/41/212063441.db2.gz VOVVYKICEUVJND-XDHOZWIPSA-N 0 0 333.888 3.862 50 30 EHEARN Fc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000019771466 212062949 /nfs/dbraw/zinc/06/29/49/212062949.db2.gz FPJCKCMLPYYNAN-FYJGNVAPSA-N 0 0 331.822 3.631 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccsc1 ZINC000017530226 211969796 /nfs/dbraw/zinc/96/97/96/211969796.db2.gz GBQDATNPQHMCRH-HNNXBMFYSA-N 0 0 331.437 3.525 50 30 EHEARN CCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000078728908 217109549 /nfs/dbraw/zinc/10/95/49/217109549.db2.gz TXOHNUTZOUNMJW-ZDUSSCGKSA-N 0 0 340.379 3.723 50 30 EHEARN N#Cc1cccc(OCCSCc2nnc(-c3ccccc3)o2)c1 ZINC000078935996 217151952 /nfs/dbraw/zinc/15/19/52/217151952.db2.gz XPODKBDXGGNIBU-UHFFFAOYSA-N 0 0 337.404 3.920 50 30 EHEARN COc1ccc(C(=O)C2=CN(C)CCc3c4ccccc4[nH]c32)cc1 ZINC000079189498 217201042 /nfs/dbraw/zinc/20/10/42/217201042.db2.gz OGNSBSAGCIKMNN-UHFFFAOYSA-N 0 0 332.403 3.888 50 30 biogenic EHEARN C[C@H](S[C@H](C(N)=O)c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000079358884 217215218 /nfs/dbraw/zinc/21/52/18/217215218.db2.gz AIHYCZCJNHCKDB-QFYYESIMSA-N 0 0 332.375 3.857 50 30 EHEARN Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)c3ccc(F)cn3)c12 ZINC000080436060 217303384 /nfs/dbraw/zinc/30/33/84/217303384.db2.gz KXWKYRQXFJEDGS-CYBMUJFWSA-N 0 0 338.342 3.679 50 30 EHEARN C[C@@H](C#N)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000084907735 217649876 /nfs/dbraw/zinc/64/98/76/217649876.db2.gz PXIZZCNJRHUOPG-NSHDSACASA-N 0 0 340.349 3.587 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC(CSc3ccccn3)CC2)c1 ZINC000085557614 217676197 /nfs/dbraw/zinc/67/61/97/217676197.db2.gz XAIBXSUPBBHEPK-UHFFFAOYSA-N 0 0 337.448 3.598 50 30 EHEARN C=CCOc1ccccc1Oc1cc(-n2nc(C)cc2C)nc(C)n1 ZINC000012408363 211372177 /nfs/dbraw/zinc/37/21/77/211372177.db2.gz TZNAVNDBCUAHSO-UHFFFAOYSA-N 0 0 336.395 3.945 50 30 EHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3N[C@@H](c3ccccc3)C12 ZINC000012390567 211366818 /nfs/dbraw/zinc/36/68/18/211366818.db2.gz IYQYGSCWXNNZBC-SJCJKPOMSA-N 0 0 348.362 3.642 50 30 EHEARN N#Cc1ccc(OCCOC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000010648229 211184241 /nfs/dbraw/zinc/18/42/41/211184241.db2.gz ZSRZYQDMOGVNLU-UHFFFAOYSA-N 0 0 335.281 3.813 50 30 EHEARN Cc1noc(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000009578451 211104276 /nfs/dbraw/zinc/10/42/76/211104276.db2.gz IEAIBJJMUDUUPD-SECBINFHSA-N 0 0 329.425 3.531 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1/C=C1\Oc2cc(O)ccc2C1=O ZINC000009418814 211081422 /nfs/dbraw/zinc/08/14/22/211081422.db2.gz WBQCMMMBAVQGSJ-ODLFYWEKSA-N 0 0 332.359 3.811 50 30 EHEARN N#Cc1ccc(-c2cnc(CSCc3nc(C4CC4)no3)o2)cc1 ZINC000095403749 218338405 /nfs/dbraw/zinc/33/84/05/218338405.db2.gz WZDXCJPQNNOYDC-UHFFFAOYSA-N 0 0 338.392 3.907 50 30 EHEARN Cc1nc(-c2ccc(Br)cc2Cl)nn1CCC#N ZINC000095438950 218382138 /nfs/dbraw/zinc/38/21/38/218382138.db2.gz ZHWNHLNAUPXRNJ-UHFFFAOYSA-N 0 0 325.597 3.583 50 30 EHEARN COc1ccc(Cc2nnc(SCc3ccccc3C#N)o2)cc1 ZINC000007414938 210797599 /nfs/dbraw/zinc/79/75/99/210797599.db2.gz FYTVXOMHXVUXGC-UHFFFAOYSA-N 0 0 337.404 3.833 50 30 EHEARN N#Cc1ccccc1COC(=O)c1cc(Br)ccc1F ZINC000007357307 210786756 /nfs/dbraw/zinc/78/67/56/210786756.db2.gz OAFOULPHPWWPTR-UHFFFAOYSA-N 0 0 334.144 3.817 50 30 EHEARN C=CCOc1cccc(NC(=O)N[C@H]2COC3(C2)CCCCC3)c1 ZINC000096149302 218626313 /nfs/dbraw/zinc/62/63/13/218626313.db2.gz YYBNNNBSDZDBFK-MRXNPFEDSA-N 0 0 330.428 3.865 50 30 EHEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000005129748 210395974 /nfs/dbraw/zinc/39/59/74/210395974.db2.gz RSYOHHAXXZYWOB-GORDUTHDSA-N 0 0 345.738 3.916 50 30 EHEARN C/C(CC(C)(C)c1ccccc1)=N\NS(=O)(=O)c1ccccc1 ZINC000005122958 210394350 /nfs/dbraw/zinc/39/43/50/210394350.db2.gz QRMSROXOPNOCHB-XDJHFCHBSA-N 0 0 330.453 3.709 50 30 EHEARN C=CCNC(=S)N=NCc1ccccc1OCc1ccccc1 ZINC000005009708 210361137 /nfs/dbraw/zinc/36/11/37/210361137.db2.gz MZBUCZPBDLLXKZ-MOSHPQCFSA-N 0 0 325.437 3.661 50 30 EHEARN CNc1ccccc(C(=O)/C=C\c2ccccc2Br)c1=O ZINC000097474715 219028894 /nfs/dbraw/zinc/02/88/94/219028894.db2.gz RZWNIEVRGRWJNM-KHPPLWFESA-N 0 0 344.208 3.747 50 30 EHEARN C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)c1ccc(Cl)s1 ZINC000175872205 257953938 /nfs/dbraw/zinc/95/39/38/257953938.db2.gz IQQGLWDCQHWYJV-GFCCVEGCSA-N 0 0 333.844 3.842 50 30 EHEARN C=CCN(Cc1ccc(OC)cc1)C(=O)c1nc2cccnc2s1 ZINC000170615528 258001498 /nfs/dbraw/zinc/00/14/98/258001498.db2.gz AWRLEPCNXWGJAY-UHFFFAOYSA-N 0 0 339.420 3.528 50 30 EHEARN O=C(Nc1ccccc1COc1ccccc1)N[C@@H]1CCCNC1=O ZINC000330031605 258002943 /nfs/dbraw/zinc/00/29/43/258002943.db2.gz AXEBFQJMMUYUJY-QGZVFWFLSA-N 0 0 339.395 3.520 50 30 EHEARN CN(CCC#N)C(=O)C[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000002413971 258049668 /nfs/dbraw/zinc/04/96/68/258049668.db2.gz FYTDBGAILXKZQZ-RTBURBONSA-N 0 0 342.483 3.813 50 30 EHEARN CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc(CC#N)cc1 ZINC000053849480 258060809 /nfs/dbraw/zinc/06/08/09/258060809.db2.gz FGJZYIKIVRNOMI-KRWDZBQOSA-N 0 0 340.448 3.729 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000055060910 258061132 /nfs/dbraw/zinc/06/11/32/258061132.db2.gz FQWVAJHMIQPRFX-SFHVURJKSA-N 0 0 334.419 3.891 50 30 EHEARN C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000068336021 258063342 /nfs/dbraw/zinc/06/33/42/258063342.db2.gz CNNWZFCHPQEMHL-NOZJJQNGSA-N 0 0 329.787 3.601 50 30 EHEARN C[C@@H](c1cccc(C#N)c1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190039429 534081146 /nfs/dbraw/zinc/08/11/46/534081146.db2.gz OQYLZXXSYFCUED-AWEZNQCLSA-N 0 0 342.389 3.881 50 30 EHEARN C=C(C)COc1ccc(NC(=O)NCCn2nc(C)c(C)c2C)cc1 ZINC000299779540 518613804 /nfs/dbraw/zinc/61/38/04/518613804.db2.gz SEMIWWVIFXNPIU-UHFFFAOYSA-N 0 0 342.443 3.585 50 30 EHEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccs1 ZINC000004513055 518798568 /nfs/dbraw/zinc/79/85/68/518798568.db2.gz VPNGEJZEQBSWGE-UHFFFAOYSA-N 0 0 339.420 3.935 50 30 EHEARN C=CCNc1nnc(SCCOc2ccccc2C(C)=O)s1 ZINC000011526725 518966744 /nfs/dbraw/zinc/96/67/44/518966744.db2.gz PZBODTNZQVUWKU-UHFFFAOYSA-N 0 0 335.454 3.510 50 30 EHEARN C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000003386361 519031538 /nfs/dbraw/zinc/03/15/38/519031538.db2.gz ZKDSDJNDFIZANB-UHFFFAOYSA-N 0 0 342.414 3.769 50 30 EHEARN C=CCOc1ccccc1CN(CC)Cc1cnc(NC(C)C)nc1 ZINC000055307571 519066797 /nfs/dbraw/zinc/06/67/97/519066797.db2.gz FIWOKEDPZZENMT-UHFFFAOYSA-N 0 0 340.471 3.884 50 30 EHEARN C=CCSc1nc2ccccc2n1CC(=O)N1CCCCCC1 ZINC000012658188 519081190 /nfs/dbraw/zinc/08/11/90/519081190.db2.gz TZKSHHPRFRXHMP-UHFFFAOYSA-N 0 0 329.469 3.717 50 30 EHEARN C=CCc1cc(CN(C)Cc2nncn2C(C)C)ccc1OCC ZINC000055414472 519130581 /nfs/dbraw/zinc/13/05/81/519130581.db2.gz IXMQWJYPRGGSRC-UHFFFAOYSA-N 0 0 328.460 3.618 50 30 EHEARN C=CCc1ccc(O[C@H](C)C(=O)Nc2ccc(OC)cc2)c(OC)c1 ZINC000014255008 519141190 /nfs/dbraw/zinc/14/11/90/519141190.db2.gz HQSXTMFUZQILIM-CQSZACIVSA-N 0 0 341.407 3.838 50 30 EHEARN CCN(CC(=O)Nc1ccccc1Cc1ccccc1)C[C@@H](C)C#N ZINC000060038310 520368834 /nfs/dbraw/zinc/36/88/34/520368834.db2.gz AXEZOZANNPGDGH-KRWDZBQOSA-N 0 0 335.451 3.697 50 30 EHEARN COc1ccc(C(=O)C=CNc2ccc(N(C)C)cc2)cc1OC ZINC000044974976 523539121 /nfs/dbraw/zinc/53/91/21/523539121.db2.gz WHUOIFQENRETEM-VAWYXSNFSA-N 0 0 326.396 3.578 50 30 EHEARN Cc1ccccc1C(=N)NOC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000014074960 525037022 /nfs/dbraw/zinc/03/70/22/525037022.db2.gz MFMAGXCXCHVEIS-UHFFFAOYSA-N 0 0 337.206 3.708 50 30 EHEARN C[C@@H](Nc1ccc(CC#N)cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000014094620 525703369 /nfs/dbraw/zinc/70/33/69/525703369.db2.gz PNUQQDWAPKBGOT-GFCCVEGCSA-N 0 0 345.349 3.793 50 30 EHEARN N#CC1(NC(=O)COc2ccccc2Cc2ccccc2)CCCCC1 ZINC000003429210 526437254 /nfs/dbraw/zinc/43/72/54/526437254.db2.gz ZFJRPIYZWFWZSK-UHFFFAOYSA-N 0 0 348.446 3.999 50 30 EHEARN O=C1CCCC(=O)C1C(c1ccc(O)cc1)C1C(=O)CCCC1=O ZINC000001017297 526966994 /nfs/dbraw/zinc/96/69/94/526966994.db2.gz AMDNSKKCLDFWSB-UHFFFAOYSA-N 0 0 328.364 3.606 50 30 EHEARN Cn1ccc(/C=C2/CCCc3cc(Br)ccc3C2=O)n1 ZINC000328593190 527335259 /nfs/dbraw/zinc/33/52/59/527335259.db2.gz URFZDAVDBKTPRN-BENRWUELSA-N 0 0 331.213 3.785 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1C1CCCCC1 ZINC000000408679 563307623 /nfs/dbraw/zinc/30/76/23/563307623.db2.gz GGVWCHYCTVXVSJ-KRWDZBQOSA-N 0 0 331.456 3.876 50 30 EHEARN CC(C)(C)c1ccc(C=NN2C(=S)N=NC2c2cccnc2)cc1 ZINC000001252091 563381682 /nfs/dbraw/zinc/38/16/82/563381682.db2.gz ZLVOEPHLPMYFJD-RGVLZGJSSA-N 0 0 337.452 3.809 50 30 EHEARN N#C[C@@H](NC(=O)CCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000071890197 563421412 /nfs/dbraw/zinc/42/14/12/563421412.db2.gz DOHQHFHLAUNYFX-OAHLLOKOSA-N 0 0 334.206 3.702 50 30 EHEARN CC(NC(=O)Nc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F ZINC000002091523 563422438 /nfs/dbraw/zinc/42/24/38/563422438.db2.gz UELHPPWKGBLEAP-UHFFFAOYSA-N 0 0 336.182 3.970 50 30 EHEARN Cc1ccc(N2CCN(/N=C\c3c(F)cccc3Cl)CC2)cc1 ZINC000004567501 563505365 /nfs/dbraw/zinc/50/53/65/563505365.db2.gz CQIHQNRMIQMOMT-BKUYFWCQSA-N 0 0 331.822 3.944 50 30 EHEARN COc1ccccc1N1CCN(/N=C\c2ccc(C(C)C)cc2)CC1 ZINC000005052404 563520104 /nfs/dbraw/zinc/52/01/04/563520104.db2.gz SXDBRPFUMPQUFA-JWGURIENSA-N 0 0 337.467 3.975 50 30 EHEARN O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1ccccc1Cl ZINC000005649885 563543711 /nfs/dbraw/zinc/54/37/11/563543711.db2.gz KJRIKRDWOXFXDU-SKCQWOFPSA-N 0 0 343.839 3.504 50 30 EHEARN Cc1csc(C(C#N)=C([O-])c2c[nH]nc2-c2c(F)cccc2F)n1 ZINC000097380178 563620429 /nfs/dbraw/zinc/62/04/29/563620429.db2.gz YDFJCQHIKYYSSR-SECBINFHSA-N 0 0 344.346 3.610 50 30 EHEARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC/C2=N\O ZINC000013590256 563702922 /nfs/dbraw/zinc/70/29/22/563702922.db2.gz WJHPNHKVALGIJB-WOJGMQOQSA-N 0 0 338.429 3.568 50 30 EHEARN Cc1nc(C2=C(N)N(c3ccc(C(C)C)cc3)CC2=O)sc1C ZINC000013688128 563711549 /nfs/dbraw/zinc/71/15/49/563711549.db2.gz QNHHXTLHWFITHN-UHFFFAOYSA-N 0 0 327.453 3.600 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1 ZINC000032796566 563737695 /nfs/dbraw/zinc/73/76/95/563737695.db2.gz WGTJMXLLOZFFMR-UHFFFAOYSA-N 0 0 329.197 3.593 50 30 EHEARN CCCN(Cc1ccc(C#N)cc1)C(=O)COc1c(C)cccc1C ZINC000032796979 563738021 /nfs/dbraw/zinc/73/80/21/563738021.db2.gz RIZZGNRGBKLWLJ-UHFFFAOYSA-N 0 0 336.435 3.993 50 30 EHEARN N/C(=N\O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000014808036 563765067 /nfs/dbraw/zinc/76/50/67/563765067.db2.gz OGVFGAOLPIYKCN-UHFFFAOYSA-N 0 0 331.681 3.641 50 30 EHEARN COc1ccc(CN=Nc2oc(-c3ccc(C)cc3)nc2C#N)cc1 ZINC000016752852 563822600 /nfs/dbraw/zinc/82/26/00/563822600.db2.gz HLALGQQIHDQHOB-CIAFOILYSA-N 0 0 332.363 3.976 50 30 EHEARN CC(C)(C)c1ccc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)cc1 ZINC000025686434 563887429 /nfs/dbraw/zinc/88/74/29/563887429.db2.gz IOURJBGHDVVBQD-UHFFFAOYSA-N 0 0 330.395 3.514 50 30 EHEARN N#Cc1c2ccccc2[nH]c1OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000072311108 563918284 /nfs/dbraw/zinc/91/82/84/563918284.db2.gz NYTOOWDVHRGSKN-KDOFPFPSSA-N 0 0 337.423 3.600 50 30 EHEARN C=CCN(C(=O)Nc1cc(C(=O)N(C)C)ccc1C)C1CCCC1 ZINC000072314299 563930162 /nfs/dbraw/zinc/93/01/62/563930162.db2.gz BBFTXTILPVGYJT-UHFFFAOYSA-N 0 0 329.444 3.659 50 30 EHEARN Cc1csc([C@H](C#N)C(=O)c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000097079906 563967204 /nfs/dbraw/zinc/96/72/04/563967204.db2.gz VHIALYSEGDCVNB-OAHLLOKOSA-N 0 0 340.452 3.573 50 30 EHEARN Cc1cc2cc(C(=O)N(C)[C@@H](C)CC#N)oc2c(Br)c1 ZINC000097083151 563967288 /nfs/dbraw/zinc/96/72/88/563967288.db2.gz ZFAUQONBVXMCDM-JTQLQIEISA-N 0 0 335.201 3.878 50 30 EHEARN N#CC(N=Nc1cccc(C(F)(F)F)c1)=C(N)N1CCCCCC1 ZINC000000077631 563974538 /nfs/dbraw/zinc/97/45/38/563974538.db2.gz PSGNNTYCJFBNFH-DPMNZDDBSA-N 0 0 337.349 3.850 50 30 EHEARN N#Cc1c(NC(=O)CN2CCCCCC2)sc2c1CCCCC2 ZINC000000090109 563976519 /nfs/dbraw/zinc/97/65/19/563976519.db2.gz BBVSVQYOYWTYEN-UHFFFAOYSA-N 0 0 331.485 3.703 50 30 EHEARN C[C@@H]1Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N\O)C1 ZINC000096247830 563980648 /nfs/dbraw/zinc/98/06/48/563980648.db2.gz XTVNPIPUPOMIEI-BEFIFZSESA-N 0 0 332.201 3.667 50 30 EHEARN CC(=CC(=O)c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 ZINC000101084247 563982917 /nfs/dbraw/zinc/98/29/17/563982917.db2.gz HHXZJVFGMGHRIH-XYOKQWHBSA-N 0 0 329.783 3.945 50 30 EHEARN C=C(Cl)CN(C(=O)Cc1ccncc1)[C@H]1CCc2ccccc21 ZINC000408513917 563992801 /nfs/dbraw/zinc/99/28/01/563992801.db2.gz LUJQJKWHUTZOQV-SFHVURJKSA-N 0 0 326.827 3.893 50 30 EHEARN Cc1ccc2c(c1)scc2C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000408515373 563992993 /nfs/dbraw/zinc/99/29/93/563992993.db2.gz ZWZUCBAIYDGVNM-ZDUSSCGKSA-N 0 0 335.388 3.566 50 30 EHEARN N#Cc1cc(N2CCC[C@H]2c2ccc(Br)c(F)c2)ncn1 ZINC000408515479 563993020 /nfs/dbraw/zinc/99/30/20/563993020.db2.gz NCOWFDPLQKFCKD-AWEZNQCLSA-N 0 0 347.191 3.591 50 30 EHEARN O=[N+]([O-])c1ccccc1N=NCc1ccc(Br)s1 ZINC000252460309 563997656 /nfs/dbraw/zinc/99/76/56/563997656.db2.gz DIKPRHICCVRALH-UHFFFAOYSA-N 0 0 326.175 3.865 50 30 EHEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 ZINC000005588529 564006019 /nfs/dbraw/zinc/00/60/19/564006019.db2.gz VRJMYQJWMASRRU-SXGWCWSVSA-N 0 0 338.388 3.615 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(NC(C)=O)ccc1C ZINC000189024350 564014486 /nfs/dbraw/zinc/01/44/86/564014486.db2.gz PGUIMFKNURQLAX-UHFFFAOYSA-N 0 0 347.418 3.654 50 30 EHEARN Cc1ccc(C(=O)CC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000101137489 564019258 /nfs/dbraw/zinc/01/92/58/564019258.db2.gz RKGGFRQFJLFABW-OCKHKDLRSA-N 0 0 339.435 3.705 50 30 EHEARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)cc1 ZINC000000534541 564022049 /nfs/dbraw/zinc/02/20/49/564022049.db2.gz HNRZDNFXDSDREU-NJDAHSKKSA-N 0 0 341.499 3.724 50 30 EHEARN CC(C)CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000103503469 564022529 /nfs/dbraw/zinc/02/25/29/564022529.db2.gz PTUGEVHZGHQJGR-LBPRGKRZSA-N 0 0 326.368 3.695 50 30 EHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)cc1 ZINC000103504658 564022562 /nfs/dbraw/zinc/02/25/62/564022562.db2.gz GQRGMCIOCJALID-AWEZNQCLSA-N 0 0 342.782 3.700 50 30 EHEARN O=C(N=C(NCc1ccccn1)Nc1ccc(F)cc1)c1ccccc1 ZINC000046126470 564029611 /nfs/dbraw/zinc/02/96/11/564029611.db2.gz VAKGNLJDVUGBQO-UHFFFAOYSA-N 0 0 348.381 3.619 50 30 EHEARN CC(C)N1C(=O)S/C(=C\c2cn(CC#N)c3ccccc23)C1=O ZINC000005462496 564032343 /nfs/dbraw/zinc/03/23/43/564032343.db2.gz GNZNBPMZOBLFPJ-DHDCSXOGSA-N 0 0 325.393 3.610 50 30 EHEARN C=CCNC(=O)[C@@H](C)OC(=O)/C=C/c1sc2ccccc2c1Cl ZINC000007841687 564034529 /nfs/dbraw/zinc/03/45/29/564034529.db2.gz KWENKLSIHFRYNK-ANYFNZRUSA-N 0 0 349.839 3.802 50 30 EHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000005782283 564051196 /nfs/dbraw/zinc/05/11/96/564051196.db2.gz TXNQIEROLBAIQZ-MRXNPFEDSA-N 0 0 326.783 3.851 50 30 EHEARN CC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000005791211 564052216 /nfs/dbraw/zinc/05/22/16/564052216.db2.gz JGCAYIXBIPNGOY-VGCKYNLESA-N 0 0 337.448 3.931 50 30 EHEARN N#Cc1nc(COc2ccccc2F)oc1NCCc1ccccc1 ZINC000002497615 564053596 /nfs/dbraw/zinc/05/35/96/564053596.db2.gz HMGZJRZSLCXSOX-UHFFFAOYSA-N 0 0 337.354 3.919 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257356496 564055918 /nfs/dbraw/zinc/05/59/18/564055918.db2.gz IKTWAVWPFLQACH-NIAVFTRYSA-N 0 0 326.436 3.823 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000019138527 564059116 /nfs/dbraw/zinc/05/91/16/564059116.db2.gz IQRLGYPXDPOELM-SFHVURJKSA-N 0 0 333.387 3.759 50 30 EHEARN COc1ccc(OC)c(-c2c(C#N)c(C)nc3c2N2CCC3CC2)c1 ZINC000004049914 564061671 /nfs/dbraw/zinc/06/16/71/564061671.db2.gz RSJAIPJLSZMVNE-UHFFFAOYSA-N 0 0 335.407 3.643 50 30 EHEARN COC(=O)c1ccccc1Sc1nnc(-c2ccccc2)cc1C#N ZINC000001387401 564064274 /nfs/dbraw/zinc/06/42/74/564064274.db2.gz SLKUEAKHRDPUAK-UHFFFAOYSA-N 0 0 347.399 3.953 50 30 EHEARN C=CCn1c(CC(=O)Nc2cccc(Cl)c2Cl)n[nH]c1=S ZINC000006158523 564070705 /nfs/dbraw/zinc/07/07/05/564070705.db2.gz CNLYBFRWASGUGS-UHFFFAOYSA-N 0 0 343.239 3.615 50 30 EHEARN CC#CC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000012718713 564073648 /nfs/dbraw/zinc/07/36/48/564073648.db2.gz PXMWAPALMZYQAT-SFHVURJKSA-N 0 0 335.451 3.687 50 30 EHEARN C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1OC ZINC000016702137 564074433 /nfs/dbraw/zinc/07/44/33/564074433.db2.gz IIANIOCJCKJUMU-UHFFFAOYSA-N 0 0 343.379 3.530 50 30 EHEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccnc1 ZINC000000304567 564074547 /nfs/dbraw/zinc/07/45/47/564074547.db2.gz KDXHHINAQACKFD-UHFFFAOYSA-N 0 0 336.420 3.501 50 30 EHEARN CCOc1cc(C#N)ccc1OCCOc1ccccc1C(C)=O ZINC000012895291 564077586 /nfs/dbraw/zinc/07/75/86/564077586.db2.gz XCDUMRRUGYOFPG-UHFFFAOYSA-N 0 0 325.364 3.617 50 30 EHEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccnc1 ZINC000075262326 564081282 /nfs/dbraw/zinc/08/12/82/564081282.db2.gz JMUBASAFARRKDU-LUJKNUAXSA-N 0 0 331.419 3.614 50 30 EHEARN C=CCC1(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)CCC1 ZINC000191009690 564084591 /nfs/dbraw/zinc/08/45/91/564084591.db2.gz BOQQPSQTUCGLTD-UHFFFAOYSA-N 0 0 344.430 3.749 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSC(F)(F)F)sc2C1 ZINC000075488229 564087066 /nfs/dbraw/zinc/08/70/66/564087066.db2.gz CMFGXGGARJPNGA-ZETCQYMHSA-N 0 0 334.388 3.936 50 30 EHEARN O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCCCC1 ZINC000016524156 564089688 /nfs/dbraw/zinc/08/96/88/564089688.db2.gz OSCMUAQRCWSXCM-QOCHGBHMSA-N 0 0 337.398 3.737 50 30 EHEARN Cc1ccc(/C=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000006504049 564091081 /nfs/dbraw/zinc/09/10/81/564091081.db2.gz PFKGGPSMFQKSSD-GZTJUZNOSA-N 0 0 336.482 3.666 50 30 EHEARN N#C[C@H]1CCCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)C1 ZINC000426549905 564094108 /nfs/dbraw/zinc/09/41/08/564094108.db2.gz JTTDUDNMCNQSHW-QGZVFWFLSA-N 0 0 334.423 3.634 50 30 EHEARN CCc1nnc(NC(=O)c2ccccc2-c2ccccc2C#N)s1 ZINC000007278768 564106452 /nfs/dbraw/zinc/10/64/52/564106452.db2.gz ZQQSMKYOLCWJGI-UHFFFAOYSA-N 0 0 334.404 3.891 50 30 EHEARN COc1cc(/C=C2\C(=O)c3c(c(F)ccc3O)[C@H]2C)cc(OC)c1 ZINC000007333224 564106956 /nfs/dbraw/zinc/10/69/56/564106956.db2.gz ZDUKGVORNXISDR-WULZRQGASA-N 0 0 328.339 3.932 50 30 EHEARN Cn1c2cc(C#N)ccc2nc1NCc1cc(F)cc2cccnc21 ZINC000170616101 564110069 /nfs/dbraw/zinc/11/00/69/564110069.db2.gz YYTNBNUJXXYIOH-UHFFFAOYSA-N 0 0 331.354 3.744 50 30 EHEARN COc1ccc(CNc2cc(C#N)nc3ccccc32)cc1NC(C)=O ZINC000076062902 564115201 /nfs/dbraw/zinc/11/52/01/564115201.db2.gz OPYOGQPNFYJORK-UHFFFAOYSA-N 0 0 346.390 3.686 50 30 EHEARN Cc1cccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)c1 ZINC000006055655 564116377 /nfs/dbraw/zinc/11/63/77/564116377.db2.gz KMKXLAXUXYIBEV-RGVLZGJSSA-N 0 0 333.420 3.906 50 30 EHEARN Cc1ccc(S(=O)(=O)O[C@@H](C)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003132954 564119155 /nfs/dbraw/zinc/11/91/55/564119155.db2.gz KDAJYOXGEHWABT-KBPBESRZSA-N 0 0 349.408 3.801 50 30 EHEARN C=CCCC(=O)N1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC000252505026 564119923 /nfs/dbraw/zinc/11/99/23/564119923.db2.gz IGRYUUATXRLVBY-HSFUPAIVSA-N 0 0 334.504 3.663 50 30 EHEARN N#C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)C1CC1 ZINC000170650821 564120357 /nfs/dbraw/zinc/12/03/57/564120357.db2.gz MCFCUGFNIONSIZ-GOSISDBHSA-N 0 0 335.407 3.600 50 30 EHEARN Clc1cccc(Cl)c1C=Nn1nnnc1Nc1ccccc1 ZINC000252624529 564123212 /nfs/dbraw/zinc/12/32/12/564123212.db2.gz PPUPVOZPEGPOLC-UHFFFAOYSA-N 0 0 333.182 3.606 50 30 EHEARN C=CCOc1ccc(-c2nnc(SCc3ccnc(N)c3)o2)cc1 ZINC000195501679 564123516 /nfs/dbraw/zinc/12/35/16/564123516.db2.gz HWHCTYHRQATXRU-UHFFFAOYSA-N 0 0 340.408 3.571 50 30 EHEARN Cc1nc(C(=O)N[C@H](C#N)c2ccccc2F)c(-c2ccccc2)o1 ZINC000195562815 564123783 /nfs/dbraw/zinc/12/37/83/564123783.db2.gz UHQYNVDJLOHXQO-MRXNPFEDSA-N 0 0 335.338 3.784 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2cc(C)on2)[C@H]1c1ccc(C(C)C)cc1 ZINC000001451287 564124990 /nfs/dbraw/zinc/12/49/90/564124990.db2.gz JNRABYZIQNEOJQ-KRWDZBQOSA-N 0 0 340.379 3.595 50 30 EHEARN CN(C)CN1c2ccccc2/C(=N/c2ccc3ccccc3c2)C1=O ZINC000027527877 564130261 /nfs/dbraw/zinc/13/02/61/564130261.db2.gz LOXFROZIHMMTKI-XDOYNYLZSA-N 0 0 329.403 3.826 50 30 EHEARN N#C[C@@H](C(=O)c1cccc2ccsc21)c1nnc2n1CCCCC2 ZINC000253432048 564131760 /nfs/dbraw/zinc/13/17/60/564131760.db2.gz WDBPXVVNYDEENC-AWEZNQCLSA-N 0 0 336.420 3.709 50 30 EHEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000253500214 564132814 /nfs/dbraw/zinc/13/28/14/564132814.db2.gz ZQSQEUPUOWBSRX-OBSNUHQTSA-N 0 0 348.527 3.766 50 30 biogenic EHEARN COC(OC)c1ccc(C#N)c(SCC(=O)c2ccc(C)cc2)n1 ZINC000000123548 564132856 /nfs/dbraw/zinc/13/28/56/564132856.db2.gz FRFBUMVYAKQJGY-UHFFFAOYSA-N 0 0 342.420 3.528 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cc1 ZINC000077535847 564134316 /nfs/dbraw/zinc/13/43/16/564134316.db2.gz CAKNMHVQUUMIMH-MRXNPFEDSA-N 0 0 338.382 3.629 50 30 EHEARN CC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2ccccc2C#N)C1 ZINC000065371579 564134328 /nfs/dbraw/zinc/13/43/28/564134328.db2.gz SSWSRFUYTYGJEA-URVUXULASA-N 0 0 348.446 3.916 50 30 EHEARN N#Cc1cccnc1N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000067855989 564134918 /nfs/dbraw/zinc/13/49/18/564134918.db2.gz BQZCUASBGBLKFW-INIZCTEOSA-N 0 0 347.397 3.866 50 30 EHEARN CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2cccc(C#N)n2)c1 ZINC000426578551 564135107 /nfs/dbraw/zinc/13/51/07/564135107.db2.gz GPHGDBTWPWRORD-LJQANCHMSA-N 0 0 349.434 3.651 50 30 EHEARN Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 ZINC000082109153 564135616 /nfs/dbraw/zinc/13/56/16/564135616.db2.gz HICUCTZQEIQEKP-QGZVFWFLSA-N 0 0 335.455 3.561 50 30 EHEARN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cn(C)nc2C(C)C)C12CCCC2 ZINC000328588733 564136608 /nfs/dbraw/zinc/13/66/08/564136608.db2.gz VVYAYJFPKYNBPV-CVEARBPZSA-N 0 0 348.491 3.759 50 30 EHEARN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cn(C)nc2C(C)C)C12CCCC2 ZINC000328588738 564136619 /nfs/dbraw/zinc/13/66/19/564136619.db2.gz VVYAYJFPKYNBPV-JKSUJKDBSA-N 0 0 348.491 3.759 50 30 EHEARN CC(C)n1nc(-c2ccco2)cc1NC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328588455 564136626 /nfs/dbraw/zinc/13/66/26/564136626.db2.gz PNIMLPURCBNBNE-DYVFJYSZSA-N 0 0 344.415 3.617 50 30 EHEARN COc1ccc(CNC(=O)NCC2CCC(F)(F)CC2)cc1OC ZINC000328589302 564136656 /nfs/dbraw/zinc/13/66/56/564136656.db2.gz JOSPIVHVVGLONE-UHFFFAOYSA-N 0 0 342.386 3.533 50 30 EHEARN CCCC[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000328591027 564136718 /nfs/dbraw/zinc/13/67/18/564136718.db2.gz CJONBDOKSOOCTH-XCRHUMRWSA-N 0 0 329.444 3.669 50 30 EHEARN NC(=NOCc1cccc(OCC(F)(F)F)c1)c1cccs1 ZINC000079861680 564138361 /nfs/dbraw/zinc/13/83/61/564138361.db2.gz SIBKZKQSSAEFGC-UHFFFAOYSA-N 0 0 330.331 3.526 50 30 EHEARN Cc1cc(Cl)cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1O ZINC000390833860 564138843 /nfs/dbraw/zinc/13/88/43/564138843.db2.gz OCMANVZUWBMILW-AWEZNQCLSA-N 0 0 339.782 3.547 50 30 EHEARN COc1cc(NC(=O)N2CCC[C@H](C(N)=O)C2)cc(OC)c1C(C)C ZINC000330593772 564139119 /nfs/dbraw/zinc/13/91/19/564139119.db2.gz WPGWXHGCDIFQJS-LBPRGKRZSA-N 0 0 349.431 3.620 50 30 EHEARN C[C@H]1CC(C)(C)N(CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc21 ZINC000095466728 564141042 /nfs/dbraw/zinc/14/10/42/564141042.db2.gz FWZBOWRKSIILRH-XOBRGWDASA-N 0 0 325.456 3.587 50 30 EHEARN Cc1nn(C)c2nc(N3CCC(c4cccc(C#N)c4)CC3)sc12 ZINC000095498048 564141624 /nfs/dbraw/zinc/14/16/24/564141624.db2.gz CULMKOVKHRBBQK-UHFFFAOYSA-N 0 0 337.452 3.594 50 30 EHEARN C[C@@H](OCC(F)(F)F)C(=O)Nc1ccccc1SCCC#N ZINC000095953436 564142402 /nfs/dbraw/zinc/14/24/02/564142402.db2.gz LNDRJBHCYGZPMG-SNVBAGLBSA-N 0 0 332.347 3.598 50 30 EHEARN C=CCC[C@@H](NC(=O)Nc1cn(C)c(=O)cc1C)c1ccccc1 ZINC000095975647 564143558 /nfs/dbraw/zinc/14/35/58/564143558.db2.gz KILICCQXKRPQCB-MRXNPFEDSA-N 0 0 325.412 3.523 50 30 EHEARN CCOc1ccc(NC(=O)N2CCC[C@@H](CCCOC)C2)cc1C#N ZINC000096166888 564145798 /nfs/dbraw/zinc/14/57/98/564145798.db2.gz QXTIKKJOVKMHCW-HNNXBMFYSA-N 0 0 345.443 3.627 50 30 EHEARN Cc1nn(C)cc1C(=O)/C=C\c1ccccc1OCc1cccnc1 ZINC000096309014 564146662 /nfs/dbraw/zinc/14/66/62/564146662.db2.gz HLZWQBOGMASSNR-KTKRTIGZSA-N 0 0 333.391 3.599 50 30 EHEARN COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1OC(F)F ZINC000096313992 564146721 /nfs/dbraw/zinc/14/67/21/564146721.db2.gz DLBCPGLQGSIKEU-XQRVVYSFSA-N 0 0 336.338 3.970 50 30 EHEARN Cc1nn(C)c(Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000096404862 564147296 /nfs/dbraw/zinc/14/72/96/564147296.db2.gz GTGULZFWNSOFCD-JTQLQIEISA-N 0 0 348.859 3.886 50 30 EHEARN Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1OC1CCOCC1 ZINC000096414145 564147679 /nfs/dbraw/zinc/14/76/79/564147679.db2.gz DVCDEHNLMALGMY-UHFFFAOYSA-N 0 0 336.391 3.677 50 30 EHEARN C/C=C\c1ccc(OCC(=O)OCc2cccc(C#N)c2)c(OC)c1 ZINC000096506626 564148795 /nfs/dbraw/zinc/14/87/95/564148795.db2.gz YTJJBGXCDWLQEE-HYXAFXHYSA-N 0 0 337.375 3.722 50 30 EHEARN C=CCSc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 ZINC000002628015 564151377 /nfs/dbraw/zinc/15/13/77/564151377.db2.gz BNUUIFKTHUJQQD-UHFFFAOYSA-N 0 0 325.846 3.651 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(F)cc3)sc2C1 ZINC000002642092 564151721 /nfs/dbraw/zinc/15/17/21/564151721.db2.gz BCQMDZRZBXKKJC-NSHDSACASA-N 0 0 344.411 3.901 50 30 EHEARN N#Cc1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000003221708 564156210 /nfs/dbraw/zinc/15/62/10/564156210.db2.gz WTYQFJKPCHQHKP-UHFFFAOYSA-N 0 0 335.407 3.566 50 30 EHEARN C=CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000058150518 564157763 /nfs/dbraw/zinc/15/77/63/564157763.db2.gz LKFPJBDLYRVYRF-UHFFFAOYSA-N 0 0 339.395 3.530 50 30 EHEARN Cc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2C#N)o1 ZINC000008200445 564163555 /nfs/dbraw/zinc/16/35/55/564163555.db2.gz UFIOTUFEZIZPQT-UHFFFAOYSA-N 0 0 338.348 3.976 50 30 EHEARN N#Cc1ccsc1NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000008729282 564167075 /nfs/dbraw/zinc/16/70/75/564167075.db2.gz BUOWUGKIKRUJRC-UHFFFAOYSA-N 0 0 343.355 3.764 50 30 EHEARN CN(CC(F)(F)F)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000069619332 564170920 /nfs/dbraw/zinc/17/09/20/564170920.db2.gz XMBDDZKJOLWEOL-UHFFFAOYSA-N 0 0 334.297 3.985 50 30 EHEARN N#CCCCOc1cccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c1 ZINC000069657182 564171231 /nfs/dbraw/zinc/17/12/31/564171231.db2.gz MUEZXNMTLOCZEN-KRWDZBQOSA-N 0 0 341.798 3.877 50 30 EHEARN C#CCOc1cccc([C@H](C)NC(=O)c2c(C)noc2C(C)C)c1 ZINC000069705690 564171665 /nfs/dbraw/zinc/17/16/65/564171665.db2.gz RUMGADZXYZOBLQ-ZDUSSCGKSA-N 0 0 326.396 3.609 50 30 EHEARN N#Cc1ccc(SCc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000069809699 564172249 /nfs/dbraw/zinc/17/22/49/564172249.db2.gz AIZSSGPKABEYIU-UHFFFAOYSA-N 0 0 333.372 3.833 50 30 EHEARN CNC(=O)c1cccc(CCNc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000077229317 564176649 /nfs/dbraw/zinc/17/66/49/564176649.db2.gz MHADKPQQMDRRNW-UHFFFAOYSA-N 0 0 347.340 3.591 50 30 EHEARN CCC(=O)NC(Nc1cc(F)ccc1C)(C(F)(F)F)C(F)(F)F ZINC000002937635 1027419560 /nfs/dbraw/zinc/41/95/60/1027419560.db2.gz SKEBNIPENKCFHW-UHFFFAOYSA-N 0 0 346.246 3.893 50 30 EHEARN CN=c1scc(-c2ccccc2F)n1N=Cc1cccc(F)c1 ZINC000263631740 1029107424 /nfs/dbraw/zinc/10/74/24/1029107424.db2.gz PAGIJYLINSBZII-UHFFFAOYSA-N 0 0 329.375 3.908 50 30 EHEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CC[C@H]1CCCO1 ZINC000206434328 1029833889 /nfs/dbraw/zinc/83/38/89/1029833889.db2.gz XNCDBAJEOQJMMX-OSCRUYLVSA-N 0 0 346.496 3.856 50 30 EHEARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccnc(C#N)c2)cc1 ZINC000195117448 1037410226 /nfs/dbraw/zinc/41/02/26/1037410226.db2.gz AXKLFMKVRQJPCC-IBGZPJMESA-N 0 0 335.407 3.719 50 30 EHEARN Cn1c(Cl)cnc1/C=C/C(=O)c1ccc(Br)cc1 ZINC000253400951 1040752091 /nfs/dbraw/zinc/75/20/91/1040752091.db2.gz BJFSKPQNMUPHQI-VOTSOKGWSA-N 0 0 325.593 3.732 50 30 EHEARN N#Cc1c[nH]c(C(=O)Nc2nc3ccccc3n2C2CCCCC2)c1 ZINC000175352446 1040986710 /nfs/dbraw/zinc/98/67/10/1040986710.db2.gz YEEBEPUVCUMIGP-UHFFFAOYSA-N 0 0 333.395 3.994 50 30 EHEARN COc1ccc(CC(C)=NNC(=S)Nc2ccccc2F)cc1 ZINC000261189918 1043332982 /nfs/dbraw/zinc/33/29/82/1043332982.db2.gz YSRSTHRZPBQBRC-UHFFFAOYSA-N 0 0 331.416 3.739 50 30 EHEARN COc1ccccc1NCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000101799335 1136377987 /nfs/dbraw/zinc/37/79/87/1136377987.db2.gz NYGUHRBARFGTLU-DEDYPNTBSA-N 0 0 336.435 3.988 50 30 EHEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC[C@H]1CCCO1 ZINC000000352600 1137869335 /nfs/dbraw/zinc/86/93/35/1137869335.db2.gz PPMRSEOOCQYDCH-CQSZACIVSA-N 0 0 334.423 3.821 50 30 EHEARN C=C(C)COc1ccccc1C(=O)NCCc1nc2c(cccc2C)[nH]1 ZINC000055393305 214316405 /nfs/dbraw/zinc/31/64/05/214316405.db2.gz KMTGTNCJAMZTHV-UHFFFAOYSA-N 0 0 349.434 3.799 50 30 EHEARN N#Cc1ccccc1OCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000060110647 214628770 /nfs/dbraw/zinc/62/87/70/214628770.db2.gz ANHWNGSYEPBFPX-UHFFFAOYSA-N 0 0 333.366 3.951 50 30 EHEARN C=CCc1cc(C=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000004526034 210215391 /nfs/dbraw/zinc/21/53/91/210215391.db2.gz ZTZQIUMLDSARNP-UHFFFAOYSA-N 0 0 327.336 3.723 50 30 EHEARN O=C(/N=C1\SCC(=O)N1c1ccccc1Cl)c1ccccc1 ZINC000100105248 219091487 /nfs/dbraw/zinc/09/14/87/219091487.db2.gz OTHWTCCOPJDHAU-VLGSPTGOSA-N 0 0 330.796 3.616 50 30 EHEARN C=CCc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(OCC)c1O ZINC000004513689 210210538 /nfs/dbraw/zinc/21/05/38/210210538.db2.gz OEBSDNXJGHAHNC-XDHOZWIPSA-N 0 0 341.367 3.874 50 30 EHEARN CNC1=C(c2ccc(C(F)(F)F)cc2)C(=O)[C@H](c2ccccc2)O1 ZINC000100331076 219096660 /nfs/dbraw/zinc/09/66/60/219096660.db2.gz BUTVANDMTMJLII-INIZCTEOSA-N 0 0 333.309 3.934 50 30 EHEARN COc1ccc(N=CC(=CNc2ccc(OC)cc2)[N+](=O)[O-])cc1 ZINC000100363586 219097699 /nfs/dbraw/zinc/09/76/99/219097699.db2.gz IKURFEDIDMEYSH-CTGWRUSHSA-N 0 0 327.340 3.636 50 30 EHEARN Clc1cccc(Cl)c1/C=N/N1CCN(c2ccccn2)CC1 ZINC000100573123 219101945 /nfs/dbraw/zinc/10/19/45/219101945.db2.gz WHKVNFFFCKGDHE-UDWIEESQSA-N 0 0 335.238 3.545 50 30 EHEARN O=C(C(=CNc1ccc(F)cc1)C(=O)C(F)(F)F)c1ccco1 ZINC000100467141 219099976 /nfs/dbraw/zinc/09/99/76/219099976.db2.gz LSZMSHIVQKZJPT-FLIBITNWSA-N 0 0 327.233 3.729 50 30 EHEARN CCSc1nc2n(n1)[C@@H](c1sccc1C)C1C(=O)CCCC1=N2 ZINC000004436239 210192590 /nfs/dbraw/zinc/19/25/90/210192590.db2.gz AJSUTFNWABCKGA-CYBMUJFWSA-N 0 0 346.481 3.782 50 30 EHEARN CCSc1nc2n(n1)[C@@H](c1ccccc1C)C1C(=O)CCCC1=N2 ZINC000004436182 210192108 /nfs/dbraw/zinc/19/21/08/210192108.db2.gz XQDYULHTFLSGLN-INIZCTEOSA-N 0 0 340.452 3.721 50 30 EHEARN CCOC(=O)c1c(C)c(C)sc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100772813 219106502 /nfs/dbraw/zinc/10/65/02/219106502.db2.gz VUSYZTWJLNVIJE-DJKKODMXSA-N 0 0 349.452 3.818 50 30 EHEARN COc1ccc(CN=Nc2ncnc3sc(C)c(C)c32)cc1OC ZINC000004321564 210170523 /nfs/dbraw/zinc/17/05/23/210170523.db2.gz TZQNTZXGKAOSOY-DNTJNYDQSA-N 0 0 342.424 3.771 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004263261 210154668 /nfs/dbraw/zinc/15/46/68/210154668.db2.gz XJYIPYGBDWACTE-BJMVGYQFSA-N 0 0 328.364 3.617 50 30 biogenic EHEARN N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2ccco2)cc1 ZINC000065474594 214924435 /nfs/dbraw/zinc/92/44/35/214924435.db2.gz FWZVPJPQIDAZRY-LSDHHAIUSA-N 0 0 348.324 3.846 50 30 EHEARN N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccs2)c1 ZINC000065608213 214977674 /nfs/dbraw/zinc/97/76/74/214977674.db2.gz XKDPLNWUGSWGDS-UHFFFAOYSA-N 0 0 338.388 3.722 50 30 EHEARN CN(C)c1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000004093008 210118560 /nfs/dbraw/zinc/11/85/60/210118560.db2.gz OLJHBJYCJRKHLM-UHFFFAOYSA-N 0 0 337.419 3.881 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000004033288 210104912 /nfs/dbraw/zinc/10/49/12/210104912.db2.gz VYQQEUUUBIGUHW-KRWDZBQOSA-N 0 0 343.430 3.752 50 30 EHEARN Cc1ccc(NC(=S)NN=C2C(=O)Nc3c2cccc3C)c(C)c1 ZINC000003577193 210056879 /nfs/dbraw/zinc/05/68/79/210056879.db2.gz ISUFHMCQYKCDCT-UHFFFAOYSA-N 0 0 338.436 3.904 50 30 EHEARN O=C(C1=C(O)C(=O)N[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102578448 219211042 /nfs/dbraw/zinc/21/10/42/219211042.db2.gz HKNUZWDKBQISCI-MRPLLJTBSA-N 0 0 348.185 3.703 50 30 EHEARN COCc1cc(-c2cc(-c3ccco3)nc(N)c2C#N)ccc1OC ZINC000067847605 215230427 /nfs/dbraw/zinc/23/04/27/215230427.db2.gz WWGXMOYMEKRLDX-UHFFFAOYSA-N 0 0 335.363 3.617 50 30 EHEARN C=CCN(CC=C)C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000002737063 209899262 /nfs/dbraw/zinc/89/92/62/209899262.db2.gz FWMKWSLDAAJTOU-UHFFFAOYSA-N 0 0 333.428 3.697 50 30 EHEARN N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000103504364 219309466 /nfs/dbraw/zinc/30/94/66/219309466.db2.gz ZCFQMODFXZNJHR-LBPRGKRZSA-N 0 0 333.174 3.955 50 30 EHEARN CCc1ccsc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)cc1F ZINC000103633259 219318839 /nfs/dbraw/zinc/31/88/39/219318839.db2.gz NWLWPMKBUBGHKG-LLVKDONJSA-N 0 0 334.347 3.550 50 30 EHEARN CC(C)[C@@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000068875374 215342291 /nfs/dbraw/zinc/34/22/91/215342291.db2.gz GZZHWRCZCREWOB-OAHLLOKOSA-N 0 0 328.865 3.650 50 30 EHEARN C/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C ZINC000002121079 209821031 /nfs/dbraw/zinc/82/10/31/209821031.db2.gz NAZRLAPRFAUAEY-XXUJCTABSA-N 0 0 343.427 3.765 50 30 EHEARN Cc1nn2c(nc(C)cc2C)c1C(=O)N(CCC#N)c1cccc(C)c1 ZINC000069738274 215553957 /nfs/dbraw/zinc/55/39/57/215553957.db2.gz DKWKGRFGRAXSAY-UHFFFAOYSA-N 0 0 347.422 3.523 50 30 EHEARN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C2(C#N)CCCCC2)c1 ZINC000069739291 215556227 /nfs/dbraw/zinc/55/62/27/215556227.db2.gz BAAFURKTURQVCL-UHFFFAOYSA-N 0 0 347.846 3.891 50 30 EHEARN Cc1cc(OCc2ccc(C=NN3CN=NC3=S)o2)ccc1Cl ZINC000036611101 213101104 /nfs/dbraw/zinc/10/11/04/213101104.db2.gz SFHUUVLQPXYCHC-CNHKJKLMSA-N 0 0 348.815 3.583 50 30 EHEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)C1 ZINC000035672224 213045221 /nfs/dbraw/zinc/04/52/21/213045221.db2.gz BFQCQTDLABZWML-TXEJJXNPSA-N 0 0 326.356 3.604 50 30 EHEARN N#Cc1ccc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000033385986 212932447 /nfs/dbraw/zinc/93/24/47/212932447.db2.gz CBFDAAITSWFOPS-KTKRTIGZSA-N 0 0 333.416 3.905 50 30 EHEARN C=CCn1nc(C)c(CCC(=O)Nc2nc3c(s2)CCCC3)c1C ZINC000072242957 216082367 /nfs/dbraw/zinc/08/23/67/216082367.db2.gz YDKASNKIULTOBX-UHFFFAOYSA-N 0 0 344.484 3.593 50 30 EHEARN N#Cc1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 ZINC000000356095 209549157 /nfs/dbraw/zinc/54/91/57/209549157.db2.gz DLCANRDCEOGCAO-FNORWQNLSA-N 0 0 343.364 3.652 50 30 EHEARN CN1C(=O)/C(=C\C(=O)c2cccc(Br)c2)c2ccccc21 ZINC000000365897 209554062 /nfs/dbraw/zinc/55/40/62/209554062.db2.gz UWLCFJDCVLYKRM-UVTDQMKNSA-N 0 0 342.192 3.692 50 30 EHEARN CN(Cc1ccccc1)c1oc(COc2ccccc2F)nc1C#N ZINC000000108427 209425290 /nfs/dbraw/zinc/42/52/90/209425290.db2.gz MEQRIFNNAOMFRD-UHFFFAOYSA-N 0 0 337.354 3.901 50 30 EHEARN COc1ccc(OCc2nc(C#N)c(N3CCCCCC3)o2)cc1 ZINC000000108585 209426911 /nfs/dbraw/zinc/42/69/11/209426911.db2.gz GXEZXFPQKMGTKR-UHFFFAOYSA-N 0 0 327.384 3.514 50 30 EHEARN N#Cc1ccc(CCC(=O)NCc2cncc(-c3cccs3)c2)cc1 ZINC000225665321 241979019 /nfs/dbraw/zinc/97/90/19/241979019.db2.gz NSDDRLNUHIMNMU-UHFFFAOYSA-N 0 0 347.443 3.931 50 30 EHEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000020624471 212156822 /nfs/dbraw/zinc/15/68/22/212156822.db2.gz ASGXNFYBKACVIL-SXGWCWSVSA-N 0 0 329.783 3.723 50 30 EHEARN N#Cc1ccnc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000253404141 243909434 /nfs/dbraw/zinc/90/94/34/243909434.db2.gz FBZXSAFOAJYCAH-INIZCTEOSA-N 0 0 343.839 3.537 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F ZINC000019314538 212013944 /nfs/dbraw/zinc/01/39/44/212013944.db2.gz OPQOOOJIJUUHDN-KRWDZBQOSA-N 0 0 343.398 3.603 50 30 EHEARN COc1cc2c(c(OC)c1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000018200448 211989287 /nfs/dbraw/zinc/98/92/87/211989287.db2.gz KXKXLUDBBKLHER-GOSISDBHSA-N 0 0 336.391 3.663 50 30 EHEARN N#Cc1cc(F)c(N2CCC[C@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000078774496 217118448 /nfs/dbraw/zinc/11/84/48/217118448.db2.gz UQSSYGZJZOXBCL-HNNXBMFYSA-N 0 0 328.318 3.907 50 30 EHEARN CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000078728902 217109702 /nfs/dbraw/zinc/10/97/02/217109702.db2.gz TXOHNUTZOUNMJW-CYBMUJFWSA-N 0 0 340.379 3.723 50 30 EHEARN C/C(=N/NC(=S)Nc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000012462838 211387915 /nfs/dbraw/zinc/38/79/15/211387915.db2.gz FLYCVWRAAKZMQN-PDGQHHTCSA-N 0 0 328.397 3.614 50 30 EHEARN COc1cccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)c1 ZINC000012416673 211373011 /nfs/dbraw/zinc/37/30/11/211373011.db2.gz BRFZVCLXKJHXPY-LJQANCHMSA-N 0 0 333.391 3.923 50 30 EHEARN C=CCSC1=Nc2c(cnn2-c2cccc(C)c2)C2=NCCCN12 ZINC000012390729 211366788 /nfs/dbraw/zinc/36/67/88/211366788.db2.gz BZMITOMQKOWWMS-UHFFFAOYSA-N 0 0 337.452 3.553 50 30 EHEARN C=CCCC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012297326 211335403 /nfs/dbraw/zinc/33/54/03/211335403.db2.gz TVXUOCHQGPYSLX-INIZCTEOSA-N 0 0 331.366 3.610 50 30 EHEARN C=CCOc1ccc(C(=O)N2CCc3sccc3C2)cc1OC ZINC000012216420 211322651 /nfs/dbraw/zinc/32/26/51/211322651.db2.gz ACZXEOPNSQHOHN-UHFFFAOYSA-N 0 0 329.421 3.520 50 30 EHEARN Cc1c([C@H](C)NC(=O)c2ccccc2C#N)cnn1-c1ccccc1 ZINC000091536934 218019077 /nfs/dbraw/zinc/01/90/77/218019077.db2.gz KSVYWABYKFOWSR-AWEZNQCLSA-N 0 0 330.391 3.543 50 30 EHEARN N#Cc1ccccc1COC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000011493838 211219876 /nfs/dbraw/zinc/21/98/76/211219876.db2.gz UCYLYOKWCUUKLQ-UHFFFAOYSA-N 0 0 337.766 3.959 50 30 EHEARN CCOc1ccccc1NC(=O)CSCc1cc(C#N)ccc1F ZINC000009954483 211136252 /nfs/dbraw/zinc/13/62/52/211136252.db2.gz OTZFXVCABQTBLP-UHFFFAOYSA-N 0 0 344.411 3.968 50 30 EHEARN Cc1ccc(-c2csc(NC(=O)COc3ccccc3C#N)n2)o1 ZINC000009376202 211077993 /nfs/dbraw/zinc/07/79/93/211077993.db2.gz FBAADKPDUDDURB-UHFFFAOYSA-N 0 0 339.376 3.601 50 30 EHEARN Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000009133970 211043318 /nfs/dbraw/zinc/04/33/18/211043318.db2.gz PMLANVSHZPVQJP-JDNHERCYSA-N 0 0 328.803 3.508 50 30 EHEARN Cc1cc(C)nc(NC(=N)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000009068721 211037960 /nfs/dbraw/zinc/03/79/60/211037960.db2.gz PIRGEDMVFQAGOG-UHFFFAOYSA-N 0 0 343.740 3.824 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000009110023 211040049 /nfs/dbraw/zinc/04/00/49/211040049.db2.gz BHUYANTVBSTZDM-GOSISDBHSA-N 0 0 339.435 3.854 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2o1 ZINC000008924808 211018579 /nfs/dbraw/zinc/01/85/79/211018579.db2.gz JOBVRDGQSSLDNU-HNNXBMFYSA-N 0 0 337.832 3.628 50 30 EHEARN C=CCc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000008754734 211000670 /nfs/dbraw/zinc/00/06/70/211000670.db2.gz RGVDOAKZJPLTNX-UHFFFAOYSA-N 0 0 339.391 3.887 50 30 EHEARN COc1ccc(C(N)=NOCc2c(Cl)cccc2Cl)cc1 ZINC000008552655 210964992 /nfs/dbraw/zinc/96/49/92/210964992.db2.gz HDUBURASMLBOIM-UHFFFAOYSA-N 0 0 325.195 3.839 50 30 EHEARN N#Cc1cnn2c1N[C@@H](C13CC4CC(CC(C4)C1)C3)C[C@H]2C(F)F ZINC000006828420 210723181 /nfs/dbraw/zinc/72/31/81/210723181.db2.gz SJPDWOBGRWLIFY-UZZNIQBRSA-N 0 0 332.398 3.962 50 30 EHEARN C=CCn1c2ncn(Cc3ccc(Cl)cc3)c(=O)c2sc1=S ZINC000006590121 210660465 /nfs/dbraw/zinc/66/04/65/210660465.db2.gz STMIYMGGACRBMJ-UHFFFAOYSA-N 0 0 349.868 3.877 50 30 EHEARN C=CCO[C@H](C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000096408288 218759753 /nfs/dbraw/zinc/75/97/53/218759753.db2.gz NRYXRAXEGPEMMP-MYYSRTQBSA-N 0 0 349.496 3.798 50 30 EHEARN Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1C ZINC000005778557 210535496 /nfs/dbraw/zinc/53/54/96/210535496.db2.gz WEMFBACIUDZRND-UHFFFAOYSA-N 0 0 342.782 3.624 50 30 EHEARN CCOc1ccccc1OC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000096489971 218866232 /nfs/dbraw/zinc/86/62/32/218866232.db2.gz WPUZLGAYNHSMKT-UHFFFAOYSA-N 0 0 326.396 3.593 50 30 EHEARN C=CCn1cc(OC(=O)CC)c2c3nc4ccccc4n3c(CC)nc21 ZINC000005454912 210468264 /nfs/dbraw/zinc/46/82/64/210468264.db2.gz ZZLZYPFQYWFUAN-UHFFFAOYSA-N 0 0 348.406 3.901 50 30 EHEARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(C#N)cc1 ZINC000004963684 210342594 /nfs/dbraw/zinc/34/25/94/210342594.db2.gz LDWRWBFFKVHJAL-FHLIZLRMSA-N 0 0 343.423 3.719 50 30 EHEARN COc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000097296530 219009975 /nfs/dbraw/zinc/00/99/75/219009975.db2.gz IOSRBUGVSYTBGA-HYXAFXHYSA-N 0 0 346.364 3.519 50 30 EHEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/Sc1nnnn1-c1ccccc1 ZINC000097399213 219022146 /nfs/dbraw/zinc/02/21/46/219022146.db2.gz YVYPBJXLAAIUJT-NVLHILLFSA-N 0 0 340.452 3.664 50 30 EHEARN COc1cc(C#N)cc(Br)c1OC(=O)c1cccc(C)c1 ZINC000004813765 210284626 /nfs/dbraw/zinc/28/46/26/210284626.db2.gz WWGFJFDPNBACLJ-UHFFFAOYSA-N 0 0 346.180 3.857 50 30 EHEARN COC(=O)c1ccccc1/N=C/[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000004530952 257844835 /nfs/dbraw/zinc/84/48/35/257844835.db2.gz FMKWHJXRMHLTPO-HSWQHBDASA-N 0 0 325.364 3.783 50 30 EHEARN Cc1nc(-c2ccccc2)oc1C(=O)N(CCC#N)Cc1cccnc1 ZINC000172712115 257955454 /nfs/dbraw/zinc/95/54/54/257955454.db2.gz CXNXJQPTSUTVRQ-UHFFFAOYSA-N 0 0 346.390 3.601 50 30 EHEARN CCOc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1OC ZINC000007743986 257927569 /nfs/dbraw/zinc/92/75/69/257927569.db2.gz JJLIYEAIBRAWAS-CSKARUKUSA-N 0 0 339.391 3.948 50 30 EHEARN N#CCC(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000356092958 257930975 /nfs/dbraw/zinc/93/09/75/257930975.db2.gz OGOBFBAVMNBKSG-UHFFFAOYSA-N 0 0 339.439 3.788 50 30 EHEARN O=C(N[C@@H]1CCCC12CCOCC2)N1CCCC[C@H]1c1nccs1 ZINC000328703035 257932439 /nfs/dbraw/zinc/93/24/39/257932439.db2.gz JWQXFJMFXDHIFI-LSDHHAIUSA-N 0 0 349.500 3.933 50 30 EHEARN CCCCCCCC(=O)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000521394719 257948033 /nfs/dbraw/zinc/94/80/33/257948033.db2.gz BYMROOPLSUEXID-SFHVURJKSA-N 0 0 347.503 3.503 50 30 EHEARN O=C(Nc1c[nH]nc1-c1nccs1)N1CCC[C@@H]1c1ccccc1 ZINC000328600389 258041969 /nfs/dbraw/zinc/04/19/69/258041969.db2.gz XSZPVEXDZFIPGC-CQSZACIVSA-N 0 0 339.424 3.916 50 30 EHEARN C=CCN(C[C@@H]1CC(c2ccc(C)cc2)=NO1)C(=O)c1cccs1 ZINC000006764839 258044306 /nfs/dbraw/zinc/04/43/06/258044306.db2.gz WEWWGZAWXRJNMF-INIZCTEOSA-N 0 0 340.448 3.878 50 30 EHEARN O=C(CS(=O)(=O)[C@H]1CCCc2ccccc21)NC(C1CC1)C1CC1 ZINC000330031787 258003070 /nfs/dbraw/zinc/00/30/70/258003070.db2.gz DHYCIERGVGVHOK-KRWDZBQOSA-N 0 0 347.480 3.624 50 30 EHEARN C=CCN(CCc1ccco1)C(=O)c1cccc(Br)c1 ZINC000095995472 258012530 /nfs/dbraw/zinc/01/25/30/258012530.db2.gz XANFAJHXRNOASD-UHFFFAOYSA-N 0 0 334.213 3.913 50 30 EHEARN C=CCN(Cc1ccccc1)C(=O)CCCc1nc(C(C)C)no1 ZINC000046746417 258015473 /nfs/dbraw/zinc/01/54/73/258015473.db2.gz PVOLJMBJGUVKSH-UHFFFAOYSA-N 0 0 327.428 3.731 50 30 EHEARN CC(=O)O[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@]2(C)CCC(=O)C=C12 ZINC000257346256 258073652 /nfs/dbraw/zinc/07/36/52/258073652.db2.gz WGJULUODXUVWJZ-BCOIYHAWSA-N 0 0 344.451 3.629 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000155658115 533393663 /nfs/dbraw/zinc/39/36/63/533393663.db2.gz VSNRDTCLLDLAGY-UFBFGSQYSA-N 0 0 335.276 3.512 50 30 EHEARN N#Cc1nc(-c2ccccc2F)oc1N1CCN(c2ccccc2)CC1 ZINC000000467612 135651206 /nfs/dbraw/zinc/65/12/06/135651206.db2.gz PLRXARKSYWFDFF-UHFFFAOYSA-N 0 0 348.381 3.679 50 30 EHEARN C#CCOc1ccccc1NC(=O)N1CCC[C@H](OCCC)CC1 ZINC000188082362 518335902 /nfs/dbraw/zinc/33/59/02/518335902.db2.gz XFTYONKNSDOMFK-INIZCTEOSA-N 0 0 330.428 3.512 50 30 EHEARN C=C(C)CN(CC)C(=O)CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000014164736 518594441 /nfs/dbraw/zinc/59/44/41/518594441.db2.gz ZPDAGWLGMIEPMI-BQYQJAHWSA-N 0 0 348.497 3.553 50 30 EHEARN C=C(C)COc1cccc(C(=O)N(C)CCCn2nc(C)cc2C)c1 ZINC000055386386 518617705 /nfs/dbraw/zinc/61/77/05/518617705.db2.gz CYYVKSZUVAQRLR-UHFFFAOYSA-N 0 0 341.455 3.617 50 30 EHEARN C=CCNC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(C)C ZINC000022118021 518897552 /nfs/dbraw/zinc/89/75/52/518897552.db2.gz YYFVCIUCJGVTDM-UHFFFAOYSA-N 0 0 347.459 3.740 50 30 EHEARN C=CCn1c(C)nnc1S[C@@H](C)c1nc(-c2cccs2)no1 ZINC000026030260 519174625 /nfs/dbraw/zinc/17/46/25/519174625.db2.gz IMAUYRDTOROUHW-VIFPVBQESA-N 0 0 333.442 3.737 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1C ZINC000193191691 520541362 /nfs/dbraw/zinc/54/13/62/520541362.db2.gz XJVHSJYNHGTMEY-LSDHHAIUSA-N 0 0 335.473 3.641 50 30 EHEARN COCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000041538076 522790575 /nfs/dbraw/zinc/79/05/75/522790575.db2.gz DKMOVRPGVCFIHH-JTQLQIEISA-N 0 0 341.219 3.940 50 30 EHEARN Cc1cc(C)nc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000328594178 524581704 /nfs/dbraw/zinc/58/17/04/524581704.db2.gz WYLFBOKMFFDROV-MRXNPFEDSA-N 0 0 338.411 3.647 50 30 EHEARN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(-c2ccco2)cc1F ZINC000328587738 526210118 /nfs/dbraw/zinc/21/01/18/526210118.db2.gz GIKHHZPANAVZBP-LBPRGKRZSA-N 0 0 345.374 3.550 50 30 EHEARN N#CCCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CCO2 ZINC000004325260 526459201 /nfs/dbraw/zinc/45/92/01/526459201.db2.gz LHANATUUCYEHSE-UHFFFAOYSA-N 0 0 327.409 3.631 50 30 EHEARN N#CCCn1cc(C(=O)Oc2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000003410527 526467235 /nfs/dbraw/zinc/46/72/35/526467235.db2.gz SGAPLZDPEVWCBI-UHFFFAOYSA-N 0 0 335.338 3.822 50 30 EHEARN N#CCCn1cc(C(=O)OCc2ccccc2)c(-c2ccccc2)n1 ZINC000003354155 526467514 /nfs/dbraw/zinc/46/75/14/526467514.db2.gz ZDMNUDWRJVJIGQ-UHFFFAOYSA-N 0 0 331.375 3.821 50 30 EHEARN N#CCc1ccc(OCC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC000071830293 526486356 /nfs/dbraw/zinc/48/63/56/526486356.db2.gz PZAOJJWRVCLWKH-FQEVSTJZSA-N 0 0 349.434 3.670 50 30 EHEARN O=C(CCc1cccnc1)N(CC#Cc1ccccc1)C1CCCC1 ZINC000055182943 526618303 /nfs/dbraw/zinc/61/83/03/526618303.db2.gz MZMOUGFOAPKAAN-UHFFFAOYSA-N 0 0 332.447 3.837 50 30 EHEARN Cc1nc(NC(=O)c2cc3ccccc3cc2OC(F)F)nn1C ZINC000328592939 526973181 /nfs/dbraw/zinc/97/31/81/526973181.db2.gz QSQQKTLBCJZYES-UHFFFAOYSA-N 0 0 332.310 3.514 50 30 EHEARN C[C@H]1CC(=O)C=C(Nc2ccccc2I)C1 ZINC000005587000 564005957 /nfs/dbraw/zinc/00/59/57/564005957.db2.gz BQZFGXYTGFLBCG-SECBINFHSA-N 0 0 327.165 3.586 50 30 EHEARN N#CC1(NC(=O)CCCc2cc(Cl)sc2Cl)CCOCC1 ZINC000087366176 564069341 /nfs/dbraw/zinc/06/93/41/564069341.db2.gz BEHKINSTVHWNNQ-UHFFFAOYSA-N 0 0 347.267 3.567 50 30 EHEARN CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002096238 563422409 /nfs/dbraw/zinc/42/24/09/563422409.db2.gz OVWTXJDOKFSSMR-UHFFFAOYSA-N 0 0 331.187 3.661 50 30 EHEARN O=C(ON=C1CCC2(CC1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000000135463 563240575 /nfs/dbraw/zinc/24/05/75/563240575.db2.gz NMVKPRZHBGWPEJ-UHFFFAOYSA-N 0 0 343.301 3.535 50 30 EHEARN COc1cc(C(=O)C=CNc2cccc(F)c2)cc(OC)c1OC ZINC000000459097 563325485 /nfs/dbraw/zinc/32/54/85/563325485.db2.gz UYUGVBRDVUQELJ-BQYQJAHWSA-N 0 0 331.343 3.660 50 30 EHEARN O=C1C[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000613289 563356032 /nfs/dbraw/zinc/35/60/32/563356032.db2.gz CZGUILBJJRAIJG-DGCLKSJQSA-N 0 0 341.407 3.892 50 30 EHEARN O=C1c2ccccc2C2=NC(=O)S[C@@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000001036764 563369729 /nfs/dbraw/zinc/36/97/29/563369729.db2.gz DPEFFYNBYWHJJP-INIZCTEOSA-N 0 0 338.344 3.700 50 30 EHEARN CCCCCCCOc1ccc(C=NNc2nc(O)cs2)cc1 ZINC000003073057 563471051 /nfs/dbraw/zinc/47/10/51/563471051.db2.gz VLVQPUIWKVUXKX-LDADJPATSA-N 0 0 333.457 3.589 50 30 EHEARN N#Cc1cccc(/C=C/C(=O)N2CCC(Nc3ccccc3)CC2)c1 ZINC000071896599 563494950 /nfs/dbraw/zinc/49/49/50/563494950.db2.gz JIKSZMYHAXKHNF-MDZDMXLPSA-N 0 0 331.419 3.675 50 30 EHEARN COc1ccc(CNC(=S)Nc2cc(OC)ccc2OC)cc1 ZINC000008684798 563635349 /nfs/dbraw/zinc/63/53/49/563635349.db2.gz SSNNVTDHVSNTAE-UHFFFAOYSA-N 0 0 332.425 3.610 50 30 EHEARN C[C@@H]1CCCC[C@H]1/N=C1\NN=C(c2cccc([N+](=O)[O-])c2)CS1 ZINC000012994611 563683064 /nfs/dbraw/zinc/68/30/64/563683064.db2.gz VDGLGMDTHFIVFF-BXUZGUMPSA-N 0 0 332.429 3.570 50 30 EHEARN Cc1c(/N=C/c2c[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000013549894 563701108 /nfs/dbraw/zinc/70/11/08/563701108.db2.gz ARNAILKDEILBEV-LPYMAVHISA-N 0 0 330.391 3.716 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000016971714 563827493 /nfs/dbraw/zinc/82/74/93/563827493.db2.gz NAGKIQZBJSKCBT-OAHLLOKOSA-N 0 0 345.757 3.687 50 30 EHEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000017016512 563828924 /nfs/dbraw/zinc/82/89/24/563828924.db2.gz LKJJVSLQIRGJRO-MRXNPFEDSA-N 0 0 341.794 3.857 50 30 EHEARN CCc1c(O)c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000018009687 563847048 /nfs/dbraw/zinc/84/70/48/563847048.db2.gz FCAXIMLOEHPSKC-HMAPJEAMSA-N 0 0 348.402 3.971 50 30 EHEARN CC(=O)N=C(Nc1ccc2ccccc2c1)Nc1nc(C)cc(C)n1 ZINC000018178215 563850321 /nfs/dbraw/zinc/85/03/21/563850321.db2.gz NTHQMGUXOIODFR-UHFFFAOYSA-N 0 0 333.395 3.673 50 30 EHEARN CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccccc1OC(F)F ZINC000025463485 563885184 /nfs/dbraw/zinc/88/51/84/563885184.db2.gz OTHUAZCYDMGDCR-UHFFFAOYSA-N 0 0 335.350 3.701 50 30 EHEARN C[C@H](C#N)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000072277554 563903667 /nfs/dbraw/zinc/90/36/67/563903667.db2.gz AHUGUSXQKWHAKP-CYBMUJFWSA-N 0 0 328.799 3.662 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1Cl ZINC000071799971 563922167 /nfs/dbraw/zinc/92/21/67/563922167.db2.gz LWEXVCMKNDUYIN-UHFFFAOYSA-N 0 0 334.206 3.944 50 30 EHEARN N#Cc1cc([N+](=O)[O-])c(N2CCC(c3ccccc3)CC2)cc1C#N ZINC000004624263 563933624 /nfs/dbraw/zinc/93/36/24/563933624.db2.gz DDOHXXIARLNKPA-UHFFFAOYSA-N 0 0 332.363 3.722 50 30 EHEARN O=C(/C=C/c1c(F)cccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000058377025 563944215 /nfs/dbraw/zinc/94/42/15/563944215.db2.gz IGGKGQQSEGHTEF-CMDGGOBGSA-N 0 0 329.302 3.818 50 30 EHEARN N#CCCN(C(=O)Nc1ccc(OCc2ccccc2)nc1)C1CC1 ZINC000096434149 563952910 /nfs/dbraw/zinc/95/29/10/563952910.db2.gz UGXBKUIDFDYTAM-UHFFFAOYSA-N 0 0 336.395 3.571 50 30 EHEARN CCOc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1F ZINC000096474133 563954878 /nfs/dbraw/zinc/95/48/78/563954878.db2.gz PIAOVQAHLPCEAY-UHFFFAOYSA-N 0 0 342.374 3.567 50 30 EHEARN O=S(=O)(OCC(F)(F)C(F)F)c1cc(Cl)sc1Cl ZINC000060561916 563965879 /nfs/dbraw/zinc/96/58/79/563965879.db2.gz KGYATSSPRFVXEG-UHFFFAOYSA-N 0 0 347.138 3.661 50 30 EHEARN N#Cc1c(N)nc(-c2ccc(N3CCCCC3)cc2)cc1[C@H]1CCOC1 ZINC000071639383 563966489 /nfs/dbraw/zinc/96/64/89/563966489.db2.gz LSZBWIWPUPQUGJ-INIZCTEOSA-N 0 0 348.450 3.697 50 30 EHEARN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000014093416 563983182 /nfs/dbraw/zinc/98/31/82/563983182.db2.gz PSXMFJVVTBEVSE-SFHVURJKSA-N 0 0 339.826 3.987 50 30 EHEARN CCC(=O)c1ccc(OCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000014109603 563983235 /nfs/dbraw/zinc/98/32/35/563983235.db2.gz QUDLGVYMELWWBY-UHFFFAOYSA-N 0 0 342.420 3.847 50 30 EHEARN COc1cc(C#N)ccc1CN[C@@H](c1nccs1)c1ccccc1 ZINC000158084178 563983708 /nfs/dbraw/zinc/98/37/08/563983708.db2.gz MPZQBXZDUQIYLI-GOSISDBHSA-N 0 0 335.432 3.903 50 30 EHEARN N#CCN(Cc1cccc(Br)c1)C1CCSCC1 ZINC000408516296 563992851 /nfs/dbraw/zinc/99/28/51/563992851.db2.gz SPVFUKWYDFWIES-UHFFFAOYSA-N 0 0 325.275 3.670 50 30 EHEARN CC#CC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 ZINC000408515943 563993041 /nfs/dbraw/zinc/99/30/41/563993041.db2.gz YQNYCUVJSTUOKL-UHFFFAOYSA-N 0 0 346.386 3.784 50 30 EHEARN CC1CCN(CN2c3ccccc3C(=Nc3ccccc3)C2=O)CC1 ZINC000252630703 563998015 /nfs/dbraw/zinc/99/80/15/563998015.db2.gz VDQYHWZTJISQLS-UHFFFAOYSA-N 0 0 333.435 3.843 50 30 EHEARN N#CCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000000442649 563999615 /nfs/dbraw/zinc/99/96/15/563999615.db2.gz ZNQHVRRTOPWMLZ-UHFFFAOYSA-N 0 0 326.208 3.893 50 30 EHEARN O=C(OCC#CCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005604172 564006342 /nfs/dbraw/zinc/00/63/42/564006342.db2.gz OLZVBKXPGHKRDJ-UHFFFAOYSA-N 0 0 327.361 3.547 50 30 EHEARN N#Cc1ccc(OCC(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005617521 564006469 /nfs/dbraw/zinc/00/64/69/564006469.db2.gz QWPARQGYTLJMCC-UHFFFAOYSA-N 0 0 338.451 3.660 50 30 EHEARN C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc1 ZINC000005797292 564014275 /nfs/dbraw/zinc/01/42/75/564014275.db2.gz PEYFSXVHHADOHS-AQTBWJFISA-N 0 0 348.427 3.899 50 30 EHEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)CCC ZINC000100874379 564017019 /nfs/dbraw/zinc/01/70/19/564017019.db2.gz WOAGRWJYBACTJM-PEZBUJJGSA-N 0 0 339.258 3.879 50 30 EHEARN Cc1ccc(OCc2nc(C#N)c(N3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000018120692 564018248 /nfs/dbraw/zinc/01/82/48/564018248.db2.gz XWWRPRWNRIQLBK-GASCZTMLSA-N 0 0 325.412 3.916 50 30 EHEARN N#Cc1c(NC(=O)COc2ccccc2)sc2c1CCCCC2 ZINC000000509987 564019939 /nfs/dbraw/zinc/01/99/39/564019939.db2.gz FVYTVHLQRQGHIJ-UHFFFAOYSA-N 0 0 326.421 3.906 50 30 EHEARN COc1ccc(OC)c(NC=CC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000102965191 564021011 /nfs/dbraw/zinc/02/10/11/564021011.db2.gz SWDYEVXRGXVNCT-KTKRTIGZSA-N 0 0 343.379 3.530 50 30 EHEARN Cc1nc(SCc2nc(N)c3ccccc3n2)c(C#N)c(C)c1C ZINC000018335875 564024179 /nfs/dbraw/zinc/02/41/79/564024179.db2.gz HQDZAQYGYCWODH-UHFFFAOYSA-N 0 0 335.436 3.696 50 30 EHEARN N#Cc1c(COC(=O)CSc2ccc(F)cc2)cn2ccccc12 ZINC000014852737 564024996 /nfs/dbraw/zinc/02/49/96/564024996.db2.gz OYJFPQRHHKIYTD-UHFFFAOYSA-N 0 0 340.379 3.786 50 30 EHEARN C=CCCC(=O)N1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC000107050234 564026788 /nfs/dbraw/zinc/02/67/88/564026788.db2.gz IGRYUUATXRLVBY-DZVNLGKHSA-N 0 0 334.504 3.663 50 30 EHEARN COc1ccc(Oc2ccc(CNc3ncccc3C#N)cn2)cc1 ZINC000044976359 564028006 /nfs/dbraw/zinc/02/80/06/564028006.db2.gz GVZTYYNGKITLMY-UHFFFAOYSA-N 0 0 332.363 3.761 50 30 EHEARN O=C(N=C(NCc1ccccn1)Nc1ccccc1)c1ccc(F)cc1 ZINC000046125185 564029609 /nfs/dbraw/zinc/02/96/09/564029609.db2.gz QJXPWLLPLKDJKP-UHFFFAOYSA-N 0 0 348.381 3.619 50 30 EHEARN COC(=O)c1ccc([C@@H](C)Sc2nc3c(c(C)c2C#N)CCC3)o1 ZINC000048345240 564031311 /nfs/dbraw/zinc/03/13/11/564031311.db2.gz GNBIWDUWBNCGIZ-LLVKDONJSA-N 0 0 342.420 3.983 50 30 EHEARN N#Cc1ccc(NCC(=O)NCCc2cccc(Cl)c2)cc1Cl ZINC000024778593 564033716 /nfs/dbraw/zinc/03/37/16/564033716.db2.gz PDCIAVGMGQTAPG-UHFFFAOYSA-N 0 0 348.233 3.636 50 30 EHEARN C=CCC[C@@H](C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000071405095 564063762 /nfs/dbraw/zinc/06/37/62/564063762.db2.gz PFOFIDOUFVILPU-SFHVURJKSA-N 0 0 328.433 3.986 50 30 EHEARN N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1 ZINC000001411748 564065444 /nfs/dbraw/zinc/06/54/44/564065444.db2.gz GIQVLESNQHJXFC-UHFFFAOYSA-N 0 0 349.321 3.795 50 30 EHEARN C=C(C)COc1cccc(NC(=O)N2CCOC3(CCCC3)C2)c1 ZINC000096138384 564066514 /nfs/dbraw/zinc/06/65/14/564066514.db2.gz NJORLSZBMNZQDZ-UHFFFAOYSA-N 0 0 330.428 3.818 50 30 EHEARN N#Cc1c(F)cccc1NCCNc1ncc(Cl)cc1Cl ZINC000084339099 564067839 /nfs/dbraw/zinc/06/78/39/564067839.db2.gz AYXYLKADRRHUMV-UHFFFAOYSA-N 0 0 325.174 3.923 50 30 EHEARN C=CCn1c(C)nnc1Sc1ncnc2sc3c(c21)CCCC3 ZINC000014162152 564074119 /nfs/dbraw/zinc/07/41/19/564074119.db2.gz GCZKXWRCNBWCJX-UHFFFAOYSA-N 0 0 343.481 3.807 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)SC1=S ZINC000016692870 564074443 /nfs/dbraw/zinc/07/44/43/564074443.db2.gz OEDUYTFUAWNZIG-PTNGSMBKSA-N 0 0 349.477 3.871 50 30 EHEARN COc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)c(OC)c1 ZINC000085877486 564075138 /nfs/dbraw/zinc/07/51/38/564075138.db2.gz LLZIZOPPGQQJQL-AUWJEWJLSA-N 0 0 340.375 3.543 50 30 biogenic EHEARN N#Cc1cc(NCC(=O)N2CCSc3ccccc32)ccc1Cl ZINC000012933994 564079089 /nfs/dbraw/zinc/07/90/89/564079089.db2.gz HTMBLTNTQIDFMB-UHFFFAOYSA-N 0 0 343.839 3.762 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nc(C)c(C)s1 ZINC000074919263 564079610 /nfs/dbraw/zinc/07/96/10/564079610.db2.gz NPTWBIULNATTCC-UHFFFAOYSA-N 0 0 340.452 3.529 50 30 EHEARN N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccnc1 ZINC000075262323 564081268 /nfs/dbraw/zinc/08/12/68/564081268.db2.gz JMUBASAFARRKDU-UHEPKEFZSA-N 0 0 331.419 3.614 50 30 EHEARN O[C@@H](C#Cc1ccccc1)c1ccccc1[C@H](O)C#Cc1ccccc1 ZINC000075278904 564081417 /nfs/dbraw/zinc/08/14/17/564081417.db2.gz DXQRJFBELMSSGG-PSWAGMNNSA-N 0 0 338.406 3.857 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccc(Cl)cc2o1 ZINC000006399518 564085532 /nfs/dbraw/zinc/08/55/32/564085532.db2.gz KAMZIODZKOPCLL-HNNXBMFYSA-N 0 0 337.832 3.628 50 30 EHEARN CCCCCCCN1c2ccccc2C(=C2SC(=O)NC2=O)C1=O ZINC000001808260 564087870 /nfs/dbraw/zinc/08/78/70/564087870.db2.gz PYFFEXJOSFNURY-PFONDFGASA-N 0 0 344.436 3.698 50 30 EHEARN C=CCc1cccc(C=NN2C(=S)N=NC2c2ccccc2)c1O ZINC000239174044 564088009 /nfs/dbraw/zinc/08/80/09/564088009.db2.gz PEMIHEDWSNAPDD-UHFFFAOYSA-N 0 0 336.420 3.550 50 30 EHEARN CCOc1cc(/C=C/C(=O)c2cn(C)nc2C)ccc1OC(F)F ZINC000006487516 564090174 /nfs/dbraw/zinc/09/01/74/564090174.db2.gz HXILXGHDSWCERX-FNORWQNLSA-N 0 0 336.338 3.625 50 30 EHEARN C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000064667779 564095013 /nfs/dbraw/zinc/09/50/13/564095013.db2.gz CNNWZFCHPQEMHL-TVQRCGJNSA-N 0 0 329.787 3.601 50 30 EHEARN N#Cc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000006703823 564096208 /nfs/dbraw/zinc/09/62/08/564096208.db2.gz YBANAOYKCNVEJY-UHFFFAOYSA-N 0 0 342.811 3.819 50 30 EHEARN N#Cc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1Cl ZINC000006887152 564100737 /nfs/dbraw/zinc/10/07/37/564100737.db2.gz VRAPYAKJZJKMSV-UHFFFAOYSA-N 0 0 334.803 3.664 50 30 EHEARN C[C@@H](C#N)Sc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000006993192 564102722 /nfs/dbraw/zinc/10/27/22/564102722.db2.gz IQUVTRZJJWAVML-LBPRGKRZSA-N 0 0 326.450 3.924 50 30 EHEARN N#Cc1cccc(-c2cn3c(n2)N(C(=O)c2ccsc2)CCC3)c1 ZINC000065259574 564103603 /nfs/dbraw/zinc/10/36/03/564103603.db2.gz FQGYOYPTHMCDFW-UHFFFAOYSA-N 0 0 334.404 3.534 50 30 EHEARN C[C@H](NC(=O)CSc1ncccc1C#N)c1cc2ccccc2o1 ZINC000007052567 564103882 /nfs/dbraw/zinc/10/38/82/564103882.db2.gz BSGLHFPXZZRLQD-LBPRGKRZSA-N 0 0 337.404 3.669 50 30 EHEARN Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)cc2s1 ZINC000007242105 564105923 /nfs/dbraw/zinc/10/59/23/564105923.db2.gz GQFITIUQXNJYFK-NSHDSACASA-N 0 0 336.420 3.916 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2cccs2)C1 ZINC000007543160 564110236 /nfs/dbraw/zinc/11/02/36/564110236.db2.gz BKFXJHVILUVHHY-CQSZACIVSA-N 0 0 337.448 3.800 50 30 EHEARN C/C=C/c1ccc(OCC(=O)Nc2sccc2C#N)c(OC)c1 ZINC000014626502 564112544 /nfs/dbraw/zinc/11/25/44/564112544.db2.gz PGJYQDYYUJROKK-ONEGZZNKSA-N 0 0 328.393 3.679 50 30 EHEARN N#Cc1ccncc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000089782885 564113739 /nfs/dbraw/zinc/11/37/39/564113739.db2.gz MFOIKLYFLMQNGF-SFHVURJKSA-N 0 0 327.815 3.557 50 30 EHEARN N#Cc1c(NC(=O)c2cc3ccccc3oc2=N)sc2c1CCCC2 ZINC000017072566 564116307 /nfs/dbraw/zinc/11/63/07/564116307.db2.gz XJVPPWJKTVDBCI-UHFFFAOYSA-N 0 0 349.415 3.977 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)NC(C)(C)C ZINC000006730417 564117459 /nfs/dbraw/zinc/11/74/59/564117459.db2.gz AJRFINSYDWSOLS-UHFFFAOYSA-N 0 0 328.416 3.541 50 30 EHEARN C#CCOc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000006746995 564117506 /nfs/dbraw/zinc/11/75/06/564117506.db2.gz FYUVMHRMEWPQJH-UHFFFAOYSA-N 0 0 330.181 3.713 50 30 EHEARN COc1ccc(C(=O)N(C)C2(C#N)CCC2)c(OC2CCCC2)c1 ZINC000195580413 564123975 /nfs/dbraw/zinc/12/39/75/564123975.db2.gz OLMMHMUVIAQCIX-UHFFFAOYSA-N 0 0 328.412 3.535 50 30 EHEARN N#Cc1cccc(CC(=O)c2ccc(I)cc2)c1 ZINC000002393050 564134464 /nfs/dbraw/zinc/13/44/64/564134464.db2.gz NZLFMALWMSEJAH-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012577082 564135312 /nfs/dbraw/zinc/13/53/12/564135312.db2.gz WBGAWSMVHFSMJO-TZZQJPOUSA-N 0 0 342.402 3.811 50 30 EHEARN CCSCc1ccccc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000328588032 564136582 /nfs/dbraw/zinc/13/65/82/564136582.db2.gz MJSNYOFNXPPLDH-QZTJIDSGSA-N 0 0 327.449 3.903 50 30 EHEARN CCOc1cccc2[nH]cc(CC(=O)NCCO[C@@H]3CCCCO3)c21 ZINC000328592110 564136727 /nfs/dbraw/zinc/13/67/27/564136727.db2.gz PUVFKKOYRZNQQA-GOSISDBHSA-N 0 0 346.427 3.609 50 30 EHEARN CC(C)(C)OC(=O)NCCC(=O)NCc1nc2cc(F)ccc2o1 ZINC000328593567 564136755 /nfs/dbraw/zinc/13/67/55/564136755.db2.gz JZHVZEONAXOXSR-UHFFFAOYSA-N 0 0 337.351 3.543 50 30 EHEARN C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N(C)CCC#N ZINC000079030662 564137724 /nfs/dbraw/zinc/13/77/24/564137724.db2.gz OSZZAFOSMIBXRQ-HNNXBMFYSA-N 0 0 348.406 3.523 50 30 EHEARN CN(CCC#N)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000278415893 564138363 /nfs/dbraw/zinc/13/83/63/564138363.db2.gz ZSUGQYJVIDYHHZ-NSHDSACASA-N 0 0 337.704 3.638 50 30 EHEARN C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000390834063 564138886 /nfs/dbraw/zinc/13/88/86/564138886.db2.gz RDFYLBNXLVMIHA-UHFFFAOYSA-N 0 0 336.435 3.607 50 30 EHEARN N#C[C@@H](NC(=O)CCCc1ccccn1)c1c(F)cccc1Cl ZINC000095396515 564139476 /nfs/dbraw/zinc/13/94/76/564139476.db2.gz OXJDPCSKMVCVLV-OAHLLOKOSA-N 0 0 331.778 3.578 50 30 EHEARN O=C(Cn1ccc2ccc(Cl)cc21)Nc1n[nH]c([C@H]2CCCO2)n1 ZINC000095477107 564141465 /nfs/dbraw/zinc/14/14/65/564141465.db2.gz BPCPLLGRGLLGHI-CYBMUJFWSA-N 0 0 345.790 3.553 50 30 EHEARN CC(=O)Nc1cc(C(=O)OC2(C#N)CCCC2)cc(C(F)(F)F)c1 ZINC000095997373 564144319 /nfs/dbraw/zinc/14/43/19/564144319.db2.gz NBXLUOKQJQBJBL-UHFFFAOYSA-N 0 0 340.301 3.657 50 30 EHEARN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000096004346 564144495 /nfs/dbraw/zinc/14/44/95/564144495.db2.gz GTUHVUYOQNOMQJ-WMLDXEAASA-N 0 0 338.423 3.680 50 30 EHEARN Cc1nc(COc2ccc(/C=C\C(=O)c3cccs3)cc2)no1 ZINC000096310926 564146704 /nfs/dbraw/zinc/14/67/04/564146704.db2.gz QKFNEZMSWVRYRR-TWGQIWQCSA-N 0 0 326.377 3.915 50 30 EHEARN C[NH+](C)[C@H](CNc1oc(-c2ccccc2F)nc1C#N)c1ccco1 ZINC000027988548 564149924 /nfs/dbraw/zinc/14/99/24/564149924.db2.gz XAGZNBYMNPTYBZ-OAHLLOKOSA-N 0 0 340.358 3.660 50 30 EHEARN CC(C)(C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1cccnc1 ZINC000351028482 564151102 /nfs/dbraw/zinc/15/11/02/564151102.db2.gz PEFMIILBNIWRAT-UHFFFAOYSA-N 0 0 348.431 3.993 50 30 EHEARN CC[C@@H](C)Nc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N ZINC000008326055 564164458 /nfs/dbraw/zinc/16/44/58/564164458.db2.gz ZCJPPLZYBORCIL-YPUOHESYSA-N 0 0 327.384 3.944 50 30 EHEARN C=CCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1 ZINC000008938138 564168036 /nfs/dbraw/zinc/16/80/36/564168036.db2.gz QLRZYOQJRMRKCJ-UHFFFAOYSA-N 0 0 338.885 3.934 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)CCc1cccc(Cl)c1 ZINC000069489180 564169890 /nfs/dbraw/zinc/16/98/90/564169890.db2.gz HRHBJMUDCJMQKN-UHFFFAOYSA-N 0 0 327.815 3.610 50 30 EHEARN Cc1cnc(CCNC(=O)c2ccccc2-c2ccccc2C#N)s1 ZINC000069709086 564171727 /nfs/dbraw/zinc/17/17/27/564171727.db2.gz TYWSFGVFQGIDAD-UHFFFAOYSA-N 0 0 347.443 3.963 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069737770 564171798 /nfs/dbraw/zinc/17/17/98/564171798.db2.gz PJMIQPJBBJQNAW-KBPBESRZSA-N 0 0 339.361 3.693 50 30 EHEARN Cc1oc(-c2ccco2)nc1CC(=O)N(CCC#N)CC(C)(C)C ZINC000069743662 564171944 /nfs/dbraw/zinc/17/19/44/564171944.db2.gz OQONJRCHSSMSLL-UHFFFAOYSA-N 0 0 329.400 3.574 50 30 EHEARN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1ccccn1 ZINC000069744336 564171967 /nfs/dbraw/zinc/17/19/67/564171967.db2.gz WPFTXERAYGFMQS-ILXRZTDVSA-N 0 0 341.208 3.824 50 30 EHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c1C ZINC000096843708 1021141157 /nfs/dbraw/zinc/14/11/57/1021141157.db2.gz IBOBISBIKFTMCT-KTKRTIGZSA-N 0 0 342.351 3.613 50 30 EHEARN CCC/C(=N\OCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000102718363 1034418768 /nfs/dbraw/zinc/41/87/68/1034418768.db2.gz NMHGOXYVOKDNHF-BYEPPCQKSA-N 0 0 327.490 3.875 50 30 EHEARN COc1cc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)ccc1O ZINC000096930381 1039545394 /nfs/dbraw/zinc/54/53/94/1039545394.db2.gz GSZFKASXQMCIDJ-ALCCZGGFSA-N 0 0 328.393 3.623 50 30 EHEARN C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)nc2)CCC1(F)F ZINC000329853486 1040766366 /nfs/dbraw/zinc/76/63/66/1040766366.db2.gz SCALGNCLZYBDPH-GFCCVEGCSA-N 0 0 339.386 3.926 50 30 EHEARN N#C[C@]1(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC12CCCC2 ZINC000333095636 1041724228 /nfs/dbraw/zinc/72/42/28/1041724228.db2.gz PCNZJQUKGLHSRM-APWZRJJASA-N 0 0 344.842 3.794 50 30 EHEARN CCCO/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000102965712 1042594872 /nfs/dbraw/zinc/59/48/72/1042594872.db2.gz ITIPHTUWGBSSTE-VLGSPTGOSA-N 0 0 337.828 3.902 50 30 EHEARN COc1cc(/C=C2/COc3ccccc3C2=O)ccc1OC(F)F ZINC000033447510 1125422576 /nfs/dbraw/zinc/42/25/76/1125422576.db2.gz UDIZYYOPWZZAHI-WQLSENKSSA-N 0 0 332.302 3.955 50 30 EHEARN C#CCCC1(CCC(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)N=N1 ZINC000952881314 1137483390 /nfs/dbraw/zinc/48/33/90/1137483390.db2.gz MGCBIIQTHVRMFI-UHFFFAOYSA-N 0 0 335.411 3.745 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O[C@H](C)C#N)cc1)CO2 ZINC000103250519 1139158825 /nfs/dbraw/zinc/15/88/25/1139158825.db2.gz IBHVZEQIPSFPBG-MLJKTZRHSA-N 0 0 335.359 3.645 50 30 EHEARN CC(C)c1nc(CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)cs1 ZINC000054174360 214221415 /nfs/dbraw/zinc/22/14/15/214221415.db2.gz POHCVKBOZIUCST-NSIKDUERSA-N 0 0 338.498 3.799 50 30 EHEARN CC(=O)O[C@H](C#CCN1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055246640 214295565 /nfs/dbraw/zinc/29/55/65/214295565.db2.gz BHQFAKVIHHCRIZ-FGZHOGPDSA-N 0 0 348.446 3.916 50 30 EHEARN C=CCn1cc(CN(C)Cc2cnn(-c3cccc(C)c3)c2)c(C)n1 ZINC000055254781 214297131 /nfs/dbraw/zinc/29/71/31/214297131.db2.gz XAEUUOWBDGYYQG-UHFFFAOYSA-N 0 0 335.455 3.504 50 30 EHEARN C=CCNc1ccccc1C(=O)N(Cc1c(C)nn(C)c1C)C(C)C ZINC000055243107 214293349 /nfs/dbraw/zinc/29/33/49/214293349.db2.gz AZCXGLQYSGHANM-UHFFFAOYSA-N 0 0 340.471 3.686 50 30 EHEARN C=C(C)COc1ccccc1C(=O)N(C)[C@H](C)c1c(C)n[nH]c1C ZINC000055393208 214316874 /nfs/dbraw/zinc/31/68/74/214316874.db2.gz LJPKFCKWMCVIOM-OAHLLOKOSA-N 0 0 327.428 3.815 50 30 EHEARN CCOC(=O)C(C#N)=NNc1ccc2c(c1)c1ccccc1n2CC ZINC000004619257 210232030 /nfs/dbraw/zinc/23/20/30/210232030.db2.gz LFWQDJQRKIVBFN-CJLVFECKSA-N 0 0 334.379 3.669 50 30 EHEARN COc1ccc(/C=C2\CC[C@@H]3[C@H](CCCC34OCCO4)C2=O)cc1 ZINC000004533209 210215180 /nfs/dbraw/zinc/21/51/80/210215180.db2.gz VTTUERHBIOYDLZ-XDZIBMCESA-N 0 0 328.408 3.601 50 30 EHEARN N#CCOC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000004516664 210211419 /nfs/dbraw/zinc/21/14/19/210211419.db2.gz MBZLGTQWQRKHRJ-OUKQBFOZSA-N 0 0 330.343 3.995 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccsc1 ZINC000100300431 219096197 /nfs/dbraw/zinc/09/61/97/219096197.db2.gz JWOISOBDJCDXMW-MRXNPFEDSA-N 0 0 345.464 3.915 50 30 EHEARN CC1(C)CC(=O)C(=CNCCc2ccc(Cl)cc2Cl)C(=O)C1 ZINC000100442137 219099004 /nfs/dbraw/zinc/09/90/04/219099004.db2.gz YFAFNLRFCKGKKT-UHFFFAOYSA-N 0 0 340.250 3.968 50 30 EHEARN COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(OC)c1 ZINC000004470712 210195283 /nfs/dbraw/zinc/19/52/83/210195283.db2.gz VLTFLEBAIZPAMB-MHWRWJLKSA-N 0 0 340.404 3.595 50 30 EHEARN COc1ccc(OC)c(Nc2c(C#N)cnc3ccc(OC)cc32)c1 ZINC000064438782 214785143 /nfs/dbraw/zinc/78/51/43/214785143.db2.gz XFZAIXHDPLPRIP-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN CCC/C(=N/OCC)C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000100691492 219104509 /nfs/dbraw/zinc/10/45/09/219104509.db2.gz NMHGOXYVOKDNHF-BGNIOMNPSA-N 0 0 327.490 3.875 50 30 EHEARN C=CC[C@]1(C#N)C(=S)NC(C)=C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000101084856 219116280 /nfs/dbraw/zinc/11/62/80/219116280.db2.gz SBPOWAVDBDEKSZ-VQIMIIECSA-N 0 0 340.448 3.624 50 30 EHEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1ccccc1F ZINC000004339734 210175703 /nfs/dbraw/zinc/17/57/03/210175703.db2.gz SZCKVQPBGKKEIV-WQRHYEAKSA-N 0 0 339.366 3.743 50 30 EHEARN CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC000048331877 213922424 /nfs/dbraw/zinc/92/24/24/213922424.db2.gz OCLXNHZWGLFVPC-UHFFFAOYSA-N 0 0 336.391 3.708 50 30 EHEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 ZINC000004172239 210138131 /nfs/dbraw/zinc/13/81/31/210138131.db2.gz BJFGNIHQISGXLE-HXUWFJFHSA-N 0 0 333.391 3.608 50 30 EHEARN C[C@@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C#N)c2C1 ZINC000004070068 210111684 /nfs/dbraw/zinc/11/16/84/210111684.db2.gz IKDVRAJXZHKNQP-SNVBAGLBSA-N 0 0 341.392 3.905 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000004033404 210104589 /nfs/dbraw/zinc/10/45/89/210104589.db2.gz YFTRNWVXUVKZMC-KRWDZBQOSA-N 0 0 343.430 3.807 50 30 EHEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(Cc1cccnc1)CC2 ZINC000004004530 210098554 /nfs/dbraw/zinc/09/85/54/210098554.db2.gz FMKIQGACNGIZOV-UHFFFAOYSA-N 0 0 339.402 3.625 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@H](c1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000003901938 210088821 /nfs/dbraw/zinc/08/88/21/210088821.db2.gz RXKQWQWAWGCAQF-OIISXLGYSA-N 0 0 333.403 3.817 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000003901966 210088841 /nfs/dbraw/zinc/08/88/41/210088841.db2.gz ZKJYSYRVQLSDGW-KBAYOESNSA-N 0 0 345.439 3.687 50 30 EHEARN O=[N+]([O-])c1ccc(N=NCc2ccc(C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000003896926 210086657 /nfs/dbraw/zinc/08/66/57/210086657.db2.gz MTWVSSGCVYDILE-OMCISZLKSA-N 0 0 344.205 3.561 50 30 EHEARN Cc1cc(NC(=O)COc2ccccc2C#N)ccc1Br ZINC000003378152 210022701 /nfs/dbraw/zinc/02/27/01/210022701.db2.gz PKMWKAJTWMGFSB-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN Cc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000067282995 215130516 /nfs/dbraw/zinc/13/05/16/215130516.db2.gz UDIVHXDXYLOHHM-GOSISDBHSA-N 0 0 339.370 3.611 50 30 EHEARN C[C@@H](c1cccs1)N(C)C(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000067473163 215150506 /nfs/dbraw/zinc/15/05/06/215150506.db2.gz YJNUYOJEQVDZTB-AWEZNQCLSA-N 0 0 327.449 3.704 50 30 EHEARN Cc1nn(CCC#N)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 ZINC000003199153 209976156 /nfs/dbraw/zinc/97/61/56/209976156.db2.gz XOFPQAZASMPCEX-UHFFFAOYSA-N 0 0 331.301 3.734 50 30 EHEARN Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Cl)=C3Cl)cc1 ZINC000003148853 209971057 /nfs/dbraw/zinc/97/10/57/209971057.db2.gz PRZQXGNYLVCYJF-UHFFFAOYSA-N 0 0 335.142 3.731 50 30 EHEARN COc1ccccc1Oc1ncccc1CNc1ncccc1C#N ZINC000067688712 215184901 /nfs/dbraw/zinc/18/49/01/215184901.db2.gz KUFMZTDWMZVKMZ-UHFFFAOYSA-N 0 0 332.363 3.761 50 30 EHEARN CCc1c(C)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C#N ZINC000002754451 209903162 /nfs/dbraw/zinc/90/31/62/209903162.db2.gz YJMMLUQABABCTK-FNORWQNLSA-N 0 0 340.404 3.871 50 30 EHEARN CCc1c(C)sc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1C#N ZINC000068677657 215326371 /nfs/dbraw/zinc/32/63/71/215326371.db2.gz HRIYEMDIMJPRPG-ZDUSSCGKSA-N 0 0 339.420 3.555 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@H]2c2ccc(F)cc2)C1 ZINC000040267747 213285932 /nfs/dbraw/zinc/28/59/32/213285932.db2.gz QWRCOHYHDCYXKO-KRWDZBQOSA-N 0 0 336.370 3.552 50 30 EHEARN C#CC(CC)(CC)NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000040160253 213276768 /nfs/dbraw/zinc/27/67/68/213276768.db2.gz YNZBACWOXLLONN-UHFFFAOYSA-N 0 0 338.407 3.762 50 30 EHEARN C#Cc1cccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000040040656 213254143 /nfs/dbraw/zinc/25/41/43/213254143.db2.gz WQRHAWBXXBYGGD-CYBMUJFWSA-N 0 0 335.432 3.977 50 30 EHEARN C=CCN1c2ccccc2S/C(=C/C(=O)N(CCC)CCC)C1=O ZINC000037291468 213138817 /nfs/dbraw/zinc/13/88/17/213138817.db2.gz WOWVZMVHXSCLMX-SAPNQHFASA-N 0 0 344.480 3.844 50 30 EHEARN C=CCNc1nc(CSc2ccccn2)c(C(=O)OCC)s1 ZINC000036612039 213101699 /nfs/dbraw/zinc/10/16/99/213101699.db2.gz DERJMADZWSNIDW-UHFFFAOYSA-N 0 0 335.454 3.605 50 30 EHEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(OC(F)F)cc1 ZINC000036611363 213101229 /nfs/dbraw/zinc/10/12/29/213101229.db2.gz UFNAWVDWMXLFMZ-CNHKJKLMSA-N 0 0 348.325 3.811 50 30 EHEARN COc1ccc(/C=C\C(=O)c2cc3ccccc3oc2=O)c(OC)c1 ZINC000033742920 212961167 /nfs/dbraw/zinc/96/11/67/212961167.db2.gz STLPWZWBNCXLLG-NTMALXAHSA-N 0 0 336.343 3.706 50 30 EHEARN Cc1ccc(Cl)cc1-n1c2c(cc(C#N)c1=O)C(=O)CC(C)(C)C2 ZINC000032985413 212885404 /nfs/dbraw/zinc/88/54/04/212885404.db2.gz VEHOIUPBBZOHGP-UHFFFAOYSA-N 0 0 340.810 3.826 50 30 EHEARN N#Cc1cccc(NC(=O)c2nnsc2-c2ccc(Cl)cc2)c1 ZINC000072242940 216082669 /nfs/dbraw/zinc/08/26/69/216082669.db2.gz DVYAGVXNRBUCMB-UHFFFAOYSA-N 0 0 340.795 3.982 50 30 EHEARN N#Cc1cccc(-c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)c1 ZINC000072284506 216114677 /nfs/dbraw/zinc/11/46/77/216114677.db2.gz FKRHLSKWXQXBEU-UHFFFAOYSA-N 0 0 349.349 3.877 50 30 EHEARN O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C1=C(CCCC1=O)O2 ZINC000000246192 209502287 /nfs/dbraw/zinc/50/22/87/209502287.db2.gz PXRHMNRRSKOBEG-UHFFFAOYSA-N 0 0 338.359 3.543 50 30 EHEARN COc1cc(/C=N/c2cc(C)ccc2NC(C)=O)cc(OC)c1OC ZINC000000067027 209398375 /nfs/dbraw/zinc/39/83/75/209398375.db2.gz CLJQBGIUJDSVEK-RGVLZGJSSA-N 0 0 342.395 3.730 50 30 EHEARN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000130542897 223160567 /nfs/dbraw/zinc/16/05/67/223160567.db2.gz DMSFFOUNVCVCLE-NSHDSACASA-N 0 0 327.388 3.900 50 30 EHEARN CNc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000023273031 212366368 /nfs/dbraw/zinc/36/63/68/212366368.db2.gz WRUDKQWWUDAKNP-QPJJXVBHSA-N 0 0 330.315 3.680 50 30 EHEARN N#Cc1ccccc1-c1ccc(CN2CCO[C@@H](c3cccnc3)C2)o1 ZINC000216360704 241186090 /nfs/dbraw/zinc/18/60/90/241186090.db2.gz LVUXUWIUPWKIEW-OAQYLSRUSA-N 0 0 345.402 3.787 50 30 EHEARN CC(C)c1c2c(N)c(C(=O)c3ccccc3)sc2nc(N)c1C#N ZINC000022022909 212271008 /nfs/dbraw/zinc/27/10/08/212271008.db2.gz DBJFDYODZULEPA-UHFFFAOYSA-N 0 0 336.420 3.687 50 30 EHEARN Cc1cc(Cl)c2ncc(C#N)c(NCc3nnc(C4CC4)o3)c2c1 ZINC000225778359 242031154 /nfs/dbraw/zinc/03/11/54/242031154.db2.gz LTGYPQZTQOEODD-UHFFFAOYSA-N 0 0 339.786 3.941 50 30 EHEARN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000021183574 212215357 /nfs/dbraw/zinc/21/53/57/212215357.db2.gz XXOLXFLQCYGSGO-KRWDZBQOSA-N 0 0 346.839 3.641 50 30 EHEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020503873 212141888 /nfs/dbraw/zinc/14/18/88/212141888.db2.gz IAINXXQOEUSHCZ-PDGQHHTCSA-N 0 0 338.407 3.635 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)C)cc1 ZINC000019772399 212064545 /nfs/dbraw/zinc/06/45/45/212064545.db2.gz YEARWLCUQCSXBV-IBGZPJMESA-N 0 0 339.435 3.951 50 30 EHEARN CSc1cccc(NC(=O)c2cn(-c3ccc(C#N)cc3)cn2)c1 ZINC000049006545 213976566 /nfs/dbraw/zinc/97/65/66/213976566.db2.gz UPRAPDJTTWNETG-UHFFFAOYSA-N 0 0 334.404 3.718 50 30 EHEARN N#Cc1cccnc1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000018058117 211978296 /nfs/dbraw/zinc/97/82/96/211978296.db2.gz DOQALCKEQIOKJD-UHFFFAOYSA-N 0 0 341.724 3.544 50 30 EHEARN N#Cc1c(N)nc(SCc2ccncc2)c(C#N)c1-c1cccs1 ZINC000017359843 211968254 /nfs/dbraw/zinc/96/82/54/211968254.db2.gz GZVBMZVUQHYVFH-UHFFFAOYSA-N 0 0 349.444 3.823 50 30 EHEARN Cc1nc(C(=O)N(Cc2cccnc2)c2ccc(F)cc2)ccc1C#N ZINC000079059533 217185366 /nfs/dbraw/zinc/18/53/66/217185366.db2.gz DDOKWULSGZMKPQ-UHFFFAOYSA-N 0 0 346.365 3.643 50 30 EHEARN C=CCN(Cc1ccc(C#N)cc1)C(=O)c1ncoc1-c1ccco1 ZINC000079309582 217207247 /nfs/dbraw/zinc/20/72/47/217207247.db2.gz YALFBOZLUPFZSZ-UHFFFAOYSA-N 0 0 333.347 3.635 50 30 EHEARN CCSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1C(=O)CCCC1=N2 ZINC000013127019 211526365 /nfs/dbraw/zinc/52/63/65/211526365.db2.gz KVIILXGPGQEIOV-HNNXBMFYSA-N 0 0 344.415 3.551 50 30 EHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn(C2CCCCCC2)nn1 ZINC000012089958 211289819 /nfs/dbraw/zinc/28/98/19/211289819.db2.gz GAYUDBOMBKEAIX-NVXWUHKLSA-N 0 0 328.460 3.909 50 30 EHEARN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ncc[nH]1 ZINC000091988686 218099204 /nfs/dbraw/zinc/09/92/04/218099204.db2.gz MLQIPLZIFRFPRQ-UHFFFAOYSA-N 0 0 347.378 3.704 50 30 EHEARN CC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000010339481 211167817 /nfs/dbraw/zinc/16/78/17/211167817.db2.gz LYUGKKGNSPVTED-LJQANCHMSA-N 0 0 346.390 3.948 50 30 EHEARN COc1ccc(/N=C2\S/C(=C\c3ccc(C)o3)C(=O)N2C)cc1 ZINC000009236656 211057555 /nfs/dbraw/zinc/05/75/55/211057555.db2.gz HYHKPGRLOKPGFY-YBKXKOAPSA-N 0 0 328.393 3.830 50 30 EHEARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000095364462 218297312 /nfs/dbraw/zinc/29/73/12/218297312.db2.gz ZOEOREQYJWDDQT-GOSISDBHSA-N 0 0 336.439 3.575 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=S)Nc1ccccc1Cl ZINC000008665014 210978365 /nfs/dbraw/zinc/97/83/65/210978365.db2.gz OTDDGCGPHPGYCH-UHFFFAOYSA-N 0 0 330.844 3.848 50 30 EHEARN CC(C=NN1C(=S)N=NC1c1ccc(F)cc1)=Cc1ccco1 ZINC000005816514 210542710 /nfs/dbraw/zinc/54/27/10/210542710.db2.gz SCWINNPUTGVCOJ-GWNMMOMOSA-N 0 0 328.372 3.903 50 30 EHEARN C=CCNc1nc([S@](=O)Cc2ccc(C)cc2)nc2c1CCCC2 ZINC000005698801 210518810 /nfs/dbraw/zinc/51/88/10/210518810.db2.gz BRNYNVUQJYDAKC-DEOSSOPVSA-N 0 0 341.480 3.570 50 30 EHEARN C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1cnn(C)c1 ZINC000096496101 218873672 /nfs/dbraw/zinc/87/36/72/218873672.db2.gz GSRFBAHDJUNHRD-CQSZACIVSA-N 0 0 346.390 3.575 50 30 EHEARN CCOC(=O)C=C(NN=c1[nH]c2ccccc2s1)C(F)(F)F ZINC000005325171 210439889 /nfs/dbraw/zinc/43/98/89/210439889.db2.gz MLRSLWLUJQYVJE-ZDLGFXPLSA-N 0 0 331.319 3.580 50 30 EHEARN CN(C)C(=O)c1cccc(CSCc2cc(F)ccc2C#N)c1 ZINC000097014562 218914577 /nfs/dbraw/zinc/91/45/77/218914577.db2.gz RAMDADJWYAROFP-UHFFFAOYSA-N 0 0 328.412 3.833 50 30 EHEARN CC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000004954878 210338884 /nfs/dbraw/zinc/33/88/84/210338884.db2.gz HVFHBRLASUMCCI-PPJHHJNZSA-N 0 0 345.399 3.663 50 30 EHEARN CCSC(=O)[C@H]1CNC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000004844325 210297480 /nfs/dbraw/zinc/29/74/80/210297480.db2.gz QKRQYDBGGPRLNH-IRXDYDNUSA-N 0 0 349.455 3.877 50 30 EHEARN Cc1nn(C(C)(C)C)c2c1[C@H](c1ccncc1)C1=C(CCCC1=O)N2 ZINC000004871468 210309888 /nfs/dbraw/zinc/30/98/88/210309888.db2.gz WYTRQSKRRQSYRQ-KRWDZBQOSA-N 0 0 336.439 3.906 50 30 EHEARN N#Cc1ccccc1OCCOCCOc1cccc2cccnc21 ZINC000004869317 210308736 /nfs/dbraw/zinc/30/87/36/210308736.db2.gz OROZLQAUXNHPCB-UHFFFAOYSA-N 0 0 334.375 3.581 50 30 EHEARN C=CCc1cc(C)ccc1OCCCC(C(=O)OCC)C(=O)OCC ZINC000004845161 210297039 /nfs/dbraw/zinc/29/70/39/210297039.db2.gz ZMUJPJSOBZOCPR-UHFFFAOYSA-N 0 0 348.439 3.625 50 30 EHEARN N#Cc1ccc(OCc2cccc(I)c2)cc1 ZINC000004825435 210289792 /nfs/dbraw/zinc/28/97/92/210289792.db2.gz JGSNSIDIWLYVFL-UHFFFAOYSA-N 0 0 335.144 3.742 50 30 EHEARN C=CC(=O)N1CCC(C(=O)NCCCCC)(c2ccccc2)CC1 ZINC000328597241 258041878 /nfs/dbraw/zinc/04/18/78/258041878.db2.gz GEOILEQVTQCGNJ-UHFFFAOYSA-N 0 0 328.456 3.880 50 30 EHEARN Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328595741 258042309 /nfs/dbraw/zinc/04/23/09/258042309.db2.gz CWZLBUZTPNEZFE-MJGOQNOKSA-N 0 0 337.423 3.950 50 30 EHEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H]5O[C@@]5(O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253500044 257999129 /nfs/dbraw/zinc/99/91/29/257999129.db2.gz VDWPXFJLZWNCAR-LROSQUFUSA-N 0 0 346.467 3.578 50 30 biogenic EHEARN CCCN(C(=O)c1c(C)nn(C)c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000330033091 258001857 /nfs/dbraw/zinc/00/18/57/258001857.db2.gz WHZXLLKPQXIQNM-HNNXBMFYSA-N 0 0 342.443 3.566 50 30 EHEARN C=CCn1c(S[C@@H](C)c2nnc(C)s2)nnc1-c1ccccn1 ZINC000241587963 258005311 /nfs/dbraw/zinc/00/53/11/258005311.db2.gz OYLIINFSQNUTQG-JTQLQIEISA-N 0 0 344.469 3.539 50 30 EHEARN N#CCC[C@@H](C#N)CSc1nnc(Nc2ccc(F)cc2)s1 ZINC000032814727 258058388 /nfs/dbraw/zinc/05/83/88/258058388.db2.gz QJGJMNXQZCAJNR-JTQLQIEISA-N 0 0 333.417 3.956 50 30 EHEARN C=CCN(CC=C)C(=O)c1cccc(CSc2nccn2C)c1 ZINC000031851618 518768894 /nfs/dbraw/zinc/76/88/94/518768894.db2.gz WIGNGNVWZVVBHN-UHFFFAOYSA-N 0 0 327.453 3.527 50 30 EHEARN C=CCOc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1 ZINC000096288903 519015596 /nfs/dbraw/zinc/01/55/96/519015596.db2.gz IYBRBXHKCPHLJO-FOWTUZBSSA-N 0 0 328.437 3.754 50 30 EHEARN C=CCc1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1 ZINC000014734724 519136115 /nfs/dbraw/zinc/13/61/15/519136115.db2.gz WKNFKLRCYJRPPZ-UHFFFAOYSA-N 0 0 339.391 3.644 50 30 EHEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccccn1 ZINC000000527052 519244438 /nfs/dbraw/zinc/24/44/38/519244438.db2.gz CMYVRKAHSLZZKX-UHFFFAOYSA-N 0 0 326.400 3.958 50 30 EHEARN CC(=O)O[C@H](C#CCN1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000252430629 519757885 /nfs/dbraw/zinc/75/78/85/519757885.db2.gz BHQFAKVIHHCRIZ-FCHUYYIVSA-N 0 0 348.446 3.916 50 30 EHEARN CCc1ccccc1N=C1c2c(cccc2[N+](=O)[O-])C(=O)[C@H]1C(C)=O ZINC000252623831 521858051 /nfs/dbraw/zinc/85/80/51/521858051.db2.gz PAGUEJMIVOWZAG-INIZCTEOSA-N 0 0 336.347 3.680 50 30 EHEARN COc1ccccc1NCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000012511434 524634626 /nfs/dbraw/zinc/63/46/26/524634626.db2.gz NYGUHRBARFGTLU-MOSHPQCFSA-N 0 0 336.435 3.988 50 30 EHEARN Cc1ccc(Cl)c(OCC(=O)Nc2ccc(OCC#N)cc2)c1 ZINC000023149689 524710948 /nfs/dbraw/zinc/71/09/48/524710948.db2.gz RLKIZXKIUWJHKZ-UHFFFAOYSA-N 0 0 330.771 3.568 50 30 EHEARN COc1cccc(C(=O)/C=C/c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000006490769 525780242 /nfs/dbraw/zinc/78/02/42/525780242.db2.gz YUEMWXDNICSICU-VQHVLOKHSA-N 0 0 348.402 3.845 50 30 EHEARN CC(C)(C)c1csc(C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000181786202 526830038 /nfs/dbraw/zinc/83/00/38/526830038.db2.gz ULRZIKUUTLPTBY-UHFFFAOYSA-N 0 0 342.468 3.660 50 30 EHEARN O=C1N=C(NN=Cc2cccs2)S[C@@H]1Cc1ccc(Cl)cc1 ZINC000018209265 527045085 /nfs/dbraw/zinc/04/50/85/527045085.db2.gz GHTDLZBRFWMOMW-LFMVTYOGSA-N 0 0 349.868 3.566 50 30 EHEARN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1cccs1 ZINC000008533581 564165604 /nfs/dbraw/zinc/16/56/04/564165604.db2.gz DYYOUXRENYIHKT-LLVKDONJSA-N 0 0 333.844 3.732 50 30 EHEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1C1CCCCC1 ZINC000000034332 563211798 /nfs/dbraw/zinc/21/17/98/563211798.db2.gz FOYWKWLNIFGTDK-OAHLLOKOSA-N 0 0 347.455 3.590 50 30 EHEARN Cc1cc(C)c2c(n1)sc1c2ncn(/N=C/c2cccs2)c1=O ZINC000000159426 563248520 /nfs/dbraw/zinc/24/85/20/563248520.db2.gz QBTNLRQFMFICQS-CNHKJKLMSA-N 0 0 340.433 3.567 50 30 EHEARN COc1ccc(/N=C/c2cc(Br)ccc2O)cc1OC ZINC000000219998 563262241 /nfs/dbraw/zinc/26/22/41/563262241.db2.gz HSOZVTJPNNNVPA-RQZCQDPDSA-N 0 0 336.185 3.923 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000000406038 563306581 /nfs/dbraw/zinc/30/65/81/563306581.db2.gz WQILEHOWELHMKE-QGZVFWFLSA-N 0 0 343.398 3.603 50 30 EHEARN O=S(=O)(N/N=C/c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000000442008 563314180 /nfs/dbraw/zinc/31/41/80/563314180.db2.gz HRQHHVNXDFUAPB-XDHOZWIPSA-N 0 0 344.823 3.806 50 30 EHEARN COc1ccccc1N1CCN(/N=C\c2cccc(Cl)c2)CC1 ZINC000004892939 563514718 /nfs/dbraw/zinc/51/47/18/563514718.db2.gz CXXRTSRZMBHJJR-ZHZULCJRSA-N 0 0 329.831 3.505 50 30 EHEARN CCc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)cc1 ZINC000006225510 563561708 /nfs/dbraw/zinc/56/17/08/563561708.db2.gz YRFBQDTZMNFUKN-UHFFFAOYSA-N 0 0 344.378 3.614 50 30 EHEARN CC(C)n1c2ccc(C(=O)NC[C@@H](C)C#N)cc2nc1C(F)(F)F ZINC000071908841 563569612 /nfs/dbraw/zinc/56/96/12/563569612.db2.gz HXMVZTKZLXMYBR-JTQLQIEISA-N 0 0 338.333 3.525 50 30 EHEARN CC(C)c1nccn1C[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000071909547 563575135 /nfs/dbraw/zinc/57/51/35/563575135.db2.gz DZFDUMBDMDWAHM-QGZVFWFLSA-N 0 0 337.427 3.575 50 30 EHEARN CCOC(=O)C1(C#N)[C@@H](c2ccccc2)CC(=O)C[C@@H]1c1ccccc1 ZINC000006843449 563588616 /nfs/dbraw/zinc/58/86/16/563588616.db2.gz QRYPXLQVHZQIEK-WOJBJXKFSA-N 0 0 347.414 3.990 50 30 EHEARN N#Cc1ccnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000071918448 563622769 /nfs/dbraw/zinc/62/27/69/563622769.db2.gz KZZFRPDPCAHVFP-SFHVURJKSA-N 0 0 337.448 3.799 50 30 EHEARN CC(=O)C1=C(c2ccc(F)cc2)N(C)C(=S)N[C@@H]1c1ccsc1 ZINC000032665979 563678238 /nfs/dbraw/zinc/67/82/38/563678238.db2.gz RHWLYENFXSNKFP-OAHLLOKOSA-N 0 0 346.452 3.749 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)c(OC)c2c1OCO2 ZINC000015085618 563777638 /nfs/dbraw/zinc/77/76/38/563777638.db2.gz MEJFUTDMLQJCIX-VMPITWQZSA-N 0 0 346.766 3.982 50 30 EHEARN CCc1nc2sc(C(=O)Nc3ccccc3C#N)c(C)c2c(C)n1 ZINC000032903161 563790328 /nfs/dbraw/zinc/79/03/28/563790328.db2.gz VWVYZBVWGAJRRZ-UHFFFAOYSA-N 0 0 336.420 3.995 50 30 EHEARN C[C@@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccccc2)C1 ZINC000016956956 563827303 /nfs/dbraw/zinc/82/73/03/563827303.db2.gz HPHLQXGLDTWYKJ-LKFCYVNXSA-N 0 0 348.328 3.565 50 30 EHEARN CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000013473523 563855160 /nfs/dbraw/zinc/85/51/60/563855160.db2.gz HOQAVGZLYRYHSO-HNNXBMFYSA-N 0 0 342.464 3.657 50 30 in-vitro EHEARN CN1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000032945425 563861839 /nfs/dbraw/zinc/86/18/39/563861839.db2.gz IQMGGVXXZOIZMN-OTYYAQKOSA-N 0 0 325.358 3.946 50 30 EHEARN CC(C)(C(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000072298078 563912666 /nfs/dbraw/zinc/91/26/66/563912666.db2.gz DTPRGFBPXGTWIB-UHFFFAOYSA-N 0 0 347.462 3.621 50 30 EHEARN COc1ccccc1N1CCN(/N=C\C(C)=C\c2ccccc2)CC1 ZINC000032620370 563914180 /nfs/dbraw/zinc/91/41/80/563914180.db2.gz DRDDABBWJWRCMV-XPAFPMRLSA-N 0 0 335.451 3.907 50 30 EHEARN Cc1c(Cl)cccc1-n1c2c(cc(C#N)c1=O)C(=O)CC(C)(C)C2 ZINC000032985411 563920704 /nfs/dbraw/zinc/92/07/04/563920704.db2.gz VTSKFQKOCUJYGX-UHFFFAOYSA-N 0 0 340.810 3.826 50 30 EHEARN CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cc1 ZINC000032996261 563921448 /nfs/dbraw/zinc/92/14/48/563921448.db2.gz RURIPPQCUIUKLG-UHFFFAOYSA-N 0 0 347.378 3.805 50 30 EHEARN COc1cc(C[C@@H](C#N)C(=O)Nc2cccc3ccccc32)ccc1O ZINC000057523356 563935558 /nfs/dbraw/zinc/93/55/58/563935558.db2.gz HAPDHMRYRFWSAV-INIZCTEOSA-N 0 0 346.386 3.875 50 30 EHEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2cc(C)ccc2C)c1 ZINC000057525198 563935725 /nfs/dbraw/zinc/93/57/25/563935725.db2.gz KIHBDUWUHGTQHX-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000096495686 563955720 /nfs/dbraw/zinc/95/57/20/563955720.db2.gz SBLDRXJLGRFSOZ-GFCCVEGCSA-N 0 0 335.367 3.656 50 30 EHEARN CC(=CCc1ccco1)N=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000085395656 563973778 /nfs/dbraw/zinc/97/37/78/563973778.db2.gz YRHWZIFSEFGQCB-IIASEUIPSA-N 0 0 332.367 3.611 50 30 EHEARN N#Cc1cccc(-c2nccn2CCc2cnn(-c3ccccc3)c2)c1 ZINC000071754605 563982973 /nfs/dbraw/zinc/98/29/73/563982973.db2.gz NTSMQIPCZGVWHT-UHFFFAOYSA-N 0 0 339.402 3.850 50 30 EHEARN Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000014386560 563984046 /nfs/dbraw/zinc/98/40/46/563984046.db2.gz LFUBQPWMDPXQEG-MRXNPFEDSA-N 0 0 349.434 3.873 50 30 EHEARN COc1cc(Br)cc(C=Nc2ccc3n[nH]cc3c2)c1O ZINC000000298405 563990749 /nfs/dbraw/zinc/99/07/49/563990749.db2.gz PSFXHLDRANYNDR-REZTVBANSA-N 0 0 346.184 3.790 50 30 EHEARN CCCCCCCC(=O)NCc1cccc(NC(=O)NC2CC2)c1 ZINC000100693290 563994861 /nfs/dbraw/zinc/99/48/61/563994861.db2.gz DSONIWIYKYRPEV-UHFFFAOYSA-N 0 0 331.460 3.947 50 30 EHEARN CCc1ccc(C(C)=NNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252620548 563997975 /nfs/dbraw/zinc/99/79/75/563997975.db2.gz MGJSPRUXETYSFV-UHFFFAOYSA-N 0 0 336.844 3.605 50 30 EHEARN C#CCSc1nc(-c2ccc(F)cc2)n(C(=O)c2cccs2)n1 ZINC000002571092 563998135 /nfs/dbraw/zinc/99/81/35/563998135.db2.gz BZEXNURNNAMDLZ-UHFFFAOYSA-N 0 0 343.408 3.560 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccco1 ZINC000000428054 563998835 /nfs/dbraw/zinc/99/88/35/563998835.db2.gz XNXIPYJNNJMEHL-YJBOKZPZSA-N 0 0 328.339 3.738 50 30 EHEARN Cc1nc(SCC(=O)N[C@H](C)c2cccs2)c(C#N)c(C)c1C ZINC000005172368 563999909 /nfs/dbraw/zinc/99/99/09/563999909.db2.gz IZODVTOBJUWXLG-CYBMUJFWSA-N 0 0 345.493 3.910 50 30 EHEARN COc1ccc2c(c1)c(C=NNc1nc3ccccc3[nH]1)c(C)n2C ZINC000005455820 564004365 /nfs/dbraw/zinc/00/43/65/564004365.db2.gz PHJNKOWGNPGLCE-RGVLZGJSSA-N 0 0 333.395 3.818 50 30 EHEARN N#Cc1ccccc1COC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000005229155 564005866 /nfs/dbraw/zinc/00/58/66/564005866.db2.gz JQFYEZGRAIPLKO-JXMROGBWSA-N 0 0 329.302 3.916 50 30 EHEARN O=C(/C=C/c1ccccc1-n1cncn1)c1ccc(F)c(Cl)c1 ZINC000062581938 564006534 /nfs/dbraw/zinc/00/65/34/564006534.db2.gz CLLKHXPPLZIYBL-SOFGYWHQSA-N 0 0 327.746 3.956 50 30 EHEARN Cc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)c1ccccc1F ZINC000000480241 564014927 /nfs/dbraw/zinc/01/49/27/564014927.db2.gz MNQILLCHEXGAAY-UHFFFAOYSA-N 0 0 332.334 3.523 50 30 EHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1cccs1 ZINC000100909948 564017058 /nfs/dbraw/zinc/01/70/58/564017058.db2.gz MDIAWMSOSLPLMN-ICFOKQHNSA-N 0 0 332.837 3.792 50 30 EHEARN Cc1ccc2[nH]c3c(ncn(/N=C/c4ccc(Cl)cc4)c3=O)c2c1 ZINC000000499550 564018474 /nfs/dbraw/zinc/01/84/74/564018474.db2.gz GBOISMMDDPUQNT-ZVBGSRNCSA-N 0 0 336.782 3.722 50 30 EHEARN O=C1N/C(=N\N=C\c2ccccc2)S[C@@H]1Cc1ccc(Cl)cc1 ZINC000018179118 564018547 /nfs/dbraw/zinc/01/85/47/564018547.db2.gz VROREXPZZUZUQG-SKCQWOFPSA-N 0 0 343.839 3.504 50 30 EHEARN COc1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000101420513 564019439 /nfs/dbraw/zinc/01/94/39/564019439.db2.gz ZVEVMVCAZIXLRO-KTKRTIGZSA-N 0 0 343.379 3.530 50 30 EHEARN C#Cc1cccc(N(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000103102717 564021345 /nfs/dbraw/zinc/02/13/45/564021345.db2.gz CLPRATLYNCHBNO-UHFFFAOYSA-N 0 0 329.403 3.747 50 30 EHEARN N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)N1CCCC1 ZINC000103259641 564021956 /nfs/dbraw/zinc/02/19/56/564021956.db2.gz MRWRRFJUIRSVNM-FQEVSTJZSA-N 0 0 346.430 3.540 50 30 EHEARN COc1ccccc1C=CC(=O)[C@@H](C#N)C(=O)Nc1c(C)cccc1C ZINC000103503943 564022573 /nfs/dbraw/zinc/02/25/73/564022573.db2.gz IRKXBGREUKXQDS-FMQWLBJXSA-N 0 0 348.402 3.673 50 30 EHEARN Cn1ccnc1[C@@H](C(=O)C=Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000104227496 564023776 /nfs/dbraw/zinc/02/37/76/564023776.db2.gz PEWGPYQJWZMMTM-ADYPVZHUSA-N 0 0 348.377 3.808 50 30 EHEARN CCOc1ccc2c(c1)C(=O)/C(=C(/C)NCc1ccncc1)S2 ZINC000110877887 564026175 /nfs/dbraw/zinc/02/61/75/564026175.db2.gz XMXXGNIFVKSDNX-LDADJPATSA-N 0 0 326.421 3.790 50 30 EHEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(S(C)(=O)=O)cc2)c1 ZINC000044844628 564027466 /nfs/dbraw/zinc/02/74/66/564027466.db2.gz PSVPVFGMXQTZLG-ZHACJKMWSA-N 0 0 329.421 3.515 50 30 EHEARN N#Cc1ccc(NCCNc2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000048341762 564031238 /nfs/dbraw/zinc/03/12/38/564031238.db2.gz OYISTZXYRFWGHJ-UHFFFAOYSA-N 0 0 333.351 3.539 50 30 EHEARN N#Cc1ccccc1N1CCCN(Cc2nc3ccccc3s2)CC1 ZINC000048375258 564031689 /nfs/dbraw/zinc/03/16/89/564031689.db2.gz GVPXZOFHOHYTIS-UHFFFAOYSA-N 0 0 348.475 3.880 50 30 EHEARN C/N=C1/S/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N1C ZINC000033294613 564036653 /nfs/dbraw/zinc/03/66/53/564036653.db2.gz ICNBFWCJIPQMLD-CBFHDUEPSA-N 0 0 331.828 3.663 50 30 EHEARN COc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000601147053 564043306 /nfs/dbraw/zinc/04/33/06/564043306.db2.gz DRKXCOVUFTYGCC-UHFFFAOYSA-N 0 0 343.766 3.645 50 30 EHEARN C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CF ZINC000257358511 564055974 /nfs/dbraw/zinc/05/59/74/564055974.db2.gz UXQRVGWQURFJGJ-DGONOLKGSA-N 0 0 348.458 3.644 50 30 EHEARN Cc1c2c(c(C)n1/N=C/c1cc(Cl)ccc1O)c(C)nnc2C ZINC000001307689 564063121 /nfs/dbraw/zinc/06/31/21/564063121.db2.gz DXQGVUDVPWCGCD-UFWORHAWSA-N 0 0 328.803 3.906 50 30 EHEARN C=CCO[C@@H](C)C(=O)N1CCC[C@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000072288544 564063807 /nfs/dbraw/zinc/06/38/07/564063807.db2.gz LCIREXGLPMJFHR-YJBOKZPZSA-N 0 0 339.439 3.640 50 30 EHEARN Cc1oc(C#N)cc1C(=O)Nc1cc(F)cc(Br)c1F ZINC000225531487 564066216 /nfs/dbraw/zinc/06/62/16/564066216.db2.gz CPVCDLRSVFHXTB-UHFFFAOYSA-N 0 0 341.111 3.753 50 30 EHEARN CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(C#N)cc1 ZINC000012780014 564069754 /nfs/dbraw/zinc/06/97/54/564069754.db2.gz RLLYGWMQQFEHAW-MRXNPFEDSA-N 0 0 326.421 3.535 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000005235746 564070582 /nfs/dbraw/zinc/07/05/82/564070582.db2.gz ZXPCHTZDKFFKLR-OAHLLOKOSA-N 0 0 347.418 3.751 50 30 EHEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccn1)Nc1ccccc1-2 ZINC000002073802 564074804 /nfs/dbraw/zinc/07/48/04/564074804.db2.gz HPKWYXUWCHCUMC-INIZCTEOSA-N 0 0 349.419 3.715 50 30 EHEARN Cc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)c(C)c1 ZINC000007712930 564082122 /nfs/dbraw/zinc/08/21/22/564082122.db2.gz YFNGEWZYCXCJEM-FMIVXFBMSA-N 0 0 337.419 3.667 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccco1 ZINC000006206439 564082914 /nfs/dbraw/zinc/08/29/14/564082914.db2.gz PUNHRUPYGDAELG-QFBILLFUSA-N 0 0 340.375 3.608 50 30 EHEARN COc1ccc(-c2nc(C#N)c(N3C[C@H](C)C[C@H](C)C3)o2)cc1OC ZINC000016383508 564084381 /nfs/dbraw/zinc/08/43/81/564084381.db2.gz OZGIMUSAQPATST-BETUJISGSA-N 0 0 341.411 3.713 50 30 EHEARN Cc1csc(C(=O)Nc2ccc(C#N)c(C#N)c2)c1Br ZINC000191426254 564085884 /nfs/dbraw/zinc/08/58/84/564085884.db2.gz GADBDTKOJBTJPC-UHFFFAOYSA-N 0 0 346.209 3.815 50 30 EHEARN N#Cc1ccc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1Cl ZINC000155319025 564086714 /nfs/dbraw/zinc/08/67/14/564086714.db2.gz HSXWPLPULOROMK-INIZCTEOSA-N 0 0 344.798 3.626 50 30 EHEARN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1c1ccccc1 ZINC000239025429 564087989 /nfs/dbraw/zinc/08/79/89/564087989.db2.gz BOZXHBBXDMIVJD-UHFFFAOYSA-N 0 0 332.791 3.909 50 30 EHEARN Cc1csc([C@@H](C#N)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000079014711 564091722 /nfs/dbraw/zinc/09/17/22/564091722.db2.gz IZMDMNTYKOFUEE-HNNXBMFYSA-N 0 0 335.388 3.501 50 30 EHEARN CC(C)[C@@H]1Cc2c(C#N)c(N)n(-c3ccccc3)c(=S)c2CO1 ZINC000006670112 564095762 /nfs/dbraw/zinc/09/57/62/564095762.db2.gz JDKLKFWCKWFXSQ-INIZCTEOSA-N 0 0 325.437 3.758 50 30 EHEARN C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000007222552 564105888 /nfs/dbraw/zinc/10/58/88/564105888.db2.gz QTPKGRVVJMAASF-LLVKDONJSA-N 0 0 344.212 3.760 50 30 EHEARN N#C[C@H](C(=O)C1=Cc2ccccc2OC1)c1ccc(C(F)(F)F)cn1 ZINC000065519321 564106843 /nfs/dbraw/zinc/10/68/43/564106843.db2.gz JZXKLPKMJHYVKI-AWEZNQCLSA-N 0 0 344.292 3.753 50 30 EHEARN COc1cc(/C=C2\C(=O)c3c(c(F)ccc3O)[C@@H]2C)cc(OC)c1 ZINC000007333225 564106962 /nfs/dbraw/zinc/10/69/62/564106962.db2.gz ZDUKGVORNXISDR-DOQDJBIESA-N 0 0 328.339 3.932 50 30 EHEARN CCOc1cccc([C@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000065587460 564107778 /nfs/dbraw/zinc/10/77/78/564107778.db2.gz SWFYQYZUUPPIIF-HNNXBMFYSA-N 0 0 337.423 3.860 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000065620716 564108424 /nfs/dbraw/zinc/10/84/24/564108424.db2.gz ZCBKBIRHAWDOKD-UHFFFAOYSA-N 0 0 347.340 3.585 50 30 EHEARN N#Cc1ccccc1COc1cccc(C(=O)NC2(C#N)CCCC2)c1 ZINC000065640325 564108625 /nfs/dbraw/zinc/10/86/25/564108625.db2.gz IUFWUNBKMHXFPA-UHFFFAOYSA-N 0 0 345.402 3.703 50 30 EHEARN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CN2Cc3ccccc3C2)cc1 ZINC000089694827 564113157 /nfs/dbraw/zinc/11/31/57/564113157.db2.gz PEXSPFWBMPRKMY-HXUWFJFHSA-N 0 0 347.462 3.681 50 30 EHEARN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1csc(C)n1 ZINC000089709046 564113333 /nfs/dbraw/zinc/11/33/33/564113333.db2.gz ZDDDSELJJATMKZ-CYBMUJFWSA-N 0 0 345.468 3.919 50 30 EHEARN CCc1nc([C@H]2CCCN2Cc2cc(Cl)ccc2OCC#N)no1 ZINC000076016948 564114316 /nfs/dbraw/zinc/11/43/16/564114316.db2.gz WWRUMEGCOPVOOC-CQSZACIVSA-N 0 0 346.818 3.525 50 30 EHEARN CC(=NOCC(=O)NC1CCCCCCC1)c1sc(C)nc1C ZINC000252506498 564119980 /nfs/dbraw/zinc/11/99/80/564119980.db2.gz UAGLOYKXRQVFST-UHFFFAOYSA-N 0 0 337.489 3.730 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000000113623 564132832 /nfs/dbraw/zinc/13/28/32/564132832.db2.gz XUXWXNUYPNDPGI-JTQLQIEISA-N 0 0 341.392 3.905 50 30 EHEARN Cc1ccccc1OC[C@H]1CCCN(C(=O)c2ccccc2C#N)C1 ZINC000077487832 564134291 /nfs/dbraw/zinc/13/42/91/564134291.db2.gz KLWRPUGLZWXCLI-KRWDZBQOSA-N 0 0 334.419 3.798 50 30 EHEARN CCn1cc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)cc1C#N ZINC000077537847 564134303 /nfs/dbraw/zinc/13/43/03/564134303.db2.gz UFIIHNLSJDMOEE-SFHVURJKSA-N 0 0 337.402 3.732 50 30 EHEARN COCCN(CC1CC1)C(=O)c1ccc(-c2ccccc2C#N)cc1 ZINC000426503917 564135069 /nfs/dbraw/zinc/13/50/69/564135069.db2.gz CQCJGBWISVXZEM-UHFFFAOYSA-N 0 0 334.419 3.724 50 30 EHEARN N#Cc1cccc(COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1 ZINC000012799821 564135571 /nfs/dbraw/zinc/13/55/71/564135571.db2.gz PRHJDZJBZPXWLV-UHFFFAOYSA-N 0 0 339.734 3.675 50 30 EHEARN N#Cc1cccc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)n1 ZINC000082116256 564135612 /nfs/dbraw/zinc/13/56/12/564135612.db2.gz IQBLQFLEXHTLAB-GOSISDBHSA-N 0 0 343.434 3.582 50 30 EHEARN N#C[C@@H](COC(=O)c1csc(-c2ccoc2)n1)Cc1ccco1 ZINC000095394114 564139405 /nfs/dbraw/zinc/13/94/05/564139405.db2.gz ZZZIWQKIYQNWEC-NSHDSACASA-N 0 0 328.349 3.535 50 30 EHEARN COc1ccccc1OCC(=O)Nc1ccccc1SCCC#N ZINC000095953525 564142436 /nfs/dbraw/zinc/14/24/36/564142436.db2.gz MTGFBAJOOQGAIW-UHFFFAOYSA-N 0 0 342.420 3.718 50 30 EHEARN C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000281229207 564142681 /nfs/dbraw/zinc/14/26/81/564142681.db2.gz CAQJILSCRHPGCA-MRXNPFEDSA-N 0 0 329.444 3.707 50 30 EHEARN N#CCc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000096446398 564148240 /nfs/dbraw/zinc/14/82/40/564148240.db2.gz XTCUQVHUIJGMNG-UXHICEINSA-N 0 0 349.434 3.873 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](C)c2ccccc2)n1 ZINC000002863435 564152851 /nfs/dbraw/zinc/15/28/51/564152851.db2.gz PVEFMOWQCKJGNG-CQSZACIVSA-N 0 0 325.437 3.540 50 30 EHEARN N#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC000003048547 564154676 /nfs/dbraw/zinc/15/46/76/564154676.db2.gz FIWHJWFKHCXHSN-UHFFFAOYSA-N 0 0 340.614 3.830 50 30 EHEARN CC(NC(=O)OCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000003188762 564155786 /nfs/dbraw/zinc/15/57/86/564155786.db2.gz MOQPJDIEJOAXSW-UHFFFAOYSA-N 0 0 333.203 3.935 50 30 EHEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1 ZINC000003256000 564156653 /nfs/dbraw/zinc/15/66/53/564156653.db2.gz URIYJPXVMHILHH-UHFFFAOYSA-N 0 0 342.420 3.768 50 30 EHEARN C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc2ccccc2c1 ZINC000008490000 564165417 /nfs/dbraw/zinc/16/54/17/564165417.db2.gz KCRBXYAFGREQSC-OAHLLOKOSA-N 0 0 330.387 3.968 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)c1cc(C)n(-c2cccnc2)c1C ZINC000069532125 564170297 /nfs/dbraw/zinc/17/02/97/564170297.db2.gz ZDESRUMZXPUHRH-UHFFFAOYSA-N 0 0 347.374 3.589 50 30 EHEARN CCN(Cc1c(F)cccc1F)C(=O)NCc1ccc(C#N)cc1 ZINC000071792645 564175341 /nfs/dbraw/zinc/17/53/41/564175341.db2.gz VJZNBSWGWQDUEN-UHFFFAOYSA-N 0 0 329.350 3.568 50 30 EHEARN N#CCc1ccc(OCC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000071830292 564175718 /nfs/dbraw/zinc/17/57/18/564175718.db2.gz PZAOJJWRVCLWKH-HXUWFJFHSA-N 0 0 349.434 3.670 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1/C=C/c1ccccc1[N+](=O)[O-] ZINC000024098998 1024524561 /nfs/dbraw/zinc/52/45/61/1024524561.db2.gz QHECMGJNSBCOOV-DXRVJIQQSA-N 0 0 335.363 3.688 50 30 EHEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CC[C@@H]1CCCO1 ZINC000206434292 1029833961 /nfs/dbraw/zinc/83/39/61/1029833961.db2.gz XNCDBAJEOQJMMX-MXLIYFDZSA-N 0 0 346.496 3.856 50 30 EHEARN COc1ccc(C(=O)/C=C/c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000170612961 1033311001 /nfs/dbraw/zinc/31/10/01/1033311001.db2.gz GJNNGJKBTMZZEQ-ONNFQVAWSA-N 0 0 325.389 3.505 50 30 EHEARN C[C@@H]1CCC[C@@H](C)N1N=Cc1ccccc1I ZINC000254835003 1035532985 /nfs/dbraw/zinc/53/29/85/1035532985.db2.gz PPOULNBUHIHONB-VXGBXAGGSA-N 0 0 342.224 3.888 50 30 EHEARN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000624241784 1039655734 /nfs/dbraw/zinc/65/57/34/1039655734.db2.gz UWDFBQZTUUYPBC-XKQJLSEDSA-N 0 0 334.847 3.608 50 30 EHEARN Cc1nc2ccccc2c(=O)n1N=Cc1ccc(C(F)(F)F)cc1 ZINC000254513083 1040199765 /nfs/dbraw/zinc/19/97/65/1040199765.db2.gz YEEOTUWHAQSVSU-UHFFFAOYSA-N 0 0 331.297 3.606 50 30 EHEARN C#CCCC1(CCC(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)N=N1 ZINC000888096469 1043241385 /nfs/dbraw/zinc/24/13/85/1043241385.db2.gz WOUAWWPUQGEZMJ-KRWDZBQOSA-N 0 0 327.384 3.878 50 30 EHEARN CCOc1ccccc1/C=C\C(=O)c1ccc(N2CCOCC2)cc1 ZINC000033472257 1122748576 /nfs/dbraw/zinc/74/85/76/1122748576.db2.gz ADCZJEGBUWTSQU-XFXZXTDPSA-N 0 0 337.419 3.818 50 30 EHEARN COCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(CC#N)c2)o1 ZINC000455899491 1129954980 /nfs/dbraw/zinc/95/49/80/1129954980.db2.gz AQVKNXBUTQQQRB-KRWDZBQOSA-N 0 0 339.395 3.861 50 30 EHEARN CN(c1ccccc1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000004733591 210263989 /nfs/dbraw/zinc/26/39/89/210263989.db2.gz GBYLGUKGHHCSMR-UHFFFAOYSA-N 0 0 346.430 3.900 50 30 EHEARN C#CCCCCC(=O)Nc1cc(C(=O)N(CC)CC)ccc1Cl ZINC000055042121 214266676 /nfs/dbraw/zinc/26/66/76/214266676.db2.gz WNYBWQQUUGKBAV-UHFFFAOYSA-N 0 0 334.847 3.954 50 30 EHEARN COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1OC(F)F ZINC000058294073 214534345 /nfs/dbraw/zinc/53/43/45/214534345.db2.gz DLBCPGLQGSIKEU-GQCTYLIASA-N 0 0 336.338 3.970 50 30 EHEARN COc1ccc2c(c1)OC1=C(C(=O)CCC1)[C@H]2C1C(=O)CCCC1=O ZINC000100106937 219091402 /nfs/dbraw/zinc/09/14/02/219091402.db2.gz JMMFWLZZEBGXTR-GOSISDBHSA-N 0 0 340.375 3.743 50 30 EHEARN C=CCNC(=S)N/N=C/c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000004510870 210209254 /nfs/dbraw/zinc/20/92/54/210209254.db2.gz QWDBAYODKAIEMY-HFITWMCCSA-N 0 0 339.464 3.811 50 30 EHEARN CCCC(=O)C1=C(Nc2ccccc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100318911 219096842 /nfs/dbraw/zinc/09/68/42/219096842.db2.gz OPIZLSIPYCJLOD-QGZVFWFLSA-N 0 0 343.423 3.510 50 30 EHEARN O=C1c2ccccc2C2=C1[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 ZINC000100415609 219098075 /nfs/dbraw/zinc/09/80/75/219098075.db2.gz MJNXUGYYMOXRQF-SFHVURJKSA-N 0 0 343.382 3.694 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F ZINC000004488880 210202419 /nfs/dbraw/zinc/20/24/19/210202419.db2.gz FDWDZLGONXCNRC-LLVKDONJSA-N 0 0 337.341 3.952 50 30 EHEARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004488249 210201474 /nfs/dbraw/zinc/20/14/74/210201474.db2.gz RVVNIXWPALCFOB-MRXNPFEDSA-N 0 0 344.365 3.523 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000100564347 219102227 /nfs/dbraw/zinc/10/22/27/219102227.db2.gz BUWFHEWUOJLLPD-QGZVFWFLSA-N 0 0 331.437 3.668 50 30 EHEARN CN(C)c1ccc([C@H]2CC(=O)C=C(NC3Cc4ccccc4C3)C2)cc1 ZINC000101172566 219118397 /nfs/dbraw/zinc/11/83/97/219118397.db2.gz BWKYIACDFYISLN-LJQANCHMSA-N 0 0 346.474 3.840 50 30 EHEARN C=C(C)CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000004295324 210163706 /nfs/dbraw/zinc/16/37/06/210163706.db2.gz BPCJAWLDVOKUEX-NSHDSACASA-N 0 0 325.434 3.810 50 30 EHEARN C#CCSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C ZINC000004211454 210145492 /nfs/dbraw/zinc/14/54/92/210145492.db2.gz HGEOUYNCJYGXPB-UHFFFAOYSA-N 0 0 335.432 3.977 50 30 EHEARN COc1ccc(NC(=O)O/N=C2/CCCc3ccc(OC)cc32)cc1 ZINC000004199310 210144096 /nfs/dbraw/zinc/14/40/96/210144096.db2.gz NYALZPMIXYUPGG-UZYVYHOESA-N 0 0 340.379 3.993 50 30 EHEARN Cc1cccc(NN=C2c3cc(Br)ccc3NC2=O)c1 ZINC000101636304 219149172 /nfs/dbraw/zinc/14/91/72/219149172.db2.gz GUZUNQDNJPXMGG-UHFFFAOYSA-N 0 0 330.185 3.526 50 30 EHEARN CN(C)/C=C/C(=O)c1cc(Br)c(Br)s1 ZINC000004038463 210106545 /nfs/dbraw/zinc/10/65/45/210106545.db2.gz FHZTWJXOSTYEQN-ONEGZZNKSA-N 0 0 339.052 3.531 50 30 EHEARN COc1ccc(/N=C2/S/C(=C\c3ccc(O)cc3)C(=O)N2C)cc1 ZINC000003983381 210096612 /nfs/dbraw/zinc/09/66/12/210096612.db2.gz FCYIUHGXXCEMJD-QOOZPXINSA-N 0 0 340.404 3.635 50 30 EHEARN N#Cc1ccc(NC(=O)COC(=O)c2cccc3ccccc32)cc1 ZINC000003441434 210039871 /nfs/dbraw/zinc/03/98/71/210039871.db2.gz MCJMDCGPUPXDPU-UHFFFAOYSA-N 0 0 330.343 3.507 50 30 EHEARN CN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)cc1 ZINC000003414367 210032929 /nfs/dbraw/zinc/03/29/29/210032929.db2.gz GAUQGPFVJQQWJJ-UHFFFAOYSA-N 0 0 329.197 3.593 50 30 EHEARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccccc1C#N ZINC000003403985 210029957 /nfs/dbraw/zinc/02/99/57/210029957.db2.gz PQOAXSRGKJQQKT-UHFFFAOYSA-N 0 0 338.407 3.882 50 30 EHEARN N#Cc1c(N)nc(C2CCC2)cc1-c1ccccc1Cn1cccn1 ZINC000067641050 215170622 /nfs/dbraw/zinc/17/06/22/215170622.db2.gz SNFBWMCGPFBGGB-UHFFFAOYSA-N 0 0 329.407 3.715 50 30 EHEARN C=CCOc1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1OCC ZINC000002284831 209837460 /nfs/dbraw/zinc/83/74/60/209837460.db2.gz ROBYOLQFFHJEJY-KAMYIIQDSA-N 0 0 339.347 3.588 50 30 EHEARN CC[C@H](OC)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000068723248 215329137 /nfs/dbraw/zinc/32/91/37/215329137.db2.gz IRAYTZPOAQUIAX-KOLCDFICSA-N 0 0 342.342 3.916 50 30 EHEARN C[C@H](c1ccccn1)N(C(=O)CSc1ccc(C#N)cc1)C1CC1 ZINC000069350179 215384543 /nfs/dbraw/zinc/38/45/43/215384543.db2.gz VRZQIXWXBPQLSN-CQSZACIVSA-N 0 0 337.448 3.798 50 30 EHEARN CCCCC[C@@H](C)NC(=O)CCCOc1ccc(C#N)cc1OC ZINC000040107339 213266448 /nfs/dbraw/zinc/26/64/48/213266448.db2.gz IDQTUBLWVOZHNG-OAHLLOKOSA-N 0 0 332.444 3.811 50 30 EHEARN CC(C)COCCC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000040112259 213268643 /nfs/dbraw/zinc/26/86/43/213268643.db2.gz JPQGOKVOMBALBE-UHFFFAOYSA-N 0 0 344.333 3.501 50 30 EHEARN Cc1nc2c3ccccc3[nH]c2c(=O)n1/N=C/c1ccc(Cl)cc1 ZINC000000500408 209636900 /nfs/dbraw/zinc/63/69/00/209636900.db2.gz AVVZXQNMLAFEPP-KEBDBYFISA-N 0 0 336.782 3.722 50 30 EHEARN O=C(NCc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1O ZINC000036739635 213115309 /nfs/dbraw/zinc/11/53/09/213115309.db2.gz CTQDYLSUWURJMN-UHFFFAOYSA-N 0 0 331.803 3.546 50 30 EHEARN CC(=O)/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000033039428 212890891 /nfs/dbraw/zinc/89/08/91/212890891.db2.gz VHHOJGYKAPSCLI-LICLKQGHSA-N 0 0 349.346 3.687 50 30 EHEARN Cc1cc(C)cc(NC(=O)CSc2nc(C)cc(C)c2C#N)c1 ZINC000000422656 209585121 /nfs/dbraw/zinc/58/51/21/209585121.db2.gz UDJAUQOWQYWFBF-UHFFFAOYSA-N 0 0 325.437 3.918 50 30 EHEARN C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccccc1Cl ZINC000032934576 212876982 /nfs/dbraw/zinc/87/69/82/212876982.db2.gz XMEFZEGWNGHRFM-QGZVFWFLSA-N 0 0 345.851 3.651 50 30 EHEARN COc1cc(C#N)ccc1OCc1nn(-c2ccccc2)c2c1CCC2 ZINC000072052185 215999603 /nfs/dbraw/zinc/99/96/03/215999603.db2.gz MKCKBRBKKRHNJV-UHFFFAOYSA-N 0 0 345.402 3.820 50 30 EHEARN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000072271655 216095731 /nfs/dbraw/zinc/09/57/31/216095731.db2.gz HTYAZQFSIMSRTH-UHFFFAOYSA-N 0 0 349.385 3.504 50 30 EHEARN N#Cc1cc([N+](=O)[O-])cn(Cc2sc3ccccc3c2Cl)c1=O ZINC000025056792 212456945 /nfs/dbraw/zinc/45/69/45/212456945.db2.gz VCQNQJISJXKSQI-UHFFFAOYSA-N 0 0 345.767 3.545 50 30 EHEARN COc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(C#N)c2)cc1 ZINC000024867326 212444954 /nfs/dbraw/zinc/44/49/54/212444954.db2.gz VZEWOVXCZGBOEJ-UHFFFAOYSA-N 0 0 348.324 3.772 50 30 EHEARN Cc1noc(C)c1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000022394496 212294730 /nfs/dbraw/zinc/29/47/30/212294730.db2.gz XTOCDGVNXZQNRP-UHFFFAOYSA-N 0 0 332.359 3.978 50 30 EHEARN Cc1cccc2c1OCC/C(=C/c1nccn1CC(F)(F)F)C2=O ZINC000208756249 241067394 /nfs/dbraw/zinc/06/73/94/241067394.db2.gz IEEBDICDPKODEV-XFXZXTDPSA-N 0 0 336.313 3.803 50 30 EHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1F)O2 ZINC000020624492 212157667 /nfs/dbraw/zinc/15/76/67/212157667.db2.gz LBBLWOJWYQUSIW-WQRHYEAKSA-N 0 0 341.382 3.989 50 30 EHEARN Cc1ccc(CN2CCN(/N=C/c3ccccc3Cl)CC2)cc1 ZINC000019833132 212073006 /nfs/dbraw/zinc/07/30/06/212073006.db2.gz URRRVATYNFBLTP-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc2ccccc21 ZINC000019731366 212058189 /nfs/dbraw/zinc/05/81/89/212058189.db2.gz IDPZWVFBLJIPCY-FQEVSTJZSA-N 0 0 347.414 3.981 50 30 EHEARN C=C(C)CNC(=O)c1csc2nc(-c3ccc(CC)cc3)cn12 ZINC000019112382 212000010 /nfs/dbraw/zinc/00/00/10/212000010.db2.gz BFPUHDFGRYVDGY-UHFFFAOYSA-N 0 0 325.437 3.931 50 30 EHEARN C=CCN(Cc1cccs1)C(=O)c1ccc(-c2n[nH]c(C)n2)cc1 ZINC000078902875 217144758 /nfs/dbraw/zinc/14/47/58/217144758.db2.gz FJMDYUBHRXHFHQ-UHFFFAOYSA-N 0 0 338.436 3.670 50 30 EHEARN Cc1ccccc1[C@@H](C#N)NC(=O)c1ccccc1Br ZINC000079049741 217182002 /nfs/dbraw/zinc/18/20/02/217182002.db2.gz LUQYVXHSYQOMGR-OAHLLOKOSA-N 0 0 329.197 3.752 50 30 EHEARN COc1cc(C#N)ccc1OCC(=O)Nc1c(C)cccc1Cl ZINC000080821192 217335537 /nfs/dbraw/zinc/33/55/37/217335537.db2.gz PMWQZOLIOKRFRT-UHFFFAOYSA-N 0 0 330.771 3.546 50 30 EHEARN O=C1CS/C(=N\C(=S)Nc2ccccc2)N1c1ccccc1 ZINC000013755972 211631300 /nfs/dbraw/zinc/63/13/00/211631300.db2.gz MAVXCAYEEFQGPS-VLGSPTGOSA-N 0 0 327.434 3.519 50 30 EHEARN S=C1N=NC(c2cccnc2)N1N=CC(Cl)=Cc1ccccc1 ZINC000013111180 211522095 /nfs/dbraw/zinc/52/20/95/211522095.db2.gz CEMGITWZZWBWGS-XDUHZVATSA-N 0 0 341.827 3.743 50 30 EHEARN C=C(Br)Cn1c2ccccc2nc1[C@@H]1CCCN1C(C)=O ZINC000012323885 211347655 /nfs/dbraw/zinc/34/76/55/211347655.db2.gz XQMXHAQHKNOUCG-HNNXBMFYSA-N 0 0 348.244 3.628 50 30 EHEARN CCCCC1CCC(c2nc(C#N)c(N3CCN(C)CC3)o2)CC1 ZINC000012062481 211284115 /nfs/dbraw/zinc/28/41/15/211284115.db2.gz FEEIIYMRQKVMGF-UHFFFAOYSA-N 0 0 330.476 3.762 50 30 EHEARN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1 ZINC000012032556 211282066 /nfs/dbraw/zinc/28/20/66/211282066.db2.gz KOAYHYXHEAGQRK-GDNBJRDFSA-N 0 0 339.376 3.795 50 30 EHEARN Cc1cc(C)c(C#N)c(N[C@@H](C)c2cnc(-c3ccncc3)nc2C)n1 ZINC000091849018 218077278 /nfs/dbraw/zinc/07/72/78/218077278.db2.gz PJYPIZOPRJGJCV-HNNXBMFYSA-N 0 0 344.422 3.904 50 30 EHEARN C=C(C)COc1cccc(NC(=O)c2ccc(OCCOC)cc2)c1 ZINC000009824352 211126023 /nfs/dbraw/zinc/12/60/23/211126023.db2.gz WQEOKRFJNZKSDF-UHFFFAOYSA-N 0 0 341.407 3.919 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000009109159 211040031 /nfs/dbraw/zinc/04/00/31/211040031.db2.gz BHUYANTVBSTZDM-SFHVURJKSA-N 0 0 339.435 3.854 50 30 EHEARN CC(=O)COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000008993660 211030363 /nfs/dbraw/zinc/03/03/63/211030363.db2.gz BOWNFKJYBMPTIW-AWQFTUOYSA-N 0 0 347.370 3.762 50 30 EHEARN N#CCc1ccc(Oc2ccc(NC(=O)Cc3ccon3)cc2)cc1 ZINC000095405541 218341006 /nfs/dbraw/zinc/34/10/06/218341006.db2.gz PUNNCEXLXRQICF-UHFFFAOYSA-N 0 0 333.347 3.714 50 30 EHEARN O=[N+]([O-])c1ccc(N=NC2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1 ZINC000005159189 210403516 /nfs/dbraw/zinc/40/35/16/210403516.db2.gz MTNITEGBFVCMBZ-UHFFFAOYSA-N 0 0 330.344 3.727 50 30 EHEARN CC(=O)Nc1sc(N=NCc2ccco2)nc1-c1cccs1 ZINC000005025116 210364947 /nfs/dbraw/zinc/36/49/47/210364947.db2.gz VIJLSWRYLBYSJX-NVNXTCNLSA-N 0 0 332.410 3.869 50 30 EHEARN Cc1nc(Cc2nnc(SCc3ccccc3C#N)o2)cs1 ZINC000007022029 208571607 /nfs/dbraw/zinc/57/16/07/208571607.db2.gz GCFRZLLTEPMUJS-UHFFFAOYSA-N 0 0 328.422 3.589 50 30 EHEARN N#Cc1ccc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)o1 ZINC000097234037 219001261 /nfs/dbraw/zinc/00/12/61/219001261.db2.gz AJOCVWMTRPPFDO-UHFFFAOYSA-N 0 0 345.830 3.625 50 30 EHEARN CCOc1cc(C#N)ccc1OCc1nc(-c2ccc(C)cc2)no1 ZINC000004856281 210302224 /nfs/dbraw/zinc/30/22/24/210302224.db2.gz NTAIDSMLLWTZFK-UHFFFAOYSA-N 0 0 335.363 3.894 50 30 EHEARN C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC#C)C1=O ZINC000004819212 210286403 /nfs/dbraw/zinc/28/64/03/210286403.db2.gz IQHVYIWZLMTHOP-QGOAFFKASA-N 0 0 347.395 3.521 50 30 EHEARN O=[N+]([O-])c1cccc(NN=Cc2ccc(Br)s2)c1 ZINC000004807797 210282369 /nfs/dbraw/zinc/28/23/69/210282369.db2.gz YYTGYNYQCIANTE-NTUHNPAUSA-N 0 0 326.175 3.865 50 30 EHEARN N#Cc1c(N)c(C(=O)c2ccc(Cl)c(Cl)c2)n2ccccc12 ZINC000004785357 210279434 /nfs/dbraw/zinc/27/94/34/210279434.db2.gz NEJNUGLMAWEUSL-UHFFFAOYSA-N 0 0 330.174 3.931 50 30 EHEARN COc1ccccc1N1CCN(/N=C/c2cccc(Cl)c2)CC1 ZINC000000136600 258047662 /nfs/dbraw/zinc/04/76/62/258047662.db2.gz CXXRTSRZMBHJJR-XSFVSMFZSA-N 0 0 329.831 3.505 50 30 EHEARN C[C@@H](CC(=O)Nc1ncc(-c2ccccc2)cn1)N1CCCCC1=O ZINC000330032918 258002294 /nfs/dbraw/zinc/00/22/94/258002294.db2.gz UVGOGVUMRLDITL-AWEZNQCLSA-N 0 0 338.411 3.523 50 30 EHEARN CC1(C)CN(c2nc(C(F)(F)F)ccc2C#N)[C@H]1c1cccnc1 ZINC000291917810 258012072 /nfs/dbraw/zinc/01/20/72/258012072.db2.gz RHESFTULKCDFQD-AWEZNQCLSA-N 0 0 332.329 3.955 50 30 EHEARN C=CCn1cc(CN[C@H](c2ccncc2)c2ccc(C)cc2)c(C)n1 ZINC000055060938 258014809 /nfs/dbraw/zinc/01/48/09/258014809.db2.gz DVQBZZOCWFLEKU-NRFANRHFSA-N 0 0 332.451 3.960 50 30 EHEARN C=CCOc1ccc(CN(C)C(=O)Cc2noc3ccccc23)cc1 ZINC000008023627 258017996 /nfs/dbraw/zinc/01/79/96/258017996.db2.gz UITFVYISWFOWQL-UHFFFAOYSA-N 0 0 336.391 3.594 50 30 EHEARN C=CCn1c(SCc2cc(C)on2)nnc1-c1ccccc1OC ZINC000007834318 258018120 /nfs/dbraw/zinc/01/81/20/258018120.db2.gz DXCISCGORRUXBR-UHFFFAOYSA-N 0 0 342.424 3.728 50 30 EHEARN N#Cc1c(NC(=O)CSc2ccccc2F)sc2c1CCC2 ZINC000006402204 258051993 /nfs/dbraw/zinc/05/19/93/258051993.db2.gz XCALENUWPRGSEI-UHFFFAOYSA-N 0 0 332.425 3.978 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NCC(=O)NC(C1CC1)C1CC1 ZINC000069698585 258063670 /nfs/dbraw/zinc/06/36/70/258063670.db2.gz MQPVRGNCURMOFU-CYBMUJFWSA-N 0 0 343.496 3.655 50 30 EHEARN N#Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCCC1 ZINC000002639448 135658052 /nfs/dbraw/zinc/65/80/52/135658052.db2.gz HMGOKLRUDXYKKY-UHFFFAOYSA-N 0 0 335.407 3.566 50 30 EHEARN C(=N/n1cnnc1)\c1ccccc1OCc1cccc2ccccc21 ZINC000000459706 518378172 /nfs/dbraw/zinc/37/81/72/518378172.db2.gz MPMGWXPYKSYCBP-FSJBWODESA-N 0 0 328.375 3.893 50 30 EHEARN C=C(C)COc1ccccc1C(=O)NCc1cc(-c2cccnc2)no1 ZINC000055225987 518621436 /nfs/dbraw/zinc/62/14/36/518621436.db2.gz JULBFZCMHOFQQY-UHFFFAOYSA-N 0 0 349.390 3.622 50 30 EHEARN C=CCN(C(=O)[C@@H](C)Sc1nc2ncccc2o1)c1ccccc1 ZINC000021920154 518736114 /nfs/dbraw/zinc/73/61/14/518736114.db2.gz SBGHSINZMZWTLG-CYBMUJFWSA-N 0 0 339.420 3.923 50 30 EHEARN C=CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)Oc1ccccc1OC ZINC000055568627 518782490 /nfs/dbraw/zinc/78/24/90/518782490.db2.gz IDSRVOBFJLERTL-HNNXBMFYSA-N 0 0 343.398 3.816 50 30 EHEARN C=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266519 519032973 /nfs/dbraw/zinc/03/29/73/519032973.db2.gz JWBZKHOQCHDDCL-INIZCTEOSA-N 0 0 349.434 3.582 50 30 EHEARN C=CCc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000002991405 519139035 /nfs/dbraw/zinc/13/90/35/519139035.db2.gz UIQAHKAKXDUJHE-UHFFFAOYSA-N 0 0 329.352 3.790 50 30 EHEARN CCOCCOC(=NC(=O)c1cccs1)N[C@@H](C)c1ccccc1 ZINC000004734164 519972388 /nfs/dbraw/zinc/97/23/88/519972388.db2.gz IIUVUHTXNDYZCA-AWEZNQCLSA-N 0 0 346.452 3.648 50 30 EHEARN CCN(CCC#N)C(=O)CCSc1ccccc1Br ZINC000084774713 520976525 /nfs/dbraw/zinc/97/65/25/520976525.db2.gz XNGJFXQEVTYAOV-UHFFFAOYSA-N 0 0 341.274 3.693 50 30 EHEARN CN(C)c1ccc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000096920209 522132165 /nfs/dbraw/zinc/13/21/65/522132165.db2.gz FZYILWMPUIHINQ-RAXLEYEMSA-N 0 0 334.419 3.776 50 30 EHEARN CCc1ccc(NC(=O)[C@H](C#N)Cc2cc(OC)ccc2OC)cc1 ZINC000057524975 523988739 /nfs/dbraw/zinc/98/87/39/523988739.db2.gz VVPWJAKYIDYESA-INIZCTEOSA-N 0 0 338.407 3.587 50 30 EHEARN COc1ccccc1CN=Nc1nc(-c2cccc(O)c2)cs1 ZINC000004186672 524327052 /nfs/dbraw/zinc/32/70/52/524327052.db2.gz GCRVQTBENQCCKF-VCHYOVAHSA-N 0 0 325.393 3.970 50 30 EHEARN CSc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000016292368 525951382 /nfs/dbraw/zinc/95/13/82/525951382.db2.gz GKOGCXRQNVCIPC-QNGOZBTKSA-N 0 0 339.508 3.869 50 30 EHEARN Cc1noc(C2CC2)c1NC(=O)N1Cc2ccccc2OC[C@H]1C ZINC000328587842 526578301 /nfs/dbraw/zinc/57/83/01/526578301.db2.gz AOBKNPXNBUKYGQ-LLVKDONJSA-N 0 0 327.384 3.689 50 30 EHEARN CCn1c(C)nnc1CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000096500994 563955931 /nfs/dbraw/zinc/95/59/31/563955931.db2.gz MUYIEIAJMYTXQR-UHFFFAOYSA-N 0 0 326.347 3.789 50 30 EHEARN O=C1C=C(Nc2ncc(Br)cc2Br)CCC1 ZINC000045028113 564076220 /nfs/dbraw/zinc/07/62/20/564076220.db2.gz QKKDEHBNYWDHAV-UHFFFAOYSA-N 0 0 346.022 3.655 50 30 EHEARN COc1ccc(/N=C/c2cc(Br)ccc2O)c(OC)c1 ZINC000000100440 563225662 /nfs/dbraw/zinc/22/56/62/563225662.db2.gz IHFBXTFRZRNOKT-RQZCQDPDSA-N 0 0 336.185 3.923 50 30 EHEARN CSc1ccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000000136715 563240740 /nfs/dbraw/zinc/24/07/40/563240740.db2.gz MHRKCTISDJUCTG-HMMYKYKNSA-N 0 0 325.481 3.873 50 30 EHEARN CC(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000000443713 563315716 /nfs/dbraw/zinc/31/57/16/563315716.db2.gz OFBDDOFPYGHASM-MRXNPFEDSA-N 0 0 333.815 3.957 50 30 EHEARN COc1ccc(Br)cc1/C=C1\N=C(SC)SC1=O ZINC000000458007 563325217 /nfs/dbraw/zinc/32/52/17/563325217.db2.gz ZFFSRKSCKBCCIT-TWGQIWQCSA-N 0 0 344.255 3.791 50 30 EHEARN C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)OCC)[C@@H]1c1cccs1 ZINC000000614424 563357336 /nfs/dbraw/zinc/35/73/36/563357336.db2.gz OBNQAGAKVGGLCA-YOEHRIQHSA-N 0 0 346.477 3.685 50 30 EHEARN CC1=C(OS(=O)(=O)c2cc(C)c(Cl)cc2Cl)C(=O)CC1 ZINC000002150045 563423981 /nfs/dbraw/zinc/42/39/81/563423981.db2.gz CWCRUAFTNRRLJA-UHFFFAOYSA-N 0 0 335.208 3.644 50 30 EHEARN Fc1c(F)c(F)c(C(F)(F)I)c(F)c1F ZINC000002526237 563439263 /nfs/dbraw/zinc/43/92/63/563439263.db2.gz KBTGPFZDZIZYLB-UHFFFAOYSA-N 0 0 343.967 3.866 50 30 EHEARN Oc1ccc(/C=N/CC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000002848857 563455691 /nfs/dbraw/zinc/45/56/91/563455691.db2.gz XKSQHRJNRYZGCY-IGCPIRJNSA-N 0 0 335.194 3.982 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000004312537 563499683 /nfs/dbraw/zinc/49/96/83/563499683.db2.gz JBBJWQDOKFZPFK-OAHLLOKOSA-N 0 0 327.767 3.548 50 30 EHEARN COc1ccc(OC)c([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c1 ZINC000013727550 563719136 /nfs/dbraw/zinc/71/91/36/563719136.db2.gz YNSCWPCARQZBCH-KRWDZBQOSA-N 0 0 340.379 3.565 50 30 EHEARN Cc1sc2nc(N=NC(C)C)n(-c3ccccc3)c(=O)c2c1C ZINC000016265879 563807091 /nfs/dbraw/zinc/80/70/91/563807091.db2.gz KQPKYGDGRBBJAX-UHFFFAOYSA-N 0 0 326.425 3.872 50 30 EHEARN O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@@H]1Cc1ccccc1 ZINC000016512586 563814031 /nfs/dbraw/zinc/81/40/31/563814031.db2.gz JVEGATSHNJKBJZ-SKCQWOFPSA-N 0 0 343.839 3.504 50 30 EHEARN O=C1N/C(=N\N=C/c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1 ZINC000016667511 563819670 /nfs/dbraw/zinc/81/96/70/563819670.db2.gz QJKTVDNFULKDMZ-VUQQOUJSSA-N 0 0 343.839 3.504 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C)cc1 ZINC000016741401 563822175 /nfs/dbraw/zinc/82/21/75/563822175.db2.gz ZSBYJBSFQZSAFF-MRXNPFEDSA-N 0 0 339.416 3.821 50 30 EHEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccco1 ZINC000018266534 563851947 /nfs/dbraw/zinc/85/19/47/563851947.db2.gz JNARDGHQUCAHAW-KRWDZBQOSA-N 0 0 347.374 3.735 50 30 EHEARN COc1cc(/C=C2\CCc3cc(O)ccc3C2=O)cc(OC)c1OC ZINC000060340071 563931583 /nfs/dbraw/zinc/93/15/83/563931583.db2.gz XOIJNIIJBGOSRE-RIYZIHGNSA-N 0 0 340.375 3.631 50 30 EHEARN CC(C)(C)C1C/C(=C\c2csnn2)C(=O)/C(=C/c2csnn2)C1 ZINC000096307285 563933154 /nfs/dbraw/zinc/93/31/54/563933154.db2.gz JYPHZVYWYLDZDP-JMQWPVDRSA-N 0 0 346.481 3.882 50 30 EHEARN C[C@H](NC(=O)N1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000058364050 563943790 /nfs/dbraw/zinc/94/37/90/563943790.db2.gz DZHCCCQMZFIDBJ-NSHDSACASA-N 0 0 325.334 3.712 50 30 EHEARN N#Cc1cccc(-c2nnc(CSC[C@@H](O)c3ccccc3)o2)c1 ZINC000096424872 563952003 /nfs/dbraw/zinc/95/20/03/563952003.db2.gz DEBXOIFSLFZGFB-MRXNPFEDSA-N 0 0 337.404 3.575 50 30 EHEARN CC(=O)Nc1cc(C(=O)OCC2(CC#N)CC2)cc(C(F)(F)F)c1 ZINC000096473983 563954741 /nfs/dbraw/zinc/95/47/41/563954741.db2.gz MPDZVHBEDLOXKL-UHFFFAOYSA-N 0 0 340.301 3.514 50 30 EHEARN C[S@@](=O)c1ccc(CNc2ccc(Br)cc2C#N)cc1 ZINC000096501536 563955868 /nfs/dbraw/zinc/95/58/68/563955868.db2.gz GAPSMVOVQMWDGO-FQEVSTJZSA-N 0 0 349.253 3.670 50 30 EHEARN CCOc1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1 ZINC000060463497 563963672 /nfs/dbraw/zinc/96/36/72/563963672.db2.gz SMMWDOHMMCPMLY-UHFFFAOYSA-N 0 0 341.436 3.752 50 30 EHEARN N#Cc1cc(NCc2nnc3n2CCCCC3)ccc1C(F)(F)F ZINC000097144339 563968246 /nfs/dbraw/zinc/96/82/46/563968246.db2.gz RNVHHETZOTYKDN-UHFFFAOYSA-N 0 0 335.333 3.507 50 30 EHEARN CN(Cc1ccc(Br)cc1)C(=O)c1cccc(C#N)c1 ZINC000029168349 563971184 /nfs/dbraw/zinc/97/11/84/563971184.db2.gz OTJJPXMSSALULC-UHFFFAOYSA-N 0 0 329.197 3.593 50 30 EHEARN S=C(NC1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000082124295 563972525 /nfs/dbraw/zinc/97/25/25/563972525.db2.gz PIFVVSQZWDKWCN-RMKNXTFCSA-N 0 0 329.513 3.546 50 30 EHEARN C[C@@H](c1ccco1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000072583561 563974332 /nfs/dbraw/zinc/97/43/32/563974332.db2.gz MRCNNVJGLQQKSF-ZDUSSCGKSA-N 0 0 329.425 3.527 50 30 EHEARN Cn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c2cc(F)ccc21 ZINC000361655264 563974757 /nfs/dbraw/zinc/97/47/57/563974757.db2.gz OLSHLPMTWXUQJM-CYBMUJFWSA-N 0 0 332.338 3.684 50 30 EHEARN CCn1cc(-c2cc(-c3cc(F)cc(F)c3)nc(N)c2C#N)c(C)n1 ZINC000071749432 563982993 /nfs/dbraw/zinc/98/29/93/563982993.db2.gz LXZXXKJAOOMVBO-UHFFFAOYSA-N 0 0 339.349 3.673 50 30 EHEARN CCOc1cc(C#N)c(NC(=O)c2cccc(OC)c2)cc1OCC ZINC000000104031 563986411 /nfs/dbraw/zinc/98/64/11/563986411.db2.gz WQRMUJRGTHSJAB-UHFFFAOYSA-N 0 0 340.379 3.617 50 30 EHEARN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)sn2)cc1 ZINC000408514940 563992921 /nfs/dbraw/zinc/99/29/21/563992921.db2.gz FRAGEAQYUCZBSK-ABAIWWIYSA-N 0 0 341.436 3.926 50 30 EHEARN CCOc1cccc(C=NN2C(=S)N=NC2C2CCCCC2)c1O ZINC000244882715 563996036 /nfs/dbraw/zinc/99/60/36/563996036.db2.gz XXCXUOWYAHMPLX-UHFFFAOYSA-N 0 0 346.456 3.601 50 30 EHEARN C=CC[C@@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000188255491 564001952 /nfs/dbraw/zinc/00/19/52/564001952.db2.gz BEAAWGPEEHMTKP-HXUWFJFHSA-N 0 0 335.447 3.857 50 30 EHEARN COC(=O)/C(=C/c1cc(C)n(-c2ccccc2Cl)c1C)C(C)=O ZINC000003218901 564004244 /nfs/dbraw/zinc/00/42/44/564004244.db2.gz MLTYNAYXWGUDHX-XNTDXEJSSA-N 0 0 331.799 3.893 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000003266483 564004321 /nfs/dbraw/zinc/00/43/21/564004321.db2.gz LXXPMGYDSSZDIJ-SOFGYWHQSA-N 0 0 344.317 3.820 50 30 EHEARN COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000102389300 564019981 /nfs/dbraw/zinc/01/99/81/564019981.db2.gz HCPVNVBBHRMJCI-CPUCHLNUSA-N 0 0 340.423 3.581 50 30 EHEARN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000103504237 564022579 /nfs/dbraw/zinc/02/25/79/564022579.db2.gz JXVRTZYMEYKJIZ-CQSZACIVSA-N 0 0 348.280 3.546 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000047405393 564026282 /nfs/dbraw/zinc/02/62/82/564026282.db2.gz LVPGQRXQXAVVMD-SNVBAGLBSA-N 0 0 343.843 3.928 50 30 EHEARN CC1(C)CC(=O)C(=CN=c2[nH]c3c(cc(F)cc3F)s2)C(=O)C1 ZINC000044835304 564027296 /nfs/dbraw/zinc/02/72/96/564027296.db2.gz IWYBMEMRRHLOJX-UHFFFAOYSA-N 0 0 336.363 3.829 50 30 EHEARN CC(C)Sc1ncccc1C(=O)Nc1cccc(OCC#N)c1 ZINC000049295263 564032696 /nfs/dbraw/zinc/03/26/96/564032696.db2.gz ZLRWRCGDODTVDQ-UHFFFAOYSA-N 0 0 327.409 3.737 50 30 EHEARN CCOc1cccc2c1OCC(C(=O)O[C@@H](C#N)C1CCCCC1)=C2 ZINC000225550500 564047766 /nfs/dbraw/zinc/04/77/66/564047766.db2.gz DLWXNDLKGSWDLX-SFHVURJKSA-N 0 0 341.407 3.877 50 30 EHEARN Cn1c(COc2ccccc2)nnc1S[C@H](C#N)C1CCCCC1 ZINC000124489854 564051391 /nfs/dbraw/zinc/05/13/91/564051391.db2.gz BULCRPKWWAEUOB-MRXNPFEDSA-N 0 0 342.468 3.959 50 30 EHEARN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000257359164 564055997 /nfs/dbraw/zinc/05/59/97/564055997.db2.gz YUMWOIMGKYOLOA-XVMGYKCHSA-N 0 0 334.431 3.540 50 30 EHEARN C=CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000015162479 564056020 /nfs/dbraw/zinc/05/60/20/564056020.db2.gz HFSDCGQZBRMPPA-UJOPUZHASA-N 0 0 343.426 3.911 50 30 EHEARN C[C@@H]1CCN(C(=O)COc2ccc(C#N)cc2)c2ccccc2S1 ZINC000005868165 564056765 /nfs/dbraw/zinc/05/67/65/564056765.db2.gz YGRPIGKEIXHYMQ-CQSZACIVSA-N 0 0 338.432 3.855 50 30 EHEARN CCc1cc(NC(=O)c2ccc(C#N)cc2)nn1-c1ccc(OC)cc1 ZINC000034907351 564057262 /nfs/dbraw/zinc/05/72/62/564057262.db2.gz PGQZFLQDJZEWAO-UHFFFAOYSA-N 0 0 346.390 3.567 50 30 EHEARN CC(C)(C)c1ccc(C=NNc2cn[nH]c(=O)c2Br)cc1 ZINC000031858824 564061005 /nfs/dbraw/zinc/06/10/05/564061005.db2.gz FKRNYIMEQHPAMA-IUXPMGMMSA-N 0 0 349.232 3.688 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000005235747 564070562 /nfs/dbraw/zinc/07/05/62/564070562.db2.gz ZXPCHTZDKFFKLR-HNNXBMFYSA-N 0 0 347.418 3.751 50 30 EHEARN C=CCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000006744219 564070819 /nfs/dbraw/zinc/07/08/19/564070819.db2.gz STQMSSXTFAEGSE-UHFFFAOYSA-N 0 0 343.379 3.530 50 30 EHEARN C#CCN1C(=O)S/C(=C\c2c(OCC)ccc3ccccc32)C1=O ZINC000013939674 564074044 /nfs/dbraw/zinc/07/40/44/564074044.db2.gz LPNLRZJHCGSQBQ-ATVHPVEESA-N 0 0 337.400 3.908 50 30 EHEARN C#Cc1cccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000000167034 564074514 /nfs/dbraw/zinc/07/45/14/564074514.db2.gz YFYOPTNTBBDXEW-UHFFFAOYSA-N 0 0 333.174 3.937 50 30 EHEARN Cc1ccc(S(=O)(=O)OC[C@H](C)COCc2ccccc2)cc1 ZINC000038421660 564076165 /nfs/dbraw/zinc/07/61/65/564076165.db2.gz QPXQLCZWBSTSBZ-MRXNPFEDSA-N 0 0 334.437 3.553 50 30 EHEARN O=C(NCC#Cc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000025162768 564078930 /nfs/dbraw/zinc/07/89/30/564078930.db2.gz NWVHJEMGDONFLB-UHFFFAOYSA-N 0 0 341.414 3.531 50 30 EHEARN C[C@H](c1ccc(Cl)cc1)N(CC(=O)NCC#N)c1ccccc1 ZINC000075094602 564079988 /nfs/dbraw/zinc/07/99/88/564079988.db2.gz SSESPORCSXWJOE-CQSZACIVSA-N 0 0 327.815 3.547 50 30 EHEARN C[C@@H](c1ccc(Cl)cc1)N(CC(=O)NCC#N)c1ccccc1 ZINC000075094601 564079990 /nfs/dbraw/zinc/07/99/90/564079990.db2.gz SSESPORCSXWJOE-AWEZNQCLSA-N 0 0 327.815 3.547 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)c2c(C)noc2C)cc1 ZINC000075134544 564080533 /nfs/dbraw/zinc/08/05/33/564080533.db2.gz OLIQABLOLZQWEE-ZDUSSCGKSA-N 0 0 341.411 3.741 50 30 EHEARN Cc1ccc(C(=O)N(C)c2cc(C#N)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000075141139 564080679 /nfs/dbraw/zinc/08/06/79/564080679.db2.gz URZINIVBIAFQHD-UHFFFAOYSA-N 0 0 346.346 3.600 50 30 EHEARN N#CC1(C#N)[C@@H](c2cccnc2)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000075262324 564081274 /nfs/dbraw/zinc/08/12/74/564081274.db2.gz JMUBASAFARRKDU-SNXNFCLHSA-N 0 0 331.419 3.614 50 30 EHEARN CCCC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000001650017 564082066 /nfs/dbraw/zinc/08/20/66/564082066.db2.gz KQJJIYWCYIVGAC-UHFFFAOYSA-N 0 0 346.246 3.975 50 30 EHEARN CCc1cccc2c(C(=O)COC(=O)C3(C#N)CCCCC3)c[nH]c21 ZINC000064203186 564085370 /nfs/dbraw/zinc/08/53/70/564085370.db2.gz BKHITTPJOBIUGI-UHFFFAOYSA-N 0 0 338.407 3.930 50 30 EHEARN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cnn(C)c1 ZINC000266439373 564086999 /nfs/dbraw/zinc/08/69/99/564086999.db2.gz OTFXEUSTEDYQTD-CHWSQXEVSA-N 0 0 343.456 3.697 50 30 EHEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCC3)C2=O)o1 ZINC000013817152 564090925 /nfs/dbraw/zinc/09/09/25/564090925.db2.gz IKAXZBGIVUFFCA-YVLHZVERSA-N 0 0 325.364 3.506 50 30 EHEARN Cc1cccc(NC(=S)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000013114176 564100504 /nfs/dbraw/zinc/10/05/04/564100504.db2.gz VFQQMNPIPMXSQY-UHFFFAOYSA-N 0 0 348.815 3.877 50 30 EHEARN C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000006974782 564102587 /nfs/dbraw/zinc/10/25/87/564102587.db2.gz YQXKSQPKZJJGIF-SMDDNHRTSA-N 0 0 348.859 3.782 50 30 EHEARN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000007308756 564106675 /nfs/dbraw/zinc/10/66/75/564106675.db2.gz CLXMZUFWMHGYJM-CQSZACIVSA-N 0 0 336.416 3.751 50 30 EHEARN N#Cc1cnn(-c2ccc(NC(=O)c3sccc3C3CC3)cc2)c1N ZINC000065585741 564107810 /nfs/dbraw/zinc/10/78/10/564107810.db2.gz ROIMTDMHYFIMCW-UHFFFAOYSA-N 0 0 349.419 3.517 50 30 EHEARN C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000065593241 564108063 /nfs/dbraw/zinc/10/80/63/564108063.db2.gz HTSRCGODBSASAT-CYBMUJFWSA-N 0 0 342.830 3.616 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000007542581 564110232 /nfs/dbraw/zinc/11/02/32/564110232.db2.gz APKOHYJXJOYEGS-CQSZACIVSA-N 0 0 349.821 3.843 50 30 EHEARN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)C3(C#N)CCCC3)cc2)n1 ZINC000076042398 564114735 /nfs/dbraw/zinc/11/47/35/564114735.db2.gz MAQJGNBPHFRTIE-INIZCTEOSA-N 0 0 336.439 3.750 50 30 EHEARN Cc1ccc(S(=O)(=O)O[C@H](C)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003132955 564119136 /nfs/dbraw/zinc/11/91/36/564119136.db2.gz KDAJYOXGEHWABT-UONOGXRCSA-N 0 0 349.408 3.801 50 30 EHEARN COc1cc2c(cc1C=NNC(N)=S)oc(C)c2-c1ccccc1 ZINC000252605292 564121256 /nfs/dbraw/zinc/12/12/56/564121256.db2.gz GHMMMPFXCQHEHS-UHFFFAOYSA-N 0 0 339.420 3.584 50 30 EHEARN COc1cc(C=Nc2cc([N+](=O)[O-])ccc2C)c([N+](=O)[O-])cc1OC ZINC000252608672 564121368 /nfs/dbraw/zinc/12/13/68/564121368.db2.gz HMLLDDREBIUPOD-UHFFFAOYSA-N 0 0 345.311 3.579 50 30 EHEARN Cc1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1 ZINC000195227646 564123011 /nfs/dbraw/zinc/12/30/11/564123011.db2.gz MRNLVKYDTRXYLO-UHFFFAOYSA-N 0 0 340.433 3.623 50 30 EHEARN Cc1ccc(NC(=O)COc2ccc(C#N)cc2)c(Br)c1 ZINC000000469871 564133284 /nfs/dbraw/zinc/13/32/84/564133284.db2.gz DKCGPXLLTUDCLR-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)c1 ZINC000077487686 564134266 /nfs/dbraw/zinc/13/42/66/564134266.db2.gz UYJHDSQSAVTXOT-HXUWFJFHSA-N 0 0 346.430 3.612 50 30 EHEARN N#Cc1cccc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)n1 ZINC000067855139 564134915 /nfs/dbraw/zinc/13/49/15/564134915.db2.gz CJOKLUKRPRZUSG-HNNXBMFYSA-N 0 0 347.397 3.866 50 30 EHEARN COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1 ZINC000012662766 564135497 /nfs/dbraw/zinc/13/54/97/564135497.db2.gz MPYSALWTPLANLS-ZDLGFXPLSA-N 0 0 338.359 3.873 50 30 biogenic EHEARN CC(=O)N1C[C@H](CCC(=O)Nc2nc(C)ccc2O)c2ccccc21 ZINC000328588207 564136579 /nfs/dbraw/zinc/13/65/79/564136579.db2.gz ZLCLTRUSSKDCBB-AWEZNQCLSA-N 0 0 339.395 3.614 50 30 EHEARN Cc1ccc(CC[C@H](C)NC(=O)N2CCCC[C@H]2c2ncc[nH]2)o1 ZINC000328587850 564136601 /nfs/dbraw/zinc/13/66/01/564136601.db2.gz BMFYHDBLLAFLLY-BBRMVZONSA-N 0 0 330.432 3.773 50 30 EHEARN N#Cc1ccnc(N(C(=O)c2cc(F)c(F)cc2Cl)C2CC2)c1 ZINC000095468127 564141164 /nfs/dbraw/zinc/14/11/64/564141164.db2.gz BJLKPSLVJKTGAQ-UHFFFAOYSA-N 0 0 333.725 3.694 50 30 EHEARN S=C(/N=C/c1ccc(Br)cc1)NNc1ccccc1 ZINC000007966382 564141924 /nfs/dbraw/zinc/14/19/24/564141924.db2.gz CEPBDVDOMXUPIC-MHWRWJLKSA-N 0 0 334.242 3.770 50 30 EHEARN COc1ccc(OCC(=O)Nc2ccccc2SCCC#N)cc1 ZINC000095953430 564142432 /nfs/dbraw/zinc/14/24/32/564142432.db2.gz XUPCCMQZVAOWEQ-UHFFFAOYSA-N 0 0 342.420 3.718 50 30 EHEARN N#Cc1csc(CNc2ccc(Cc3nnc4ccccn43)cc2)c1 ZINC000095971935 564143448 /nfs/dbraw/zinc/14/34/48/564143448.db2.gz ZGGGNEVXOKFHOF-UHFFFAOYSA-N 0 0 345.431 3.865 50 30 EHEARN CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000096314554 564146735 /nfs/dbraw/zinc/14/67/35/564146735.db2.gz AQZKTXCSPRPQIK-WCIBSUBMSA-N 0 0 335.812 3.608 50 30 EHEARN N#CCNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1)CC2 ZINC000096402657 564147123 /nfs/dbraw/zinc/14/71/23/564147123.db2.gz GWJZONFZWUFMJE-JQIJEIRASA-N 0 0 339.398 3.975 50 30 EHEARN COc1ccc(NC(=O)N(CCC#N)Cc2cccnc2)c(Cl)c1 ZINC000096459870 564148324 /nfs/dbraw/zinc/14/83/24/564148324.db2.gz SENHQFFJDSDTMK-UHFFFAOYSA-N 0 0 344.802 3.691 50 30 EHEARN N#CCC1CCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000097238256 564149611 /nfs/dbraw/zinc/14/96/11/564149611.db2.gz DJZLQXHHLOZMQC-UHFFFAOYSA-N 0 0 341.636 3.868 50 30 EHEARN C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002886796 564152922 /nfs/dbraw/zinc/15/29/22/564152922.db2.gz MWWNFBMMPFQKBZ-CYBMUJFWSA-N 0 0 331.485 3.702 50 30 EHEARN Cc1nc2c3ccccc3nc(SCc3ccc(C#N)cc3)n2n1 ZINC000002969573 564153843 /nfs/dbraw/zinc/15/38/43/564153843.db2.gz PJSOHIJFCPDLIZ-UHFFFAOYSA-N 0 0 331.404 3.750 50 30 EHEARN COc1ccc(-c2ccc(C#N)c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000003128356 564155322 /nfs/dbraw/zinc/15/53/22/564155322.db2.gz AAFRBZOEXNLXEW-UHFFFAOYSA-N 0 0 330.387 3.752 50 30 EHEARN N#Cc1ccc(C(=O)OCCOc2cccc(Br)c2)cc1 ZINC000003351427 564157615 /nfs/dbraw/zinc/15/76/15/564157615.db2.gz AGFCVVAKNLRPGT-UHFFFAOYSA-N 0 0 346.180 3.557 50 30 EHEARN Cc1cc(NC(=O)[C@@H](Oc2cccc(C#N)c2)c2ccccc2)no1 ZINC000058307143 564158514 /nfs/dbraw/zinc/15/85/14/564158514.db2.gz YRVQKEKOAVXLJZ-SFHVURJKSA-N 0 0 333.347 3.614 50 30 EHEARN C=CCSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC ZINC000008194900 564163521 /nfs/dbraw/zinc/16/35/21/564163521.db2.gz HQZBOYDEMLWIFI-UHFFFAOYSA-N 0 0 338.432 3.981 50 30 EHEARN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1cccs1 ZINC000008533580 564165632 /nfs/dbraw/zinc/16/56/32/564165632.db2.gz DYYOUXRENYIHKT-NSHDSACASA-N 0 0 333.844 3.732 50 30 EHEARN N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000067601471 564166184 /nfs/dbraw/zinc/16/61/84/564166184.db2.gz ZEZPZFXRZFJDJR-CYBMUJFWSA-N 0 0 334.297 3.789 50 30 EHEARN N#C[C@H](NC(=O)c1ccc(NC=O)cc1)c1cccc(Cl)c1Cl ZINC000172797186 564167739 /nfs/dbraw/zinc/16/77/39/564167739.db2.gz FTQIIUCXBMJBQK-AWEZNQCLSA-N 0 0 348.189 3.556 50 30 EHEARN C=CCN(C(=O)c1ccc2nccn2c1)c1nc2c(s1)CCCC2 ZINC000069653790 564171142 /nfs/dbraw/zinc/17/11/42/564171142.db2.gz SUXIIWZFRAAJGM-UHFFFAOYSA-N 0 0 338.436 3.502 50 30 EHEARN N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000069773148 564172093 /nfs/dbraw/zinc/17/20/93/564172093.db2.gz CMFWYTMLOHHIQO-UHFFFAOYSA-N 0 0 339.370 3.773 50 30 EHEARN N#CCCN(Cn1nc(C2CC2)n(-c2ccccc2)c1=S)C1CC1 ZINC000069921382 564172829 /nfs/dbraw/zinc/17/28/29/564172829.db2.gz GPGGJSKAFNIFKJ-UHFFFAOYSA-N 0 0 339.468 3.616 50 30 EHEARN COc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1NC(C)=O ZINC000070009018 564173270 /nfs/dbraw/zinc/17/32/70/564173270.db2.gz KCIADOBPLGKCHS-BQYQJAHWSA-N 0 0 331.318 3.828 50 30 EHEARN O=C(/C=C/C1=Cc2ccccc2OC1)c1cccc(N2CCOC2=O)c1 ZINC000071855203 564176035 /nfs/dbraw/zinc/17/60/35/564176035.db2.gz QLDMEKATYCYQIQ-CMDGGOBGSA-N 0 0 347.370 3.858 50 30 EHEARN C#Cc1cccc(N(C(=O)c2cnn(-c3ccccc3)c2)C(C)C)c1 ZINC000077293742 564176665 /nfs/dbraw/zinc/17/66/65/564176665.db2.gz NXKIOHAMLBEOEP-UHFFFAOYSA-N 0 0 329.403 3.909 50 30 EHEARN N#CCc1cc(Br)c(Br)c(OC(F)F)c1 ZINC000263622829 568419738 /nfs/dbraw/zinc/41/97/38/568419738.db2.gz BGKQMTLDKIUZEP-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000254987703 1015343279 /nfs/dbraw/zinc/34/32/79/1015343279.db2.gz MQNGNWPFFDOZBC-YFHOEESVSA-N 0 0 339.782 3.842 50 30 EHEARN Cc1c(C(=O)/C=C\c2ccccc2[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000098009150 1016825393 /nfs/dbraw/zinc/82/53/93/1016825393.db2.gz KSBCLYSHQZGBEQ-XFXZXTDPSA-N 0 0 348.362 3.688 50 30 EHEARN N#Cc1ccc(COC(=O)Cc2ccc(Br)cc2)cc1 ZINC000005896929 1027287364 /nfs/dbraw/zinc/28/73/64/1027287364.db2.gz PIHFFTCIDNQAEU-UHFFFAOYSA-N 0 0 330.181 3.607 50 30 EHEARN O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000007586248 1027468711 /nfs/dbraw/zinc/46/87/11/1027468711.db2.gz DIDVGBGOFAQVEM-FPYGCLRLSA-N 0 0 329.346 3.698 50 30 EHEARN C[C@H](ON=CC(=O)Nc1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000588574745 1029591566 /nfs/dbraw/zinc/59/15/66/1029591566.db2.gz RMOTVAKBXDIGKI-NSHDSACASA-N 0 0 329.306 3.539 50 30 EHEARN N#Cc1ccc(/C=C2/COc3ccc(Br)cc3C2=O)cc1 ZINC000096973230 1039633386 /nfs/dbraw/zinc/63/33/86/1039633386.db2.gz HYEWJPZFCGCBGF-QPEQYQDCSA-N 0 0 340.176 3.979 50 30 EHEARN Cc1nnccc1NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000330150748 1040809972 /nfs/dbraw/zinc/80/99/72/1040809972.db2.gz KZHAOLDJQQBYHM-CYBMUJFWSA-N 0 0 345.472 3.790 50 30 EHEARN O=C(NCc1cc2ccccc2s1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000330270883 1040832532 /nfs/dbraw/zinc/83/25/32/1040832532.db2.gz UZGIZAJIRZJOMR-HUUCEWRRSA-N 0 0 343.452 3.899 50 30 EHEARN COc1cc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000033424201 1122708539 /nfs/dbraw/zinc/70/85/39/1122708539.db2.gz MQEHSCIECKRQOX-FPLPWBNLSA-N 0 0 343.335 3.517 50 30 EHEARN Cc1cnc(-c2ccccc2)n1C1CN(Cc2ccc(C#N)cc2)C1 ZINC000581807262 1132370267 /nfs/dbraw/zinc/37/02/67/1132370267.db2.gz BAUWZCQLRRRQGT-UHFFFAOYSA-N 0 0 328.419 3.787 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H]2C[C@H](OCC)C23CCCCC3)N=N1 ZINC000952879726 1137483170 /nfs/dbraw/zinc/48/31/70/1137483170.db2.gz AMCKFYORYDQBHM-CVEARBPZSA-N 0 0 331.460 3.586 50 30 EHEARN C#CCCC1(CCC(=O)Nc2c(-c3ccco3)nc3ccccn32)N=N1 ZINC000952879879 1137483228 /nfs/dbraw/zinc/48/32/28/1137483228.db2.gz HKUXEWIWXPYFSZ-UHFFFAOYSA-N 0 0 347.378 3.889 50 30 EHEARN C#CCCC1(CCC(=O)N2CC[C@H](c3ccc(OC)c(F)c3)C2)N=N1 ZINC000952881465 1137483376 /nfs/dbraw/zinc/48/33/76/1137483376.db2.gz OKHYZIYVIBMXPM-HNNXBMFYSA-N 0 0 343.402 3.506 50 30 EHEARN Cc1noc(C)c1C(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C ZINC000102262843 1137618491 /nfs/dbraw/zinc/61/84/91/1137618491.db2.gz QERHTERALSCVDW-ZPHPHTNESA-N 0 0 343.452 3.815 50 30 EHEARN Cc1ccc(N2C(=O)CS/C2=N\C(=O)c2ccc(Cl)cc2)cc1 ZINC000004719587 210257423 /nfs/dbraw/zinc/25/74/23/210257423.db2.gz YFLXKHHPNZNYGP-ZPHPHTNESA-N 0 0 344.823 3.925 50 30 EHEARN COCCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccccc1 ZINC000004696357 210250417 /nfs/dbraw/zinc/25/04/17/210250417.db2.gz IINMOWDGYRHBEL-QNZHOBDDSA-N 0 0 338.432 3.937 50 30 EHEARN N#CCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000004695487 210250109 /nfs/dbraw/zinc/25/01/09/210250109.db2.gz PRBWWDLXHJSCSP-FOWTUZBSSA-N 0 0 336.372 3.830 50 30 EHEARN CC(=O)O[C@@H](C#CCN1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055246638 214294867 /nfs/dbraw/zinc/29/48/67/214294867.db2.gz BHQFAKVIHHCRIZ-YADHBBJMSA-N 0 0 348.446 3.916 50 30 EHEARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000004672824 210242763 /nfs/dbraw/zinc/24/27/63/210242763.db2.gz WVXSQZJDLZIEJC-UHFFFAOYSA-N 0 0 334.828 3.938 50 30 EHEARN COc1cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)ccc1O ZINC000004491614 210202544 /nfs/dbraw/zinc/20/25/44/210202544.db2.gz BLHYCNYTRWAIBZ-DENHBWNVSA-N 0 0 332.228 3.542 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccccc1C(F)(F)F ZINC000004488879 210202142 /nfs/dbraw/zinc/20/21/42/210202142.db2.gz FDWDZLGONXCNRC-NSHDSACASA-N 0 0 337.341 3.952 50 30 EHEARN O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000004471867 210195354 /nfs/dbraw/zinc/19/53/54/210195354.db2.gz RAYNBWCXEMCKJN-DYTRJAOYSA-N 0 0 347.330 3.599 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1 ZINC000100698711 219104169 /nfs/dbraw/zinc/10/41/69/219104169.db2.gz ZKJYSYRVQLSDGW-CGTJXYLNSA-N 0 0 345.439 3.687 50 30 EHEARN N#CCOc1cccc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)c1 ZINC000049294167 213998206 /nfs/dbraw/zinc/99/82/06/213998206.db2.gz XYNZXCUWCKHAMN-TWGQIWQCSA-N 0 0 344.317 3.842 50 30 EHEARN CCSc1nc2n(n1)[C@H](c1ccccc1C)C1C(=O)CCCC1=N2 ZINC000004436180 210191674 /nfs/dbraw/zinc/19/16/74/210191674.db2.gz XQDYULHTFLSGLN-MRXNPFEDSA-N 0 0 340.452 3.721 50 30 EHEARN CCOc1ccc(C(=O)Cc2nc3cc(Cl)ccc3oc2=O)cc1 ZINC000100831999 219108990 /nfs/dbraw/zinc/10/89/90/219108990.db2.gz KSPVPHRQBPGTDL-XNTDXEJSSA-N 0 0 343.766 3.836 50 30 EHEARN COc1ccccc1/C=C/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000004263730 210155577 /nfs/dbraw/zinc/15/55/77/210155577.db2.gz SSSNDPJLLSIZBQ-MLBLMHQHSA-N 0 0 347.418 3.909 50 30 EHEARN COc1cc([C@@H](C)Nc2ncc(C#N)cc2Cl)cc(OC)c1OC ZINC000065592780 214973175 /nfs/dbraw/zinc/97/31/75/214973175.db2.gz CHNQLBBNCQDOPT-SNVBAGLBSA-N 0 0 347.802 3.806 50 30 EHEARN CN(C)/C=C/C(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1 ZINC000004090325 210117387 /nfs/dbraw/zinc/11/73/87/210117387.db2.gz IXVRUIRGQVZUIU-ONEGZZNKSA-N 0 0 345.708 3.667 50 30 EHEARN CN(/N=C/c1ccc(Br)s1)c1cnc2ccccc2n1 ZINC000003909677 210092765 /nfs/dbraw/zinc/09/27/65/210092765.db2.gz ROKWACAVJZDWRE-CAOOACKPSA-N 0 0 347.241 3.924 50 30 EHEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000003900227 210088172 /nfs/dbraw/zinc/08/81/72/210088172.db2.gz DSIPLYKUIJIAAX-UHFFFAOYSA-N 0 0 338.498 3.666 50 30 EHEARN C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1ccccc1C#N ZINC000003382788 210023995 /nfs/dbraw/zinc/02/39/95/210023995.db2.gz GZCGQVCIIGSEDS-SNVBAGLBSA-N 0 0 346.745 3.535 50 30 EHEARN Cc1csc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000003346795 210014760 /nfs/dbraw/zinc/01/47/60/210014760.db2.gz WEKDKZWMBUVADV-UHFFFAOYSA-N 0 0 335.479 3.604 50 30 EHEARN COc1ccc(-c2cc(C(=O)OCC#N)c3ccccc3n2)cc1OC ZINC000003322569 210006935 /nfs/dbraw/zinc/00/69/35/210006935.db2.gz YKMZYMNEUOSOGH-UHFFFAOYSA-N 0 0 348.358 3.599 50 30 EHEARN Cn1cccc1-c1cc(-c2cccc3cnccc32)c(C#N)c(N)n1 ZINC000067447146 215146907 /nfs/dbraw/zinc/14/69/07/215146907.db2.gz VKCQCKRRNSVEAB-UHFFFAOYSA-N 0 0 325.375 3.756 50 30 EHEARN CC(=O)Nc1ccc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cc1 ZINC000067774695 215209145 /nfs/dbraw/zinc/20/91/45/215209145.db2.gz JIDDRCZKQROJAT-UHFFFAOYSA-N 0 0 344.374 3.533 50 30 EHEARN C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000002894560 209938357 /nfs/dbraw/zinc/93/83/57/209938357.db2.gz GURDOEIRRAAHBJ-ZWKOTPCHSA-N 0 0 334.419 3.663 50 30 EHEARN N#Cc1c(N)nc(C2CCC2)cc1-c1cccc(Cn2cccn2)c1 ZINC000067946233 215255314 /nfs/dbraw/zinc/25/53/14/215255314.db2.gz UQYXQSNRRAZPLE-UHFFFAOYSA-N 0 0 329.407 3.715 50 30 EHEARN O=C1CCCCC1=CNc1ccc(I)cc1 ZINC000103849598 219325528 /nfs/dbraw/zinc/32/55/28/219325528.db2.gz ITNBRPSDWNVSLV-KTKRTIGZSA-N 0 0 327.165 3.730 50 30 EHEARN COc1ccccc1Oc1c(C)oc2cc(OCC#N)ccc2c1=O ZINC000002417060 209848927 /nfs/dbraw/zinc/84/89/27/209848927.db2.gz KHKORHNMBGKVHX-UHFFFAOYSA-N 0 0 337.331 3.805 50 30 biogenic EHEARN N#Cc1cccc(NC(=O)CCCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000001807096 209795578 /nfs/dbraw/zinc/79/55/78/209795578.db2.gz GGUOJTUPVJJBKH-UHFFFAOYSA-N 0 0 346.390 3.568 50 30 EHEARN CCCCC[C@H](C)NC(=O)CCCOc1ccc(C#N)cc1OC ZINC000040107340 213266225 /nfs/dbraw/zinc/26/62/25/213266225.db2.gz IDQTUBLWVOZHNG-HNNXBMFYSA-N 0 0 332.444 3.811 50 30 EHEARN N#Cc1cc(Br)ccc1NC(=O)CCc1ccccc1 ZINC000039929669 213243443 /nfs/dbraw/zinc/24/34/43/213243443.db2.gz MJWREKNRKDXWJL-UHFFFAOYSA-N 0 0 329.197 3.892 50 30 EHEARN CCOC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N ZINC000000550690 209660529 /nfs/dbraw/zinc/66/05/29/209660529.db2.gz OHOWZZVVAXAYKD-UHFFFAOYSA-N 0 0 346.374 3.925 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(C)c1 ZINC000000436231 209600197 /nfs/dbraw/zinc/60/01/97/209600197.db2.gz YYIPVKVHARGEIW-SFHVURJKSA-N 0 0 325.408 3.526 50 30 EHEARN C=CCn1c(N)c(C(=O)Nc2ccccc2OCC)sc1=S ZINC000032952437 212880421 /nfs/dbraw/zinc/88/04/21/212880421.db2.gz MCFATZSDJOVZKO-UHFFFAOYSA-N 0 0 335.454 3.698 50 30 EHEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC#Cc1ccccc1 ZINC000032891509 212861565 /nfs/dbraw/zinc/86/15/65/212861565.db2.gz AGWYFDROFKMGNN-UHFFFAOYSA-N 0 0 327.811 3.665 50 30 EHEARN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032829680 212853033 /nfs/dbraw/zinc/85/30/33/212853033.db2.gz BWSCDFMRQOVQMJ-OAHLLOKOSA-N 0 0 328.759 3.856 50 30 EHEARN O=C(/C=C/c1ccc(N2CCCC2)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000031644184 212740668 /nfs/dbraw/zinc/74/06/68/212740668.db2.gz BGJGFEKTOBKOJJ-WEVVVXLNSA-N 0 0 348.402 3.514 50 30 EHEARN COc1ccc(-c2csc(CNC(=O)c3cccc(C#N)c3)n2)cc1 ZINC000072264915 216085865 /nfs/dbraw/zinc/08/58/65/216085865.db2.gz TYBFTJNLPNEYFZ-UHFFFAOYSA-N 0 0 349.415 3.620 50 30 EHEARN COCc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000023881646 212397356 /nfs/dbraw/zinc/39/73/56/212397356.db2.gz VSUFWJLZNNUAOM-UHFFFAOYSA-N 0 0 342.398 3.880 50 30 EHEARN CC(C)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cc1 ZINC000021283836 212218196 /nfs/dbraw/zinc/21/81/96/212218196.db2.gz RWKIQYDFSWZCGF-NRFANRHFSA-N 0 0 347.418 3.649 50 30 EHEARN Cc1cccc(NC(=S)NC[C@H](c2cccnc2)N(C)C)c1C ZINC000020234882 212113893 /nfs/dbraw/zinc/11/38/93/212113893.db2.gz ZUBXPOQZZQKIPO-QGZVFWFLSA-N 0 0 328.485 3.699 50 30 EHEARN Cc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000020190336 212109510 /nfs/dbraw/zinc/10/95/10/212109510.db2.gz CTVVDYYCAYUQTL-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN CCCCOc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 ZINC000019912743 212083498 /nfs/dbraw/zinc/08/34/98/212083498.db2.gz FBMVWHBSYSZCEE-XMHGGMMESA-N 0 0 333.501 3.996 50 30 EHEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000019772305 212064456 /nfs/dbraw/zinc/06/44/56/212064456.db2.gz SKCSYHVYLULWIU-SFHVURJKSA-N 0 0 345.464 3.915 50 30 EHEARN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1nc[nH]n1 ZINC000079020694 217175385 /nfs/dbraw/zinc/17/53/85/217175385.db2.gz HZSOANBMRQIEOA-QMMMGPOBSA-N 0 0 333.804 3.775 50 30 EHEARN N#CCCN(C(=O)c1cscn1)c1cccc(C(F)(F)F)c1 ZINC000079308228 217205930 /nfs/dbraw/zinc/20/59/30/217205930.db2.gz RJJOZKFJJMGZLA-UHFFFAOYSA-N 0 0 325.315 3.722 50 30 EHEARN CCC(=NOC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O ZINC000013539408 211574251 /nfs/dbraw/zinc/57/42/51/211574251.db2.gz IOYNQIMAUDJVEI-FGWLPLFYSA-N 0 0 341.835 3.739 50 30 in-vitro EHEARN N#Cc1cccc(NCC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000011253296 211210790 /nfs/dbraw/zinc/21/07/90/211210790.db2.gz IHNTWSZCDPNNRT-FQEVSTJZSA-N 0 0 347.443 3.937 50 30 EHEARN CCn1c(SCc2ccc(C#N)cc2F)nnc1-c1ccco1 ZINC000010538272 211178781 /nfs/dbraw/zinc/17/87/81/211178781.db2.gz ZSXCWNCPIHEQHL-UHFFFAOYSA-N 0 0 328.372 3.861 50 30 EHEARN Cc1cc(O)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 ZINC000009482774 211090552 /nfs/dbraw/zinc/09/05/52/211090552.db2.gz MZWKMBUAASOXHD-WCSRMQSCSA-N 0 0 344.750 3.837 50 30 EHEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000009088593 211038795 /nfs/dbraw/zinc/03/87/95/211038795.db2.gz UDOPPWUOKCGGIJ-UZLBHIALSA-N 0 0 342.402 3.694 50 30 EHEARN N#C[C@@H](NC(=O)CCC1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000095403535 218338357 /nfs/dbraw/zinc/33/83/57/218338357.db2.gz LVNBBTMKNFXSMH-OAHLLOKOSA-N 0 0 341.238 3.881 50 30 EHEARN N#Cc1cnccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095405090 218339948 /nfs/dbraw/zinc/33/99/48/218339948.db2.gz RUORLBBMHJRMFN-UHFFFAOYSA-N 0 0 336.229 3.517 50 30 EHEARN N#Cc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])cc1F ZINC000095410988 218348482 /nfs/dbraw/zinc/34/84/82/218348482.db2.gz AWTVZEOOHHMWBJ-UHFFFAOYSA-N 0 0 338.092 3.555 50 30 EHEARN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000095435993 218378226 /nfs/dbraw/zinc/37/82/26/218378226.db2.gz NRQSOJKURKVILZ-BMIGLBTASA-N 0 0 331.803 3.820 50 30 EHEARN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000095435992 218378463 /nfs/dbraw/zinc/37/84/63/218378463.db2.gz NRQSOJKURKVILZ-BONVTDFDSA-N 0 0 331.803 3.820 50 30 EHEARN N#Cc1ccc(/C=C\C(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000096585516 218883838 /nfs/dbraw/zinc/88/38/38/218883838.db2.gz FCLJPMCQQYARHX-FPLPWBNLSA-N 0 0 334.404 3.516 50 30 EHEARN O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000005109456 210390771 /nfs/dbraw/zinc/39/07/71/210390771.db2.gz CFXWBIBCFUMBHH-XVNBXDOJSA-N 0 0 345.301 3.515 50 30 EHEARN COc1cc(/C=C2\CCc3ccccc3C2=O)c([N+](=O)[O-])cc1OC ZINC000005128646 210397037 /nfs/dbraw/zinc/39/70/37/210397037.db2.gz IMBGCXLANNXTKH-UKTHLTGXSA-N 0 0 339.347 3.825 50 30 EHEARN Cc1ccc(SCC(=O)ONC(=N)c2ccc(Cl)cc2)cc1 ZINC000005047616 210374862 /nfs/dbraw/zinc/37/48/62/210374862.db2.gz VAQMLPFCFMXJJQ-UHFFFAOYSA-N 0 0 334.828 3.604 50 30 EHEARN CSc1nc2n(n1)[C@@H](c1sccc1C)C1C(=O)C[C@@H](C)CC1=N2 ZINC000004998967 210355594 /nfs/dbraw/zinc/35/55/94/210355594.db2.gz NSNPHWHPWDWBRF-ISVAXAHUSA-N 0 0 346.481 3.638 50 30 EHEARN CCSC1=N/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)S1 ZINC000004954227 210339073 /nfs/dbraw/zinc/33/90/73/210339073.db2.gz NHZIHWHBZMQFCX-POHAHGRESA-N 0 0 328.802 3.972 50 30 EHEARN O=C1N/C(=N\N=C\c2cccs2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000004973860 210345188 /nfs/dbraw/zinc/34/51/88/210345188.db2.gz CZMIHGKZSLTWDH-LFMVTYOGSA-N 0 0 349.868 3.566 50 30 EHEARN N#Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000000038722 208555041 /nfs/dbraw/zinc/55/50/41/208555041.db2.gz KXUHUQWLILOAEE-BQYQJAHWSA-N 0 0 339.376 3.669 50 30 EHEARN O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004916085 210321935 /nfs/dbraw/zinc/32/19/35/210321935.db2.gz JQUPOGNEFQBMFQ-GXTWGEPZSA-N 0 0 341.407 3.892 50 30 EHEARN Cc1sc2ncnc([N-][NH+]=Cc3ccc(N(C)C)cc3)c2c1C ZINC000004819600 210286593 /nfs/dbraw/zinc/28/65/93/210286593.db2.gz NNHHHIIGUDJDOA-AWQFTUOYSA-N 0 0 325.441 3.820 50 30 EHEARN N#Cc1cccc(OCc2ccccc2I)c1 ZINC000004807228 210281144 /nfs/dbraw/zinc/28/11/44/210281144.db2.gz RSQDPUNHKBFQCI-UHFFFAOYSA-N 0 0 335.144 3.742 50 30 EHEARN O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc2ccccc21 ZINC000004756311 210271727 /nfs/dbraw/zinc/27/17/27/210271727.db2.gz WPTXITKXQDICNQ-RONKMWSCSA-N 0 0 349.415 3.597 50 30 EHEARN N#CCC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000188147272 257952717 /nfs/dbraw/zinc/95/27/17/257952717.db2.gz ZEFXXLUBFZTRDU-INIZCTEOSA-N 0 0 347.187 3.707 50 30 EHEARN N#Cc1ccc(N2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000267479529 257943005 /nfs/dbraw/zinc/94/30/05/257943005.db2.gz BRCQJLHRFQMYNC-XJKSGUPXSA-N 0 0 343.408 3.620 50 30 EHEARN CSC(=NS(=O)(=O)c1ccc(Cl)c(Cl)c1)SC ZINC000000139088 258047656 /nfs/dbraw/zinc/04/76/56/258047656.db2.gz OMRNAZABQRCIQT-UHFFFAOYSA-N 0 0 330.283 3.764 50 30 EHEARN CCOC(=O)Cc1cccc(NC(=O)[C@H](C)c2ccccc2)c1O ZINC000330033215 258002422 /nfs/dbraw/zinc/00/24/22/258002422.db2.gz XLKSANKQGDGJLJ-CYBMUJFWSA-N 0 0 327.380 3.890 50 30 EHEARN C=CCn1c(C)nnc1SCC(=O)N[C@@H](CCC)c1ccccc1 ZINC000012848991 258017162 /nfs/dbraw/zinc/01/71/62/258017162.db2.gz WFMJHBDYNNARHM-INIZCTEOSA-N 0 0 344.484 3.522 50 30 EHEARN O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095681825 258067315 /nfs/dbraw/zinc/06/73/15/258067315.db2.gz NRHPPSVQCZAEGQ-UHFFFAOYSA-N 0 0 330.068 3.627 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000131100199 533596131 /nfs/dbraw/zinc/59/61/31/533596131.db2.gz DAUFVDWGXAODQB-SECBINFHSA-N 0 0 335.820 3.624 50 30 EHEARN N#Cc1c(N)nc(-c2ccc(N3CCCCC3)cc2)cc1[C@@H]1CCOC1 ZINC000071639381 132814543 /nfs/dbraw/zinc/81/45/43/132814543.db2.gz LSZBWIWPUPQUGJ-MRXNPFEDSA-N 0 0 348.450 3.697 50 30 EHEARN Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000122077892 222010434 /nfs/dbraw/zinc/01/04/34/222010434.db2.gz UUFDOQVOIYJVEJ-UHFFFAOYSA-N 0 0 347.465 3.580 50 30 EHEARN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Cl)cc1Br ZINC000122688719 222137356 /nfs/dbraw/zinc/13/73/56/222137356.db2.gz NVJAEUQQJGYOEU-NSHDSACASA-N 0 0 329.625 3.771 50 30 EHEARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000240934403 518221047 /nfs/dbraw/zinc/22/10/47/518221047.db2.gz JBVNBBXAMBZTMQ-ZUHHCLADSA-N 0 0 328.452 3.614 50 30 EHEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccnc1 ZINC000043761255 518467588 /nfs/dbraw/zinc/46/75/88/518467588.db2.gz KGXNHYXXNMLIDD-YBFXNURJSA-N 0 0 339.380 3.949 50 30 EHEARN CC(=NNc1nnc(SCc2ccccc2C)[nH]1)c1ccncc1 ZINC000020608377 518468903 /nfs/dbraw/zinc/46/89/03/518468903.db2.gz DRUIOKGRQCNYHQ-DEDYPNTBSA-N 0 0 338.440 3.637 50 30 EHEARN C=CCN(C[C@@H]1CC(c2ccccc2C)=NO1)C(=O)CC(C)(C)C ZINC000006873524 518773744 /nfs/dbraw/zinc/77/37/44/518773744.db2.gz LWDDVDQVOHEIQW-INIZCTEOSA-N 0 0 328.456 3.939 50 30 EHEARN C=CCOc1cccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 ZINC000005428897 519051363 /nfs/dbraw/zinc/05/13/63/519051363.db2.gz YVLXCPKMBGQKCJ-UHFFFAOYSA-N 0 0 349.390 3.574 50 30 EHEARN C=CCn1c(SCC(=O)OC(C)(C)C)nnc1-c1ccccc1F ZINC000004356558 519229526 /nfs/dbraw/zinc/22/95/26/519229526.db2.gz STVAMGNIEAYDEV-UHFFFAOYSA-N 0 0 349.431 3.704 50 30 EHEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 ZINC000000533329 519238846 /nfs/dbraw/zinc/23/88/46/519238846.db2.gz PFZPEUZUJSZSCU-UHFFFAOYSA-N 0 0 333.420 3.690 50 30 EHEARN COc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)cc1OC(F)F ZINC000064926082 523400167 /nfs/dbraw/zinc/40/01/67/523400167.db2.gz GITKRSIYJJNATI-FNORWQNLSA-N 0 0 336.338 3.543 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)CC1CCCC1 ZINC000003365223 524035435 /nfs/dbraw/zinc/03/54/35/524035435.db2.gz URISUGYFTKXVSX-CPNJWEJPSA-N 0 0 341.451 3.991 50 30 EHEARN CSc1nncn1/N=C/c1ccc(COc2ccccc2Cl)o1 ZINC000036611434 526229372 /nfs/dbraw/zinc/22/93/72/526229372.db2.gz NDLNRHRJYWNWFL-QGMBQPNBSA-N 0 0 348.815 3.708 50 30 EHEARN N#CCCN(C(=O)C1CCSCC1)C12CC3CC(CC(C3)C1)C2 ZINC000253431106 526448358 /nfs/dbraw/zinc/44/83/58/526448358.db2.gz QDCXKMAGDYCOBA-UHFFFAOYSA-N 0 0 332.513 3.841 50 30 EHEARN N#C[C@@H](C(=O)CCCC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000048813224 526489419 /nfs/dbraw/zinc/48/94/19/526489419.db2.gz MCHUQELDBDRNRR-HNNXBMFYSA-N 0 0 349.365 3.931 50 30 EHEARN Cn1nccc1C(=O)/C=C\c1ccc(COc2ccc(F)cc2F)o1 ZINC000006827531 527593112 /nfs/dbraw/zinc/59/31/12/527593112.db2.gz PZEFARPJUAIWFI-WAYWQWQTSA-N 0 0 344.317 3.766 50 30 EHEARN COc1ccc(CN(CCc2ccccn2)c2ccc(C#N)cn2)cc1 ZINC000225462534 536858420 /nfs/dbraw/zinc/85/84/20/536858420.db2.gz KOMRSPJNNICICO-UHFFFAOYSA-N 0 0 344.418 3.606 50 30 EHEARN C#Cc1cccc(/N=C/c2cc(Br)cc(OC)c2O)c1 ZINC000017129761 563837766 /nfs/dbraw/zinc/83/77/66/563837766.db2.gz MPZLPXOHUIWEFJ-VCHYOVAHSA-N 0 0 330.181 3.895 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1sccc1C ZINC000000148522 563245149 /nfs/dbraw/zinc/24/51/49/563245149.db2.gz WYXLNQJYPQLDTI-INIZCTEOSA-N 0 0 345.464 3.834 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(CC)cc1 ZINC000000195063 563257679 /nfs/dbraw/zinc/25/76/79/563257679.db2.gz HSNPKUVSRWSWLV-IBGZPJMESA-N 0 0 339.435 3.780 50 30 EHEARN CCOc1ccc(NC=C2C(=O)CC(c3ccco3)CC2=O)cc1 ZINC000000228077 563263430 /nfs/dbraw/zinc/26/34/30/563263430.db2.gz LVMKDGQXYCGIMF-UHFFFAOYSA-N 0 0 325.364 3.690 50 30 EHEARN CC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000275251 563270799 /nfs/dbraw/zinc/27/07/99/563270799.db2.gz LSQZKIQSQHZVQS-UHFFFAOYSA-N 0 0 325.751 3.831 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1Cc1ccccc1 ZINC000000408673 563307613 /nfs/dbraw/zinc/30/76/13/563307613.db2.gz HQKRQEZGUOQHOU-OAHLLOKOSA-N 0 0 339.435 3.539 50 30 EHEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccnc2)cc1 ZINC000000457599 563324860 /nfs/dbraw/zinc/32/48/60/563324860.db2.gz JEEIVAJZEQFQBI-UDWIEESQSA-N 0 0 337.452 3.809 50 30 EHEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)cc1 ZINC000008407990 563629718 /nfs/dbraw/zinc/62/97/18/563629718.db2.gz MYLVYOMRLGAEFB-KRWDZBQOSA-N 0 0 346.427 3.534 50 30 EHEARN C/N=C1\S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1C ZINC000013801495 563724163 /nfs/dbraw/zinc/72/41/63/563724163.db2.gz UMWYQCZJLRYHBN-GULLIVQYSA-N 0 0 330.434 3.963 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000016971711 563827577 /nfs/dbraw/zinc/82/75/77/563827577.db2.gz NAGKIQZBJSKCBT-HNNXBMFYSA-N 0 0 345.757 3.687 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000013476509 563876902 /nfs/dbraw/zinc/87/69/02/563876902.db2.gz CDZYZQRXDDVLME-DHZHZOJOSA-N 0 0 340.267 3.836 50 30 EHEARN CC(C)(C(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(C#N)c1 ZINC000072298612 563912434 /nfs/dbraw/zinc/91/24/34/563912434.db2.gz FBAXFTRMNNPMFR-OAHLLOKOSA-N 0 0 339.464 3.699 50 30 EHEARN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(C#N)cs1 ZINC000177061026 563914601 /nfs/dbraw/zinc/91/46/01/563914601.db2.gz NTDPYUYGHSZQBG-NHYWBVRUSA-N 0 0 346.839 3.875 50 30 EHEARN CN1c2cc([N+](=O)[O-])ccc2C(C)(C)/C1=C\C=C\C(=O)C(F)(F)F ZINC000033672991 563916352 /nfs/dbraw/zinc/91/63/52/563916352.db2.gz KCJLPQRTTQRTOK-XHTJEAMOSA-N 0 0 340.301 3.894 50 30 EHEARN Cc1c(/N=C/c2ccc([N+](=O)[O-])s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101021797 563923081 /nfs/dbraw/zinc/92/30/81/563923081.db2.gz BEFMOXCQUQDPCP-AWNIVKPZSA-N 0 0 336.285 3.532 50 30 EHEARN C=C(C)COc1cccc(NC(=O)N(Cc2nccn2C)C2CC2)c1 ZINC000299788661 563929776 /nfs/dbraw/zinc/92/97/76/563929776.db2.gz ZDHDHVIWKSNTQQ-UHFFFAOYSA-N 0 0 340.427 3.572 50 30 EHEARN COc1ccc(C[C@H](C#N)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1 ZINC000057524938 563935696 /nfs/dbraw/zinc/93/56/96/563935696.db2.gz GCVVWTPCCKRMIX-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN CCn1nc(C)c(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)c1C ZINC000060370924 563935916 /nfs/dbraw/zinc/93/59/16/563935916.db2.gz ULMMRQZKRPXISE-VAWYXSNFSA-N 0 0 337.423 3.543 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)CC(=O)N3)ccc1SC ZINC000058230293 563940467 /nfs/dbraw/zinc/94/04/67/563940467.db2.gz OYLHSGPZYJLIRH-XVNBXDOJSA-N 0 0 339.416 3.808 50 30 EHEARN O=C1c2ccc(Br)cc2OCC/C1=C\c1cccnc1 ZINC000058564100 563946817 /nfs/dbraw/zinc/94/68/17/563946817.db2.gz IKNRDTFUKBTZBG-XYOKQWHBSA-N 0 0 330.181 3.893 50 30 EHEARN CCOC(=O)c1ccc(OCC#Cc2ccc(C(F)(F)F)cn2)cc1 ZINC000003126393 563949048 /nfs/dbraw/zinc/94/90/48/563949048.db2.gz VRHAWSUBQLBDDB-UHFFFAOYSA-N 0 0 349.308 3.708 50 30 EHEARN COc1ccccc1[C@H](C#N)NC(=O)c1cc(C)c(F)cc1Cl ZINC000096470246 563954469 /nfs/dbraw/zinc/95/44/69/563954469.db2.gz QYMZYVSZTDVSKS-HNNXBMFYSA-N 0 0 332.762 3.791 50 30 EHEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2cccc(C)c2C)c1 ZINC000098212455 563982236 /nfs/dbraw/zinc/98/22/36/563982236.db2.gz ZNDSTSCRMNKINH-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN N#Cc1ccccc1-c1nccn1Cc1ccc(-n2cccn2)cc1 ZINC000071752235 563982998 /nfs/dbraw/zinc/98/29/98/563982998.db2.gz ZMRMFLIXUJKAIL-UHFFFAOYSA-N 0 0 325.375 3.656 50 30 EHEARN N#Cc1c(N)nc(-c2cc[nH]c2)cc1-c1cc2c(cc1Cl)OCO2 ZINC000071765621 563983041 /nfs/dbraw/zinc/98/30/41/563983041.db2.gz FBHOWSJSCVXGBJ-UHFFFAOYSA-N 0 0 338.754 3.580 50 30 EHEARN C=CCN(CCc1ccco1)C(=O)Cc1ccccc1Br ZINC000095466175 563983425 /nfs/dbraw/zinc/98/34/25/563983425.db2.gz NPZWVLCPCQFWNG-UHFFFAOYSA-N 0 0 348.240 3.842 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(C#N)c2)cc1 ZINC000408515810 563993044 /nfs/dbraw/zinc/99/30/44/563993044.db2.gz UDUAMOYNAKKNBK-UHFFFAOYSA-N 0 0 333.391 3.826 50 30 EHEARN C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1)OCC ZINC000270110348 563997736 /nfs/dbraw/zinc/99/77/36/563997736.db2.gz SJZQTASHAVWTDE-MSOLQXFVSA-N 0 0 341.455 3.906 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1OC ZINC000000428091 563998864 /nfs/dbraw/zinc/99/88/64/563998864.db2.gz CYMZGBHTMRBKGS-HNAYVOBHSA-N 0 0 340.375 3.608 50 30 EHEARN Cc1nc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(C#N)c(C)c1C ZINC000005172685 563999910 /nfs/dbraw/zinc/99/99/10/563999910.db2.gz NGDSILBJNKZPOY-RYUDHWBXSA-N 0 0 331.485 3.760 50 30 EHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000005504953 564004801 /nfs/dbraw/zinc/00/48/01/564004801.db2.gz JETOWZXVANWBQB-MRXNPFEDSA-N 0 0 344.773 3.990 50 30 EHEARN CS(=O)(=O)c1scc(-c2cccc(C(F)(F)F)c2)c1C#N ZINC000000125074 564013353 /nfs/dbraw/zinc/01/33/53/564013353.db2.gz CAXJJIBJEXPVIF-UHFFFAOYSA-N 0 0 331.340 3.709 50 30 EHEARN COc1ccc(/C=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1 ZINC000000486048 564017116 /nfs/dbraw/zinc/01/71/16/564017116.db2.gz RJSZCUGBCVPEBX-YBEGLDIGSA-N 0 0 334.327 3.726 50 30 biogenic EHEARN N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccco1 ZINC000103503459 564022526 /nfs/dbraw/zinc/02/25/26/564022526.db2.gz XKRKTVXDSIEKQV-LLVKDONJSA-N 0 0 336.319 3.555 50 30 EHEARN CCO[C@H]1Oc2ccc(C)cc2C(=O)C1=CNc1ccccc1O ZINC000103835433 564023176 /nfs/dbraw/zinc/02/31/76/564023176.db2.gz GOSLQEDDFZDXTC-RNUYOQPASA-N 0 0 325.364 3.634 50 30 EHEARN O=C(C(=NNc1ccc(F)cc1)C(=O)C(F)(F)F)c1ccccc1 ZINC000006474565 564025138 /nfs/dbraw/zinc/02/51/38/564025138.db2.gz MSVPCKFTAZNGCA-XKZIYDEJSA-N 0 0 338.260 3.608 50 30 EHEARN CS/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000028294863 564031726 /nfs/dbraw/zinc/03/17/26/564031726.db2.gz DCRSDJWANVVQKQ-PEZBUJJGSA-N 0 0 332.341 3.640 50 30 EHEARN CC1(C)CC(=O)C(=NNc2ccc(SC(F)F)cc2)C(=O)C1 ZINC000003171196 564034298 /nfs/dbraw/zinc/03/42/98/564034298.db2.gz KMMUGDDQADYLGK-UHFFFAOYSA-N 0 0 326.368 3.727 50 30 EHEARN C=CCc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(OC)c1O ZINC000001018437 564054061 /nfs/dbraw/zinc/05/40/61/564054061.db2.gz SUAXLFAOOACHBY-ZROIWOOFSA-N 0 0 333.409 3.574 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C ZINC000257357865 564055976 /nfs/dbraw/zinc/05/59/76/564055976.db2.gz QLULPRPVLIPVFS-GWVMINLOSA-N 0 0 332.484 3.727 50 30 EHEARN CCOc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O ZINC000005900672 564056887 /nfs/dbraw/zinc/05/68/87/564056887.db2.gz RVQQHGIEKYJUMH-YVLHZVERSA-N 0 0 326.348 3.719 50 30 biogenic EHEARN C[C@@H](SCc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1 ZINC000063484954 564057625 /nfs/dbraw/zinc/05/76/25/564057625.db2.gz ONGSCZIZRIBDNO-MRXNPFEDSA-N 0 0 339.464 3.646 50 30 EHEARN N#Cc1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)Cl ZINC000002766614 564062598 /nfs/dbraw/zinc/06/25/98/564062598.db2.gz DMZSGQCIHNITHM-VXGBXAGGSA-N 0 0 326.709 3.823 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000248380263 564063469 /nfs/dbraw/zinc/06/34/69/564063469.db2.gz PMRSMIYEHNIQME-XOYOTBSWSA-N 0 0 326.440 3.801 50 30 EHEARN Cc1cc(C)c(CN2c3cc(C#N)ccc3N3CCC[C@H]3C2=O)c(C)c1 ZINC000001386696 564063964 /nfs/dbraw/zinc/06/39/64/564063964.db2.gz FCOQNCDLWAQCSS-FQEVSTJZSA-N 0 0 345.446 3.999 50 30 EHEARN COC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1C ZINC000001382959 564064046 /nfs/dbraw/zinc/06/40/46/564064046.db2.gz ZPSUDLUWJKIZJE-UHFFFAOYSA-N 0 0 336.269 3.859 50 30 EHEARN O=C(CON=C1C2CC3CC(C2)CC1C3)N1CCCc2ccccc21 ZINC000006048097 564072764 /nfs/dbraw/zinc/07/27/64/564072764.db2.gz PNDSFVMCWVENEY-UHFFFAOYSA-N 0 0 338.451 3.795 50 30 EHEARN CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000006073679 564073487 /nfs/dbraw/zinc/07/34/87/564073487.db2.gz WMUWNKGCSTUYSI-ZSOIEALJSA-N 0 0 346.795 3.706 50 30 EHEARN N#Cc1ccc(-c2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 ZINC000006079136 564073548 /nfs/dbraw/zinc/07/35/48/564073548.db2.gz AQHJLBZIQAKGTN-UHFFFAOYSA-N 0 0 339.358 3.993 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)C(C(=O)OCC)=C1C ZINC000014010476 564074037 /nfs/dbraw/zinc/07/40/37/564074037.db2.gz SQGUHQSHUXAYNF-PTNGSMBKSA-N 0 0 331.799 3.589 50 30 EHEARN CCc1nnc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)s1 ZINC000016468235 564074439 /nfs/dbraw/zinc/07/44/39/564074439.db2.gz MTZWNCREQOIJFH-UHFFFAOYSA-N 0 0 333.416 3.753 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)SC1=S ZINC000001156804 564074679 /nfs/dbraw/zinc/07/46/79/564074679.db2.gz OEDUYTFUAWNZIG-RVDMUPIBSA-N 0 0 349.477 3.871 50 30 EHEARN C[C@H]1CCc2sc(NC(=O)c3ccccc3[N+](=O)[O-])c(C#N)c2C1 ZINC000001518228 564075699 /nfs/dbraw/zinc/07/56/99/564075699.db2.gz CTRKGZOKRRAQQW-JTQLQIEISA-N 0 0 341.392 3.905 50 30 EHEARN COc1ccc(-c2nnc(SCC(C)(C)CC#N)o2)cc1OC ZINC000521394963 564076703 /nfs/dbraw/zinc/07/67/03/564076703.db2.gz IFZHSBILGDVQCJ-UHFFFAOYSA-N 0 0 333.413 3.786 50 30 EHEARN C=CCNC(=O)c1ccccc1NC(=O)c1cc(CC)c(C)s1 ZINC000027391886 564079116 /nfs/dbraw/zinc/07/91/16/564079116.db2.gz SBDCBKUCCCSDTM-UHFFFAOYSA-N 0 0 328.437 3.787 50 30 EHEARN N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000088547119 564079556 /nfs/dbraw/zinc/07/95/56/564079556.db2.gz LZWFRWJZTJDHRT-UHFFFAOYSA-N 0 0 327.192 3.666 50 30 EHEARN C#Cc1cccc(N(C(=O)c2cnn(-c3ccncc3)c2C)C(C)C)c1 ZINC000090553874 564084724 /nfs/dbraw/zinc/08/47/24/564084724.db2.gz LIBRALUAVHAOMS-UHFFFAOYSA-N 0 0 344.418 3.612 50 30 EHEARN N#CCn1c(=O)c2ccccc2nc1CSc1ccccc1Cl ZINC000006351973 564085248 /nfs/dbraw/zinc/08/52/48/564085248.db2.gz JELYIZAHHKVLKJ-UHFFFAOYSA-N 0 0 341.823 3.866 50 30 EHEARN CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000018010622 564085652 /nfs/dbraw/zinc/08/56/52/564085652.db2.gz GSBQFGQUPNCBHL-SFHVURJKSA-N 0 0 333.362 3.983 50 30 EHEARN C[C@@H](c1nnc(COc2ccc(C#N)cc2)o1)N(C)Cc1ccccc1 ZINC000521393734 564090856 /nfs/dbraw/zinc/09/08/56/564090856.db2.gz OOUULGPWNQATFJ-HNNXBMFYSA-N 0 0 348.406 3.713 50 30 EHEARN C=CCN(C(=O)c1cccnc1OCC)c1nc2c(s1)CCCC2 ZINC000006579941 564092198 /nfs/dbraw/zinc/09/21/98/564092198.db2.gz XCULGSIVEFZCJJ-UHFFFAOYSA-N 0 0 343.452 3.648 50 30 EHEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1 ZINC000016661702 564092180 /nfs/dbraw/zinc/09/21/80/564092180.db2.gz LEGZHSOCPCFNHJ-ATVHPVEESA-N 0 0 337.448 3.953 50 30 EHEARN C[C@H](Sc1ncnc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000006579170 564092213 /nfs/dbraw/zinc/09/22/13/564092213.db2.gz VGFYMDMTGCWKRK-LBPRGKRZSA-N 0 0 334.404 3.621 50 30 EHEARN CC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)ccc1O ZINC000426360090 564093460 /nfs/dbraw/zinc/09/34/60/564093460.db2.gz GLXBNERLCOGHJI-HNNXBMFYSA-N 0 0 348.402 3.638 50 30 EHEARN COc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCCC1 ZINC000064915902 564097640 /nfs/dbraw/zinc/09/76/40/564097640.db2.gz GMNILEBIOVKAOK-UHFFFAOYSA-N 0 0 336.439 3.898 50 30 EHEARN C=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000007002485 564103006 /nfs/dbraw/zinc/10/30/06/564103006.db2.gz GXBNSOGYTODFQH-UHFFFAOYSA-N 0 0 344.392 3.674 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000036623715 564103748 /nfs/dbraw/zinc/10/37/48/564103748.db2.gz QDXFZHJSKRSSQC-UHFFFAOYSA-N 0 0 331.375 3.719 50 30 EHEARN N#Cc1cccc(CN2CCCC[C@@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286269 564104386 /nfs/dbraw/zinc/10/43/86/564104386.db2.gz BAYJPNITAGTAPB-GOSISDBHSA-N 0 0 345.406 3.730 50 30 EHEARN Cc1nc(C#N)c(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)o1 ZINC000238899623 564105619 /nfs/dbraw/zinc/10/56/19/564105619.db2.gz GVWYFCIORRRCBO-AWEZNQCLSA-N 0 0 338.333 3.588 50 30 EHEARN CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000065565048 564107056 /nfs/dbraw/zinc/10/70/56/564107056.db2.gz NVMPOKFBAWGDTK-FQEVSTJZSA-N 0 0 349.434 3.595 50 30 EHEARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)NCCCCC#N)c12 ZINC000170621212 564110204 /nfs/dbraw/zinc/11/02/04/564110204.db2.gz KCACPZXOLOTVHE-UHFFFAOYSA-N 0 0 348.406 3.930 50 30 EHEARN Cc1ccc(OCCCON=C2CCC3(CC2)OCCO3)cc1C ZINC000071817045 564111197 /nfs/dbraw/zinc/11/11/97/564111197.db2.gz ZDPLEZWOEYEKSC-UHFFFAOYSA-N 0 0 333.428 3.762 50 30 EHEARN C=CCn1c(Sc2nc3ccccc3o2)nnc1-c1ccccn1 ZINC000152393960 564112160 /nfs/dbraw/zinc/11/21/60/564112160.db2.gz GSIKQVUFKUMMFT-UHFFFAOYSA-N 0 0 335.392 3.819 50 30 EHEARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(C#N)cc3)cc2)cs1 ZINC000014673377 564113173 /nfs/dbraw/zinc/11/31/73/564113173.db2.gz ROCOHLFANCEFRX-UHFFFAOYSA-N 0 0 347.443 3.963 50 30 EHEARN CC[C@@](C)(NC(=O)Nc1cccc(OCC#N)c1)c1nc(C)cs1 ZINC000076069246 564115370 /nfs/dbraw/zinc/11/53/70/564115370.db2.gz VSCZRBVYZHVHQT-QGZVFWFLSA-N 0 0 344.440 3.801 50 30 EHEARN CC(=O)c1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)ccc1C ZINC000193170567 564118689 /nfs/dbraw/zinc/11/86/89/564118689.db2.gz BEHPAKCCFOLOSW-UHFFFAOYSA-N 0 0 326.783 3.999 50 30 EHEARN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Cl)c2C)cc1 ZINC000193817938 564120314 /nfs/dbraw/zinc/12/03/14/564120314.db2.gz YTLSODAKWKHMHT-OAHLLOKOSA-N 0 0 342.782 3.618 50 30 EHEARN COc1ccc2c(c1)OCCC2=NOC(=O)c1ccccc1Cl ZINC000252612967 564121908 /nfs/dbraw/zinc/12/19/08/564121908.db2.gz IYAQWWIHPHCIJN-UHFFFAOYSA-N 0 0 331.755 3.692 50 30 EHEARN Cn1c2ccccc2c2nnc(N=NCc3ccccc3Cl)nc21 ZINC000252628308 564123448 /nfs/dbraw/zinc/12/34/48/564123448.db2.gz SNFUYYIYWZUKDH-UHFFFAOYSA-N 0 0 336.786 3.616 50 30 EHEARN COc1ccc(C=NOC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000252628185 564123455 /nfs/dbraw/zinc/12/34/55/564123455.db2.gz SKELNYNQIUNUJP-UHFFFAOYSA-N 0 0 334.759 3.940 50 30 EHEARN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1ccccn1 ZINC000066230669 564125454 /nfs/dbraw/zinc/12/54/54/564125454.db2.gz TVEQLOTWBPBBQN-VXGBXAGGSA-N 0 0 334.297 3.744 50 30 EHEARN CN(CCC#N)C(=O)C[C@@]1(Cc2ccccc2)CCOC(C)(C)C1 ZINC000002281336 564130209 /nfs/dbraw/zinc/13/02/09/564130209.db2.gz XREQCJVSPSAAIS-FQEVSTJZSA-N 0 0 328.456 3.567 50 30 EHEARN N#Cc1c(Cl)csc1NC(=O)Cc1cc(F)c(F)cc1F ZINC000253425536 564131136 /nfs/dbraw/zinc/13/11/36/564131136.db2.gz FPGNAQVKEZHEFT-UHFFFAOYSA-N 0 0 330.718 3.872 50 30 EHEARN CC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000000090132 564132802 /nfs/dbraw/zinc/13/28/02/564132802.db2.gz KUKBWZZMZKCEKL-UHFFFAOYSA-N 0 0 331.485 3.559 50 30 EHEARN CC(=O)[C@@]12C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1O2 ZINC000253530406 564132968 /nfs/dbraw/zinc/13/29/68/564132968.db2.gz AEJAEAUKXCTTKY-PCDHIXHISA-N 0 0 330.468 3.647 50 30 biogenic EHEARN O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1O ZINC000013143831 564133821 /nfs/dbraw/zinc/13/38/21/564133821.db2.gz OOYSLGQXDWEJJM-MRXNPFEDSA-N 0 0 340.770 3.686 50 30 EHEARN CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(C#N)c2)s1 ZINC000076084970 564133868 /nfs/dbraw/zinc/13/38/68/564133868.db2.gz YLNGCSVUCGPBQD-ZDUSSCGKSA-N 0 0 342.468 3.788 50 30 EHEARN N#Cc1cccc(N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)n1 ZINC000067856861 564134916 /nfs/dbraw/zinc/13/49/16/564134916.db2.gz JENHCPITUVTGCR-UHFFFAOYSA-N 0 0 343.434 3.651 50 30 EHEARN O=C(/C=C/c1cccc(Br)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012741294 564135523 /nfs/dbraw/zinc/13/55/23/564135523.db2.gz AWJCNOILBQPAPG-QPJJXVBHSA-N 0 0 343.180 3.515 50 30 EHEARN C[C@H]1CN(C(=O)Nc2cn(Cc3ccccc3)nn2)[C@H]1c1ccccc1 ZINC000328587967 564136583 /nfs/dbraw/zinc/13/65/83/564136583.db2.gz KPUYZJUVTJKQRQ-HNAYVOBHSA-N 0 0 347.422 3.565 50 30 EHEARN CCCC[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000328591026 564136700 /nfs/dbraw/zinc/13/67/00/564136700.db2.gz CJONBDOKSOOCTH-QBIMZIAESA-N 0 0 329.444 3.669 50 30 EHEARN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2nc(C)c(C)o2)C12CCCCC2 ZINC000328593152 564136766 /nfs/dbraw/zinc/13/67/66/564136766.db2.gz JSKDCSKBEJPSJQ-LSDHHAIUSA-N 0 0 335.448 3.897 50 30 EHEARN O=C(NCc1ccc(N2CCCCC2)nc1)[C@H]1CCc2cccnc21 ZINC000328592711 564136767 /nfs/dbraw/zinc/13/67/67/564136767.db2.gz MYHFXXDPEMAUAT-KRWDZBQOSA-N 0 0 336.439 3.653 50 30 EHEARN CCCCCCCCCCCCS[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000095870224 564141886 /nfs/dbraw/zinc/14/18/86/564141886.db2.gz AGKMSAQHASAIOF-HZPDHXFCSA-N 0 0 336.563 3.798 50 30 EHEARN CC(=O)c1ccc(C#N)cc1NCCCn1c(C)nc2ccccc21 ZINC000096006351 564144538 /nfs/dbraw/zinc/14/45/38/564144538.db2.gz QGEXOXPDKXHEMW-UHFFFAOYSA-N 0 0 332.407 3.921 50 30 EHEARN N#Cc1nccnc1Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000096408691 564147509 /nfs/dbraw/zinc/14/75/09/564147509.db2.gz IBYZQQWPPFRNSE-DEOSSOPVSA-N 0 0 340.452 3.673 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000022318244 564149084 /nfs/dbraw/zinc/14/90/84/564149084.db2.gz BKVQHLUFGRFGOM-ZDUSSCGKSA-N 0 0 347.378 3.727 50 30 EHEARN COc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cc1C#N ZINC000097084923 564149372 /nfs/dbraw/zinc/14/93/72/564149372.db2.gz WMXFUHHIQCQZKY-QHCPKHFHSA-N 0 0 348.855 3.711 50 30 EHEARN COCc1c2ccccc2oc1C(=O)OCc1cc(C#N)ccc1F ZINC000029874682 564154457 /nfs/dbraw/zinc/15/44/57/564154457.db2.gz AMHQHKNUJINVNM-UHFFFAOYSA-N 0 0 339.322 3.947 50 30 EHEARN Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)cc1 ZINC000003176891 564155617 /nfs/dbraw/zinc/15/56/17/564155617.db2.gz HZZKJWHIZAWROF-UHFFFAOYSA-N 0 0 337.448 3.871 50 30 EHEARN COc1cc(C2SCCS2)ccc1Oc1nccnc1C#N ZINC000058357005 564158846 /nfs/dbraw/zinc/15/88/46/564158846.db2.gz BZQMLCQACUZBTA-UHFFFAOYSA-N 0 0 331.422 3.628 50 30 EHEARN Cc1ccc2c(c1)/C(=N\N=C1/C[C@H](c3ccccc3)N=N1)C(=O)N2C ZINC000004184931 564161068 /nfs/dbraw/zinc/16/10/68/564161068.db2.gz ZXQMACJDUQSWQI-WISUFFKOSA-N 0 0 331.379 3.671 50 30 EHEARN CCOCCCNc1oc(/C=C/c2ccccc2OC)nc1C#N ZINC000008253220 564163838 /nfs/dbraw/zinc/16/38/38/564163838.db2.gz XMEJCGWCOYUJJE-MDZDMXLPSA-N 0 0 327.384 3.564 50 30 EHEARN C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccnc1 ZINC000066954168 564164821 /nfs/dbraw/zinc/16/48/21/564164821.db2.gz OCLTZMNCUBIDTF-CYBMUJFWSA-N 0 0 326.425 3.798 50 30 EHEARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCc1ccc(C#N)cc1 ZINC000008394895 564165103 /nfs/dbraw/zinc/16/51/03/564165103.db2.gz JULRHADHXMICIA-UHFFFAOYSA-N 0 0 349.365 3.857 50 30 EHEARN CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(Cl)s1 ZINC000008473578 564165393 /nfs/dbraw/zinc/16/53/93/564165393.db2.gz MVOPXUMTOJKQQV-UHFFFAOYSA-N 0 0 339.892 3.518 50 30 EHEARN N#Cc1ccc(NCC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000069462191 564169734 /nfs/dbraw/zinc/16/97/34/564169734.db2.gz HRGAOCKJKAOESM-LJQANCHMSA-N 0 0 334.423 3.509 50 30 EHEARN CCOc1cccc(C(=O)/C=C/c2csc(-c3ncccn3)n2)c1 ZINC000071839109 564175853 /nfs/dbraw/zinc/17/58/53/564175853.db2.gz MZNYHHPTRFBFQX-BQYQJAHWSA-N 0 0 337.404 3.895 50 30 EHEARN C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1csc2ccccc21 ZINC000071880098 564176349 /nfs/dbraw/zinc/17/63/49/564176349.db2.gz VQZCJRHOMKAVSS-GFCCVEGCSA-N 0 0 349.415 3.589 50 30 EHEARN FC(F)(F)c1cccc(CON=C2CCC3(CC2)OCCO3)c1 ZINC000077377747 564176683 /nfs/dbraw/zinc/17/66/83/564176683.db2.gz JPEWMEPEBCSIPC-UHFFFAOYSA-N 0 0 329.318 3.895 50 30 EHEARN Cc1[nH]c2c(cc(C)cc2CNC(=O)COc2cccc(C#N)c2)c1C ZINC000048364034 568417968 /nfs/dbraw/zinc/41/79/68/568417968.db2.gz XUSDYNABEWHJHU-UHFFFAOYSA-N 0 0 347.418 3.660 50 30 EHEARN CCN(CC)c1ccc(C=[NH+][N-]c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000254624090 1018794950 /nfs/dbraw/zinc/79/49/50/1018794950.db2.gz ODLICNDBJFJWGG-UHFFFAOYSA-N 0 0 328.372 3.593 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 ZINC000190711861 1030921101 /nfs/dbraw/zinc/92/11/01/1030921101.db2.gz UELWAWXOJUVVPY-CQSZACIVSA-N 0 0 343.452 3.883 50 30 EHEARN Cc1cnn(CCNC(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000329341881 1038714066 /nfs/dbraw/zinc/71/40/66/1038714066.db2.gz SJLJPIALKFWUNJ-UHFFFAOYSA-N 0 0 333.461 3.722 50 30 EHEARN Cc1ncc(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000329432453 1039671930 /nfs/dbraw/zinc/67/19/30/1039671930.db2.gz KPBBQIVUOKHPGT-WBVHZDCISA-N 0 0 348.397 3.525 50 30 EHEARN COc1cc(C(=O)/C=C\c2cccc3c2OCO3)ccc1OC(F)F ZINC000097152211 1039756961 /nfs/dbraw/zinc/75/69/61/1039756961.db2.gz XYHYYNXZGOPUQD-ALCCZGGFSA-N 0 0 348.301 3.921 50 30 EHEARN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCc3cc(C#N)ccc32)cc1 ZINC000333308448 1041729772 /nfs/dbraw/zinc/72/97/72/1041729772.db2.gz LHQARTPJRWPYIU-CTNGQTDRSA-N 0 0 346.430 3.924 50 30 EHEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000005101052 1042829514 /nfs/dbraw/zinc/82/95/14/1042829514.db2.gz LXTPMUVWUOYBKR-NRFANRHFSA-N 0 0 347.418 3.999 50 30 EHEARN CN(C[C@H]1CCCOC1)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000585086491 1136981998 /nfs/dbraw/zinc/98/19/98/1136981998.db2.gz PMEQASVWJJGKSF-GFCCVEGCSA-N 0 0 335.473 3.808 50 30 EHEARN CCOC(=O)c1c(N=CN(C)C)sc(C=O)c1-c1ccccc1 ZINC000886010733 1138031856 /nfs/dbraw/zinc/03/18/56/1138031856.db2.gz YUJCMNBZKNWCFD-UHFFFAOYSA-N 0 0 330.409 3.626 50 30 EHEARN COc1ccccc1-c1nc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 ZINC000052778694 214144260 /nfs/dbraw/zinc/14/42/60/214144260.db2.gz VLJQCVFVZXNEQX-UHFFFAOYSA-N 0 0 342.786 3.964 50 30 EHEARN COc1cc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000053091213 214164005 /nfs/dbraw/zinc/16/40/05/214164005.db2.gz LMZJWRAETYPEDI-SNAWJCMRSA-N 0 0 349.364 3.578 50 30 EHEARN CCOc1ccc2c(c1)s/c(=N/N=C/c1ccccc1OC)n2C ZINC000004703547 210252927 /nfs/dbraw/zinc/25/29/27/210252927.db2.gz NJFRWEWGQMEGBX-WMNPJARVSA-N 0 0 341.436 3.582 50 30 EHEARN C[C@](O)(C#CCN1CCCC[C@@H]1c1cccnc1)CCc1ccccc1 ZINC000055236057 214292879 /nfs/dbraw/zinc/29/28/79/214292879.db2.gz ZWXAFZKAAAQSKI-PKTZIBPZSA-N 0 0 348.490 3.996 50 30 biogenic EHEARN Cc1cc(-c2nc3cc(C#N)ccc3[nH]2)c(C)n1Cc1cccnc1 ZINC000055284938 214302268 /nfs/dbraw/zinc/30/22/68/214302268.db2.gz AMHAQRQGUWYAMY-UHFFFAOYSA-N 0 0 327.391 3.963 50 30 EHEARN CC(C)=NNC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000097951115 219064374 /nfs/dbraw/zinc/06/43/74/219064374.db2.gz FUXFTLKMIGPEQM-MRVPVSSYSA-N 0 0 346.149 3.533 50 30 EHEARN CCOc1cccc([C@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000063323587 214753863 /nfs/dbraw/zinc/75/38/63/214753863.db2.gz VCFHUXUHJXHCQF-HNNXBMFYSA-N 0 0 337.423 3.860 50 30 EHEARN CC[C@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1OC(C)C ZINC000058358040 214561595 /nfs/dbraw/zinc/56/15/95/214561595.db2.gz UTBOTLGXQVYJIH-KRWDZBQOSA-N 0 0 329.444 3.870 50 30 EHEARN COC(=O)c1ccc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cc1 ZINC000098056581 219075714 /nfs/dbraw/zinc/07/57/14/219075714.db2.gz MSGFCNBDRORQJI-WDZFZDKYSA-N 0 0 327.355 3.574 50 30 EHEARN CC(=O)Nc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1 ZINC000100071047 219089723 /nfs/dbraw/zinc/08/97/23/219089723.db2.gz KKGZQEOVNGAJNT-WJDWOHSUSA-N 0 0 337.404 3.537 50 30 EHEARN CCC[NH+]=Cc1c(CCC)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000100182184 219094414 /nfs/dbraw/zinc/09/44/14/219094414.db2.gz OXAVFNXLAFGGGF-WOJGMQOQSA-N 0 0 328.441 3.557 50 30 EHEARN CCC(CC)C(=O)C(C#N)=C(O)CCc1ncc(-c2ccccc2)o1 ZINC000100684492 219104200 /nfs/dbraw/zinc/10/42/00/219104200.db2.gz BTRWHDQZMXMCNA-INIZCTEOSA-N 0 0 338.407 3.988 50 30 EHEARN CC(C)(O)C#Cc1ccc(-c2nc(C3CC3)nn2-c2ccccc2)o1 ZINC000065408563 214899793 /nfs/dbraw/zinc/89/97/93/214899793.db2.gz ZLYQLLJDYNZZFA-UHFFFAOYSA-N 0 0 333.391 3.527 50 30 EHEARN CC(Nc1ccc(OCc2ccccc2)cc1)=C1C(=O)C=C(C)OC1=O ZINC000101638273 219148951 /nfs/dbraw/zinc/14/89/51/219148951.db2.gz GJJMTBUFCXUNGU-HMMYKYKNSA-N 0 0 349.386 3.981 50 30 EHEARN CO/N=C1\CS[C@H]2c3ccccc3C(=O)N2Cc2sccc21 ZINC000004108870 210121875 /nfs/dbraw/zinc/12/18/75/210121875.db2.gz SCVLSUXYUWLYKX-YKBBIGDRSA-N 0 0 330.434 3.500 50 30 EHEARN N#Cc1ccc(OC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000004023831 210101538 /nfs/dbraw/zinc/10/15/38/210101538.db2.gz CPKNZMQSNRYRSD-UHFFFAOYSA-N 0 0 345.280 3.532 50 30 EHEARN C=C(C)COc1cccc(NC(=O)c2ccc(F)c(NC(C)=O)c2)c1 ZINC000066462955 215044746 /nfs/dbraw/zinc/04/47/46/215044746.db2.gz SANFXJJJCBCWLH-UHFFFAOYSA-N 0 0 342.370 3.991 50 30 EHEARN Cc1ccc(Sc2ccc(C(=O)OCC#N)cc2[N+](=O)[O-])cc1 ZINC000003538232 210050387 /nfs/dbraw/zinc/05/03/87/210050387.db2.gz NNONRABZWKCQKT-UHFFFAOYSA-N 0 0 328.349 3.735 50 30 EHEARN C=CCn1c(SCCC#N)nnc1-c1ccc(Br)cc1 ZINC000003408318 210029818 /nfs/dbraw/zinc/02/98/18/210029818.db2.gz HJIDDAAUNUHJTC-UHFFFAOYSA-N 0 0 349.257 3.899 50 30 EHEARN N#Cc1ccc(CSc2nnc(NC(=O)c3ccco3)s2)cc1 ZINC000003341168 210013624 /nfs/dbraw/zinc/01/36/24/210013624.db2.gz RRXAVQKOFUMWHT-UHFFFAOYSA-N 0 0 342.405 3.547 50 30 EHEARN CN(Cc1ccccc1)c1ncccc1CNc1cccc(C#N)n1 ZINC000067743025 215200373 /nfs/dbraw/zinc/20/03/73/215200373.db2.gz GTCUSFNBNCKFGJ-UHFFFAOYSA-N 0 0 329.407 3.597 50 30 EHEARN CCOc1ccc(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)cc1 ZINC000067786431 215212104 /nfs/dbraw/zinc/21/21/04/215212104.db2.gz VWVRDLWFYSQMMK-UHFFFAOYSA-N 0 0 347.374 3.679 50 30 EHEARN CC[C@H](C(=O)Nc1sc(C(=O)OC)c(C)c1C#N)c1ccccc1 ZINC000002749167 209902081 /nfs/dbraw/zinc/90/20/81/209902081.db2.gz QLBJAKOHENASEL-ZDUSSCGKSA-N 0 0 342.420 3.847 50 30 EHEARN N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1ccco1 ZINC000002497610 209857843 /nfs/dbraw/zinc/85/78/43/209857843.db2.gz KEUJPAGCQVNKTD-UHFFFAOYSA-N 0 0 329.743 3.984 50 30 EHEARN CCC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000002050557 209814035 /nfs/dbraw/zinc/81/40/35/209814035.db2.gz MMLXVMFPTNEGHI-UHFFFAOYSA-N 0 0 332.219 3.585 50 30 EHEARN C[C@@H](c1ccccn1)N(C(=O)CSc1ccc(C#N)cc1)C1CC1 ZINC000069350178 215384936 /nfs/dbraw/zinc/38/49/36/215384936.db2.gz VRZQIXWXBPQLSN-AWEZNQCLSA-N 0 0 337.448 3.798 50 30 EHEARN C=CCOc1ccccc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000001923977 209805200 /nfs/dbraw/zinc/80/52/00/209805200.db2.gz DAXZIQIMUMADOH-PXLXIMEGSA-N 0 0 347.418 3.800 50 30 EHEARN CC(C)c1noc(-c2ccccc2C(=O)Nc2cccc(C#N)c2)n1 ZINC000069381669 215396224 /nfs/dbraw/zinc/39/62/24/215396224.db2.gz PGEKEOKBGGMGDV-UHFFFAOYSA-N 0 0 332.363 3.984 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)NCc2ccccc2Cl)n1 ZINC000001446050 209750414 /nfs/dbraw/zinc/75/04/14/209750414.db2.gz RAJILQRREKZAST-UHFFFAOYSA-N 0 0 345.855 3.632 50 30 EHEARN C=CCn1c(=O)cc(C(F)(F)F)nc1SCc1ccccc1 ZINC000001403051 209741481 /nfs/dbraw/zinc/74/14/81/209741481.db2.gz NSKALASARYOQOP-UHFFFAOYSA-N 0 0 326.343 3.740 50 30 EHEARN C=CCc1cc(/C=C2/SC(=S)N(CC=C)C2=O)cc(OC)c1O ZINC000001151155 209713755 /nfs/dbraw/zinc/71/37/55/209713755.db2.gz JTGJZBNEZGDJLY-GXDHUFHOSA-N 0 0 347.461 3.517 50 30 EHEARN COc1ccccc1-c1nc(C#N)c(N2CCc3ccccc3C2)o1 ZINC000000533658 209653256 /nfs/dbraw/zinc/65/32/56/209653256.db2.gz BHGCHTSXQYPASQ-UHFFFAOYSA-N 0 0 331.375 3.785 50 30 EHEARN COc1cc2c(cc1CN=NC(N)=S)oc(C)c2-c1ccccc1 ZINC000000478524 209627478 /nfs/dbraw/zinc/62/74/78/209627478.db2.gz GHMMMPFXCQHEHS-KEBDBYFISA-N 0 0 339.420 3.995 50 30 EHEARN CSc1nncn1/N=C/c1ccc(COc2cccc(Cl)c2)o1 ZINC000036611398 213100191 /nfs/dbraw/zinc/10/01/91/213100191.db2.gz XXUPONHCRDFMTA-QGMBQPNBSA-N 0 0 348.815 3.708 50 30 EHEARN CC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000036093472 213063022 /nfs/dbraw/zinc/06/30/22/213063022.db2.gz JGCAYIXBIPNGOY-OJYKYLQSSA-N 0 0 337.448 3.931 50 30 EHEARN C=CCNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C)cc1 ZINC000035562317 213038472 /nfs/dbraw/zinc/03/84/72/213038472.db2.gz SRDBRHNETDPRET-UHFFFAOYSA-N 0 0 333.391 3.644 50 30 EHEARN CCn1cc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)c2ccccc21 ZINC000071662721 215792736 /nfs/dbraw/zinc/79/27/36/215792736.db2.gz CNZZIRLUEFAOCZ-ZDUSSCGKSA-N 0 0 332.407 3.681 50 30 EHEARN Cc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)n1 ZINC000032922981 212872712 /nfs/dbraw/zinc/87/27/12/212872712.db2.gz VPSLCHYCGPWSEC-UHFFFAOYSA-N 0 0 330.347 3.701 50 30 EHEARN N#Cc1c(COC(=O)c2ccc3ccccc3n2)cn2ccccc12 ZINC000032682308 212825257 /nfs/dbraw/zinc/82/52/57/212825257.db2.gz KJNNPZXXIQKXAM-UHFFFAOYSA-N 0 0 327.343 3.716 50 30 EHEARN CCOc1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1OCC ZINC000000340371 209541379 /nfs/dbraw/zinc/54/13/79/209541379.db2.gz CYLFPZWWHKIFSW-UHFFFAOYSA-N 0 0 338.407 3.731 50 30 EHEARN COc1ccc(C(=O)O/N=C2\CCSc3ccc(F)cc32)cc1 ZINC000000111320 209427337 /nfs/dbraw/zinc/42/73/37/209427337.db2.gz FIUIKRLWMXRTNA-XDJHFCHBSA-N 0 0 331.368 3.891 50 30 EHEARN N#Cc1ccnc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c1 ZINC000072428399 216219645 /nfs/dbraw/zinc/21/96/45/216219645.db2.gz JSCADZTZAFIYLB-UHFFFAOYSA-N 0 0 326.363 3.504 50 30 EHEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000027562254 212565224 /nfs/dbraw/zinc/56/52/24/212565224.db2.gz VYOMDOKGANOWQU-UHFFFAOYSA-N 0 0 338.388 3.663 50 30 EHEARN C#Cc1cccc(NC(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000023009863 212342059 /nfs/dbraw/zinc/34/20/59/212342059.db2.gz WRKUZAFIOCUMJG-CMDGGOBGSA-N 0 0 341.794 3.990 50 30 EHEARN O=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1 ZINC000023054810 212344928 /nfs/dbraw/zinc/34/49/28/212344928.db2.gz DMVSCJXTYGCSMK-UHFFFAOYSA-N 0 0 339.441 3.949 50 30 EHEARN N#Cc1ccccc1CN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022777182 212323058 /nfs/dbraw/zinc/32/30/58/212323058.db2.gz ZBYGLTGMVKWJFQ-UHFFFAOYSA-N 0 0 331.872 3.591 50 30 EHEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCC3)C2=O)cc1 ZINC000022625785 212313924 /nfs/dbraw/zinc/31/39/24/212313924.db2.gz HCYQBBGAGKITCV-UNOMPAQXSA-N 0 0 335.403 3.913 50 30 EHEARN N#Cc1cc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)ccn1 ZINC000193484384 240181148 /nfs/dbraw/zinc/18/11/48/240181148.db2.gz KMGRGVJJJYBYCW-UHFFFAOYSA-N 0 0 339.301 3.671 50 30 EHEARN CCOC(=O)C1CCN([C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 ZINC000221524080 241471416 /nfs/dbraw/zinc/47/14/16/241471416.db2.gz OQRMBHVUTISJFK-OAHLLOKOSA-N 0 0 341.238 3.833 50 30 EHEARN N#CCSc1ccccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021709049 212241283 /nfs/dbraw/zinc/24/12/83/212241283.db2.gz RCQOPKCCDKCLGO-UHFFFAOYSA-N 0 0 348.330 3.876 50 30 EHEARN COc1ccccc1C1(CNC(=O)c2ccc(C#N)cc2)CCCC1 ZINC000021692326 212240530 /nfs/dbraw/zinc/24/05/30/212240530.db2.gz XQSCLDVFYZANKD-UHFFFAOYSA-N 0 0 334.419 3.809 50 30 EHEARN CC(C)n1c(CCNC(=O)C2(C#N)CCCCC2)nc2ccccc21 ZINC000076017544 216682719 /nfs/dbraw/zinc/68/27/19/216682719.db2.gz CEPXIBOXQZIDOU-UHFFFAOYSA-N 0 0 338.455 3.750 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(Br)s1)CCCC2 ZINC000020480053 212135394 /nfs/dbraw/zinc/13/53/94/212135394.db2.gz NNOXETWBPUKXET-UHFFFAOYSA-N 0 0 334.242 3.905 50 30 aggregator EHEARN Cc1ccc(N2C(=O)CS/C2=N\C(=O)Nc2ccccc2)cc1 ZINC000016805993 211935008 /nfs/dbraw/zinc/93/50/08/211935008.db2.gz BCIKQOGYNBFFQS-ZPHPHTNESA-N 0 0 325.393 3.663 50 30 EHEARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(C#N)cc1 ZINC000012520527 211397212 /nfs/dbraw/zinc/39/72/12/211397212.db2.gz AMDLOHOPLCIJGG-UHFFFAOYSA-N 0 0 340.333 3.575 50 30 EHEARN C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012343939 211352322 /nfs/dbraw/zinc/35/23/22/211352322.db2.gz BRQAIYRTXXZAEZ-UHFFFAOYSA-N 0 0 327.405 3.988 50 30 EHEARN C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000091651267 218039587 /nfs/dbraw/zinc/03/95/87/218039587.db2.gz RVQAEJJNUGYAJM-IBGZPJMESA-N 0 0 326.396 3.585 50 30 EHEARN Cc1cc(-c2cc(C(=O)OCC#N)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000010953874 211195782 /nfs/dbraw/zinc/19/57/82/211195782.db2.gz COYIFVPTSADYGC-UHFFFAOYSA-N 0 0 338.367 3.569 50 30 EHEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cccc2cccnc21 ZINC000010850383 211191835 /nfs/dbraw/zinc/19/18/35/211191835.db2.gz VIDNUSWPXYDOLR-YVLHZVERSA-N 0 0 340.448 3.767 50 30 EHEARN C=CCc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000009514461 211095675 /nfs/dbraw/zinc/09/56/75/211095675.db2.gz WPWJCWQEKZLDAP-UHFFFAOYSA-N 0 0 337.379 3.561 50 30 EHEARN CC[C@@H](C(=O)Nc1nn2c(nc(C)c(Cl)c2=O)[nH]1)c1ccccc1 ZINC000008914652 211017050 /nfs/dbraw/zinc/01/70/50/211017050.db2.gz NAOUJJDSFDKRFC-LLVKDONJSA-N 0 0 345.790 3.574 50 30 EHEARN C=CCN1c2ccc(NC(=O)CC(C)C)cc2OCC(C)(C)C1=O ZINC000008958708 211022193 /nfs/dbraw/zinc/02/21/93/211022193.db2.gz XDSLEVVKFKKSSB-UHFFFAOYSA-N 0 0 330.428 3.609 50 30 EHEARN C=C(C)CN(CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000095397344 218329892 /nfs/dbraw/zinc/32/98/92/218329892.db2.gz WENHNRSCUJUSBQ-HNNXBMFYSA-N 0 0 331.485 3.917 50 30 EHEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccncc1 ZINC000008783658 211006431 /nfs/dbraw/zinc/00/64/31/211006431.db2.gz MIQBAPHESAOFNG-OOJYJCHZSA-N 0 0 331.419 3.614 50 30 EHEARN N#Cc1c[nH]c(C(=O)N[C@H](c2cc3ccccc3o2)c2ccncc2)c1 ZINC000095407093 218343384 /nfs/dbraw/zinc/34/33/84/218343384.db2.gz BXHILIIZROJKCO-IBGZPJMESA-N 0 0 342.358 3.547 50 30 EHEARN N#Cc1ccc(C(=O)OCc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000008184527 210908705 /nfs/dbraw/zinc/90/87/05/210908705.db2.gz WCWUQBFQUBUSRK-UHFFFAOYSA-N 0 0 339.738 3.619 50 30 EHEARN CC(C)[C@H]1Cc2c(C#N)c(N)n(-c3ccccc3)c(=S)c2CO1 ZINC000006670113 210675887 /nfs/dbraw/zinc/67/58/87/210675887.db2.gz JDKLKFWCKWFXSQ-MRXNPFEDSA-N 0 0 325.437 3.758 50 30 EHEARN CN(CC(=O)Nc1ccccc1C#N)Cc1cccc(Cl)c1Cl ZINC000006639605 210667499 /nfs/dbraw/zinc/66/74/99/210667499.db2.gz ZAZALXKARRXPPC-UHFFFAOYSA-N 0 0 348.233 3.936 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1F ZINC000005557414 210489586 /nfs/dbraw/zinc/48/95/86/210489586.db2.gz PJNLKQNEKROSSK-QGZVFWFLSA-N 0 0 335.334 3.663 50 30 EHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccsc2)C1=O ZINC000096919980 218899530 /nfs/dbraw/zinc/89/95/30/218899530.db2.gz PQNQQXQXBCAJLC-GXDHUFHOSA-N 0 0 341.388 3.575 50 30 EHEARN CO/N=C/C(=NNc1ccc(C)cc1)C(=O)c1ccc(Cl)cc1 ZINC000005363097 210449609 /nfs/dbraw/zinc/44/96/09/210449609.db2.gz ROMJTUCDKSVTCV-BRRLLNCPSA-N 0 0 329.787 3.931 50 30 EHEARN CSc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000005109459 210391886 /nfs/dbraw/zinc/39/18/86/210391886.db2.gz QZNSBLVOUJPPBM-XBXARRHUSA-N 0 0 325.389 3.636 50 30 EHEARN Cc1nc(SCC(=O)N[C@H]2CCCC[C@H]2C)c(C#N)c(C)c1C ZINC000005089220 210387231 /nfs/dbraw/zinc/38/72/31/210387231.db2.gz JBOLRKNKMHZAEJ-BZNIZROVSA-N 0 0 331.485 3.666 50 30 EHEARN Cc1nc(Cl)cc(NN=Cc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000004947079 210335842 /nfs/dbraw/zinc/33/58/42/210335842.db2.gz FCPBAZGRSDIGIQ-QBROUFQSSA-N 0 0 336.651 3.580 50 30 EHEARN COc1ccc2ccccc2c1/C=N/n1c(C)nc2ccccc2c1=O ZINC000004887835 210312649 /nfs/dbraw/zinc/31/26/49/210312649.db2.gz VEARELOKAMDPEW-LPYMAVHISA-N 0 0 343.386 3.749 50 30 EHEARN CC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O ZINC000004888457 210312438 /nfs/dbraw/zinc/31/24/38/210312438.db2.gz JGCAYIXBIPNGOY-XVEDWSDESA-N 0 0 337.448 3.931 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1C#N ZINC000004846993 210298476 /nfs/dbraw/zinc/29/84/76/210298476.db2.gz HGDOXFGYRFCNSZ-UHFFFAOYSA-N 0 0 330.771 3.546 50 30 EHEARN Cc1cc(N=NC(C)c2ccc(O)cc2)nc(NCc2ccccc2)n1 ZINC000004812599 210282754 /nfs/dbraw/zinc/28/27/54/210282754.db2.gz PRWCDJGPICWVES-BUVRLJJBSA-N 0 0 347.422 3.939 50 30 EHEARN Cc1cnc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)C2)s1 ZINC000328587848 258045307 /nfs/dbraw/zinc/04/53/07/258045307.db2.gz ATYSRTOYOXCIFJ-LBPRGKRZSA-N 0 0 328.397 3.615 50 30 EHEARN Cc1nc2ccccc2n1C1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000328588269 258045371 /nfs/dbraw/zinc/04/53/71/258045371.db2.gz ADSAILUVSOWKIT-UHFFFAOYSA-N 0 0 331.423 3.761 50 30 EHEARN COc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O ZINC000012879344 258001852 /nfs/dbraw/zinc/00/18/52/258001852.db2.gz GTRNUFLFVJTJBW-YVLHZVERSA-N 0 0 326.348 3.637 50 30 biogenic EHEARN C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccco1 ZINC000002860901 258046935 /nfs/dbraw/zinc/04/69/35/258046935.db2.gz CVQRGPMDTVSPHG-UHFFFAOYSA-N 0 0 337.408 3.893 50 30 EHEARN C=CCN(Cc1ccccc1C)C(=O)c1sccc1NC(C)=O ZINC000065451904 258012208 /nfs/dbraw/zinc/01/22/08/258012208.db2.gz NSDWOZJNVBENRI-UHFFFAOYSA-N 0 0 328.437 3.843 50 30 EHEARN C=C(C)Cc1c(C)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000013468318 258017038 /nfs/dbraw/zinc/01/70/38/258017038.db2.gz GIUTUPMTKMJWOH-UHFFFAOYSA-N 0 0 348.855 3.825 50 30 EHEARN C=CCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C ZINC000012763929 258017399 /nfs/dbraw/zinc/01/73/99/258017399.db2.gz OYZHMCKSSOWRNI-UHFFFAOYSA-N 0 0 343.448 3.881 50 30 EHEARN C=CCOc1cccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 ZINC000007781045 258017877 /nfs/dbraw/zinc/01/78/77/258017877.db2.gz BYQZUKAOZXDJCS-UHFFFAOYSA-N 0 0 349.390 3.540 50 30 EHEARN NC(=S)N/N=C\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000006133298 258051602 /nfs/dbraw/zinc/05/16/02/258051602.db2.gz RRHJDZXUHJSNFL-MTJSOVHGSA-N 0 0 335.432 3.586 50 30 EHEARN FC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000095681720 258067311 /nfs/dbraw/zinc/06/73/11/258067311.db2.gz KCOKATNPCXDTEB-UHFFFAOYSA-N 0 0 333.047 3.913 50 30 EHEARN Clc1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1Cl ZINC000004903224 135667691 /nfs/dbraw/zinc/66/76/91/135667691.db2.gz FQGBDHUHGCHKMN-UDWIEESQSA-N 0 0 335.238 3.545 50 30 EHEARN C#CCn1c(COc2ccc(CC=C)cc2OC)nc2ccccc21 ZINC000004385945 518339308 /nfs/dbraw/zinc/33/93/08/518339308.db2.gz WCXOWWQYKJWUOO-UHFFFAOYSA-N 0 0 332.403 3.986 50 30 EHEARN CC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 ZINC000002165625 518446285 /nfs/dbraw/zinc/44/62/85/518446285.db2.gz DARRDNGQIKRSKX-UHFFFAOYSA-N 0 0 325.751 3.831 50 30 EHEARN C=CCN(Cc1ccccc1OC)C(=O)CCc1nc2ccccc2[nH]1 ZINC000055393579 518786698 /nfs/dbraw/zinc/78/66/98/518786698.db2.gz KLTZNARMMFOSBK-UHFFFAOYSA-N 0 0 349.434 3.719 50 30 EHEARN C=CCNC(=S)N(Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000003099604 518948211 /nfs/dbraw/zinc/94/82/11/518948211.db2.gz HEOFAAMLGBJCHB-UHFFFAOYSA-N 0 0 331.872 3.798 50 30 EHEARN C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccnc1 ZINC000000530993 519241505 /nfs/dbraw/zinc/24/15/05/519241505.db2.gz FDFUWGFHUBXIHU-UHFFFAOYSA-N 0 0 338.436 3.827 50 30 EHEARN CCCOc1ccccc1/C=N/NC(=S)Nc1ccc(F)cc1 ZINC000003131702 520470988 /nfs/dbraw/zinc/47/09/88/520470988.db2.gz UWZJWOTUMSZVLS-XDHOZWIPSA-N 0 0 331.416 3.935 50 30 EHEARN CCN(CCC#N)CC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000072308428 520979913 /nfs/dbraw/zinc/97/99/13/520979913.db2.gz NBFVTEOWBVXEEK-HXUWFJFHSA-N 0 0 329.488 3.859 50 30 EHEARN COc1cc(/C=C\C(=O)Nc2cccc(C)c2C)ccc1OCC#N ZINC000033467021 521980061 /nfs/dbraw/zinc/98/00/61/521980061.db2.gz NALXUSQEKGGMOP-NTMALXAHSA-N 0 0 336.391 3.866 50 30 EHEARN COCc1ccc(C(=O)N(CC#Cc2ccccc2)CC(C)C)o1 ZINC000055165890 522941541 /nfs/dbraw/zinc/94/15/41/522941541.db2.gz MMOWWHPWNSHOKD-UHFFFAOYSA-N 0 0 325.408 3.576 50 30 EHEARN COc1ccc(/C=C\C(=O)c2ccc(OC)cc2OC)c(OC)c1 ZINC000033391512 523435304 /nfs/dbraw/zinc/43/53/04/523435304.db2.gz SSDJNESHQBSBBC-POHAHGRESA-N 0 0 328.364 3.617 50 30 EHEARN N#CC1(NC(=O)CNc2cccc(C#Cc3cccs3)c2)CCCC1 ZINC000029934188 526435022 /nfs/dbraw/zinc/43/50/22/526435022.db2.gz KHUGZIDZIZAGMX-UHFFFAOYSA-N 0 0 349.459 3.512 50 30 EHEARN Cc1cc(C(=O)C(C#N)=NNc2ccc(Cl)cc2)n(C(C)(C)C)n1 ZINC000000122917 563235384 /nfs/dbraw/zinc/23/53/84/563235384.db2.gz SCLIPUYOOKFXLH-KGENOOAVSA-N 0 0 343.818 3.774 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000000443539 563315416 /nfs/dbraw/zinc/31/54/16/563315416.db2.gz YDDLWSJDGWGVCZ-KRWDZBQOSA-N 0 0 325.339 3.623 50 30 EHEARN FC(F)(F)c1ccc(C=NN2C(=S)N=NC2c2cccnc2)cc1 ZINC000001306828 563383148 /nfs/dbraw/zinc/38/31/48/563383148.db2.gz JWHIVIISPZEEKU-DNTJNYDQSA-N 0 0 349.341 3.530 50 30 EHEARN O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1cccnc1 ZINC000001447376 563389612 /nfs/dbraw/zinc/38/96/12/563389612.db2.gz KHYGGTPBPHXJNZ-JYRVWZFOSA-N 0 0 349.337 3.992 50 30 EHEARN C=CC[C@H](C)C(=O)N1CCC(n2c(C)nc3ccc(F)cc32)CC1 ZINC000034915185 563484326 /nfs/dbraw/zinc/48/43/26/563484326.db2.gz TXYIKUDUMOIRLM-ZDUSSCGKSA-N 0 0 329.419 3.860 50 30 EHEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccccn3)n2)c1 ZINC000004567556 563505310 /nfs/dbraw/zinc/50/53/10/563505310.db2.gz QQIIECCQLAXVNP-MFOYZWKCSA-N 0 0 325.353 3.559 50 30 EHEARN COc1ccc(-c2csc(N=NCc3ccc(F)cc3)n2)cc1 ZINC000005360816 563528377 /nfs/dbraw/zinc/52/83/77/563528377.db2.gz GLXHSAFFUVSIRG-VXLYETTFSA-N 0 0 327.384 3.826 50 30 EHEARN CC(=[NH+][N-]c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000013136503 563690550 /nfs/dbraw/zinc/69/05/50/563690550.db2.gz OSAGDUJMZXSTBL-FYJGNVAPSA-N 0 0 331.366 3.638 50 30 EHEARN Cc1ccc(-c2csc(N=NC3NC(=N)c4ccccc43)n2)cc1 ZINC000013554511 563701398 /nfs/dbraw/zinc/70/13/98/563701398.db2.gz JXFVNONJTNKOPJ-UHFFFAOYSA-N 0 0 333.420 3.611 50 30 EHEARN O=C(/N=C1/SCC(=O)N1c1ccccc1Cl)c1ccccc1 ZINC000013572006 563702529 /nfs/dbraw/zinc/70/25/29/563702529.db2.gz OTHWTCCOPJDHAU-FBMGVBCBSA-N 0 0 330.796 3.616 50 30 EHEARN Cc1cc2c(cc1Br)NC(=O)C2=NNc1ccccc1 ZINC000013590182 563702929 /nfs/dbraw/zinc/70/29/29/563702929.db2.gz YHWCFXGPQHAERN-UHFFFAOYSA-N 0 0 330.185 3.526 50 30 EHEARN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000032796144 563737270 /nfs/dbraw/zinc/73/72/70/563737270.db2.gz MTJXNVDNYXLPQS-LLVKDONJSA-N 0 0 329.197 3.812 50 30 EHEARN N#CCc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc1 ZINC000015291632 563781396 /nfs/dbraw/zinc/78/13/96/563781396.db2.gz MBFKLDIFWAYCEP-UHFFFAOYSA-N 0 0 333.313 3.822 50 30 EHEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2cccc(C)c2)S1)c1ccccc1 ZINC000016134321 563804304 /nfs/dbraw/zinc/80/43/04/563804304.db2.gz WQPWAFWEONYKHV-AQRZYSDFSA-N 0 0 337.448 3.549 50 30 EHEARN N#Cc1c(F)cccc1N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000032913762 563807130 /nfs/dbraw/zinc/80/71/30/563807130.db2.gz DAAAWVALGPFTSH-UHFFFAOYSA-N 0 0 347.796 3.812 50 30 EHEARN Cc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000017945767 563846281 /nfs/dbraw/zinc/84/62/81/563846281.db2.gz LUKLIBZSUSGGKU-KUHUBIRLSA-N 0 0 346.390 3.595 50 30 EHEARN COc1ccc(CN=Nc2nc(C)cc(-c3ccccc3)n2)cc1OC ZINC000004591330 563924759 /nfs/dbraw/zinc/92/47/59/563924759.db2.gz UDHPCSKJAVKOOC-FYJGNVAPSA-N 0 0 348.406 3.915 50 30 EHEARN N#CC1(C#N)CC(C#N)(C#N)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000013563847 563930257 /nfs/dbraw/zinc/93/02/57/563930257.db2.gz ZCUVVJYOCRNUHD-KDURUIRLSA-N 0 0 337.386 3.529 50 30 EHEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1cc(F)ccc1-n1cccn1 ZINC000071419405 563934905 /nfs/dbraw/zinc/93/49/05/563934905.db2.gz DKBWFFOCVYWZMN-UHFFFAOYSA-N 0 0 344.353 3.522 50 30 EHEARN CCc1ccccc1NC(=O)[C@@H](C#N)Cc1cc(OC)ccc1OC ZINC000057524879 563935722 /nfs/dbraw/zinc/93/57/22/563935722.db2.gz OMCIIZCHLJAFAL-MRXNPFEDSA-N 0 0 338.407 3.587 50 30 EHEARN C[C@@H](CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000058267078 563941249 /nfs/dbraw/zinc/94/12/49/563941249.db2.gz MSZGCAHNEVJMDJ-BBRMVZONSA-N 0 0 340.402 3.514 50 30 EHEARN CC[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1OC(C)C ZINC000058358041 563943706 /nfs/dbraw/zinc/94/37/06/563943706.db2.gz UTBOTLGXQVYJIH-QGZVFWFLSA-N 0 0 329.444 3.870 50 30 EHEARN N#C[C@@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1ccccn1 ZINC000096441819 563953101 /nfs/dbraw/zinc/95/31/01/563953101.db2.gz IKMLAKIUIJTKFO-GOSISDBHSA-N 0 0 329.359 3.546 50 30 EHEARN Cc1nc(C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)no1 ZINC000096466587 563954256 /nfs/dbraw/zinc/95/42/56/563954256.db2.gz VBGPKDSSLWDRPK-UHFFFAOYSA-N 0 0 336.317 3.653 50 30 EHEARN CCOc1cc(/C=C2/COc3ccc(OC)cc3C2=O)ccc1OC ZINC000096812636 563962648 /nfs/dbraw/zinc/96/26/48/563962648.db2.gz KIBKOJRKJDKVEI-ZROIWOOFSA-N 0 0 340.375 3.761 50 30 EHEARN N#Cc1cc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccncc2)c[nH]1 ZINC000097048353 563971700 /nfs/dbraw/zinc/97/17/00/563971700.db2.gz BAYIHCGSTOQEPJ-LJQANCHMSA-N 0 0 342.358 3.547 50 30 EHEARN C/N=C1/S/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)C(=O)N1C ZINC000033286760 563972933 /nfs/dbraw/zinc/97/29/33/563972933.db2.gz BMBIDNUPHAMPSL-QJKHVWQHSA-N 0 0 345.855 3.971 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccs1 ZINC000128291247 563973796 /nfs/dbraw/zinc/97/37/96/563973796.db2.gz ZGXQGJXBVKZKNH-JTQLQIEISA-N 0 0 348.811 3.680 50 30 EHEARN CCN(Cc1ccc(C#N)cc1F)C(=S)Nc1ccccc1OC ZINC000044100682 563981441 /nfs/dbraw/zinc/98/14/41/563981441.db2.gz WDUIWQRPGVTLEA-UHFFFAOYSA-N 0 0 343.427 3.925 50 30 EHEARN Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1cnn(C(C)C)c1 ZINC000071767667 563983084 /nfs/dbraw/zinc/98/30/84/563983084.db2.gz XJCNFQAZCNGUFS-UHFFFAOYSA-N 0 0 333.395 3.661 50 30 EHEARN N#Cc1ccc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)nc1 ZINC000046485342 563983411 /nfs/dbraw/zinc/98/34/11/563983411.db2.gz IRAAIVYGYJTIAZ-GOSISDBHSA-N 0 0 329.407 3.688 50 30 EHEARN Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 ZINC000014309376 563983939 /nfs/dbraw/zinc/98/39/39/563983939.db2.gz LSXLWDIPZYNLIV-HNNXBMFYSA-N 0 0 331.423 3.830 50 30 EHEARN CCCCC[C@H]1NC(=O)N(c2cc(C(=O)NCC)ccc2C)C1=O ZINC000328595167 563986078 /nfs/dbraw/zinc/98/60/78/563986078.db2.gz MLKCAWMZEMSJAU-CQSZACIVSA-N 0 0 331.416 3.529 50 30 EHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(Cl)c1 ZINC000000132167 563986975 /nfs/dbraw/zinc/98/69/75/563986975.db2.gz DOIKKFGLDHSGIH-UHFFFAOYSA-N 0 0 341.823 3.666 50 30 EHEARN COc1cc(C(=O)C=CNc2ccc(C)cc2O)cc(OC)c1OC ZINC000000208454 563988424 /nfs/dbraw/zinc/98/84/24/563988424.db2.gz BLFFIJXMLBTNLA-BQYQJAHWSA-N 0 0 343.379 3.535 50 30 EHEARN C=CCc1cc(C(=O)N(C)Cc2cc(C(C)C)no2)ccc1OC ZINC000223848992 563989222 /nfs/dbraw/zinc/98/92/22/563989222.db2.gz MMRSEAPXERGBOF-UHFFFAOYSA-N 0 0 328.412 3.807 50 30 EHEARN CCOC(=O)c1ccc(NC(C)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000000434184 563999510 /nfs/dbraw/zinc/99/95/10/563999510.db2.gz RXLOSJMHSGLEDA-UHFFFAOYSA-N 0 0 335.359 3.628 50 30 EHEARN C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000005382162 564003265 /nfs/dbraw/zinc/00/32/65/564003265.db2.gz LRUGVIUHCBJCBZ-LICLKQGHSA-N 0 0 343.235 3.696 50 30 EHEARN CC1=CC(=O)C(=C([O-])C=Cc2cc(-c3cccs3)cs2)C(=O)O1 ZINC000102500634 564020094 /nfs/dbraw/zinc/02/00/94/564020094.db2.gz WGPZIAJQDAAMSK-APHBUQMISA-N 0 0 344.413 3.705 50 30 EHEARN C/C=C/c1cc(C(=O)Nc2sccc2C#N)cc(OC)c1OC ZINC000024466890 564020954 /nfs/dbraw/zinc/02/09/54/564020954.db2.gz IWPXSQSTXBEUSH-SNAWJCMRSA-N 0 0 328.393 3.922 50 30 EHEARN N#C[C@H](C(=O)CCc1ccccc1F)C(=O)Nc1ccccc1Cl ZINC000103504500 564022586 /nfs/dbraw/zinc/02/25/86/564022586.db2.gz ADTZZNANZJRIOO-CYBMUJFWSA-N 0 0 344.773 3.759 50 30 EHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CC)s1 ZINC000103504724 564022597 /nfs/dbraw/zinc/02/25/97/564022597.db2.gz FEHGSCMBJHNWNV-ZDUSSCGKSA-N 0 0 342.420 3.670 50 30 EHEARN NC(=S)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000000564040 564023312 /nfs/dbraw/zinc/02/33/12/564023312.db2.gz XIZMMNBXQSGLPY-AWQFTUOYSA-N 0 0 342.855 3.510 50 30 EHEARN CC1(C)CO[C@@H](c2ccccc2Cl)CN1C[C@@H](C#N)CCC#N ZINC000106852159 564026693 /nfs/dbraw/zinc/02/66/93/564026693.db2.gz OEGHJSPNEWIOBR-RHSMWYFYSA-N 0 0 331.847 3.935 50 30 EHEARN N#Cc1ccsc1NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000048299184 564030808 /nfs/dbraw/zinc/03/08/08/564030808.db2.gz WOAZBNMWFZXMCZ-UHFFFAOYSA-N 0 0 341.367 3.985 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(c2ccccc2)CC1 ZINC000048331462 564031160 /nfs/dbraw/zinc/03/11/60/564031160.db2.gz MFCLYBHNAKLAIX-UHFFFAOYSA-N 0 0 345.402 3.712 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(-c2ccccn2)n1 ZINC000048366284 564031527 /nfs/dbraw/zinc/03/15/27/564031527.db2.gz UJCSUHUYBISHKE-KRWDZBQOSA-N 0 0 348.431 3.958 50 30 EHEARN C#CCOC[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000049031769 564032454 /nfs/dbraw/zinc/03/24/54/564032454.db2.gz RWABRRSIHDNDBE-CYBMUJFWSA-N 0 0 340.345 3.599 50 30 EHEARN COC[C@@H]1CCCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000113570120 564032844 /nfs/dbraw/zinc/03/28/44/564032844.db2.gz ITXDUSGQRNASAI-LSDHHAIUSA-N 0 0 347.484 3.829 50 30 EHEARN Cc1nc(C)c(C#N)c(SCc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000025049596 564052603 /nfs/dbraw/zinc/05/26/03/564052603.db2.gz GSHPVQVUBQGIIU-UHFFFAOYSA-N 0 0 345.296 3.953 50 30 EHEARN C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CF ZINC000257358513 564055969 /nfs/dbraw/zinc/05/59/69/564055969.db2.gz UXQRVGWQURFJGJ-DYYHUOPESA-N 0 0 348.458 3.644 50 30 EHEARN N#Cc1c(N)n2c(cc1-c1ccc([N+](=O)[O-])cc1)nc1ccccc12 ZINC000005827037 564056511 /nfs/dbraw/zinc/05/65/11/564056511.db2.gz FLGYISZURHAZHY-UHFFFAOYSA-N 0 0 329.319 3.517 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000012532827 564058303 /nfs/dbraw/zinc/05/83/03/564058303.db2.gz BZQZKCSOQSFDTE-IBGZPJMESA-N 0 0 330.391 3.625 50 30 EHEARN CN(C)C1=N/C(=N\c2ccc(Br)cc2)c2ccccc21 ZINC000015401605 564062015 /nfs/dbraw/zinc/06/20/15/564062015.db2.gz MEMAZYHJZMLVMU-SDXDJHTJSA-N 0 0 328.213 3.849 50 30 EHEARN N#Cc1csc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1 ZINC000084084620 564066294 /nfs/dbraw/zinc/06/62/94/564066294.db2.gz IACXRUQRAFBYGX-UHFFFAOYSA-N 0 0 344.446 3.875 50 30 EHEARN N#Cc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 ZINC000015644281 564069923 /nfs/dbraw/zinc/06/99/23/564069923.db2.gz FSDZJRGDCRCZHR-UHFFFAOYSA-N 0 0 336.420 3.946 50 30 EHEARN Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000025961836 564070717 /nfs/dbraw/zinc/07/07/17/564070717.db2.gz XALCUPQDTKRIHA-ZDUSSCGKSA-N 0 0 340.452 3.701 50 30 EHEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C#Cc1ccccc1 ZINC000000348355 564074538 /nfs/dbraw/zinc/07/45/38/564074538.db2.gz JSFJJVQXXQSNKI-UHFFFAOYSA-N 0 0 327.405 3.532 50 30 EHEARN C=CCn1c2ccc(NC(=O)c3ccc(OC)cc3)cc2sc1=O ZINC000015865081 564077164 /nfs/dbraw/zinc/07/71/64/564077164.db2.gz RIOZOQCWIWYXIL-UHFFFAOYSA-N 0 0 340.404 3.510 50 30 EHEARN C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(Br)c1 ZINC000012983329 564085769 /nfs/dbraw/zinc/08/57/69/564085769.db2.gz COZTUFUMFBIPHQ-LLVKDONJSA-N 0 0 345.196 3.727 50 30 EHEARN CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C#N)cc1 ZINC000006541816 564091862 /nfs/dbraw/zinc/09/18/62/564091862.db2.gz UDEYJVNDJZBGDH-UHFFFAOYSA-N 0 0 342.782 3.822 50 30 EHEARN CCOc1ccc(/C=C/C(=O)c2c(Br)cnn2CC)cc1 ZINC000006556024 564092000 /nfs/dbraw/zinc/09/20/00/564092000.db2.gz WDCXAZRVJQYLMC-JXMROGBWSA-N 0 0 349.228 3.960 50 30 EHEARN Cc1nc(C)c(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)s1 ZINC000089559273 564092850 /nfs/dbraw/zinc/09/28/50/564092850.db2.gz ZPFWUMKKPMQJFY-UHFFFAOYSA-N 0 0 329.812 3.648 50 30 EHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000005910701 564093357 /nfs/dbraw/zinc/09/33/57/564093357.db2.gz GOHNLBIMMIJTQJ-VCHYOVAHSA-N 0 0 344.827 3.778 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC(CCOc3ccccc3)CC2)cc1 ZINC000065180541 564102315 /nfs/dbraw/zinc/10/23/15/564102315.db2.gz OWCQSMNNNQLDKH-UHFFFAOYSA-N 0 0 334.419 3.880 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1cc2ccccc2[nH]c1=O ZINC000524730213 564103723 /nfs/dbraw/zinc/10/37/23/564103723.db2.gz ZWWOPOPIKJAWQJ-LBPRGKRZSA-N 0 0 337.375 3.614 50 30 biogenic EHEARN CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(OC(F)F)c1 ZINC000065291921 564104682 /nfs/dbraw/zinc/10/46/82/564104682.db2.gz ACPBZPPRDZCJEO-UHFFFAOYSA-N 0 0 345.349 3.501 50 30 EHEARN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1cccc(Cl)c1 ZINC000007267345 564106127 /nfs/dbraw/zinc/10/61/27/564106127.db2.gz MOWTZSXNCYRUDJ-ZDUSSCGKSA-N 0 0 327.815 3.671 50 30 EHEARN C=CCSc1nnc(NC(=O)c2ccc(OCCC)cc2)s1 ZINC000007594330 564118763 /nfs/dbraw/zinc/11/87/63/564118763.db2.gz HQQZYIYOZHHFSL-UHFFFAOYSA-N 0 0 335.454 3.857 50 30 EHEARN COc1ccc(CN=Nc2ncnc3sc(C)c(C)c32)cc1OC ZINC000252629161 564123480 /nfs/dbraw/zinc/12/34/80/564123480.db2.gz TZQNTZXGKAOSOY-UHFFFAOYSA-N 0 0 342.424 3.771 50 30 EHEARN CCCCOc1ccc(CNC(=O)N2CCC(C#N)CC2)cc1Cl ZINC000195576318 564123917 /nfs/dbraw/zinc/12/39/17/564123917.db2.gz XCZZISWNUCMBLQ-UHFFFAOYSA-N 0 0 349.862 3.964 50 30 EHEARN CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccc(C(C)C)cc1 ZINC000002274972 564125610 /nfs/dbraw/zinc/12/56/10/564125610.db2.gz DSERJQAOJGTKCU-YBFXNURJSA-N 0 0 344.484 3.663 50 30 EHEARN Cc1ccc([C@]2(CC(=O)N(C)CCC#N)CCOC(C)(C)C2)cc1 ZINC000002277484 564125621 /nfs/dbraw/zinc/12/56/21/564125621.db2.gz DVZIHULIUIDZAQ-FQEVSTJZSA-N 0 0 328.456 3.584 50 30 EHEARN Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000002284443 564130257 /nfs/dbraw/zinc/13/02/57/564130257.db2.gz PUILUNCJTPYHAO-GSTIJIFKSA-N 0 0 341.411 3.600 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000000298267 564133089 /nfs/dbraw/zinc/13/30/89/564133089.db2.gz AXDKPDFNPUOIOM-JTQLQIEISA-N 0 0 341.392 3.905 50 30 EHEARN COC(=O)[C@H](Sc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000000377638 564133134 /nfs/dbraw/zinc/13/31/34/564133134.db2.gz UGVWCRGXTAGQCI-QGZVFWFLSA-N 0 0 338.432 3.838 50 30 EHEARN N#Cc1oc2ccccc2c1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000013137910 564136067 /nfs/dbraw/zinc/13/60/67/564136067.db2.gz GYFHZIGFMFVLCM-UHFFFAOYSA-N 0 0 348.387 3.912 50 30 EHEARN COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCO3)c2C#N)cc1 ZINC000013328537 564136256 /nfs/dbraw/zinc/13/62/56/564136256.db2.gz UHIATMOLVWCVGM-HNNXBMFYSA-N 0 0 342.420 3.721 50 30 EHEARN C[C@@H](Nc1ccccc1NC(=O)[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000328589848 564136652 /nfs/dbraw/zinc/13/66/52/564136652.db2.gz KKYZKRXOSJGTCV-BEFAXECRSA-N 0 0 339.439 3.778 50 30 EHEARN O=C(CCn1ccc2c1cccc2Cl)Nc1nnc(C2CC2)[nH]1 ZINC000095478356 564141471 /nfs/dbraw/zinc/14/14/71/564141471.db2.gz SWRHKKUERTULDG-UHFFFAOYSA-N 0 0 329.791 3.969 50 30 EHEARN COc1cccc2c1ccn2CCC(=O)Nc1nnc(C(C)C)[nH]1 ZINC000095478183 564141501 /nfs/dbraw/zinc/14/15/01/564141501.db2.gz KPHDAOMYVLEIKP-UHFFFAOYSA-N 0 0 327.388 3.570 50 30 EHEARN N#Cc1cccc(OCCNc2ccccc2[C@H](O)C(F)(F)F)c1 ZINC000095992776 564144165 /nfs/dbraw/zinc/14/41/65/564144165.db2.gz REGFULPNQSIBFN-INIZCTEOSA-N 0 0 336.313 3.645 50 30 EHEARN CCN(CC)/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 ZINC000002486206 564149871 /nfs/dbraw/zinc/14/98/71/564149871.db2.gz DBORXDVUYBNTQU-ZZEZOPTASA-N 0 0 348.443 3.611 50 30 EHEARN N#CCOC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000002662120 564152056 /nfs/dbraw/zinc/15/20/56/564152056.db2.gz TVGBKLLQUWKGMO-UHFFFAOYSA-N 0 0 332.699 3.721 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004082195 564160432 /nfs/dbraw/zinc/16/04/32/564160432.db2.gz JMIZEABJISSYOQ-LEBIAJIWSA-N 0 0 330.468 3.935 50 30 biogenic EHEARN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccn3C)n2)cc1 ZINC000066543908 564163368 /nfs/dbraw/zinc/16/33/68/564163368.db2.gz YQXVERYPIJATNE-AWEZNQCLSA-N 0 0 337.404 3.647 50 30 EHEARN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CC=C(c2ccccc2)CC1 ZINC000008312993 564164204 /nfs/dbraw/zinc/16/42/04/564164204.db2.gz VNXNZGRUWSVJBS-INIZCTEOSA-N 0 0 331.419 3.675 50 30 EHEARN Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)ccc2n1C ZINC000069567411 564170518 /nfs/dbraw/zinc/17/05/18/564170518.db2.gz UCNFJABPNIUWEL-UHFFFAOYSA-N 0 0 348.406 3.793 50 30 EHEARN N#CCCSc1ccccc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000069664760 564171363 /nfs/dbraw/zinc/17/13/63/564171363.db2.gz MZHIGXRMJXYUTM-OAHLLOKOSA-N 0 0 338.432 3.882 50 30 EHEARN CO[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069814633 564172354 /nfs/dbraw/zinc/17/23/54/564172354.db2.gz ZUDXXQXNLZBLNA-UWVGGRQHSA-N 0 0 336.363 3.690 50 30 EHEARN N#Cc1cccc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000070021391 564173355 /nfs/dbraw/zinc/17/33/55/564173355.db2.gz QPNKBIKBRISAHX-UHFFFAOYSA-N 0 0 339.370 3.525 50 30 EHEARN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H](c2ccccc2)O1 ZINC000070036645 564173418 /nfs/dbraw/zinc/17/34/18/564173418.db2.gz BMDXASIDODXENP-IIBYNOLFSA-N 0 0 331.419 3.773 50 30 EHEARN Cn1c(CNc2nc(C(F)(F)F)ccc2C#N)nc2cc(F)ccc21 ZINC000070040582 564173498 /nfs/dbraw/zinc/17/34/98/564173498.db2.gz SMQSSVKWOGDIRK-UHFFFAOYSA-N 0 0 349.291 3.610 50 30 EHEARN N#Cc1ccccc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000019144884 1023281167 /nfs/dbraw/zinc/28/11/67/1023281167.db2.gz CKPWXUJPAGUQLY-UHFFFAOYSA-N 0 0 337.386 3.927 50 30 EHEARN O=C(CON=Cc1ccc(Cl)cc1Cl)NCc1cccs1 ZINC000263626071 1027383631 /nfs/dbraw/zinc/38/36/31/1027383631.db2.gz FKTVXWCFCPZFTB-UHFFFAOYSA-N 0 0 343.235 3.722 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCc2ccccc2C1 ZINC000083817815 1031221006 /nfs/dbraw/zinc/22/10/06/1031221006.db2.gz BOCKLHRHQWMGKB-HMAPJEAMSA-N 0 0 346.474 3.925 50 30 EHEARN CC(=NNC(=S)NC(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000254365208 1039331875 /nfs/dbraw/zinc/33/18/75/1039331875.db2.gz VBGBGMKARRWMQT-UHFFFAOYSA-N 0 0 332.517 3.664 50 30 EHEARN COc1ccccc1/C=C/C=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254395720 1039532370 /nfs/dbraw/zinc/53/23/70/1039532370.db2.gz SSSNDPJLLSIZBQ-ANTRUYSASA-N 0 0 347.418 3.909 50 30 EHEARN O=C(/C=C\c1ccccn1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000047537383 1041710881 /nfs/dbraw/zinc/71/08/81/1041710881.db2.gz OGFABXPOJQUPEL-SEYXRHQNSA-N 0 0 325.371 3.528 50 30 EHEARN C=CCO/N=C(\CCC)[C@H]1C(=O)CC(C)(C)[C@H](c2cc(C)no2)C1=O ZINC000220132530 1137021943 /nfs/dbraw/zinc/02/19/43/1137021943.db2.gz OQEPSMZDIMALMK-QDAPYELHSA-N 0 0 346.427 3.610 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)N=N1 ZINC000952882293 1137483394 /nfs/dbraw/zinc/48/33/94/1137483394.db2.gz UEBVEQSUOOHXBQ-UGSOOPFHSA-N 0 0 327.403 3.921 50 30 EHEARN C#CCCC1(CCC(=O)NC2(Cc3cccc(Cl)c3)CC2)N=N1 ZINC000952883390 1137483427 /nfs/dbraw/zinc/48/34/27/1137483427.db2.gz ZELDAHFVRFSKGM-UHFFFAOYSA-N 0 0 329.831 3.887 50 30 EHEARN CCN(CC1CCCCC1)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000952971924 1137484244 /nfs/dbraw/zinc/48/42/44/1137484244.db2.gz VXHMGWSPGMRTOG-UHFFFAOYSA-N 0 0 327.468 3.851 50 30 EHEARN CC(=NS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(O)c(C)c1 ZINC000004707438 210254463 /nfs/dbraw/zinc/25/44/63/210254463.db2.gz YGLRWWOXFQZLGY-UHFFFAOYSA-N 0 0 338.816 3.573 50 30 EHEARN C=CCNc1ccccc1C(=O)N(CC#Cc1ccccc1)C1CC1 ZINC000055368833 214313275 /nfs/dbraw/zinc/31/32/75/214313275.db2.gz ZMDRZLXYZOTMNR-UHFFFAOYSA-N 0 0 330.431 3.941 50 30 EHEARN CCOc1cc(Cl)cc(/C=N/c2ccc(NC(N)=S)cc2)c1O ZINC000100327786 219096669 /nfs/dbraw/zinc/09/66/69/219096669.db2.gz XXFAOYVJPHLBMR-DJKKODMXSA-N 0 0 349.843 3.850 50 30 EHEARN Clc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1Cl ZINC000100573131 219101920 /nfs/dbraw/zinc/10/19/20/219101920.db2.gz NLVGLOALQAMWFW-UDWIEESQSA-N 0 0 335.238 3.545 50 30 EHEARN CC(C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004488895 210202483 /nfs/dbraw/zinc/20/24/83/210202483.db2.gz WOZKSKXJRZGEIO-AWEZNQCLSA-N 0 0 327.424 3.721 50 30 EHEARN N#Cc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc32)c(F)c1 ZINC000004419086 210190969 /nfs/dbraw/zinc/19/09/69/210190969.db2.gz CGUAQFCZHUAQEP-UHFFFAOYSA-N 0 0 348.333 3.646 50 30 EHEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]C(C)C ZINC000100892064 219109901 /nfs/dbraw/zinc/10/99/01/219109901.db2.gz GGOYOVXKFXSPJE-VCHYOVAHSA-N 0 0 328.441 3.555 50 30 EHEARN C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000101084854 219116012 /nfs/dbraw/zinc/11/60/12/219116012.db2.gz SBPOWAVDBDEKSZ-APWZRJJASA-N 0 0 340.448 3.624 50 30 EHEARN C=CCn1c(=O)oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21 ZINC000064894583 214814003 /nfs/dbraw/zinc/81/40/03/214814003.db2.gz NKEFMHAESLBICR-UHFFFAOYSA-N 0 0 328.755 3.686 50 30 EHEARN COc1cccc(C(=O)C=C(O)C(=O)Nc2ccc(C)cc2C)c1 ZINC000101355574 219124541 /nfs/dbraw/zinc/12/45/41/219124541.db2.gz OQUWCXJAVSVBIN-WQRHYEAKSA-N 0 0 325.364 3.575 50 30 EHEARN CCn1c2ccccc2nc1SCC(=O)Nc1ccccc1C#N ZINC000004289556 210162155 /nfs/dbraw/zinc/16/21/55/210162155.db2.gz NTHMFKANNOYMAR-UHFFFAOYSA-N 0 0 336.420 3.659 50 30 EHEARN Cc1c(/N=C/c2cc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000101671578 219155046 /nfs/dbraw/zinc/15/50/46/219155046.db2.gz CWXBEXSJBIWFIF-FYJGNVAPSA-N 0 0 330.391 3.716 50 30 EHEARN CCOc1ccc(C(C)=NNc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000004113174 210123975 /nfs/dbraw/zinc/12/39/75/210123975.db2.gz DBHKNXKXIQTJFK-RGVLZGJSSA-N 0 0 339.355 3.706 50 30 EHEARN Cc1nccn1-c1c(CCC#N)c(C)c(C#N)c2nc3ccccc3n21 ZINC000004115348 210123969 /nfs/dbraw/zinc/12/39/69/210123969.db2.gz JYVLNKPFZHBYMH-UHFFFAOYSA-N 0 0 340.390 3.618 50 30 EHEARN N#Cc1sc(NC(=O)c2cccc(Br)c2)nc1Cl ZINC000004106262 210120570 /nfs/dbraw/zinc/12/05/70/210120570.db2.gz NNZJVJIOEYZZIQ-UHFFFAOYSA-N 0 0 342.605 3.683 50 30 EHEARN CO/N=C/c1cc([N+](=O)[O-])ccc1Sc1ccccc1C(=O)OC ZINC000004072861 210113088 /nfs/dbraw/zinc/11/30/88/210113088.db2.gz ARYYXFPDPRIJLI-LICLKQGHSA-N 0 0 346.364 3.513 50 30 EHEARN CC1=CC(=O)C(=C2C[C@H](c3ccccc3)Nc3ccccc3N2)C(=O)O1 ZINC000102436886 219202761 /nfs/dbraw/zinc/20/27/61/219202761.db2.gz PZVXLTUQUOQBND-QTIQAUKSSA-N 0 0 346.386 3.939 50 30 EHEARN N#Cc1cccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000003429248 210036920 /nfs/dbraw/zinc/03/69/20/210036920.db2.gz YCKLTKOKRUNBIV-UHFFFAOYSA-N 0 0 342.398 3.843 50 30 EHEARN Cn1ncc2c1CC/C(=C/c1ccc(OCc3ccccn3)cc1)C2=O ZINC000044027553 213607278 /nfs/dbraw/zinc/60/72/78/213607278.db2.gz YTIYOPCWSLZRGZ-VBKFSLOCSA-N 0 0 345.402 3.607 50 30 EHEARN CCCCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000003180203 209974050 /nfs/dbraw/zinc/97/40/50/209974050.db2.gz QNWSBTZXLAFANE-UHFFFAOYSA-N 0 0 347.871 3.776 50 30 aggregator EHEARN COc1ccc(Oc2c(C)oc3cc(OCC#N)ccc3c2=O)cc1 ZINC000002414168 209848357 /nfs/dbraw/zinc/84/83/57/209848357.db2.gz RZLAYCLNVZBAFR-UHFFFAOYSA-N 0 0 337.331 3.805 50 30 biogenic EHEARN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000040107320 213266153 /nfs/dbraw/zinc/26/61/53/213266153.db2.gz HYTMBMKVNRHTFC-BFYDXBDKSA-N 0 0 344.455 3.667 50 30 EHEARN C=CCn1c(C(=O)NCCC)cc2sc(Br)cc21 ZINC000037542550 213155816 /nfs/dbraw/zinc/15/58/16/213155816.db2.gz LSNSQESNFGHTFS-UHFFFAOYSA-N 0 0 327.247 3.791 50 30 EHEARN CC1N=NC(=S)N1N=Cc1ccc(COc2cccc(Cl)c2)o1 ZINC000036611104 213100861 /nfs/dbraw/zinc/10/08/61/213100861.db2.gz WYBVQHFSKXDCOF-CAOOACKPSA-N 0 0 348.815 3.583 50 30 EHEARN O=C(NCCc1ccccc1)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000000444950 209604422 /nfs/dbraw/zinc/60/44/22/209604422.db2.gz KCFUVQNIEHKGIF-UHFFFAOYSA-N 0 0 347.458 3.706 50 30 EHEARN CN(C)/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000000432258 209597046 /nfs/dbraw/zinc/59/70/46/209597046.db2.gz VHZROXKHESLTQS-OVCLIPMQSA-N 0 0 338.161 3.513 50 30 EHEARN Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccc(C#N)cc1 ZINC000071746454 215802872 /nfs/dbraw/zinc/80/28/72/215802872.db2.gz GGZUVARBYSCMER-UHFFFAOYSA-N 0 0 326.359 3.755 50 30 EHEARN Cc1ccccc1/N=C1\NC(=O)/C(=C\c2ccc(N(C)C)cc2)S1 ZINC000029135331 212653388 /nfs/dbraw/zinc/65/33/88/212653388.db2.gz GONCPBAKNYRGMM-SFQUDFHCSA-N 0 0 337.448 3.953 50 30 EHEARN N#Cc1ccc(-c2cccnc2)nc1SCC(=O)c1ccccc1 ZINC000000047870 209389026 /nfs/dbraw/zinc/38/90/26/209389026.db2.gz SUBGGUVOVGEKJY-UHFFFAOYSA-N 0 0 331.400 3.990 50 30 EHEARN COc1ccccc1C(C)(C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000072607564 216281037 /nfs/dbraw/zinc/28/10/37/216281037.db2.gz YSMNKUVGFYIYQQ-UHFFFAOYSA-N 0 0 348.406 3.642 50 30 EHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000024507184 212424371 /nfs/dbraw/zinc/42/43/71/212424371.db2.gz KYJWXKHNAXCBHR-UHFFFAOYSA-N 0 0 339.263 3.765 50 30 EHEARN O=C(NCC#Cc1ccccc1)c1occc1COc1ccccc1 ZINC000022416922 212296402 /nfs/dbraw/zinc/29/64/02/212296402.db2.gz RWDSTBSOTNRLFN-UHFFFAOYSA-N 0 0 331.371 3.640 50 30 EHEARN Cc1noc2nc(C)cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c12 ZINC000075607138 216645567 /nfs/dbraw/zinc/64/55/67/216645567.db2.gz GKYIHCICCBLCEW-UHFFFAOYSA-N 0 0 337.383 3.520 50 30 EHEARN CS(=O)(=O)c1ccc(CSc2ccc(C#N)cc2Cl)cc1 ZINC000225442974 241865231 /nfs/dbraw/zinc/86/52/31/241865231.db2.gz CHLWSDRWVGSFIX-UHFFFAOYSA-N 0 0 337.853 3.907 50 30 EHEARN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(CC#N)c2)C12CCCCC2 ZINC000076022522 216686873 /nfs/dbraw/zinc/68/68/73/216686873.db2.gz SSWFEWMWSHXABM-RBUKOAKNSA-N 0 0 340.467 3.953 50 30 EHEARN Cc1cnc(CNc2c(C#N)cnc3c(Br)cccc32)o1 ZINC000252479334 243763157 /nfs/dbraw/zinc/76/31/57/243763157.db2.gz BDDYTMILXKTDJL-UHFFFAOYSA-N 0 0 343.184 3.778 50 30 EHEARN CC(C)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 ZINC000020468329 212134210 /nfs/dbraw/zinc/13/42/10/212134210.db2.gz UHIVUDNMAWNPPL-UHFFFAOYSA-N 0 0 339.464 3.773 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 ZINC000019535480 212039025 /nfs/dbraw/zinc/03/90/25/212039025.db2.gz URKQMXJOSCKYMA-GOSISDBHSA-N 0 0 343.398 3.745 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000019087682 212000179 /nfs/dbraw/zinc/00/01/79/212000179.db2.gz UCAJMCHZROZQHK-QGZVFWFLSA-N 0 0 337.350 3.590 50 30 EHEARN Nc1ccc(S(=O)(=O)c2ccc(/N=C/c3ccccc3)cc2)cc1 ZINC000018056029 211978736 /nfs/dbraw/zinc/97/87/36/211978736.db2.gz DIKDAECHMPHKIA-KGENOOAVSA-N 0 0 336.416 3.852 50 30 EHEARN Cc1c(-c2ccccc2)sc2ncn(C[C@H](C#N)CCC#N)c(=O)c12 ZINC000014020945 211671881 /nfs/dbraw/zinc/67/18/81/211671881.db2.gz ONLHHEYGWDLLSA-AWEZNQCLSA-N 0 0 348.431 3.877 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCC1 ZINC000012526632 211398875 /nfs/dbraw/zinc/39/88/75/211398875.db2.gz MAMFQQBAGRVSRQ-HNNXBMFYSA-N 0 0 335.407 3.564 50 30 EHEARN CCN1C=C(C(=O)C=Cc2ccccc2)[C@@H](c2ccccc2)NC1=O ZINC000012388921 211365528 /nfs/dbraw/zinc/36/55/28/211365528.db2.gz URIUIAJSCBJEKB-FBRRREGBSA-N 0 0 332.403 3.939 50 30 EHEARN C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O ZINC000012342700 211352313 /nfs/dbraw/zinc/35/23/13/211352313.db2.gz AXVQZEPYRCLQJV-RVDMUPIBSA-N 0 0 342.807 3.800 50 30 EHEARN COc1ccc(Cc2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1 ZINC000012062574 211284392 /nfs/dbraw/zinc/28/43/92/211284392.db2.gz DCEUIBLTKFVAHV-UHFFFAOYSA-N 0 0 337.354 3.897 50 30 EHEARN N#Cc1ccccc1OCC(=O)NC1c2ccccc2-c2ccccc21 ZINC000011432642 211216358 /nfs/dbraw/zinc/21/63/58/211216358.db2.gz ODNNMKZYVFTKLN-UHFFFAOYSA-N 0 0 340.382 3.823 50 30 EHEARN Cc1ccc(OCc2nc(C#N)c(NCc3ccncc3)o2)c(C)c1 ZINC000009341957 211071236 /nfs/dbraw/zinc/07/12/36/211071236.db2.gz LXYJDTBBDITFCA-UHFFFAOYSA-N 0 0 334.379 3.749 50 30 EHEARN C=CCN1c2ccc(NC(=O)C(C)(C)C)cc2OCC(C)(C)C1=O ZINC000008958740 211022643 /nfs/dbraw/zinc/02/26/43/211022643.db2.gz LKSGPUWTGCHVAK-UHFFFAOYSA-N 0 0 330.428 3.609 50 30 EHEARN N#Cc1ccccc1[S@@](=O)c1ccccc1C(=O)Nc1ccccc1 ZINC000008781692 211006501 /nfs/dbraw/zinc/00/65/01/211006501.db2.gz FOMBJAKYTFWOIR-VWLOTQADSA-N 0 0 346.411 3.977 50 30 EHEARN CC[C@@H](Sc1nc(C)c(C)c(C)c1C#N)C(=O)Nc1cc(C)on1 ZINC000008729355 210993216 /nfs/dbraw/zinc/99/32/16/210993216.db2.gz CZLHOVHXEFGYAY-CQSZACIVSA-N 0 0 344.440 3.684 50 30 EHEARN CCCCS(=O)(=O)Nc1ccc(NCc2cc(C#N)cs2)cc1 ZINC000095429278 218371982 /nfs/dbraw/zinc/37/19/82/218371982.db2.gz PDWKEWPVAAZCSS-UHFFFAOYSA-N 0 0 349.481 3.774 50 30 EHEARN COc1cc(N=C2NC(=O)SC2=Cc2cccnc2)cc(OC)c1 ZINC000095474029 218408709 /nfs/dbraw/zinc/40/87/09/218408709.db2.gz FORXPUJXYMJCAD-GIDUJCDVSA-N 0 0 341.392 3.831 50 30 EHEARN CC(C)c1ccc(-n2nnnc2SCc2cccc(C#N)c2)cc1 ZINC000007691164 210831906 /nfs/dbraw/zinc/83/19/06/210831906.db2.gz GFAJJAQPAMOTMZ-UHFFFAOYSA-N 0 0 335.436 3.950 50 30 EHEARN Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3C#N)c2C)no1 ZINC000006552867 210652464 /nfs/dbraw/zinc/65/24/64/210652464.db2.gz ZMBSOPOEOZVZSZ-UHFFFAOYSA-N 0 0 335.363 3.524 50 30 EHEARN CCOc1cccc(C2N=NC(=S)N2N=Cc2sccc2C)c1 ZINC000005906921 210558118 /nfs/dbraw/zinc/55/81/18/210558118.db2.gz GDINBMKZUATUPN-LICLKQGHSA-N 0 0 344.465 3.885 50 30 EHEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000005629729 210506059 /nfs/dbraw/zinc/50/60/59/210506059.db2.gz QBAACZFLPHUDDD-JTQLQIEISA-N 0 0 348.761 3.765 50 30 EHEARN N#Cc1ccsc1NC(=O)CSc1ccc2ccccc2n1 ZINC000005626910 210503726 /nfs/dbraw/zinc/50/37/26/210503726.db2.gz LNVRJLYGNPPWJI-UHFFFAOYSA-N 0 0 325.418 3.899 50 30 EHEARN CN(Cc1nc2ccccc2s1)C(=O)/C=C\c1ccccc1C#N ZINC000096930879 218901373 /nfs/dbraw/zinc/90/13/73/218901373.db2.gz ZTERVPHQWYBNRU-KHPPLWFESA-N 0 0 333.416 3.840 50 30 EHEARN Cc1nc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C#N)c(C)c1C ZINC000005172634 210405845 /nfs/dbraw/zinc/40/58/45/210405845.db2.gz JTJDMLIDTCJONQ-NVGCLXPQSA-N 0 0 345.512 3.912 50 30 EHEARN N#Cc1cc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccncc2)c[nH]1 ZINC000097048354 218931976 /nfs/dbraw/zinc/93/19/76/218931976.db2.gz BAYIHCGSTOQEPJ-IBGZPJMESA-N 0 0 342.358 3.547 50 30 EHEARN Brc1ccccc1/C=N/N1CCN(c2ccccc2)CC1 ZINC000000136466 258047791 /nfs/dbraw/zinc/04/77/91/258047791.db2.gz GNCRFLMXMMPGNY-XMHGGMMESA-N 0 0 344.256 3.605 50 30 EHEARN C=CCn1c(SCc2ccccc2F)nnc1-c1cccnc1 ZINC000006698643 258044102 /nfs/dbraw/zinc/04/41/02/258044102.db2.gz RTRNBHGMFNDCTJ-UHFFFAOYSA-N 0 0 326.400 3.958 50 30 EHEARN Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000330033048 258001972 /nfs/dbraw/zinc/00/19/72/258001972.db2.gz VVAHCMHQAMJRCW-INIZCTEOSA-N 0 0 348.786 3.903 50 30 EHEARN COc1cccc(COCCNC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000330032206 258002235 /nfs/dbraw/zinc/00/22/35/258002235.db2.gz JKSOTHGFCLIIED-CQSZACIVSA-N 0 0 327.371 3.994 50 30 EHEARN O=C(NCC(F)(F)F)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000330033219 258002426 /nfs/dbraw/zinc/00/24/26/258002426.db2.gz XOKGNSDMOKGWRT-UHFFFAOYSA-N 0 0 337.301 3.827 50 30 EHEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004185043 258046861 /nfs/dbraw/zinc/04/68/61/258046861.db2.gz IISJQMBUYPCJEB-INIZCTEOSA-N 0 0 344.480 3.506 50 30 EHEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1C[C@@H]1CCCO1 ZINC000000073600 258047275 /nfs/dbraw/zinc/04/72/75/258047275.db2.gz XWQNJQVJMVEGNN-INIZCTEOSA-N 0 0 335.403 3.664 50 30 EHEARN C=C(C)CN(CC)C(=O)CSc1ncnc2c3ccccc3oc21 ZINC000008778168 258017811 /nfs/dbraw/zinc/01/78/11/258017811.db2.gz LKYRZWNFFQJDBG-UHFFFAOYSA-N 0 0 341.436 3.893 50 30 EHEARN C/N=C1/S/C(=C\c2ccc(N3Cc4ccccc4C3)cc2)C(=O)N1C ZINC000000995409 258048962 /nfs/dbraw/zinc/04/89/62/258048962.db2.gz UFAXASRHTSGESE-HVEIJDALSA-N 0 0 349.459 3.739 50 30 EHEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 ZINC000032831743 258058428 /nfs/dbraw/zinc/05/84/28/258058428.db2.gz HREYXDLTRDLUMH-IZZDOVSWSA-N 0 0 333.391 3.984 50 30 EHEARN COc1ccc(F)cc1CSCC(=O)Nc1sccc1C#N ZINC000071862865 262534062 /nfs/dbraw/zinc/53/40/62/262534062.db2.gz GOMTVEOEGSBCTO-UHFFFAOYSA-N 0 0 336.413 3.639 50 30 EHEARN COc1ccc(N(C)Cc2ncc(-c3ccc(C#N)cc3)o2)c(OC)c1 ZINC000131607065 533981398 /nfs/dbraw/zinc/98/13/98/533981398.db2.gz GPSIUTNUTCXKDP-UHFFFAOYSA-N 0 0 349.390 3.867 50 30 EHEARN C#CCN(Cc1nnc(-c2ccccc2)o1)[C@H]1CCc2ccccc21 ZINC000047405999 518261751 /nfs/dbraw/zinc/26/17/51/518261751.db2.gz JVSDOIXNQBEEAB-IBGZPJMESA-N 0 0 329.403 3.859 50 30 EHEARN C=CCCC(=O)N[C@H](C)c1cnc(N(C)C2CCCCC2)nc1C ZINC000015079541 518696241 /nfs/dbraw/zinc/69/62/41/518696241.db2.gz FKAHEQMAMJORIB-CQSZACIVSA-N 0 0 330.476 3.697 50 30 EHEARN C=CCN(CC#Cc1ccccc1)Cc1cccn1-c1nccs1 ZINC000055245208 518744340 /nfs/dbraw/zinc/74/43/40/518744340.db2.gz LFNDWRMJJLSLMY-UHFFFAOYSA-N 0 0 333.460 3.974 50 30 EHEARN C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000047562283 518786417 /nfs/dbraw/zinc/78/64/17/518786417.db2.gz VUSIZWUEOWYFDL-UHFFFAOYSA-N 0 0 337.423 3.656 50 30 EHEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(C)=O ZINC000036107082 518795209 /nfs/dbraw/zinc/79/52/09/518795209.db2.gz HYKUPGLZUOTMRY-UHFFFAOYSA-N 0 0 330.453 3.873 50 30 EHEARN C=CCNC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881109 518934869 /nfs/dbraw/zinc/93/48/69/518934869.db2.gz CWXZYGVBGAMCMH-UHFFFAOYSA-N 0 0 337.419 3.895 50 30 EHEARN C=CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266520 519032986 /nfs/dbraw/zinc/03/29/86/519032986.db2.gz JWBZKHOQCHDDCL-MRXNPFEDSA-N 0 0 349.434 3.582 50 30 EHEARN C=CC[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000188255470 519108753 /nfs/dbraw/zinc/10/87/53/519108753.db2.gz BEAAWGPEEHMTKP-FQEVSTJZSA-N 0 0 335.447 3.857 50 30 EHEARN C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000281229202 519110722 /nfs/dbraw/zinc/11/07/22/519110722.db2.gz CAQJILSCRHPGCA-INIZCTEOSA-N 0 0 329.444 3.707 50 30 EHEARN CC#CC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000241409050 519329735 /nfs/dbraw/zinc/32/97/35/519329735.db2.gz NEEOMCMEUQMYJN-UHFFFAOYSA-N 0 0 335.432 3.583 50 30 EHEARN CCCC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000004800583 519886966 /nfs/dbraw/zinc/88/69/66/519886966.db2.gz VTEOESQGMPJHGP-HNENSFHCSA-N 0 0 330.453 3.868 50 30 EHEARN CCOc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000007587013 520846787 /nfs/dbraw/zinc/84/67/87/520846787.db2.gz ZJMPIHGOYQRWLB-LFYBBSHMSA-N 0 0 337.419 3.818 50 30 EHEARN CCn1nccc1C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006490112 523709505 /nfs/dbraw/zinc/70/95/05/523709505.db2.gz NLBAYEJPGRLCNT-VQHVLOKHSA-N 0 0 337.335 3.967 50 30 EHEARN N#Cc1ccc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cn1 ZINC000154428283 534791535 /nfs/dbraw/zinc/79/15/35/534791535.db2.gz CVGXZLTVRVUPSR-JTQLQIEISA-N 0 0 338.358 3.813 50 30 EHEARN Cc1cc(NC(=O)c2cc(C3CC3)nc3ccccc32)n(CCC#N)n1 ZINC000071185683 525239420 /nfs/dbraw/zinc/23/94/20/525239420.db2.gz VRQRUJJFORZUPU-UHFFFAOYSA-N 0 0 345.406 3.783 50 30 EHEARN COc1ccc2c(c1)OCC/C2=N/OC(=O)c1ccccc1SC ZINC000003892034 525555911 /nfs/dbraw/zinc/55/59/11/525555911.db2.gz SORKCPAOOWKZRJ-CYVLTUHYSA-N 0 0 343.404 3.761 50 30 EHEARN O=C1C[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000613287 563356028 /nfs/dbraw/zinc/35/60/28/563356028.db2.gz CZGUILBJJRAIJG-WCQYABFASA-N 0 0 341.407 3.892 50 30 EHEARN C[C@H](NC(=O)c1cccc(CC#N)c1)c1nc(C(C)(C)C)cs1 ZINC000071882890 563377423 /nfs/dbraw/zinc/37/74/23/563377423.db2.gz FBXFHRKVSNAWOJ-LBPRGKRZSA-N 0 0 327.453 3.998 50 30 EHEARN Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccco1 ZINC000001466013 563390615 /nfs/dbraw/zinc/39/06/15/563390615.db2.gz MJYNEZLRVTUFPM-VXLYETTFSA-N 0 0 335.388 3.909 50 30 EHEARN C=CCOc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1 ZINC000002597707 563443786 /nfs/dbraw/zinc/44/37/86/563443786.db2.gz BRTOVNSUHVZTBC-XDHOZWIPSA-N 0 0 329.400 3.711 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccccc2Br)SC1=S ZINC000003040814 563470347 /nfs/dbraw/zinc/47/03/47/563470347.db2.gz KAYNKBFVYGUWEU-FLIBITNWSA-N 0 0 340.267 3.836 50 30 EHEARN CC(C)CN1CC(=O)C(c2nc(-c3cccc(Cl)c3)cs2)=C1N ZINC000034769885 563474867 /nfs/dbraw/zinc/47/48/67/563474867.db2.gz XEBBHLRDKVUSGG-UHFFFAOYSA-N 0 0 347.871 3.632 50 30 EHEARN O=C1C=C(N2CCN(c3ccccc3)CC2)C[C@@H](c2ccccc2)C1 ZINC000003209730 563476815 /nfs/dbraw/zinc/47/68/15/563476815.db2.gz GUUIHBCBDNBBEU-LJQANCHMSA-N 0 0 332.447 3.839 50 30 EHEARN COc1ccc(-c2csc(N=NCc3ccco3)n2)cc1OC ZINC000005165412 563521716 /nfs/dbraw/zinc/52/17/16/563521716.db2.gz XWKWPYUFFVUBGB-RQZCQDPDSA-N 0 0 329.381 3.866 50 30 EHEARN CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002740218 563607841 /nfs/dbraw/zinc/60/78/41/563607841.db2.gz SVGKNFNSCWLTCM-UHFFFAOYSA-N 0 0 332.219 3.524 50 30 EHEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1OC ZINC000012804462 563674086 /nfs/dbraw/zinc/67/40/86/563674086.db2.gz VPBQUNFYIHZOLA-KRWDZBQOSA-N 0 0 340.379 3.565 50 30 EHEARN COc1ccc(OCc2nc(C#N)c(NCc3ccccc3)o2)cc1 ZINC000032675050 563677083 /nfs/dbraw/zinc/67/70/83/563677083.db2.gz XJNMQRQLSWIGNB-UHFFFAOYSA-N 0 0 335.363 3.746 50 30 EHEARN COC(=NC(=O)c1cccc(OC)c1)N[C@@H]1CCCc2ccccc21 ZINC000004519720 563751254 /nfs/dbraw/zinc/75/12/54/563751254.db2.gz JNQOMEUMEDSWMX-GOSISDBHSA-N 0 0 338.407 3.505 50 30 EHEARN CN1c2ccccc2/C(=N\OC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000015745596 563791491 /nfs/dbraw/zinc/79/14/91/563791491.db2.gz UDCCKADYBJAPGF-XMHGGMMESA-N 0 0 349.173 3.531 50 30 EHEARN Cc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000017945764 563846197 /nfs/dbraw/zinc/84/61/97/563846197.db2.gz LUKLIBZSUSGGKU-AUUYWEPGSA-N 0 0 346.390 3.595 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)c1csc(-c2ccccc2)n1 ZINC000060194185 563854785 /nfs/dbraw/zinc/85/47/85/563854785.db2.gz NQENRFRGUNQHDY-UHFFFAOYSA-N 0 0 348.431 3.761 50 30 EHEARN N#Cc1c[nH]c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 ZINC000175548349 563864377 /nfs/dbraw/zinc/86/43/77/563864377.db2.gz NQNXDUZOYKSPTK-UHFFFAOYSA-N 0 0 342.358 3.589 50 30 EHEARN C=CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000003138972 563946865 /nfs/dbraw/zinc/94/68/65/563946865.db2.gz VIZUOSWDXQZOBB-UHFFFAOYSA-N 0 0 340.404 3.772 50 30 EHEARN Cc1nc(NC(=O)C2(c3ccccc3)CC2)sc1SCC#N ZINC000059287274 563947836 /nfs/dbraw/zinc/94/78/36/563947836.db2.gz PDFUKJOBBLGEEV-UHFFFAOYSA-N 0 0 329.450 3.738 50 30 EHEARN C#Cc1cccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)c1 ZINC000096430510 563952561 /nfs/dbraw/zinc/95/25/61/563952561.db2.gz GNOCLTNQHWLXHV-UHFFFAOYSA-N 0 0 340.379 3.538 50 30 EHEARN N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1C(F)(F)F ZINC000096443153 563953194 /nfs/dbraw/zinc/95/31/94/563953194.db2.gz UIQKHHLIWOIWIZ-KGLIPLIRSA-N 0 0 331.297 3.714 50 30 EHEARN CCN(C[C@@H](C)C#N)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000072309860 563966348 /nfs/dbraw/zinc/96/63/48/563966348.db2.gz HUPJRPVGJOBPFK-LBPRGKRZSA-N 0 0 336.386 3.578 50 30 EHEARN CSCCCNC(=O)c1cccc(-c2cc(C)c(C#N)c(C)n2)c1 ZINC000584898866 563967491 /nfs/dbraw/zinc/96/74/91/563967491.db2.gz HLMMOFYYUUIHLO-UHFFFAOYSA-N 0 0 339.464 3.720 50 30 EHEARN CC[C@H](CC#N)NC(=O)Nc1c(C)cc(Br)cc1OC ZINC000097163271 563968452 /nfs/dbraw/zinc/96/84/52/563968452.db2.gz PECALRWHVRFCGK-LLVKDONJSA-N 0 0 340.221 3.580 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)SC1=S ZINC000033286137 563972957 /nfs/dbraw/zinc/97/29/57/563972957.db2.gz KLQXGWOYBMRXIF-GDNBJRDFSA-N 0 0 349.477 3.871 50 30 EHEARN CC(C)(C)C1C/C(=C\c2csnn2)C(=O)/C(=C\c2csnn2)C1 ZINC000044013183 563980168 /nfs/dbraw/zinc/98/01/68/563980168.db2.gz JYPHZVYWYLDZDP-NAKBGQTNSA-N 0 0 346.481 3.882 50 30 EHEARN COc1ccc(OC)c(-c2c3c(nc(N)c2C#N)[C@@H](C)SC3)c1 ZINC000071749908 563982985 /nfs/dbraw/zinc/98/29/85/563982985.db2.gz NAMXVDYXJTWTEU-SECBINFHSA-N 0 0 327.409 3.527 50 30 EHEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C)CC1 ZINC000014242318 563983683 /nfs/dbraw/zinc/98/36/83/563983683.db2.gz HGKRGOYZFLOQSV-CQSZACIVSA-N 0 0 345.512 3.948 50 30 EHEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]CC(C)C ZINC000100163116 563984293 /nfs/dbraw/zinc/98/42/93/563984293.db2.gz DKHODNUAGBRPMW-ODLFYWEKSA-N 0 0 342.468 3.803 50 30 EHEARN COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000000109141 563986508 /nfs/dbraw/zinc/98/65/08/563986508.db2.gz YMMJJEPPIBRKRX-IEBWSBKVSA-N 0 0 339.366 3.667 50 30 EHEARN C=CCN1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000247981097 563994946 /nfs/dbraw/zinc/99/49/46/563994946.db2.gz HFSDCGQZBRMPPA-UWHLTILDSA-N 0 0 343.426 3.911 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000000428048 563998827 /nfs/dbraw/zinc/99/88/27/563998827.db2.gz CJDRESMJUOCQEV-APWZRJJASA-N 0 0 340.375 3.608 50 30 EHEARN C=C(C)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000002388899 564002152 /nfs/dbraw/zinc/00/21/52/564002152.db2.gz HZANSUMDXYCMCH-NSHDSACASA-N 0 0 327.450 3.960 50 30 EHEARN COc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2)nc(-c2ccccc2)n1 ZINC000005319316 564002580 /nfs/dbraw/zinc/00/25/80/564002580.db2.gz OVJDMJYLRLBDJF-KGENOOAVSA-N 0 0 347.422 3.664 50 30 EHEARN COc1cc(C=NNc2ccc3ccccc3n2)cc(OC)c1OC ZINC000005329683 564002685 /nfs/dbraw/zinc/00/26/85/564002685.db2.gz FLBOQJHWTLDXHO-UDWIEESQSA-N 0 0 337.379 3.707 50 30 EHEARN Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]C1CCCCCC1 ZINC000005386434 564003323 /nfs/dbraw/zinc/00/33/23/564003323.db2.gz CNABHDIBIGNFMT-XDHOZWIPSA-N 0 0 342.399 3.524 50 30 EHEARN CC(C)c1ccc(-n2nnnc2SCc2ccc(C#N)cc2)cc1 ZINC000005492391 564004764 /nfs/dbraw/zinc/00/47/64/564004764.db2.gz FMLPFNZESPASDP-UHFFFAOYSA-N 0 0 335.436 3.950 50 30 EHEARN C=CCN1C(=O)N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000000479385 564013396 /nfs/dbraw/zinc/01/33/96/564013396.db2.gz TXOOMKBVHXZXQV-UVTDQMKNSA-N 0 0 328.755 3.679 50 30 EHEARN N#CC1(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)CCOCC1 ZINC000188977442 564014436 /nfs/dbraw/zinc/01/44/36/564014436.db2.gz ZJMPNLBGKHOPRC-FQEVSTJZSA-N 0 0 346.430 3.777 50 30 EHEARN CCOC(=O)c1sc(NC(=O)c2ccccc2C)c(C#N)c1C ZINC000000483539 564016861 /nfs/dbraw/zinc/01/68/61/564016861.db2.gz CFOYFDNCDVLDHF-UHFFFAOYSA-N 0 0 328.393 3.666 50 30 EHEARN C#CCn1c2ccccc2s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000100875186 564017002 /nfs/dbraw/zinc/01/70/02/564017002.db2.gz MYQBGVVRZLDSMH-ICFOKQHNSA-N 0 0 332.837 3.792 50 30 EHEARN C#CCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1cccs1 ZINC000100909941 564017049 /nfs/dbraw/zinc/01/70/49/564017049.db2.gz GEHZJJMZMMUNCD-ZCXUNETKSA-N 0 0 326.446 3.755 50 30 EHEARN CC(C)CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000018083986 564017892 /nfs/dbraw/zinc/01/78/92/564017892.db2.gz HJIFASLKHVIBHI-UHFFFAOYSA-N 0 0 347.871 3.632 50 30 EHEARN O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196752 564018700 /nfs/dbraw/zinc/01/87/00/564018700.db2.gz AYYXQVCGKIRMNE-IBGZPJMESA-N 0 0 335.359 3.685 50 30 EHEARN CSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(C)ccc2C)o1 ZINC000101093343 564018835 /nfs/dbraw/zinc/01/88/35/564018835.db2.gz LSQAXXZHKNTTAV-LBPRGKRZSA-N 0 0 328.393 3.580 50 30 EHEARN Cc1cc(C)n(-c2ccc(C(=O)OCc3ccccc3C#N)cc2)n1 ZINC000018353402 564025181 /nfs/dbraw/zinc/02/51/81/564025181.db2.gz IZMGYTWHKSADQD-UHFFFAOYSA-N 0 0 331.375 3.718 50 30 EHEARN COCc1ccccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000044550547 564027023 /nfs/dbraw/zinc/02/70/23/564027023.db2.gz HRFKDQXQASWWLC-UHFFFAOYSA-N 0 0 335.363 3.649 50 30 EHEARN C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(F)cc3F)ccc21 ZINC000046010635 564029161 /nfs/dbraw/zinc/02/91/61/564029161.db2.gz CFJDCXSLLLEURB-UHFFFAOYSA-N 0 0 345.305 3.703 50 30 EHEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)cc1 ZINC000046125188 564029602 /nfs/dbraw/zinc/02/96/02/564029602.db2.gz IMJGFJDYTJMKLZ-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN CN(CC(=O)Nc1nccs1)Cc1ccc(Br)s1 ZINC000048234268 564030096 /nfs/dbraw/zinc/03/00/96/564030096.db2.gz ODYVOIMQFFFUCO-UHFFFAOYSA-N 0 0 346.275 3.687 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)CCc1ccc(OC)c(F)c1 ZINC000048311314 564030811 /nfs/dbraw/zinc/03/08/11/564030811.db2.gz UAAFZOQJKRZIHC-UHFFFAOYSA-N 0 0 342.370 3.676 50 30 EHEARN N#Cc1cccc(NC(=O)c2cccnc2SCC(F)(F)F)c1 ZINC000025053432 564052605 /nfs/dbraw/zinc/05/26/05/564052605.db2.gz SUZCDZMYTNCBKO-UHFFFAOYSA-N 0 0 337.326 3.860 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257357786 564055968 /nfs/dbraw/zinc/05/59/68/564055968.db2.gz PWCLWZOSAFOXFL-XNTISYABSA-N 0 0 330.468 3.694 50 30 EHEARN Cc1cc(C)n(Cc2cccc(C(N)=NOCc3ccccc3C)c2)n1 ZINC000063510080 564057699 /nfs/dbraw/zinc/05/76/99/564057699.db2.gz UVNXCUCZBJXAPS-UHFFFAOYSA-N 0 0 348.450 3.694 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000019138522 564059065 /nfs/dbraw/zinc/05/90/65/564059065.db2.gz IQRLGYPXDPOELM-GOSISDBHSA-N 0 0 333.387 3.759 50 30 EHEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cccc(-n2cnnc2)c1 ZINC000065409431 564066787 /nfs/dbraw/zinc/06/67/87/564066787.db2.gz LXMSGTFRMIMBEG-PMACEKPBSA-N 0 0 348.450 3.949 50 30 EHEARN Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000025961833 564070688 /nfs/dbraw/zinc/07/06/88/564070688.db2.gz XALCUPQDTKRIHA-CYBMUJFWSA-N 0 0 340.452 3.701 50 30 EHEARN CCC(=O)Nc1cccc(Oc2nc(C)c([N+](=O)[O-])c(C)c2C#N)c1 ZINC000001446055 564070813 /nfs/dbraw/zinc/07/08/13/564070813.db2.gz PZSNYLIQBJUJRK-UHFFFAOYSA-N 0 0 340.339 3.619 50 30 EHEARN C=CCOc1ccc(/C=C/C(=O)Oc2ccc(C(=O)OC)cc2)cc1 ZINC000013135193 564073747 /nfs/dbraw/zinc/07/37/47/564073747.db2.gz ZJQXQMFGJZLLGI-AWNIVKPZSA-N 0 0 338.359 3.657 50 30 EHEARN C=CCNC(=S)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1 ZINC000002150461 564074836 /nfs/dbraw/zinc/07/48/36/564074836.db2.gz HESGRRFFTWHNMB-KRWDZBQOSA-N 0 0 344.505 3.765 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC000086299529 564075511 /nfs/dbraw/zinc/07/55/11/564075511.db2.gz XRTYBAFMEVXLIG-LLVKDONJSA-N 0 0 346.337 3.918 50 30 EHEARN N#Cc1cc2c(nc1SCC(=O)c1ccc(F)cc1)CCCC2=O ZINC000015834566 564076153 /nfs/dbraw/zinc/07/61/53/564076153.db2.gz LZTGIIYCYSMCES-UHFFFAOYSA-N 0 0 340.379 3.586 50 30 EHEARN COc1ccc(SCCC(=O)OCc2ccc(C#N)cc2)cc1 ZINC000012940588 564079597 /nfs/dbraw/zinc/07/95/97/564079597.db2.gz BSFCNKNCUGRWGV-UHFFFAOYSA-N 0 0 327.405 3.792 50 30 EHEARN C[C@@H](CC#N)N(C)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000075110257 564080294 /nfs/dbraw/zinc/08/02/94/564080294.db2.gz LQPMPWPYPIVYGQ-INIZCTEOSA-N 0 0 345.462 3.721 50 30 EHEARN N#Cc1cccc(C(=O)N(CCc2cccs2)Cc2cccnc2)c1 ZINC000075154738 564080842 /nfs/dbraw/zinc/08/08/42/564080842.db2.gz AAMJHONLGRGVBI-UHFFFAOYSA-N 0 0 347.443 3.900 50 30 EHEARN CCn1cc(/C=C2\Oc3cc(O)ccc3C2=O)c2cc(OC)ccc21 ZINC000026439502 564082212 /nfs/dbraw/zinc/08/22/12/564082212.db2.gz PQUZJYJVDVRAQO-UWVJOHFNSA-N 0 0 335.359 3.992 50 30 EHEARN N#Cc1c(NC(=O)CSc2ccc(O)cc2)sc2c1CCCC2 ZINC000064037253 564083696 /nfs/dbraw/zinc/08/36/96/564083696.db2.gz GHOQKBTVLGEGPA-UHFFFAOYSA-N 0 0 344.461 3.935 50 30 EHEARN N#CCN(C(=O)c1cccc(Br)c1F)c1ccccc1 ZINC000192239707 564090052 /nfs/dbraw/zinc/09/00/52/564090052.db2.gz TXYKBNCAOWDPMM-UHFFFAOYSA-N 0 0 333.160 3.759 50 30 EHEARN COc1cccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c1 ZINC000005911335 564093328 /nfs/dbraw/zinc/09/33/28/564093328.db2.gz GFOKROJJHVDVPY-VCHYOVAHSA-N 0 0 344.827 3.778 50 30 EHEARN N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000006627617 564094644 /nfs/dbraw/zinc/09/46/44/564094644.db2.gz WNMPKLCZQUKGLR-UHFFFAOYSA-N 0 0 327.192 3.666 50 30 EHEARN CC(C)CCn1c(COc2ccccc2)nn(CCC#N)c1=S ZINC000006652638 564095413 /nfs/dbraw/zinc/09/54/13/564095413.db2.gz GAJQUWSPYAHEIF-UHFFFAOYSA-N 0 0 330.457 3.953 50 30 EHEARN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000007308754 564106671 /nfs/dbraw/zinc/10/66/71/564106671.db2.gz CLXMZUFWMHGYJM-AWEZNQCLSA-N 0 0 336.416 3.751 50 30 EHEARN Cc1cc(C#N)cc(NCc2cccc(NC(=O)c3ccncc3)c2)n1 ZINC000239722591 564107745 /nfs/dbraw/zinc/10/77/45/564107745.db2.gz CDQSBINTZTVWDG-UHFFFAOYSA-N 0 0 343.390 3.521 50 30 EHEARN N#CC1(NC(=O)CN2CC[C@H]2c2ccc(Cl)cc2)CCCCCC1 ZINC000076093292 564115656 /nfs/dbraw/zinc/11/56/56/564115656.db2.gz LOUFLSCAIXOPKG-KRWDZBQOSA-N 0 0 345.874 3.820 50 30 EHEARN N#Cc1cc(C(=O)N(CC2CC2)c2cc(Cl)ccc2C#N)ccn1 ZINC000252489366 564119462 /nfs/dbraw/zinc/11/94/62/564119462.db2.gz JOZQBJBRDXMAPT-UHFFFAOYSA-N 0 0 336.782 3.535 50 30 EHEARN CCOC(=O)/C(=N/Nc1ccccc1C)N1CCCc2ccccc21 ZINC000002201887 564120950 /nfs/dbraw/zinc/12/09/50/564120950.db2.gz ZOQAQBVGABXGFI-QOCHGBHMSA-N 0 0 337.423 3.736 50 30 EHEARN CC(=CCc1ccco1)N=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000252640206 564124616 /nfs/dbraw/zinc/12/46/16/564124616.db2.gz YRHWZIFSEFGQCB-LTPBKJDESA-N 0 0 332.367 3.611 50 30 EHEARN CCc1nc2ccccc2c(C(=O)NCc2ccc(C#N)cc2)c1C ZINC000253405133 564130613 /nfs/dbraw/zinc/13/06/13/564130613.db2.gz ZRKDIJOHAMLKBV-UHFFFAOYSA-N 0 0 329.403 3.907 50 30 EHEARN COc1ccc(Br)cc1-c1noc(C2(C#N)CCCC2)n1 ZINC000253419750 564130976 /nfs/dbraw/zinc/13/09/76/564130976.db2.gz SDJAINZTZFEZHA-UHFFFAOYSA-N 0 0 348.200 3.843 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012804656 564135609 /nfs/dbraw/zinc/13/56/09/564135609.db2.gz LMYDOHBFYACBNT-GOSISDBHSA-N 0 0 348.402 3.697 50 30 EHEARN CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2noc(C)n2)cc1 ZINC000328588040 564136591 /nfs/dbraw/zinc/13/65/91/564136591.db2.gz MLXGWVJDWGKIQF-IAQYHMDHSA-N 0 0 346.456 3.912 50 30 EHEARN N#CCC(=O)N[C@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000390834180 564138900 /nfs/dbraw/zinc/13/89/00/564138900.db2.gz UBLPZWDQDKFZCK-MRXNPFEDSA-N 0 0 336.288 3.964 50 30 EHEARN N#C[C@@H](COC(=O)c1ccc(-c2cnco2)cc1)Cc1cccs1 ZINC000095452835 564140573 /nfs/dbraw/zinc/14/05/73/564140573.db2.gz NPQJQFVTAOVRCV-ZDUSSCGKSA-N 0 0 338.388 3.942 50 30 EHEARN Cc1sc2ncn(N=Cc3c(C)cc(C)cc3C)c(=O)c2c1C ZINC000254480111 564141229 /nfs/dbraw/zinc/14/12/29/564141229.db2.gz RWXODTXHXYYWJI-UHFFFAOYSA-N 0 0 325.437 3.882 50 30 EHEARN N#CC1CCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CC1 ZINC000095996376 564144245 /nfs/dbraw/zinc/14/42/45/564144245.db2.gz FGOVTAVSVGFMLP-UHFFFAOYSA-N 0 0 345.406 3.793 50 30 EHEARN N#Cc1cccc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c1 ZINC000096119861 564145536 /nfs/dbraw/zinc/14/55/36/564145536.db2.gz ZQKCLRSSUUQRTC-UHFFFAOYSA-N 0 0 346.411 3.781 50 30 EHEARN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000096134051 564145775 /nfs/dbraw/zinc/14/57/75/564145775.db2.gz HPRCGXNTVHCOET-AWEZNQCLSA-N 0 0 337.379 3.603 50 30 EHEARN COc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1NC(C)=O ZINC000096297183 564146582 /nfs/dbraw/zinc/14/65/82/564146582.db2.gz FYKCWFOXLNYQPV-DAXSKMNVSA-N 0 0 331.318 3.828 50 30 EHEARN C=CCN(CC(F)(F)F)C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000096403545 564147223 /nfs/dbraw/zinc/14/72/23/564147223.db2.gz SZOSZRMKEYFLLC-UHFFFAOYSA-N 0 0 341.377 3.508 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000096502449 564148794 /nfs/dbraw/zinc/14/87/94/564148794.db2.gz KRWCOWFIJGGHPD-CQSZACIVSA-N 0 0 333.395 3.791 50 30 EHEARN CC(=NNC(=S)Nc1ccccc1C(F)(F)F)c1ccncc1 ZINC000254705443 564152897 /nfs/dbraw/zinc/15/28/97/564152897.db2.gz GIBDBFPEGOWWOR-UHFFFAOYSA-N 0 0 338.358 3.811 50 30 EHEARN COc1ccc(-c2nnc(COc3ccc(C#N)cc3Cl)o2)cc1 ZINC000029591454 564153704 /nfs/dbraw/zinc/15/37/04/564153704.db2.gz CLCYWVKGRCNWDS-UHFFFAOYSA-N 0 0 341.754 3.849 50 30 EHEARN COc1cc(C(=O)/C=C/C=C/c2ccccc2)ccc1S(C)(=O)=O ZINC000057789681 564155849 /nfs/dbraw/zinc/15/58/49/564155849.db2.gz WMHNBXAEEFVQST-JMQWPVDRSA-N 0 0 342.416 3.551 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1 ZINC000003299519 564157155 /nfs/dbraw/zinc/15/71/55/564157155.db2.gz UZSNJOQFRCTPQM-LLVKDONJSA-N 0 0 330.181 3.971 50 30 EHEARN C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C)CC2)cc1OC ZINC000058168430 564157936 /nfs/dbraw/zinc/15/79/36/564157936.db2.gz XBTBUPDGOBTREY-DZZUKKPASA-N 0 0 329.440 3.922 50 30 EHEARN N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000031662852 564159632 /nfs/dbraw/zinc/15/96/32/564159632.db2.gz KGLDDFUZPZDEJA-ZIAGYGMSSA-N 0 0 341.333 3.570 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000008038570 564162337 /nfs/dbraw/zinc/16/23/37/564162337.db2.gz PSNFRSOHIPWIHQ-INIZCTEOSA-N 0 0 332.403 3.641 50 30 EHEARN C=CCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000008282347 564164010 /nfs/dbraw/zinc/16/40/10/564164010.db2.gz WHSPAQIFXOSJSQ-UHFFFAOYSA-N 0 0 333.416 3.746 50 30 EHEARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000069457424 564169689 /nfs/dbraw/zinc/16/96/89/564169689.db2.gz HLMZSAUSKBODDY-LJQANCHMSA-N 0 0 344.418 3.905 50 30 EHEARN N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000069698391 564171521 /nfs/dbraw/zinc/17/15/21/564171521.db2.gz MDGFLRMOAWJQQV-UHFFFAOYSA-N 0 0 346.390 3.505 50 30 EHEARN COCCN(CCC#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000078464351 564176933 /nfs/dbraw/zinc/17/69/33/564176933.db2.gz QHOXQDWWANGZOB-UHFFFAOYSA-N 0 0 335.407 3.652 50 30 EHEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(C#N)c1C ZINC000017071417 568423345 /nfs/dbraw/zinc/42/33/45/568423345.db2.gz KODBSIXQXDUDKU-UHFFFAOYSA-N 0 0 341.436 3.663 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)/C=C\c1nc2ccccc2s1 ZINC000097674579 1015188296 /nfs/dbraw/zinc/18/82/96/1015188296.db2.gz IJQMXRWIQMALAM-HJWRWDBZSA-N 0 0 336.372 3.795 50 30 EHEARN Cn1cc([C@@H]2C[C@H](NC(=O)C=Cc3ccc(Cl)cc3)CCO2)cn1 ZINC000328593651 1017958857 /nfs/dbraw/zinc/95/88/57/1017958857.db2.gz SMYAZBUKKGBOOV-YQIFSTGGSA-N 0 0 345.830 3.964 50 30 EHEARN N#CCc1c(Br)cc(OC(F)F)cc1Br ZINC000263624971 1019945722 /nfs/dbraw/zinc/94/57/22/1019945722.db2.gz VRBHVWOJEYUSIW-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN C=CCNC(=O)c1ccc(-c2ccc3[nH]c4c(c3c2)CCCC4=O)nc1 ZINC000032597881 1036529048 /nfs/dbraw/zinc/52/90/48/1036529048.db2.gz HJHQCGWNMVIWON-UHFFFAOYSA-N 0 0 345.402 3.665 50 30 EHEARN O=C(CON=Cc1c(Cl)cccc1Cl)NCc1cccs1 ZINC000254394584 1039520357 /nfs/dbraw/zinc/52/03/57/1039520357.db2.gz DIIFVQWKEVNTOR-UHFFFAOYSA-N 0 0 343.235 3.722 50 30 EHEARN Cc1ncc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)c(C)n1 ZINC000297960621 1040848367 /nfs/dbraw/zinc/84/83/67/1040848367.db2.gz VQTXYHRWKINCRS-ZJUUUORDSA-N 0 0 340.452 3.965 50 30 EHEARN N#C[C@]1(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)CC12CCCC2 ZINC000333095637 1041724845 /nfs/dbraw/zinc/72/48/45/1041724845.db2.gz PCNZJQUKGLHSRM-LPHOPBHVSA-N 0 0 344.842 3.794 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)N=N1 ZINC000888096257 1043238497 /nfs/dbraw/zinc/23/84/97/1043238497.db2.gz PNJVJRIDCXLHCL-HNNXBMFYSA-N 0 0 343.402 3.900 50 30 EHEARN O=C1c2ccccc2SC/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000012528500 1130167371 /nfs/dbraw/zinc/16/73/71/1130167371.db2.gz ZBDOLTMSZBZOFH-DTQAZKPQSA-N 0 0 337.444 3.895 50 30 EHEARN C#CCCC1(CCC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)N=N1 ZINC000952880982 1137483512 /nfs/dbraw/zinc/48/35/12/1137483512.db2.gz NCCJOKLOUTXGMF-CYBMUJFWSA-N 0 0 341.377 3.923 50 30 EHEARN COc1cccc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)c1 ZINC000105785992 1139410559 /nfs/dbraw/zinc/41/05/59/1139410559.db2.gz JGMSMSQOYMXREU-HNENSFHCSA-N 0 0 325.437 3.634 50 30 EHEARN O=C(/C=C/c1cc(Br)ccc1O)c1ccc2c(c1)OCO2 ZINC000051330036 214088537 /nfs/dbraw/zinc/08/85/37/214088537.db2.gz KZIAAKXBMPELQD-DAFODLJHSA-N 0 0 347.164 3.780 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000004728316 210261162 /nfs/dbraw/zinc/26/11/62/210261162.db2.gz BAAYCIREEVSRJD-KRWDZBQOSA-N 0 0 345.826 3.871 50 30 EHEARN N#Cc1cccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c1 ZINC000054531207 214243239 /nfs/dbraw/zinc/24/32/39/214243239.db2.gz QUKOPGQSCDIUFN-UHFFFAOYSA-N 0 0 341.414 3.876 50 30 EHEARN C=CCOc1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1 ZINC000004697938 210251401 /nfs/dbraw/zinc/25/14/01/210251401.db2.gz ZGQOXWOCDRGTHE-INIZCTEOSA-N 0 0 348.354 3.799 50 30 EHEARN CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N/c1ccccc1 ZINC000004664358 210241277 /nfs/dbraw/zinc/24/12/77/210241277.db2.gz UUXUGWBQIZIXHR-NDCXWZKTSA-N 0 0 338.388 3.649 50 30 EHEARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(C#N)cc1 ZINC000097992383 219066570 /nfs/dbraw/zinc/06/65/70/219066570.db2.gz SSKBWOCBWRIELR-OQLLNIDSSA-N 0 0 333.416 3.891 50 30 EHEARN N#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1C#N ZINC000004628954 210235769 /nfs/dbraw/zinc/23/57/69/210235769.db2.gz JLQQEDCJJQCCKU-UHFFFAOYSA-N 0 0 348.240 3.980 50 30 EHEARN N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccncc1 ZINC000004620354 210233714 /nfs/dbraw/zinc/23/37/14/210233714.db2.gz MIQBAPHESAOFNG-UHEPKEFZSA-N 0 0 331.419 3.614 50 30 EHEARN Brc1ccc(/C=N/C[C@@H]2COc3ccccc3O2)cc1 ZINC000100056108 219089793 /nfs/dbraw/zinc/08/97/93/219089793.db2.gz MHKBOAAJBJSYDL-UHPUNMKFSA-N 0 0 332.197 3.708 50 30 EHEARN Cc1ccc(N2C(=O)CS/C2=N/C(=O)Nc2ccccc2)c(C)c1 ZINC000100112544 219091532 /nfs/dbraw/zinc/09/15/32/219091532.db2.gz DPWVXDRTRIATMZ-CZIZESTLSA-N 0 0 339.420 3.971 50 30 EHEARN CN(C)c1ccc([C@H]2CC(=O)C=C(NCc3cccs3)C2)cc1 ZINC000100379261 219097565 /nfs/dbraw/zinc/09/75/65/219097565.db2.gz IPACRZVKPHKGTH-OAHLLOKOSA-N 0 0 326.465 3.934 50 30 EHEARN Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccc(Cl)cc1Cl ZINC000004477457 210198496 /nfs/dbraw/zinc/19/84/96/210198496.db2.gz OGKBQPIPZYIETA-IEACTJMHSA-N 0 0 347.209 3.741 50 30 EHEARN Brc1c[nH]nc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004335922 210174652 /nfs/dbraw/zinc/17/46/52/210174652.db2.gz CSKRQFLONCFSGR-FRKPEAEDSA-N 0 0 348.229 3.742 50 30 EHEARN Oc1ccccc1C(=NCc1ccccc1)c1n[nH]nc1C(F)(F)F ZINC000101383573 219124919 /nfs/dbraw/zinc/12/49/19/219124919.db2.gz LYGSXWCXXFLADJ-KGENOOAVSA-N 0 0 346.312 3.567 50 30 EHEARN N#Cc1cccc(-c2cn3c(n2)N(C(=O)c2cccs2)CCC3)c1 ZINC000065259562 214855618 /nfs/dbraw/zinc/85/56/18/214855618.db2.gz BVKQWARFFPDPSD-UHFFFAOYSA-N 0 0 334.404 3.534 50 30 EHEARN N#Cc1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 ZINC000004224035 210146777 /nfs/dbraw/zinc/14/67/77/210146777.db2.gz OQBKPDFVFJGIFT-UHFFFAOYSA-N 0 0 333.372 3.826 50 30 EHEARN O=[N+]([O-])c1ccc(/N=C/c2cccc(O)c2O)c(Br)c1 ZINC000004119123 210124828 /nfs/dbraw/zinc/12/48/28/210124828.db2.gz JHWINOUVXPYITF-VIZOYTHASA-N 0 0 337.129 3.519 50 30 EHEARN O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cc2ccccc2o1 ZINC000004090358 210118224 /nfs/dbraw/zinc/11/82/24/210118224.db2.gz BYIYRKYFVUWEHX-GDNBJRDFSA-N 0 0 333.343 3.531 50 30 biogenic EHEARN CCN(CC)/C(=N/S(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000003893631 210084596 /nfs/dbraw/zinc/08/45/96/210084596.db2.gz PPXQBJUGQNBPLA-FMQUCBEESA-N 0 0 344.480 3.781 50 30 EHEARN N#Cc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000003343770 210013019 /nfs/dbraw/zinc/01/30/19/210013019.db2.gz URRNOBQIKVXNQJ-UHFFFAOYSA-N 0 0 348.427 3.950 50 30 EHEARN C=CCc1cc(-c2cc(-c3ccco3)nc(N)c2C#N)cc(OC)c1O ZINC000067542189 215159923 /nfs/dbraw/zinc/15/99/23/215159923.db2.gz QBEWXKPBVWEGTK-UHFFFAOYSA-N 0 0 347.374 3.905 50 30 EHEARN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(F)cc2Cl)c1 ZINC000103504046 219308381 /nfs/dbraw/zinc/30/83/81/219308381.db2.gz OMXSWNJENWVGOQ-AWEZNQCLSA-N 0 0 330.746 3.749 50 30 EHEARN Cc1cc(C)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000103504413 219309754 /nfs/dbraw/zinc/30/97/54/219309754.db2.gz HQARHOWRHXDKNT-CQSZACIVSA-N 0 0 326.783 3.918 50 30 EHEARN Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)oc2c1c(C)ccc2C ZINC000103717418 219321466 /nfs/dbraw/zinc/32/14/66/219321466.db2.gz ZGDYQFNMMKWNKT-AWEZNQCLSA-N 0 0 347.374 3.714 50 30 EHEARN C=CC[C@]1(C#N)C(=S)NC(C)=C(C(=O)OCC)[C@@H]1c1cccs1 ZINC000000614422 209680149 /nfs/dbraw/zinc/68/01/49/209680149.db2.gz OBNQAGAKVGGLCA-WMLDXEAASA-N 0 0 346.477 3.685 50 30 EHEARN CCN(CC)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000492452 209634100 /nfs/dbraw/zinc/63/41/00/209634100.db2.gz UVUALJZNPFVGML-INIZCTEOSA-N 0 0 340.467 3.780 50 30 EHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccnc1Cl ZINC000032904667 212866265 /nfs/dbraw/zinc/86/62/65/212866265.db2.gz KBWFOUZMNASCKU-UHFFFAOYSA-N 0 0 338.716 3.535 50 30 EHEARN COc1ccc(/C=C\C(=O)c2c(OC)cc(OC)cc2OC)cc1 ZINC000032274203 212795884 /nfs/dbraw/zinc/79/58/84/212795884.db2.gz JQNMAEHFTQBROH-YFHOEESVSA-N 0 0 328.364 3.617 50 30 EHEARN CC(C)N1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O ZINC000032115610 212791125 /nfs/dbraw/zinc/79/11/25/212791125.db2.gz GNZNBPMZOBLFPJ-OQLLNIDSSA-N 0 0 325.393 3.610 50 30 EHEARN C=CCOc1cccc([C@H]2CC(=O)Nc3c2cnn3C(C)(C)C)c1 ZINC000072115438 216011722 /nfs/dbraw/zinc/01/17/22/216011722.db2.gz VTZHNVOCTQYRGA-OAHLLOKOSA-N 0 0 325.412 3.677 50 30 EHEARN N#CC(=C([O-])c1cn2ccccc2[nH+]1)c1nc(-c2ccccc2)cs1 ZINC000072271112 216094437 /nfs/dbraw/zinc/09/44/37/216094437.db2.gz KMRDZXBSYRFVRB-AWEZNQCLSA-N 0 0 344.399 3.948 50 30 EHEARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(C#N)c2)cc1 ZINC000000358812 209550128 /nfs/dbraw/zinc/55/01/28/209550128.db2.gz RRTQQTZTFLKVCS-UHFFFAOYSA-N 0 0 337.448 3.983 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1Cl ZINC000000273461 209513552 /nfs/dbraw/zinc/51/35/52/209513552.db2.gz QDHRXUSXRHIHQT-INIZCTEOSA-N 0 0 343.766 3.535 50 30 EHEARN Cc1nc([C@H]2CCCN(C(=O)C3(C#N)CCCCC3)C2)sc1C ZINC000072297435 216135429 /nfs/dbraw/zinc/13/54/29/216135429.db2.gz PSYPHVNNQFQMGL-HNNXBMFYSA-N 0 0 331.485 3.940 50 30 EHEARN CC(C)(O)C#Cc1ccc(/C=N/OC(=O)c2ccccc2Cl)cc1 ZINC000000169880 209462139 /nfs/dbraw/zinc/46/21/39/209462139.db2.gz FLZHNKRFFFTARR-FYJGNVAPSA-N 0 0 341.794 3.653 50 30 EHEARN C=CCNC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 ZINC000028231375 212607558 /nfs/dbraw/zinc/60/75/58/212607558.db2.gz IFMDYWZDQDYEHG-UHFFFAOYSA-N 0 0 333.391 3.502 50 30 EHEARN O=S(=O)(CCc1ccccc1)/N=C/c1c(O)ccc2ccccc21 ZINC000000046736 209389700 /nfs/dbraw/zinc/38/97/00/209389700.db2.gz VOIJOUODQSQIGM-XSFVSMFZSA-N 0 0 339.416 3.537 50 30 EHEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc(O)cc2)CC(=O)O3)C1=O ZINC000217875109 241281666 /nfs/dbraw/zinc/28/16/66/241281666.db2.gz KYHSNHAOJPVMHN-CQSZACIVSA-N 0 0 336.343 3.702 50 30 biogenic EHEARN Cc1sc(-c2cc[nH]n2)cc1NC(=O)c1ccc(C#N)cc1F ZINC000075519335 216628818 /nfs/dbraw/zinc/62/88/18/216628818.db2.gz IBJZDDYUZPMIIW-UHFFFAOYSA-N 0 0 326.356 3.710 50 30 EHEARN CC(C)c1nc(NC[C@@H]2CCCO2)c(C#N)c2c1COC(C)(C)C2 ZINC000020828843 212175149 /nfs/dbraw/zinc/17/51/49/212175149.db2.gz FNICAFNVQCPFDE-ZDUSSCGKSA-N 0 0 329.444 3.519 50 30 EHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2 ZINC000020504072 212141485 /nfs/dbraw/zinc/14/14/85/212141485.db2.gz IDOCEMKODKCACE-YBEGLDIGSA-N 0 0 329.421 3.912 50 30 EHEARN Cn1cc(C#N)cc1C(=O)N(c1cccc2cccnc21)C1CCC1 ZINC000081157524 217365828 /nfs/dbraw/zinc/36/58/28/217365828.db2.gz WXUDOUHOGUVJHS-UHFFFAOYSA-N 0 0 330.391 3.644 50 30 EHEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1coc3ccccc3c1=O)C2 ZINC000085877656 217687442 /nfs/dbraw/zinc/68/74/42/217687442.db2.gz UIEDPUZATAVODR-JYRVWZFOSA-N 0 0 348.354 3.633 50 30 biogenic EHEARN COc1ccc(SCCC(=O)OCc2ccccc2C#N)cc1 ZINC000012945460 211491106 /nfs/dbraw/zinc/49/11/06/211491106.db2.gz GYKMALNQDQJUGI-UHFFFAOYSA-N 0 0 327.405 3.792 50 30 EHEARN CCc1nc(SCC(=O)c2ccccn2)c(C#N)c2c1CCCC2 ZINC000012249822 211330226 /nfs/dbraw/zinc/33/02/26/211330226.db2.gz KCUZGFJFXLINLZ-UHFFFAOYSA-N 0 0 337.448 3.764 50 30 EHEARN N#Cc1ccc(Cl)cc1N1CCC(c2nncn2C2CC2)CC1 ZINC000091483690 218012333 /nfs/dbraw/zinc/01/23/33/218012333.db2.gz XYWLXRXWYIDNDZ-UHFFFAOYSA-N 0 0 327.819 3.522 50 30 EHEARN N#Cc1ccc(F)c(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000010610974 211182948 /nfs/dbraw/zinc/18/29/48/211182948.db2.gz RITJODXENIBMSD-UHFFFAOYSA-N 0 0 348.164 3.762 50 30 EHEARN Cc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)c(C)c1 ZINC000009453452 211086380 /nfs/dbraw/zinc/08/63/80/211086380.db2.gz KGTSXIIVAJDROI-GOSISDBHSA-N 0 0 336.460 3.979 50 30 EHEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccccn2)cc1 ZINC000008970551 211023699 /nfs/dbraw/zinc/02/36/99/211023699.db2.gz FAFAWVSGQCLZCP-UDWIEESQSA-N 0 0 337.452 3.809 50 30 EHEARN CC(=O)N1CCC(CCNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000095944342 218457016 /nfs/dbraw/zinc/45/70/16/218457016.db2.gz WKKSEZNRNHYGIZ-UHFFFAOYSA-N 0 0 339.361 3.638 50 30 EHEARN C=CCN(C[C@@H]1CC(c2ccccc2)=NO1)C(=O)c1ccccc1F ZINC000006835301 210725608 /nfs/dbraw/zinc/72/56/08/210725608.db2.gz OIVSZOWGILCFDE-INIZCTEOSA-N 0 0 338.382 3.647 50 30 EHEARN CC(=O)N(C)c1nc(/C=C2\Cc3c(cccc3Cl)C2=O)cs1 ZINC000096313714 218744007 /nfs/dbraw/zinc/74/40/07/218744007.db2.gz QHMVHJGGJIRBCB-UXBLZVDNSA-N 0 0 332.812 3.602 50 30 EHEARN CNc1ccc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000005899766 210555785 /nfs/dbraw/zinc/55/57/85/210555785.db2.gz YFMIVDTXHWOTGU-VMPITWQZSA-N 0 0 341.323 3.749 50 30 EHEARN CO/N=C(/CNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000005719836 210523118 /nfs/dbraw/zinc/52/31/18/210523118.db2.gz AITUALPDYRTPLB-HKWRFOASSA-N 0 0 337.206 3.774 50 30 EHEARN C=CC1CCN(C(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000096496092 218873860 /nfs/dbraw/zinc/87/38/60/218873860.db2.gz SSBHWXJYZRAYNP-NSHDSACASA-N 0 0 343.393 3.590 50 30 EHEARN O=S(=O)(O/N=C1\CCCc2sc(Cl)cc21)c1ccccc1 ZINC000004956345 210339324 /nfs/dbraw/zinc/33/93/24/210339324.db2.gz JFFZLZSXDACVBY-FOWTUZBSSA-N 0 0 341.841 3.847 50 30 EHEARN CCCSC1=N/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)S1 ZINC000004907256 210319081 /nfs/dbraw/zinc/31/90/81/210319081.db2.gz LCEIBFCSDOBJPV-YFHOEESVSA-N 0 0 338.410 3.717 50 30 EHEARN N#Cc1cnc(NCc2ccn(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000153622200 224132470 /nfs/dbraw/zinc/13/24/70/224132470.db2.gz WKBJJRPYCHZCRD-UHFFFAOYSA-N 0 0 327.750 3.544 50 30 EHEARN CC(C)n1cnnc1C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000097233388 219001492 /nfs/dbraw/zinc/00/14/92/219001492.db2.gz CKXIQMALODTDBP-UHFFFAOYSA-N 0 0 346.438 3.663 50 30 EHEARN C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000004844906 210297535 /nfs/dbraw/zinc/29/75/35/210297535.db2.gz UPZAOEPPXSSFLJ-MHTUQYMHSA-N 0 0 333.387 3.586 50 30 EHEARN C/C(=N/N=C1/NC(=O)[C@H](Cc2ccccc2)S1)c1ccc(C)cc1 ZINC000004866461 210307262 /nfs/dbraw/zinc/30/72/62/210307262.db2.gz ZRIAOIYEYUFHNE-XESZTULISA-N 0 0 337.448 3.549 50 30 EHEARN O=C(Nc1c[nH]nc1-c1nccs1)N[C@H]1CCCc2occc21 ZINC000328598368 258041809 /nfs/dbraw/zinc/04/18/09/258041809.db2.gz LWDPTWACZDLAFK-JTQLQIEISA-N 0 0 329.385 3.530 50 30 EHEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccncc1 ZINC000006609691 258044805 /nfs/dbraw/zinc/04/48/05/258044805.db2.gz FWLSRGGZAWRQJQ-UHFFFAOYSA-N 0 0 333.420 3.690 50 30 EHEARN C=CCN(C[C@@H]1CC(c2ccccc2)=NO1)C(=O)c1cccs1 ZINC000006695080 258044930 /nfs/dbraw/zinc/04/49/30/258044930.db2.gz AKXMKLXWIGLPEW-HNNXBMFYSA-N 0 0 326.421 3.570 50 30 EHEARN C=CCn1c(C)nnc1SCC(=O)c1cc(C)c(F)cc1Cl ZINC000089570416 258001815 /nfs/dbraw/zinc/00/18/15/258001815.db2.gz WEVGYCDUWFGELA-UHFFFAOYSA-N 0 0 339.823 3.848 50 30 EHEARN Cc1nccc(-c2cccc(NN=C(C#N)C(=O)c3ccccc3)c2)n1 ZINC000000124763 258047122 /nfs/dbraw/zinc/04/71/22/258047122.db2.gz GVMYIKWBMYTZRK-NCELDCMTSA-N 0 0 341.374 3.626 50 30 EHEARN C=CCn1c(C)nnc1SCC(=O)N[C@H](CCC)c1ccccc1 ZINC000012848984 258017148 /nfs/dbraw/zinc/01/71/48/258017148.db2.gz WFMJHBDYNNARHM-MRXNPFEDSA-N 0 0 344.484 3.522 50 30 EHEARN C/C(=N\NC(=S)Nc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000013544405 258056048 /nfs/dbraw/zinc/05/60/48/258056048.db2.gz FLYCVWRAAKZMQN-LDADJPATSA-N 0 0 328.397 3.614 50 30 EHEARN Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccccn1 ZINC000072477966 258064749 /nfs/dbraw/zinc/06/47/49/258064749.db2.gz OHAWMDVHKMOSAI-HXUWFJFHSA-N 0 0 344.418 3.580 50 30 EHEARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000257346605 258073664 /nfs/dbraw/zinc/07/36/64/258073664.db2.gz VVSMJVQHDZUPIL-JJGBUQAHSA-N 0 0 344.451 3.629 50 30 EHEARN Cc1ccc(C(=O)ONC(=N)c2cccc(Br)c2)c(C)c1 ZINC000008575247 262520762 /nfs/dbraw/zinc/52/07/62/262520762.db2.gz TYFLYZSBRQIOQQ-UHFFFAOYSA-N 0 0 347.212 3.543 50 30 EHEARN C#CC[C@H](OC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccccn1 ZINC000097039068 518338857 /nfs/dbraw/zinc/33/88/57/518338857.db2.gz MCJRUOGDWMEAKJ-SFHVURJKSA-N 0 0 348.406 3.637 50 30 EHEARN C#CCn1c2c(cccc2C)sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100910044 518340789 /nfs/dbraw/zinc/34/07/89/518340789.db2.gz ZSCMWFUTGXZIOG-MRCUWXFGSA-N 0 0 348.427 3.588 50 30 EHEARN C=CCN(C[C@H]1CC(c2ccc(F)cc2)=NO1)C(=O)C1CCCC1 ZINC000006874514 518777377 /nfs/dbraw/zinc/77/73/77/518777377.db2.gz SGUQJFCBHDAHOB-QGZVFWFLSA-N 0 0 330.403 3.524 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccco1 ZINC000004513099 518798155 /nfs/dbraw/zinc/79/81/55/518798155.db2.gz FQYJNBVOCODJMH-UHFFFAOYSA-N 0 0 343.770 3.811 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(F)cc1 ZINC000005450864 518798665 /nfs/dbraw/zinc/79/86/65/518798665.db2.gz OXZPHXZZYLHBTF-UHFFFAOYSA-N 0 0 337.354 3.704 50 30 EHEARN C=CCc1ccc(OCC(=O)Nc2cc(F)cc(F)c2)c(OC)c1 ZINC000010905373 519135355 /nfs/dbraw/zinc/13/53/55/519135355.db2.gz QIDGEWZDKTWWMU-UHFFFAOYSA-N 0 0 333.334 3.719 50 30 EHEARN C=CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccccc1 ZINC000000280581 519160250 /nfs/dbraw/zinc/16/02/50/519160250.db2.gz DWQPTTWZHBGULO-UHFFFAOYSA-N 0 0 336.416 3.558 50 30 EHEARN C=CCn1c([C@@H](CCCC)C[C@H](O)COCC(C)C)n[nH]c1=S ZINC000005737151 519259374 /nfs/dbraw/zinc/25/93/74/519259374.db2.gz YMMCAWZUKOBVRL-GJZGRUSLSA-N 0 0 341.521 3.824 50 30 EHEARN CCCOc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004737976 520471763 /nfs/dbraw/zinc/47/17/63/520471763.db2.gz BIDZWLDHUZHPDQ-GZTJUZNOSA-N 0 0 344.327 3.738 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccco1 ZINC000006206548 521091280 /nfs/dbraw/zinc/09/12/80/521091280.db2.gz PUNHRUPYGDAELG-LPHOPBHVSA-N 0 0 340.375 3.608 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000003901941 521184023 /nfs/dbraw/zinc/18/40/23/521184023.db2.gz WJDUCWWSKQGQHE-FGTMMUONSA-N 0 0 329.440 3.753 50 30 EHEARN COc1cc(C(=O)OCC#N)ccc1OCc1ccc(Cl)cc1 ZINC000003353051 522168517 /nfs/dbraw/zinc/16/85/17/522168517.db2.gz YIRLOHODJHPICJ-UHFFFAOYSA-N 0 0 331.755 3.608 50 30 EHEARN COc1ccc(C(=O)O/N=C(/c2ccccc2)c2ccncc2)cc1 ZINC000000216725 523769033 /nfs/dbraw/zinc/76/90/33/523769033.db2.gz TWZZGFWXLCVVQI-QOCHGBHMSA-N 0 0 332.359 3.700 50 30 biogenic EHEARN CCc1ccc(C=NN2C(=S)N=NC2c2ccc(OC)cc2)cc1 ZINC000239046631 523903382 /nfs/dbraw/zinc/90/33/82/523903382.db2.gz FUWLRIJIALURDR-UHFFFAOYSA-N 0 0 338.436 3.687 50 30 EHEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3C[C@@H]3O[C@@]32C1 ZINC000253499948 534779507 /nfs/dbraw/zinc/77/95/07/534779507.db2.gz RUQCGCWODJEVJZ-KWHIDCMWSA-N 0 0 346.467 3.661 50 30 biogenic EHEARN COc1ccc(NC(=O)CO/N=C(\C)c2ccc(Cl)cc2)cc1 ZINC000004697053 524500268 /nfs/dbraw/zinc/50/02/68/524500268.db2.gz DGOBKQUHAIYCFU-UDWIEESQSA-N 0 0 332.787 3.728 50 30 EHEARN N=C(NOC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000004389872 526810014 /nfs/dbraw/zinc/81/00/14/526810014.db2.gz HUPDLMLORUQVCJ-UHFFFAOYSA-N 0 0 342.704 3.836 50 30 EHEARN CCc1cc(C#N)c(NC(=O)c2cccc(N3CCCC3=O)c2)s1 ZINC000253415919 536097862 /nfs/dbraw/zinc/09/78/62/536097862.db2.gz CBEXBZRUOVOWRQ-UHFFFAOYSA-N 0 0 339.420 3.561 50 30 EHEARN CC(C)(C)c1ccc(C=NN2C(=S)N=NC2c2ccncc2)cc1 ZINC000001246935 563381241 /nfs/dbraw/zinc/38/12/41/563381241.db2.gz RWBFOBXMHNKTCX-UDWIEESQSA-N 0 0 337.452 3.809 50 30 EHEARN S=C1N=NC(c2cccnc2)N1N=Cc1cccc2ccccc12 ZINC000001248346 563381312 /nfs/dbraw/zinc/38/13/12/563381312.db2.gz MXCLLMMVQLCBJM-UDWIEESQSA-N 0 0 331.404 3.664 50 30 EHEARN Fc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000001302935 563383174 /nfs/dbraw/zinc/38/31/74/563383174.db2.gz MPRBLRBYWZJMMQ-GIJQJNRQSA-N 0 0 332.791 3.909 50 30 EHEARN CO[C@@H](C(=O)Nc1ccc(C#N)cc1Br)c1ccccc1 ZINC000071899952 563498061 /nfs/dbraw/zinc/49/80/61/563498061.db2.gz YPLTVONTSSBWHQ-OAHLLOKOSA-N 0 0 345.196 3.647 50 30 EHEARN C=CCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1 ZINC000005283138 563525230 /nfs/dbraw/zinc/52/52/30/563525230.db2.gz VOTJVEMDJNMVJS-CPNJWEJPSA-N 0 0 336.420 3.681 50 30 EHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2)cc1 ZINC000006819630 563587900 /nfs/dbraw/zinc/58/79/00/563587900.db2.gz LVLYLYNABJIPKF-FUHWJXTLSA-N 0 0 347.414 3.700 50 30 EHEARN CCOc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1 ZINC000002749461 563611728 /nfs/dbraw/zinc/61/17/28/563611728.db2.gz VNSFLCXEJHUNRR-VXLYETTFSA-N 0 0 341.436 3.664 50 30 EHEARN COc1ccc(OC)c(/C=C\C(=O)c2ccc(-n3ccnc3)cc2)c1 ZINC000097475339 563640244 /nfs/dbraw/zinc/64/02/44/563640244.db2.gz VRZSQOWXLCCLST-UITAMQMPSA-N 0 0 334.375 3.786 50 30 EHEARN N#CCC[C@@H](C#N)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000012799720 563673425 /nfs/dbraw/zinc/67/34/25/563673425.db2.gz AKNOGCYBVJXMQW-ZDUSSCGKSA-N 0 0 334.404 3.569 50 30 EHEARN COc1ccccc1OCc1nc(C#N)c(NCc2ccccc2)o1 ZINC000032675051 563677132 /nfs/dbraw/zinc/67/71/32/563677132.db2.gz KFMAXIQGSDVELP-UHFFFAOYSA-N 0 0 335.363 3.746 50 30 EHEARN COc1cccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c1OC ZINC000013513786 563700322 /nfs/dbraw/zinc/70/03/22/563700322.db2.gz TYKQZEBWASXTHH-PTNGSMBKSA-N 0 0 340.404 3.595 50 30 EHEARN COC(=NC(=O)c1cccc(OC)c1)N[C@H]1CCCc2ccccc21 ZINC000004519721 563751207 /nfs/dbraw/zinc/75/12/07/563751207.db2.gz JNQOMEUMEDSWMX-SFHVURJKSA-N 0 0 338.407 3.505 50 30 EHEARN C#CCOC(=O)CCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003105963 563757160 /nfs/dbraw/zinc/75/71/60/563757160.db2.gz ANIRIIKNGYOTAB-UHFFFAOYSA-N 0 0 334.586 3.542 50 30 EHEARN CCOC(=O)c1c(NC(C)=O)sc(/C(C)=N/O)c1-c1ccccc1 ZINC000017903291 563846158 /nfs/dbraw/zinc/84/61/58/563846158.db2.gz IHTFNFQGKDTXIC-VXLYETTFSA-N 0 0 346.408 3.748 50 30 EHEARN Cc1cccc(NC(=S)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000018006273 563847103 /nfs/dbraw/zinc/84/71/03/563847103.db2.gz VFQQMNPIPMXSQY-RQZCQDPDSA-N 0 0 348.815 3.877 50 30 EHEARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC000096413210 563950877 /nfs/dbraw/zinc/95/08/77/563950877.db2.gz DQCFQOWKNBHSRI-OAHLLOKOSA-N 0 0 346.438 3.663 50 30 EHEARN COc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)c(Cl)c1 ZINC000096461480 563954059 /nfs/dbraw/zinc/95/40/59/563954059.db2.gz PMVFSLJDFIKVLM-UHFFFAOYSA-N 0 0 344.802 3.691 50 30 EHEARN Cc1nscc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000097101964 563967689 /nfs/dbraw/zinc/96/76/89/563967689.db2.gz YUMVTFNENFQCAA-UHFFFAOYSA-N 0 0 329.469 3.776 50 30 EHEARN C[C@H](Nc1ncnc2c1cnn2CCC#N)c1cc2ccccc2o1 ZINC000097200334 563970434 /nfs/dbraw/zinc/97/04/34/563970434.db2.gz QEAABACVTFNOLS-LBPRGKRZSA-N 0 0 332.367 3.659 50 30 EHEARN Cc1nc(-c2c(C)c(-c3ccc(Cl)s3)nc(N)c2C#N)c[nH]1 ZINC000071763137 563983035 /nfs/dbraw/zinc/98/30/35/563983035.db2.gz DDYOOGAHNSHTEQ-UHFFFAOYSA-N 0 0 329.816 3.924 50 30 EHEARN CN1c2ccccc2C(=CNc2sc3c(c2C#N)CCCC3)C1=O ZINC000100260015 563991960 /nfs/dbraw/zinc/99/19/60/563991960.db2.gz NDQFDDZSJUBEBX-RVDMUPIBSA-N 0 0 335.432 3.928 50 30 EHEARN CC(C)C[C@@H](C)N(C(=O)c1cnn(C)c1C#N)c1ccc2[nH]ccc2c1 ZINC000408515369 563993016 /nfs/dbraw/zinc/99/30/16/563993016.db2.gz NFILDWVDLMRJGN-CQSZACIVSA-N 0 0 349.438 3.854 50 30 EHEARN COc1cc(C=Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC(C)=O ZINC000252461290 563997660 /nfs/dbraw/zinc/99/76/60/563997660.db2.gz LVJZADWUTUGRGH-UHFFFAOYSA-N 0 0 328.324 3.588 50 30 EHEARN CC(=O)C(=NNc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1 ZINC000252627043 563997984 /nfs/dbraw/zinc/99/79/84/563997984.db2.gz RKVRBPKTRIHMGQ-UHFFFAOYSA-N 0 0 333.731 3.642 50 30 EHEARN CC(N=Nc1nccnc1Cl)c1ccc(Br)cc1 ZINC000252628983 563998017 /nfs/dbraw/zinc/99/80/17/563998017.db2.gz TWFGDIDYJMRWOA-UHFFFAOYSA-N 0 0 325.597 3.729 50 30 EHEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccccc1 ZINC000005179571 564000048 /nfs/dbraw/zinc/00/00/48/564000048.db2.gz HJEUUIBKBPXGFF-UNOMPAQXSA-N 0 0 343.338 3.917 50 30 EHEARN N#C[C@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1cccc(O)c1 ZINC000061719852 564000457 /nfs/dbraw/zinc/00/04/57/564000457.db2.gz UZEVLXCHGQZJSY-NSHDSACASA-N 0 0 339.782 3.848 50 30 EHEARN C/C=C/c1ccc(OCC(=O)OCc2ccccc2C#N)c(OC)c1 ZINC000005230693 564001364 /nfs/dbraw/zinc/00/13/64/564001364.db2.gz KECXHJUKDDTLQL-ZZXKWVIFSA-N 0 0 337.375 3.722 50 30 EHEARN CSc1cccc(-c2nnc(NC(=O)c3ccc(C#N)cc3)o2)c1 ZINC000005240256 564001448 /nfs/dbraw/zinc/00/14/48/564001448.db2.gz LXOFWQNPDWLYIB-UHFFFAOYSA-N 0 0 336.376 3.582 50 30 EHEARN COc1ccc(OC)c(CN=Nc2ncnc3c4ccccc4[nH]c32)c1 ZINC000005339180 564002765 /nfs/dbraw/zinc/00/27/65/564002765.db2.gz IPLKQPQBUOINCG-LSHDLFTRSA-N 0 0 347.378 3.574 50 30 EHEARN N#Cc1ccc(COC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000005655752 564007035 /nfs/dbraw/zinc/00/70/35/564007035.db2.gz MDBCKVMXPTXAIS-UHFFFAOYSA-N 0 0 336.174 3.987 50 30 EHEARN CC1(C)Cc2c(C#N)c(NC(=O)Cc3ccccc3)sc2CO1 ZINC000000495454 564017935 /nfs/dbraw/zinc/01/79/35/564017935.db2.gz CZHLXWTUWNFEMU-UHFFFAOYSA-N 0 0 326.421 3.652 50 30 EHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(Cl)c1 ZINC000103504666 564022592 /nfs/dbraw/zinc/02/25/92/564022592.db2.gz YXTWQBGRLNIAOQ-CQSZACIVSA-N 0 0 342.782 3.700 50 30 EHEARN N#C[C@@H](C(=O)CCc1ccccc1F)C(=O)Nc1ccccc1Cl ZINC000103504503 564022621 /nfs/dbraw/zinc/02/26/21/564022621.db2.gz ADTZZNANZJRIOO-ZDUSSCGKSA-N 0 0 344.773 3.759 50 30 EHEARN S=C(N/N=C/c1ccncc1)Nc1ccc(Cl)cc1Cl ZINC000000547392 564022768 /nfs/dbraw/zinc/02/27/68/564022768.db2.gz JZHAWKMWMGJRFU-CAOOACKPSA-N 0 0 325.224 3.709 50 30 EHEARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000048367982 564031605 /nfs/dbraw/zinc/03/16/05/564031605.db2.gz GSLWBNBQGVAYOU-UHFFFAOYSA-N 0 0 328.865 3.514 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)[C@@H](C#N)c1ccccn1 ZINC000049456367 564032741 /nfs/dbraw/zinc/03/27/41/564032741.db2.gz DXKRZPRKSDKROW-JZHDPFOFSA-N 0 0 342.402 3.774 50 30 EHEARN N#CCC[C@H](C#N)Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000095974744 564036003 /nfs/dbraw/zinc/03/60/03/564036003.db2.gz SKDKQEYFIQEJHI-GFCCVEGCSA-N 0 0 329.201 3.756 50 30 EHEARN CC(C)(C#N)c1nc(Cc2nc(-c3c(F)cccc3F)cs2)no1 ZINC000239762176 564051689 /nfs/dbraw/zinc/05/16/89/564051689.db2.gz CLCPXDTZLIMONO-UHFFFAOYSA-N 0 0 346.362 3.863 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C ZINC000257357866 564055981 /nfs/dbraw/zinc/05/59/81/564055981.db2.gz QLULPRPVLIPVFS-JJLQGZOSSA-N 0 0 332.484 3.727 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc3c(c1)OCO3)CCc1ccccc1-2 ZINC000019095780 564056260 /nfs/dbraw/zinc/05/62/60/564056260.db2.gz WQMGKVCBGMZBHL-UHFFFAOYSA-N 0 0 341.370 3.697 50 30 EHEARN C=CCc1cc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)cc(OC)c1O ZINC000071763815 564063800 /nfs/dbraw/zinc/06/38/00/564063800.db2.gz PXGAVWLJCHIHKW-UHFFFAOYSA-N 0 0 346.390 3.640 50 30 EHEARN C=CCN(CC=C)C(=O)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000072268265 564063802 /nfs/dbraw/zinc/06/38/02/564063802.db2.gz GBTDDMJHBNDASO-GOSISDBHSA-N 0 0 325.387 3.694 50 30 EHEARN C#CCN(C(=O)/C=C/c1ccc(OC)c(OCC)c1)C1CCCCC1 ZINC000058023092 564065278 /nfs/dbraw/zinc/06/52/78/564065278.db2.gz SPBZVYNVJQQGDK-WYMLVPIESA-N 0 0 341.451 3.902 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)CSC1=Nc2ccccc2CS1 ZINC000012745253 564065615 /nfs/dbraw/zinc/06/56/15/564065615.db2.gz QRNLPGOPVOKJNM-INIZCTEOSA-N 0 0 333.482 3.709 50 30 EHEARN N#CC1(NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000084541253 564068628 /nfs/dbraw/zinc/06/86/28/564068628.db2.gz OURBBPMHOSCQIX-OALUTQOASA-N 0 0 332.403 3.541 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000014095658 564074061 /nfs/dbraw/zinc/07/40/61/564074061.db2.gz WXJPONRLWGMZFG-KRWDZBQOSA-N 0 0 343.430 3.807 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000014095659 564074080 /nfs/dbraw/zinc/07/40/80/564074080.db2.gz WXJPONRLWGMZFG-QGZVFWFLSA-N 0 0 343.430 3.807 50 30 EHEARN C=CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C ZINC000002107343 564074840 /nfs/dbraw/zinc/07/48/40/564074840.db2.gz DJYIMXVYZIXRNH-UHFFFAOYSA-N 0 0 336.800 3.700 50 30 EHEARN C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)nc2ccccc21 ZINC000012914233 564077978 /nfs/dbraw/zinc/07/79/78/564077978.db2.gz QUWUKPLNUWWCCV-UHFFFAOYSA-N 0 0 345.402 3.711 50 30 EHEARN C#Cc1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000012944860 564079670 /nfs/dbraw/zinc/07/96/70/564079670.db2.gz PDVFJAOBYGAIST-FQEVSTJZSA-N 0 0 330.387 3.571 50 30 EHEARN C=CCn1c(Sc2ccnc(C(C)C)n2)nnc1-c1ccccn1 ZINC000152402282 564086555 /nfs/dbraw/zinc/08/65/55/564086555.db2.gz JHSWLMXTTMHBIA-UHFFFAOYSA-N 0 0 338.440 3.591 50 30 EHEARN CCc1ccccc1N=C1c2c(cccc2[N+](=O)[O-])C(=O)[C@@H]1C(C)=O ZINC000252623832 564086996 /nfs/dbraw/zinc/08/69/96/564086996.db2.gz PAGUEJMIVOWZAG-MRXNPFEDSA-N 0 0 336.347 3.680 50 30 EHEARN O=C1C=Cc2ccccc2C1=NNc1ccc(Br)cc1 ZINC000252428588 564089400 /nfs/dbraw/zinc/08/94/00/564089400.db2.gz OOQHGNPYDRUCHT-UHFFFAOYSA-N 0 0 327.181 3.861 50 30 EHEARN Cc1cn2c(/C=C\C(=O)c3ccc(N(C)C)cc3)c(C)nc2s1 ZINC000096930402 564092461 /nfs/dbraw/zinc/09/24/61/564092461.db2.gz OXJYHHMGRYIMIJ-KTKRTIGZSA-N 0 0 325.437 3.975 50 30 EHEARN N#Cc1ccccc1NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000006646746 564095059 /nfs/dbraw/zinc/09/50/59/564095059.db2.gz YVNBBYXOIJGJBE-UHFFFAOYSA-N 0 0 337.766 3.777 50 30 EHEARN C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)NCC ZINC000036115170 564096203 /nfs/dbraw/zinc/09/62/03/564096203.db2.gz DIFFEKOSGKRZFZ-UHFFFAOYSA-N 0 0 345.468 3.748 50 30 EHEARN CN1CCc2c(C#N)c(NC(=O)Nc3cccc(Cl)c3)sc2C1 ZINC000006759899 564097321 /nfs/dbraw/zinc/09/73/21/564097321.db2.gz NVGUDRWFHUGEPI-UHFFFAOYSA-N 0 0 346.843 3.905 50 30 EHEARN CSc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)ccc1F ZINC000155566918 564098563 /nfs/dbraw/zinc/09/85/63/564098563.db2.gz GPBODAPRMUSUNH-AWEZNQCLSA-N 0 0 342.395 3.817 50 30 EHEARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000065084353 564100861 /nfs/dbraw/zinc/10/08/61/564100861.db2.gz ZLNMUDLCGCNYTB-UHFFFAOYSA-N 0 0 343.386 3.538 50 30 EHEARN N#Cc1cccc(C(=O)N2CCCn3nc(-c4cccs4)cc3C2)c1 ZINC000065225481 564103078 /nfs/dbraw/zinc/10/30/78/564103078.db2.gz BGFFNCXPGPLJQN-UHFFFAOYSA-N 0 0 348.431 3.529 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1cc2ccccc2[nH]c1=O ZINC000524730212 564103743 /nfs/dbraw/zinc/10/37/43/564103743.db2.gz ZWWOPOPIKJAWQJ-GFCCVEGCSA-N 0 0 337.375 3.614 50 30 biogenic EHEARN CCOc1ccc(C(C)=O)cc1COc1ccc(C#N)cc1OC ZINC000007470594 564108744 /nfs/dbraw/zinc/10/87/44/564108744.db2.gz CTLJEQUWGUHQGL-UHFFFAOYSA-N 0 0 325.364 3.747 50 30 EHEARN C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000071825485 564111335 /nfs/dbraw/zinc/11/13/35/564111335.db2.gz RWBBUHIDWRRNHS-OXQOHEQNSA-N 0 0 349.434 3.864 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000089858199 564114298 /nfs/dbraw/zinc/11/42/98/564114298.db2.gz RYSAAQAHUDBQJG-UNMCSNQZSA-N 0 0 345.446 3.618 50 30 EHEARN O=[N+]([O-])c1ccc(F)c(N=Cc2cc(Br)ccc2O)c1 ZINC000252461223 564118680 /nfs/dbraw/zinc/11/86/80/564118680.db2.gz LLDCWDPSYKJBPL-UHFFFAOYSA-N 0 0 339.120 3.953 50 30 EHEARN CCCCc1noc([C@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)n1 ZINC000252475168 564119010 /nfs/dbraw/zinc/11/90/10/564119010.db2.gz VFGIZPZCSQLOJO-ZDUSSCGKSA-N 0 0 344.415 3.872 50 30 EHEARN Cc1ccc(C(=O)N2CCSCC2)cc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000252481738 564119196 /nfs/dbraw/zinc/11/91/96/564119196.db2.gz CRBIPZNEMHRZGR-WBVHZDCISA-N 0 0 343.496 3.678 50 30 EHEARN Cc1cccc(NN=C(C#N)C(=O)c2ccc(Br)cc2)c1 ZINC000252604788 564121254 /nfs/dbraw/zinc/12/12/54/564121254.db2.gz GDBJMTSLSVQSLJ-UHFFFAOYSA-N 0 0 342.196 3.932 50 30 EHEARN COCCN1C(=O)/C(=C\c2ccccc2)SC1=Nc1ccccc1 ZINC000252611282 564121793 /nfs/dbraw/zinc/12/17/93/564121793.db2.gz IINMOWDGYRHBEL-HLTUOKJWSA-N 0 0 338.432 3.937 50 30 EHEARN C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccccc1C#N ZINC000007701768 564122078 /nfs/dbraw/zinc/12/20/78/564122078.db2.gz POIBDHDTDKPJIN-AWEZNQCLSA-N 0 0 328.412 3.789 50 30 EHEARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C#N)cc2Cl)c1C ZINC000007856321 564124276 /nfs/dbraw/zinc/12/42/76/564124276.db2.gz PEWGCCKJUNHBCJ-UHFFFAOYSA-N 0 0 330.771 3.621 50 30 EHEARN C#CCSc1nc2c(c(=O)n1CC=C)C(C)(C)Cc1ccccc1-2 ZINC000002334957 564132395 /nfs/dbraw/zinc/13/23/95/564132395.db2.gz VENBYGVQLVNVHF-UHFFFAOYSA-N 0 0 336.460 3.655 50 30 EHEARN Cc1c(C(=O)Nc2sc3c(c2C#N)CCC3)cccc1[N+](=O)[O-] ZINC000000089037 564132789 /nfs/dbraw/zinc/13/27/89/564132789.db2.gz BYUAAKVGLLSREB-UHFFFAOYSA-N 0 0 327.365 3.577 50 30 EHEARN N#Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000000334700 564133109 /nfs/dbraw/zinc/13/31/09/564133109.db2.gz BTEHVRQGZOUSGI-UHFFFAOYSA-N 0 0 327.365 3.659 50 30 EHEARN N#Cc1ccccc1OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000000614196 564133498 /nfs/dbraw/zinc/13/34/98/564133498.db2.gz NMMOOQQPRPMVCV-UHFFFAOYSA-N 0 0 342.398 3.843 50 30 EHEARN CC(=O)Nc1ccc(Cl)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000349621354 564133729 /nfs/dbraw/zinc/13/37/29/564133729.db2.gz YOLSHZZTBXREPB-UHFFFAOYSA-N 0 0 341.798 3.741 50 30 EHEARN N#Cc1ccnc(N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)c1 ZINC000067881058 564134964 /nfs/dbraw/zinc/13/49/64/564134964.db2.gz BPTZPKQUILYCSQ-SFHVURJKSA-N 0 0 343.434 3.651 50 30 EHEARN N#Cc1ccc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)nc1 ZINC000082107220 564135556 /nfs/dbraw/zinc/13/55/56/564135556.db2.gz LQBHSSWKXMAKRC-LJQANCHMSA-N 0 0 343.434 3.582 50 30 EHEARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000012987189 564135757 /nfs/dbraw/zinc/13/57/57/564135757.db2.gz CSCMFUFTVZHXOL-KGLIPLIRSA-N 0 0 334.375 3.949 50 30 EHEARN O=C(NCCCCc1ccc(Cl)s1)C1(O)CCSCC1 ZINC000328592307 564136728 /nfs/dbraw/zinc/13/67/28/564136728.db2.gz ZJNNVPKWCJEJRZ-UHFFFAOYSA-N 0 0 333.906 3.939 50 30 EHEARN C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CCCCC1=O ZINC000095350017 564139250 /nfs/dbraw/zinc/13/92/50/564139250.db2.gz SVJOXTUDBLOKSF-MRXNPFEDSA-N 0 0 327.453 3.659 50 30 EHEARN O=C(Cn1ccc2c1cccc2Cl)Nc1n[nH]c([C@@H]2CCCO2)n1 ZINC000095474189 564141377 /nfs/dbraw/zinc/14/13/77/564141377.db2.gz FCKXUQUQEALLJV-ZDUSSCGKSA-N 0 0 345.790 3.553 50 30 EHEARN CN(CCC1(O)CCCC1)C(=O)Nc1ccc(C#N)c2ccccc12 ZINC000096151396 564145803 /nfs/dbraw/zinc/14/58/03/564145803.db2.gz MRAFSZCVCCUBJC-UHFFFAOYSA-N 0 0 337.423 3.870 50 30 EHEARN COCCOc1cccc(F)c1C(=O)/C=C\c1cccc(C#N)c1 ZINC000096258933 564146188 /nfs/dbraw/zinc/14/61/88/564146188.db2.gz NNIIKFHVOPFJML-HJWRWDBZSA-N 0 0 325.339 3.619 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)/C=C\c1ccc(F)cc1 ZINC000096292600 564146474 /nfs/dbraw/zinc/14/64/74/564146474.db2.gz NIUWLEYTCNTGBC-YFHOEESVSA-N 0 0 325.343 3.555 50 30 EHEARN CCn1c(S[C@H](C)CCC#N)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000284233778 564148976 /nfs/dbraw/zinc/14/89/76/564148976.db2.gz NGUIBIBFYSTAIB-LLVKDONJSA-N 0 0 331.401 3.658 50 30 EHEARN Cc1c(Cl)cccc1N1CCCN(C[C@H](C#N)CCC#N)CC1 ZINC000284695542 564149178 /nfs/dbraw/zinc/14/91/78/564149178.db2.gz IDMAAKWBFUYXPX-INIZCTEOSA-N 0 0 330.863 3.604 50 30 EHEARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000002625370 564151307 /nfs/dbraw/zinc/15/13/07/564151307.db2.gz JYCYMLZTJJLYNG-LBPRGKRZSA-N 0 0 325.799 3.601 50 30 EHEARN O=[N+]([O-])c1cccc(Cl)c1/C=N/NC(=S)Nc1ccccc1 ZINC000670432357 564155941 /nfs/dbraw/zinc/15/59/41/564155941.db2.gz UUALJWOBNJEECH-CXUHLZMHSA-N 0 0 334.788 3.569 50 30 EHEARN COc1cccc(C(=O)c2c(C)c(CCC#N)n3ccccc23)c1OC ZINC000003241482 564156488 /nfs/dbraw/zinc/15/64/88/564156488.db2.gz ZMEDHXRQSORORU-UHFFFAOYSA-N 0 0 348.402 3.952 50 30 EHEARN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(C#N)cc2F)o1 ZINC000058412699 564159044 /nfs/dbraw/zinc/15/90/44/564159044.db2.gz FCGPRGKSAPVILE-IBGZPJMESA-N 0 0 348.381 3.688 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2nc(C)n(C)c2c1 ZINC000355319540 564159343 /nfs/dbraw/zinc/15/93/43/564159343.db2.gz QSPJSTHYACVFBM-UHFFFAOYSA-N 0 0 344.418 3.582 50 30 EHEARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2NCC#N ZINC000059409791 564161202 /nfs/dbraw/zinc/16/12/02/564161202.db2.gz WWGMIWNOEKZCJH-OIFNNXFWSA-N 0 0 330.516 3.872 50 30 biogenic EHEARN COc1ccccc1-c1noc(CNc2ccc(Cl)c(C#N)c2)n1 ZINC000008705942 564166478 /nfs/dbraw/zinc/16/64/78/564166478.db2.gz AFOHPKKRTXACOD-UHFFFAOYSA-N 0 0 340.770 3.882 50 30 EHEARN CC(=O)c1cccc(O[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000068902259 564167827 /nfs/dbraw/zinc/16/78/27/564167827.db2.gz QKKVPCNTRICKCN-CJNGLKHVSA-N 0 0 348.358 3.674 50 30 EHEARN CN(C(=O)c1ccc(C#N)cc1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069528415 564170222 /nfs/dbraw/zinc/17/02/22/564170222.db2.gz NQZZCIDBVOHJKJ-FQEVSTJZSA-N 0 0 345.377 3.954 50 30 EHEARN CC(=O)Nc1ccc(Br)cc1NCc1ccccc1C#N ZINC000069568392 564170575 /nfs/dbraw/zinc/17/05/75/564170575.db2.gz YKKJNEGCOLATEB-UHFFFAOYSA-N 0 0 344.212 3.891 50 30 EHEARN N#Cc1c(NC(=O)c2cc3cc(Cl)ccc3o2)nc2n1CCS2 ZINC000069594709 564170822 /nfs/dbraw/zinc/17/08/22/564170822.db2.gz NJVMBLKHEVIASS-UHFFFAOYSA-N 0 0 344.783 3.512 50 30 EHEARN Cc1noc(C)c1CC(=O)N(CC1CC1)c1cc(Cl)ccc1C#N ZINC000069630271 564171078 /nfs/dbraw/zinc/17/10/78/564171078.db2.gz CPXZZDDYKQXZIZ-UHFFFAOYSA-N 0 0 343.814 3.802 50 30 EHEARN N#Cc1ccnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000071765127 564175242 /nfs/dbraw/zinc/17/52/42/564175242.db2.gz XIEVBICUIXEIIH-OAHLLOKOSA-N 0 0 334.206 3.838 50 30 EHEARN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1Br)c1ccccn1 ZINC000071850171 564175988 /nfs/dbraw/zinc/17/59/88/564175988.db2.gz QLVDARAVZQQIMR-MJBXVCDLSA-N 0 0 341.208 3.824 50 30 EHEARN O=C(N=C1NCCS1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000071872165 564176166 /nfs/dbraw/zinc/17/61/66/564176166.db2.gz XEMJVDGQRCZEDG-UHFFFAOYSA-N 0 0 342.386 3.736 50 30 EHEARN N#CCCSc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000078568547 564176966 /nfs/dbraw/zinc/17/69/66/564176966.db2.gz NKQRVIWFBOVKQL-UHFFFAOYSA-N 0 0 327.365 3.853 50 30 EHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2c(Cl)nc3sccn32)cc1 ZINC000078876768 1016581716 /nfs/dbraw/zinc/58/17/16/1016581716.db2.gz NVFYQKFUSMHNRU-QPJJXVBHSA-N 0 0 345.811 3.904 50 30 EHEARN COc1cc(/C=C2\CCOc3c(C)cccc3C2=O)ccc1OCC#N ZINC000029217794 1025024880 /nfs/dbraw/zinc/02/48/80/1025024880.db2.gz IKFIMTYXANJPFH-FOWTUZBSSA-N 0 0 349.386 3.955 50 30 EHEARN O=S(=O)(CCc1ccccc1)/N=C\c1c(O)ccc2ccccc21 ZINC000100459955 1027449980 /nfs/dbraw/zinc/44/99/80/1027449980.db2.gz VOIJOUODQSQIGM-ZHZULCJRSA-N 0 0 339.416 3.537 50 30 EHEARN CCCC/N=C1\SCC(c2ccc(NC(=O)C(C)C)cc2)=NN1C ZINC000015406751 1039455405 /nfs/dbraw/zinc/45/54/05/1039455405.db2.gz FZDPKEUAXYXGKB-HNENSFHCSA-N 0 0 346.500 3.820 50 30 EHEARN FC(F)(F)c1ccccc1NC(=S)NN=C1C[C@H]2CC=C[C@@H]12 ZINC000254760839 1041156711 /nfs/dbraw/zinc/15/67/11/1041156711.db2.gz KEWKHWSOEKBVJT-NXEZZACHSA-N 0 0 325.359 3.944 50 30 EHEARN COc1cc(/C=C\C(=O)Nc2cccc(Cl)c2)ccc1OCC#N ZINC000033470018 1122747323 /nfs/dbraw/zinc/74/73/23/1122747323.db2.gz IYCYRMKIBRFHIO-VURMDHGXSA-N 0 0 342.782 3.903 50 30 EHEARN C#CCCC1(CCC(=O)N(C)Cc2ccccc2N2CCCC2)N=N1 ZINC000952880454 1137483180 /nfs/dbraw/zinc/48/31/80/1137483180.db2.gz FTOXADUNCVFCRY-UHFFFAOYSA-N 0 0 338.455 3.601 50 30 EHEARN N#CC1(c2nnc(COc3ccc(Br)cc3)o2)CCCC1 ZINC000952874719 1137483218 /nfs/dbraw/zinc/48/32/18/1137483218.db2.gz PKRYOEKAOJQVJT-UHFFFAOYSA-N 0 0 348.200 3.746 50 30 EHEARN C#CCCC1(CCC(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)N=N1 ZINC000952879634 1137483282 /nfs/dbraw/zinc/48/32/82/1137483282.db2.gz GAKARCQPKXMOFC-AWEZNQCLSA-N 0 0 327.403 3.670 50 30 EHEARN C#CCCC1(CCC(=O)NCc2oc3ccc(F)cc3c2C)N=N1 ZINC000952881597 1137483470 /nfs/dbraw/zinc/48/34/70/1137483470.db2.gz QDKMOCRGFAHDHG-UHFFFAOYSA-N 0 0 327.359 3.852 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000055339149 214308649 /nfs/dbraw/zinc/30/86/49/214308649.db2.gz DQWXNZCSTPPYCH-QGZVFWFLSA-N 0 0 341.798 3.817 50 30 EHEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C ZINC000004683045 210246447 /nfs/dbraw/zinc/24/64/47/210246447.db2.gz JSGVCWDJNUVILL-VTZQMFNYSA-N 0 0 348.458 3.786 50 30 in-vitro EHEARN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 ZINC000056300481 214369641 /nfs/dbraw/zinc/36/96/41/214369641.db2.gz MKMQQXAGWOOUCC-UHFFFAOYSA-N 0 0 337.423 3.523 50 30 EHEARN COc1ccc(/C=C\C(=O)c2c(Cl)nc3sccn32)cc1O ZINC000098056015 219075401 /nfs/dbraw/zinc/07/54/01/219075401.db2.gz MQWAFJHZYCLOFP-RQOWECAXSA-N 0 0 334.784 3.660 50 30 EHEARN C=C(C)CNC(=S)NC1(c2cccc(Br)c2)CCC1 ZINC000060431701 214637554 /nfs/dbraw/zinc/63/75/54/214637554.db2.gz UACPNFVPTJHXLU-UHFFFAOYSA-N 0 0 339.302 3.869 50 30 EHEARN COc1ccc([C@@H]2C/C(=N/O)[C@@H](C)[C@@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000100398677 219098248 /nfs/dbraw/zinc/09/82/48/219098248.db2.gz OYGRPLURZDNYIE-MPRDIEFASA-N 0 0 340.423 3.946 50 30 EHEARN CC1(C)CC(=O)C(=CNCc2ccc(Cl)cc2Cl)C(=O)C1 ZINC000100406509 219098341 /nfs/dbraw/zinc/09/83/41/219098341.db2.gz RAVQTAGGRLYPFN-UHFFFAOYSA-N 0 0 326.223 3.925 50 30 EHEARN CCSc1nc2n(n1)[C@H](c1cccc(C)c1)C1C(=O)CCCC1=N2 ZINC000004436159 210192530 /nfs/dbraw/zinc/19/25/30/210192530.db2.gz OGTFWABWMPHIOQ-MRXNPFEDSA-N 0 0 340.452 3.721 50 30 EHEARN CCC(=NOC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O ZINC000100870290 219110288 /nfs/dbraw/zinc/11/02/88/219110288.db2.gz IOYNQIMAUDJVEI-IBBOPOJVSA-N 0 0 341.835 3.739 50 30 in-vitro EHEARN Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N\O)CC(C)(C)C2 ZINC000100931423 219112006 /nfs/dbraw/zinc/11/20/06/219112006.db2.gz PQSSYXIURLRVKY-JCMHNJIXSA-N 0 0 340.423 3.711 50 30 EHEARN N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccco1 ZINC000004268551 210157390 /nfs/dbraw/zinc/15/73/90/210157390.db2.gz MXRFCLXXSSKTAY-UHFFFAOYSA-N 0 0 329.743 3.984 50 30 EHEARN N#Cc1ccc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)nc1 ZINC000046485345 213801426 /nfs/dbraw/zinc/80/14/26/213801426.db2.gz IRAAIVYGYJTIAZ-SFHVURJKSA-N 0 0 329.407 3.688 50 30 EHEARN CN(c1ccccc1)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O ZINC000004007915 210098826 /nfs/dbraw/zinc/09/88/26/210098826.db2.gz VMLPVLAAQLTDBJ-UHFFFAOYSA-N 0 0 332.403 3.509 50 30 EHEARN Cn1c2ccccc2s/c1=N/N=C/c1ccccc1OC(F)F ZINC000102297807 219193827 /nfs/dbraw/zinc/19/38/27/219193827.db2.gz MBHLSTSCEGZFPX-QZAMUAOBSA-N 0 0 333.363 3.776 50 30 EHEARN Cc1c(C#N)c2ccccc2n1Cc1n[nH]c(CCc2ccccc2)n1 ZINC000067954250 215257693 /nfs/dbraw/zinc/25/76/93/215257693.db2.gz LHFIFXGDIPFHFR-UHFFFAOYSA-N 0 0 341.418 3.773 50 30 EHEARN N#Cc1c(NC(=O)C(=O)c2c[nH]c3ccccc23)sc2c1CCCC2 ZINC000002503403 209859563 /nfs/dbraw/zinc/85/95/63/209859563.db2.gz UCQJLQPDZGJTMB-UHFFFAOYSA-N 0 0 349.415 3.801 50 30 EHEARN N#Cc1c(Cl)nsc1NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000068998166 215351482 /nfs/dbraw/zinc/35/14/82/215351482.db2.gz JTFLHAXNHCLBHE-SNVBAGLBSA-N 0 0 347.749 3.832 50 30 EHEARN C=CCn1c(SCc2noc(-c3cccs3)n2)nnc1C1CC1 ZINC000040474141 213312085 /nfs/dbraw/zinc/31/20/85/213312085.db2.gz ZSGQOHRCKGWPNY-UHFFFAOYSA-N 0 0 345.453 3.745 50 30 EHEARN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc(C#N)c1 ZINC000040108451 213267008 /nfs/dbraw/zinc/26/70/08/213267008.db2.gz VZNCWRMQCXKCJL-GFCCVEGCSA-N 0 0 343.224 3.682 50 30 EHEARN N#CC1(NC(=O)CNc2cc(Cl)ccc2Cl)CCCCC1 ZINC000039972102 213246535 /nfs/dbraw/zinc/24/65/35/213246535.db2.gz YURGLXSLQZFGQV-UHFFFAOYSA-N 0 0 326.227 3.748 50 30 EHEARN N#Cc1cc(Cl)ccc1NCc1cccc(CN2CCCC2=O)c1 ZINC000069632587 215512315 /nfs/dbraw/zinc/51/23/15/215512315.db2.gz QWKJOHVWDRWSHR-UHFFFAOYSA-N 0 0 339.826 3.946 50 30 EHEARN C#CCN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O ZINC000000981605 209697847 /nfs/dbraw/zinc/69/78/47/209697847.db2.gz GJZCXQNJLQUMKG-SFQUDFHCSA-N 0 0 336.416 3.764 50 30 EHEARN C=CCNS(=O)(=O)c1ccc(OCCCCC)c2ccccc21 ZINC000036638827 213106656 /nfs/dbraw/zinc/10/66/56/213106656.db2.gz QPDQSNURCKFCLP-UHFFFAOYSA-N 0 0 333.453 3.873 50 30 EHEARN O=C(/C=C1/C(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000033324306 212926956 /nfs/dbraw/zinc/92/69/56/212926956.db2.gz UEDBOSNZRXYIME-UKTHLTGXSA-N 0 0 328.165 3.668 50 30 EHEARN N#Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000000306531 209526993 /nfs/dbraw/zinc/52/69/93/209526993.db2.gz HOTCADMRRWYXHR-UHFFFAOYSA-N 0 0 341.392 3.588 50 30 EHEARN C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(C#N)cc2F)c1 ZINC000072287156 216119253 /nfs/dbraw/zinc/11/92/53/216119253.db2.gz UUQQQRAPPPBWKV-QFIPXVFZSA-N 0 0 336.819 3.841 50 30 EHEARN Cc1nc(Cc2nnc(SCc3cccc(C#N)c3)o2)cs1 ZINC000024167898 212411584 /nfs/dbraw/zinc/41/15/84/212411584.db2.gz ZQGFYDYJQCMQOY-UHFFFAOYSA-N 0 0 328.422 3.589 50 30 EHEARN CCc1nn(C)c(Cl)c1CN1CCC(C#N)(c2ccccc2)CC1 ZINC000215397645 241123583 /nfs/dbraw/zinc/12/35/83/241123583.db2.gz YCKWJLHBVNFGNC-UHFFFAOYSA-N 0 0 342.874 3.693 50 30 EHEARN Fc1ccc(C/N=C2\C(c3ccc(Cl)cc3)=Nc3ncnn32)cc1 ZINC000021102563 212207001 /nfs/dbraw/zinc/20/70/01/212207001.db2.gz ONHVJIWXJNQDMQ-CAPFRKAQSA-N 0 0 339.761 3.652 50 30 EHEARN CCOc1cc(/C=C(\C(C)=O)n2ccc(C(F)(F)F)n2)ccc1O ZINC000020606088 212153287 /nfs/dbraw/zinc/15/32/87/212153287.db2.gz MPUVMJCWWWINGI-XYOKQWHBSA-N 0 0 340.301 3.593 50 30 EHEARN N#Cc1ccc(CNc2ccccc2I)cc1 ZINC000020360839 212122283 /nfs/dbraw/zinc/12/22/83/212122283.db2.gz CWXYYALVZPEKJX-UHFFFAOYSA-N 0 0 334.160 3.775 50 30 EHEARN COc1cc(C=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000020156235 212107298 /nfs/dbraw/zinc/10/72/98/212107298.db2.gz YPVPKYWJYDVNNW-UHFFFAOYSA-N 0 0 346.180 3.721 50 30 EHEARN N#Cc1cccc(Cn2ccc(-c3cccc(-c4cncnc4)c3)n2)c1 ZINC000020203843 212110497 /nfs/dbraw/zinc/11/04/97/212110497.db2.gz HYMSPGRCGOKMID-UHFFFAOYSA-N 0 0 337.386 3.927 50 30 EHEARN CC(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)C)c1O ZINC000019857253 212076842 /nfs/dbraw/zinc/07/68/42/212076842.db2.gz XAEJKIJGRZXFGO-UHFFFAOYSA-N 0 0 329.488 3.670 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000019314535 212014502 /nfs/dbraw/zinc/01/45/02/212014502.db2.gz OPQOOOJIJUUHDN-QGZVFWFLSA-N 0 0 343.398 3.603 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000079361751 217216299 /nfs/dbraw/zinc/21/62/99/217216299.db2.gz CIXULIMCDUBYLL-HNNXBMFYSA-N 0 0 333.391 3.511 50 30 EHEARN N#Cc1c(COC(=O)COc2cccc(Cl)c2)cn2ccccc12 ZINC000014851588 211768946 /nfs/dbraw/zinc/76/89/46/211768946.db2.gz VWJYDGMBWDDMQH-UHFFFAOYSA-N 0 0 340.766 3.587 50 30 EHEARN CC[C@@]1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=S)c2CO1 ZINC000013658149 211601856 /nfs/dbraw/zinc/60/18/56/211601856.db2.gz REPNPCAXGUGRDF-SFHVURJKSA-N 0 0 325.437 3.902 50 30 EHEARN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000011955729 211274130 /nfs/dbraw/zinc/27/41/30/211274130.db2.gz NAPAPUHAFVBXTF-FQEVSTJZSA-N 0 0 348.437 3.746 50 30 EHEARN C#Cc1cccc(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)c1 ZINC000011840497 211254655 /nfs/dbraw/zinc/25/46/55/211254655.db2.gz NGESUNHZIZWJBJ-UHFFFAOYSA-N 0 0 346.361 3.661 50 30 EHEARN Cc1ccc(N[C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)cc1C ZINC000011821662 211252684 /nfs/dbraw/zinc/25/26/84/211252684.db2.gz LDTVVHINXIKGOL-OAQYLSRUSA-N 0 0 332.447 3.758 50 30 EHEARN N#Cc1ccc(OCCOC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000011028523 211201037 /nfs/dbraw/zinc/20/10/37/211201037.db2.gz LZQFXWYXWLXVHF-UHFFFAOYSA-N 0 0 333.746 3.515 50 30 EHEARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1ccccc1C#N ZINC000009954837 211136766 /nfs/dbraw/zinc/13/67/66/211136766.db2.gz PGYKSFGPMZFUNP-UHFFFAOYSA-N 0 0 348.324 3.614 50 30 EHEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O ZINC000009575509 211103790 /nfs/dbraw/zinc/10/37/90/211103790.db2.gz AUCDXMUTTJRAHW-VQIMKDEXSA-N 0 0 338.359 3.552 50 30 EHEARN Cc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)c(C)c1 ZINC000009453456 211086292 /nfs/dbraw/zinc/08/62/92/211086292.db2.gz KGTSXIIVAJDROI-SFHVURJKSA-N 0 0 336.460 3.979 50 30 EHEARN FC(F)(F)c1ccccc1C=NN1C(=S)N=NC1c1ccccn1 ZINC000009331452 211070023 /nfs/dbraw/zinc/07/00/23/211070023.db2.gz CIMSNHQFNMVMTD-AWQFTUOYSA-N 0 0 349.341 3.530 50 30 EHEARN N#C[C@@H](NC(=O)c1ccnn1C1CCCC1)c1ccc(Cl)cc1 ZINC000095421213 218363096 /nfs/dbraw/zinc/36/30/96/218363096.db2.gz MNKCICAJVHBICK-OAHLLOKOSA-N 0 0 328.803 3.646 50 30 EHEARN Cc1nc([C@H]2CCCCCN2C(=O)Nc2cc(C#N)ccc2C)no1 ZINC000095999605 218504186 /nfs/dbraw/zinc/50/41/86/218504186.db2.gz PGYZWGAIVLIYNR-MRXNPFEDSA-N 0 0 339.399 3.707 50 30 EHEARN Cc1ccc(S(=O)(=O)N/N=C(\CC(C)C)c2ccccc2)cc1 ZINC000006275399 210610999 /nfs/dbraw/zinc/61/09/99/210610999.db2.gz ILQMAXCYOJFRNI-VHEBQXMUSA-N 0 0 330.453 3.724 50 30 EHEARN O=C(/C=C\C1=Cc2ccccc2OC1)c1cccc(N2CCOC2=O)c1 ZINC000096298184 218740696 /nfs/dbraw/zinc/74/06/96/218740696.db2.gz QLDMEKATYCYQIQ-HJWRWDBZSA-N 0 0 347.370 3.858 50 30 EHEARN CCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)sc1C ZINC000005788984 210537153 /nfs/dbraw/zinc/53/71/53/210537153.db2.gz DYEHDHFDZBVDMD-NSHDSACASA-N 0 0 342.420 3.675 50 30 EHEARN Cc1cc(Sc2nnc(NCc3ccco3)s2)c(C#N)c(C)n1 ZINC000096476252 218853218 /nfs/dbraw/zinc/85/32/18/218853218.db2.gz XCMKIHCKOHTBFW-UHFFFAOYSA-N 0 0 343.437 3.778 50 30 EHEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000005129321 210397240 /nfs/dbraw/zinc/39/72/40/210397240.db2.gz QAJWRMHKKTVHNT-NYYWCZLTSA-N 0 0 332.302 3.971 50 30 EHEARN O=C1CCCCC1=CNc1ccc([N+](=O)[O-])cc1Br ZINC000004981795 210348309 /nfs/dbraw/zinc/34/83/09/210348309.db2.gz ZAENLSFBPQQRJF-CMDGGOBGSA-N 0 0 325.162 3.796 50 30 EHEARN CC[C@@H](CC#N)NC(=O)Nc1c(C)cc(Br)cc1OC ZINC000097163270 218979903 /nfs/dbraw/zinc/97/99/03/218979903.db2.gz PECALRWHVRFCGK-NSHDSACASA-N 0 0 340.221 3.580 50 30 EHEARN C=CCOc1ccc(-c2nn3c(nnc3-c3ccoc3C)s2)cc1 ZINC000004939122 210330295 /nfs/dbraw/zinc/33/02/95/210330295.db2.gz QCKJPAHDDISTSF-UHFFFAOYSA-N 0 0 338.392 3.986 50 30 EHEARN Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1cccs1 ZINC000004934027 210328493 /nfs/dbraw/zinc/32/84/93/210328493.db2.gz NCUVUOHCFBNBKV-NEQJIUGGSA-N 0 0 343.477 3.911 50 30 EHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccs2)C1=O ZINC000004873346 210310303 /nfs/dbraw/zinc/31/03/03/210310303.db2.gz FAZZXSWJGOPPNU-RAXLEYEMSA-N 0 0 343.429 3.902 50 30 EHEARN O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000004913023 210320555 /nfs/dbraw/zinc/32/05/55/210320555.db2.gz GPQWUKQIAKUCSJ-SFHVURJKSA-N 0 0 347.414 3.876 50 30 EHEARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2cccs2)C1=O ZINC000004819779 210286089 /nfs/dbraw/zinc/28/60/89/210286089.db2.gz GWPVUQMLNPLTRX-XNTDXEJSSA-N 0 0 343.379 3.764 50 30 EHEARN CC(=NNc1nc2ccccc2n2cnnc12)c1ccc(Cl)cc1 ZINC000004793172 210278568 /nfs/dbraw/zinc/27/85/68/210278568.db2.gz GUMPGLYAVPQKKH-SRZZPIQSSA-N 0 0 336.786 3.767 50 30 EHEARN COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc2c(c1)CCO2 ZINC000096939729 257839472 /nfs/dbraw/zinc/83/94/72/257839472.db2.gz QOCXDZAYSXTXLX-XQRVVYSFSA-N 0 0 340.375 3.543 50 30 EHEARN Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000328595856 258042408 /nfs/dbraw/zinc/04/24/08/258042408.db2.gz GZUSDTUNUWZGGY-CQSZACIVSA-N 0 0 344.440 3.763 50 30 EHEARN COc1cc(C#N)ccc1OCC(=O)c1cccc(Br)c1 ZINC000004494112 257975651 /nfs/dbraw/zinc/97/56/51/257975651.db2.gz ZSCJQDZWKLDQCD-UHFFFAOYSA-N 0 0 346.180 3.591 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000408513670 257984579 /nfs/dbraw/zinc/98/45/79/257984579.db2.gz MJAIYGOCCYLIMS-LEWJYISDSA-N 0 0 341.414 3.748 50 30 EHEARN CC(=O)NCC(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC000330032093 258002184 /nfs/dbraw/zinc/00/21/84/258002184.db2.gz IBFOBRFHUSXCTM-UHFFFAOYSA-N 0 0 342.786 3.798 50 30 EHEARN CSc1cccc(F)c1C(=O)NCCOc1ccc(C#N)cc1 ZINC000330032840 258002450 /nfs/dbraw/zinc/00/24/50/258002450.db2.gz SFXFQPXYVSLKGD-UHFFFAOYSA-N 0 0 330.384 3.803 50 30 EHEARN Cc1cc([C@@H](C)NC(=O)c2cc(C)[nH]c(=O)c2[N+](=O)[O-])c(C)s1 ZINC000330032626 258003006 /nfs/dbraw/zinc/00/30/06/258003006.db2.gz PZMCXYCBYSTJEN-SECBINFHSA-N 0 0 335.385 3.748 50 30 EHEARN Cc1nnccc1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000330031868 258003045 /nfs/dbraw/zinc/00/30/45/258003045.db2.gz FGMCWTDDAZAAHB-UHFFFAOYSA-N 0 0 347.300 3.626 50 30 EHEARN Cc1oc(C#N)cc1C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000280822348 258013527 /nfs/dbraw/zinc/01/35/27/258013527.db2.gz NMEDLUGKOOOBIL-DIFFPNOSSA-N 0 0 344.798 3.715 50 30 EHEARN C=CCOc1ccc(C=C2SC(Nc3cccnc3)=NC2=O)cc1 ZINC000013121985 258017514 /nfs/dbraw/zinc/01/75/14/258017514.db2.gz ACUYNBKYLPUVPS-WJDWOHSUSA-N 0 0 337.404 3.729 50 30 EHEARN C=CCn1c(SCc2ccccn2)nnc1-c1ccc(OC)cc1 ZINC000009112650 258017999 /nfs/dbraw/zinc/01/79/99/258017999.db2.gz MILAPGJVUKLSJX-UHFFFAOYSA-N 0 0 338.436 3.827 50 30 EHEARN C=CCOc1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000008037728 258018021 /nfs/dbraw/zinc/01/80/21/258018021.db2.gz WBSFJZQAUNDOCN-QGZVFWFLSA-N 0 0 338.451 3.561 50 30 EHEARN CCc1cc(Sc2nnc(C)n2C)n2c3ccccc3nc2c1C#N ZINC000007132045 258052781 /nfs/dbraw/zinc/05/27/81/258052781.db2.gz FPCWMHFVTDKZNE-UHFFFAOYSA-N 0 0 348.435 3.510 50 30 EHEARN C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000095410867 258066897 /nfs/dbraw/zinc/06/68/97/258066897.db2.gz USURSMCKCMEPBB-CQSZACIVSA-N 0 0 334.379 3.826 50 30 EHEARN Cc1ccccc1-c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 ZINC000000467598 135651162 /nfs/dbraw/zinc/65/11/62/135651162.db2.gz GZILOJCBYCYQJS-UHFFFAOYSA-N 0 0 344.418 3.848 50 30 EHEARN CC(=O)c1ccccc1C=CC=NN1CCN(Cc2ccccc2)CC1 ZINC000025559300 518463302 /nfs/dbraw/zinc/46/33/02/518463302.db2.gz XBKHMDSDRSQHTF-QVQOGBIZSA-N 0 0 347.462 3.706 50 30 EHEARN C=CCNc1nn2c(nnc2C(F)(F)C(F)(F)F)c2ccccc21 ZINC000015202352 518966366 /nfs/dbraw/zinc/96/63/66/518966366.db2.gz KYQORUYAORBBIG-UHFFFAOYSA-N 0 0 343.259 3.530 50 30 EHEARN C=CCOc1ccccc1/C=N/NC(=S)Nc1cccc(C)c1 ZINC000004231447 519065865 /nfs/dbraw/zinc/06/58/65/519065865.db2.gz AEEQFUHWMALFAI-CPNJWEJPSA-N 0 0 325.437 3.880 50 30 EHEARN C=CCc1ccc(OCC(=O)N[C@@H]2CCc3ccccc32)c(OC)c1 ZINC000012901597 519133938 /nfs/dbraw/zinc/13/39/38/519133938.db2.gz ZEAOOJXDOCPNQY-GOSISDBHSA-N 0 0 337.419 3.606 50 30 EHEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccco1 ZINC000000531710 519231664 /nfs/dbraw/zinc/23/16/64/519231664.db2.gz KFFXZMORRCYUKP-UHFFFAOYSA-N 0 0 343.383 3.838 50 30 EHEARN C=CCn1cnnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000001429262 519285379 /nfs/dbraw/zinc/28/53/79/519285379.db2.gz NDOFODPNTLKTAU-UHFFFAOYSA-N 0 0 343.239 3.502 50 30 EHEARN CC#CC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011817245 519330843 /nfs/dbraw/zinc/33/08/43/519330843.db2.gz ARTWVWUGPYGYIH-GOSISDBHSA-N 0 0 347.414 3.924 50 30 EHEARN CCCCCCCCCCCCS[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000017595980 520013853 /nfs/dbraw/zinc/01/38/53/520013853.db2.gz AGKMSAQHASAIOF-HOTGVXAUSA-N 0 0 336.563 3.798 50 30 EHEARN CCOc1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000860512 521032536 /nfs/dbraw/zinc/03/25/36/521032536.db2.gz HNFJVIPPGWJMGX-VAWYXSNFSA-N 0 0 327.380 3.911 50 30 EHEARN COC(=O)c1ccc2c(c1)C(C)(C)/C(=C/C=C1C=CC(=O)C=C1)N2C ZINC000334158669 522181619 /nfs/dbraw/zinc/18/16/19/522181619.db2.gz BPEBAMZYTIXEKH-UNOMPAQXSA-N 0 0 335.403 3.706 50 30 EHEARN COc1ccc(/C(CCC/C(=N/O)c2ccc(OC)cc2)=N/O)cc1 ZINC000004837655 523366341 /nfs/dbraw/zinc/36/63/41/523366341.db2.gz BNGVHYMBAOYFIV-ZVDLMZJTSA-N 0 0 342.395 3.931 50 30 EHEARN Cc1ccc(C)c(C(=O)ONC(=N)c2ccc(Br)cc2)c1 ZINC000018172998 524088263 /nfs/dbraw/zinc/08/82/63/524088263.db2.gz KDFDQQZTQJHHPU-UHFFFAOYSA-N 0 0 347.212 3.543 50 30 EHEARN COc1ccccc1Oc1ccc(CNC(=O)C2(C#N)CCC2)cc1 ZINC000096412023 524696725 /nfs/dbraw/zinc/69/67/25/524696725.db2.gz AOUSWJYMGVDHRN-UHFFFAOYSA-N 0 0 336.391 3.798 50 30 EHEARN Cc1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)s1 ZINC000096295254 525962438 /nfs/dbraw/zinc/96/24/38/525962438.db2.gz VYOOVBLGBPVMRK-HJWRWDBZSA-N 0 0 327.449 3.914 50 30 EHEARN N=C(NOC(=O)Cc1cccc2ccccc21)c1ccccc1Cl ZINC000004689287 526807955 /nfs/dbraw/zinc/80/79/55/526807955.db2.gz ZIGHUORKKBTGBI-UHFFFAOYSA-N 0 0 338.794 3.899 50 30 EHEARN CC/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1 ZINC000013282606 535222827 /nfs/dbraw/zinc/22/28/27/535222827.db2.gz LHNOSZACJGUTKL-XUTLUUPISA-N 0 0 343.858 3.982 50 30 EHEARN CCOc1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000135744 563240499 /nfs/dbraw/zinc/24/04/99/563240499.db2.gz QEXPTQIKDGWUNB-RCCKNPSSSA-N 0 0 343.858 3.895 50 30 EHEARN COc1ccccc1N1CCN(/N=C/c2ccc(C(C)C)cc2)CC1 ZINC000000230047 563263427 /nfs/dbraw/zinc/26/34/27/563263427.db2.gz SXDBRPFUMPQUFA-CJLVFECKSA-N 0 0 337.467 3.975 50 30 EHEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N1C(=O)CCSC1=N2 ZINC000000351514 563289762 /nfs/dbraw/zinc/28/97/62/563289762.db2.gz FHMDGAHIAMZTQB-MRXNPFEDSA-N 0 0 346.839 3.723 50 30 EHEARN Cc1ccc(NN=C(C#N)C(=O)c2ccc(Br)cc2)cc1 ZINC000000353260 563290531 /nfs/dbraw/zinc/29/05/31/563290531.db2.gz VQUJAWRWLLHWEW-HKWRFOASSA-N 0 0 342.196 3.932 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000000443540 563315371 /nfs/dbraw/zinc/31/53/71/563315371.db2.gz YDDLWSJDGWGVCZ-QGZVFWFLSA-N 0 0 325.339 3.623 50 30 EHEARN O=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2)cc1)N1CCCC1 ZINC000000588082 563352164 /nfs/dbraw/zinc/35/21/64/563352164.db2.gz HEIKYKSNKMQEHI-CPNJWEJPSA-N 0 0 348.855 3.875 50 30 EHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000001258814 563381734 /nfs/dbraw/zinc/38/17/34/563381734.db2.gz YYMRKUPBZVGCSY-ZDLGFXPLSA-N 0 0 344.827 3.778 50 30 EHEARN N#CC(C#N)(Cc1ccc(Cl)cc1Cl)c1ncccc1[N+](=O)[O-] ZINC000001401846 563387439 /nfs/dbraw/zinc/38/74/39/563387439.db2.gz AQYBXIQQNHJXCT-UHFFFAOYSA-N 0 0 347.161 3.824 50 30 EHEARN N#C[C@H](NC(=O)CCc1cscn1)c1ccc(Cl)c(Cl)c1 ZINC000071890195 563421328 /nfs/dbraw/zinc/42/13/28/563421328.db2.gz RNWUOMUARIOONI-ZDUSSCGKSA-N 0 0 340.235 3.764 50 30 EHEARN N#CCCN(CCC#N)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000003161745 563474821 /nfs/dbraw/zinc/47/48/21/563474821.db2.gz GEZPVZGWFVBCMQ-UHFFFAOYSA-N 0 0 326.347 3.532 50 30 EHEARN CC(=O)[C@]12O[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004731211 563509217 /nfs/dbraw/zinc/50/92/17/563509217.db2.gz UQVIXFCYKBWZPJ-OKXBOQJJSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN CC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccccc1 ZINC000002766648 563613841 /nfs/dbraw/zinc/61/38/41/563613841.db2.gz QRUPUASPVGOUPU-LJQANCHMSA-N 0 0 348.427 3.673 50 30 EHEARN COC(=O)c1cccc(CSc2nc(C3CC3)nc(C)c2C#N)c1 ZINC000032770783 563730600 /nfs/dbraw/zinc/73/06/00/563730600.db2.gz FAHBHVCQCOBFEK-UHFFFAOYSA-N 0 0 339.420 3.613 50 30 EHEARN CCOC(=O)CSCC(=NNc1ccccc1)c1cccs1 ZINC000004492472 563733903 /nfs/dbraw/zinc/73/39/03/563733903.db2.gz WSMLNIBOCRHDPO-JXAWBTAJSA-N 0 0 334.466 3.861 50 30 EHEARN Cc1cccc(C)c1NC1=NC(=S)N(CC#N)C12CCC(C)CC2 ZINC000017186333 563839917 /nfs/dbraw/zinc/83/99/17/563839917.db2.gz TTWPRNYCZGTSHJ-UHFFFAOYSA-N 0 0 340.496 3.996 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)C1 ZINC000018180566 563850653 /nfs/dbraw/zinc/85/06/53/563850653.db2.gz IYKXYTJBFRZQJF-HNNXBMFYSA-N 0 0 328.803 3.590 50 30 EHEARN Cc1cc(SC(C)(C)C)ccc1NS(=O)(=O)CCCC#N ZINC000072287862 563907897 /nfs/dbraw/zinc/90/78/97/563907897.db2.gz WMHOELHAUBOCCN-UHFFFAOYSA-N 0 0 326.487 3.931 50 30 EHEARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c1OC ZINC000013689705 563931773 /nfs/dbraw/zinc/93/17/73/563931773.db2.gz GAVPVKWVYVQVTQ-MRXNPFEDSA-N 0 0 340.379 3.565 50 30 EHEARN N#Cc1c(N)nc(-c2cnn(-c3ccccc3)c2)cc1-c1ccoc1 ZINC000071551659 563936070 /nfs/dbraw/zinc/93/60/70/563936070.db2.gz QIFNOSJFHZRKBK-UHFFFAOYSA-N 0 0 327.347 3.648 50 30 EHEARN N#CCSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1 ZINC000058159319 563938291 /nfs/dbraw/zinc/93/82/91/563938291.db2.gz OQWITXMPTPGUCE-UHFFFAOYSA-N 0 0 334.404 3.740 50 30 EHEARN C[C@H](CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000058267080 563941234 /nfs/dbraw/zinc/94/12/34/563941234.db2.gz MSZGCAHNEVJMDJ-CJNGLKHVSA-N 0 0 340.402 3.514 50 30 EHEARN COc1ccccc1C(N)=NOCc1csc(-c2ccc(C)o2)n1 ZINC000058365879 563943868 /nfs/dbraw/zinc/94/38/68/563943868.db2.gz BVEYPDDPFNFMPK-UHFFFAOYSA-N 0 0 343.408 3.557 50 30 EHEARN COc1ccc(-c2c(C)c(-c3ccc(C)o3)nc(N)c2C#N)cc1O ZINC000071589747 563949886 /nfs/dbraw/zinc/94/98/86/563949886.db2.gz DQZURXJCTUKQOC-UHFFFAOYSA-N 0 0 335.363 3.794 50 30 EHEARN COc1c(Cl)cccc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000096461479 563954073 /nfs/dbraw/zinc/95/40/73/563954073.db2.gz CUXVFUOVLRKIMH-UHFFFAOYSA-N 0 0 344.802 3.691 50 30 EHEARN C#CCOc1ccc(C(=O)Nc2ccccc2NC(=O)CCC)cc1 ZINC000008570499 563974250 /nfs/dbraw/zinc/97/42/50/563974250.db2.gz MTEXRPGPCICKNN-UHFFFAOYSA-N 0 0 336.391 3.690 50 30 EHEARN Cc1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1-n1cccc1 ZINC000014490721 563984257 /nfs/dbraw/zinc/98/42/57/563984257.db2.gz GFJQZBVLIIOUDA-UHFFFAOYSA-N 0 0 331.375 3.940 50 30 EHEARN C/N=C1\S/C(=C\c2cc(Cl)cc(Cl)c2OC)C(=O)N1C ZINC000100288490 563992079 /nfs/dbraw/zinc/99/20/79/563992079.db2.gz YDUSZWJBDLGIRD-MVBCBTCESA-N 0 0 331.224 3.534 50 30 EHEARN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)o1 ZINC000329415737 563996200 /nfs/dbraw/zinc/99/62/00/563996200.db2.gz FLPUHTBAJAOGJW-DTWKUNHWSA-N 0 0 342.321 3.548 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000000428051 563998833 /nfs/dbraw/zinc/99/88/33/563998833.db2.gz CJDRESMJUOCQEV-QFBILLFUSA-N 0 0 340.375 3.608 50 30 EHEARN Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)c(C#N)c(C)c1C ZINC000005172646 563999905 /nfs/dbraw/zinc/99/99/05/563999905.db2.gz GGMSYNGLEOYOEQ-HNNXBMFYSA-N 0 0 339.464 3.848 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000005518360 564004892 /nfs/dbraw/zinc/00/48/92/564004892.db2.gz AHSPYOXMCJUKPY-QGZVFWFLSA-N 0 0 335.334 3.663 50 30 EHEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCCC3)sc2C1 ZINC000002487576 564017686 /nfs/dbraw/zinc/01/76/86/564017686.db2.gz LOMIKQNMGVLLCU-ZDUSSCGKSA-N 0 0 345.512 3.805 50 30 EHEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1O ZINC000018130444 564018331 /nfs/dbraw/zinc/01/83/31/564018331.db2.gz GBMPYCLZAXOVNI-LFIBNONCSA-N 0 0 340.404 3.683 50 30 EHEARN O=c1[nH][nH]c2c1[C@H](c1ccccc1C(F)(F)F)C1=C(CCCC1=O)N2 ZINC000018195841 564018653 /nfs/dbraw/zinc/01/86/53/564018653.db2.gz GOIAUFJSZXLWNC-GFCCVEGCSA-N 0 0 349.312 3.699 50 30 EHEARN COc1cccc(C(=O)C=C(O)C(=O)Nc2cccc(C)c2C)c1 ZINC000101355533 564019390 /nfs/dbraw/zinc/01/93/90/564019390.db2.gz VLYPSUIRUDSZLS-WQRHYEAKSA-N 0 0 325.364 3.575 50 30 EHEARN CC(C)c1ccc(C2=Nc3ncnn3/C2=N/Cc2ccccc2)cc1 ZINC000102402089 564019980 /nfs/dbraw/zinc/01/99/80/564019980.db2.gz ZMDBTUCEFKOKHO-XUTLUUPISA-N 0 0 329.407 3.983 50 30 EHEARN N#C[C@@H]1C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12 ZINC000000522521 564021103 /nfs/dbraw/zinc/02/11/03/564021103.db2.gz NNPCLIFHNIPTRX-KFKAGJAMSA-N 0 0 345.358 3.592 50 30 EHEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1Cl ZINC000000545808 564022692 /nfs/dbraw/zinc/02/26/92/564022692.db2.gz UTLHXQJSJRERNM-UDWIEESQSA-N 0 0 325.799 3.885 50 30 EHEARN Cc1nc(CSCCC(=O)Nc2cccc(OCC#N)c2)cs1 ZINC000044955426 564027871 /nfs/dbraw/zinc/02/78/71/564027871.db2.gz UVZYSNDLRFEVSE-UHFFFAOYSA-N 0 0 347.465 3.616 50 30 EHEARN Cc1cc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)no1 ZINC000008054007 564034706 /nfs/dbraw/zinc/03/47/06/564034706.db2.gz OVJCTODYTZKHLJ-UHFFFAOYSA-N 0 0 332.359 3.853 50 30 EHEARN CCOc1cccc2c1OCC(C(=O)O[C@H](C#N)C1CCCCC1)=C2 ZINC000225550469 564047731 /nfs/dbraw/zinc/04/77/31/564047731.db2.gz DLWXNDLKGSWDLX-GOSISDBHSA-N 0 0 341.407 3.877 50 30 EHEARN CCc1ccc(NC(=O)COc2c(Cl)cc(C#N)cc2OC)cc1 ZINC000025217181 564053799 /nfs/dbraw/zinc/05/37/99/564053799.db2.gz IXOMLLGTWVUWHL-UHFFFAOYSA-N 0 0 344.798 3.800 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000257357864 564055973 /nfs/dbraw/zinc/05/59/73/564055973.db2.gz QLULPRPVLIPVFS-GJYUYKCOSA-N 0 0 332.484 3.727 50 30 EHEARN CCOC(=O)c1sc2ncnc(Oc3ccccc3C#N)c2c1C ZINC000015209860 564056043 /nfs/dbraw/zinc/05/60/43/564056043.db2.gz XYJFZLKXTFEYEQ-UHFFFAOYSA-N 0 0 339.376 3.840 50 30 EHEARN O=C(C1=C(O)C(=O)N[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005818989 564056106 /nfs/dbraw/zinc/05/61/06/564056106.db2.gz FQJFCHMOYCLXOF-CQSZACIVSA-N 0 0 348.185 3.859 50 30 EHEARN CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(C#N)cc2)cc1 ZINC000005868307 564056775 /nfs/dbraw/zinc/05/67/75/564056775.db2.gz MYCMMCWLVGRYIZ-UHFFFAOYSA-N 0 0 336.391 3.805 50 30 EHEARN CCc1nc2cc(N[C@H](C(=O)OC)c3cccc(C#N)c3)ccc2o1 ZINC000083030516 564060498 /nfs/dbraw/zinc/06/04/98/564060498.db2.gz WNBOKQOLPCBEOD-SFHVURJKSA-N 0 0 335.363 3.588 50 30 EHEARN C=CC[C@@H](NC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccncc1 ZINC000072285360 564063781 /nfs/dbraw/zinc/06/37/81/564063781.db2.gz XVVRALZMLOREIQ-CQSZACIVSA-N 0 0 348.349 3.739 50 30 EHEARN C#CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000058407076 564065265 /nfs/dbraw/zinc/06/52/65/564065265.db2.gz HVMNYILMBOERPN-SFHVURJKSA-N 0 0 335.363 3.749 50 30 EHEARN N#Cc1cccc(NC(=O)NCCc2nc3cc(F)ccc3s2)c1 ZINC000084374451 564067970 /nfs/dbraw/zinc/06/79/70/564067970.db2.gz BMPCXZFFFZZOCC-UHFFFAOYSA-N 0 0 340.383 3.671 50 30 EHEARN C=CCc1cccc2cc(C(=O)Nc3ccc(OC)cc3)c(=O)oc21 ZINC000000076939 564074463 /nfs/dbraw/zinc/07/44/63/564074463.db2.gz QFGCAJQQDGQEGO-UHFFFAOYSA-N 0 0 335.359 3.782 50 30 EHEARN O=C1c2ccccc2C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C1Cl ZINC000000118926 564075134 /nfs/dbraw/zinc/07/51/34/564075134.db2.gz BTTSBROSCNLVBK-UHFFFAOYSA-N 0 0 328.711 3.536 50 30 EHEARN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cc(C)oc2C)cc1 ZINC000075126939 564080356 /nfs/dbraw/zinc/08/03/56/564080356.db2.gz DVQUSRBSSHOXOJ-ZDUSSCGKSA-N 0 0 341.411 3.946 50 30 EHEARN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cl)c2)cc1 ZINC000191374747 564085790 /nfs/dbraw/zinc/08/57/90/564085790.db2.gz UUEADNBTRORXQZ-CYBMUJFWSA-N 0 0 332.812 3.925 50 30 EHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000013006992 564086432 /nfs/dbraw/zinc/08/64/32/564086432.db2.gz TXRGKNMYBYHZAH-UHFFFAOYSA-N 0 0 333.387 3.612 50 30 EHEARN C=CCOc1ccc(S(=O)(=O)c2ccc(OCC=C)cc2)cc1 ZINC000001760475 564087348 /nfs/dbraw/zinc/08/73/48/564087348.db2.gz JUNVYDTYJZSTKY-UHFFFAOYSA-N 0 0 330.405 3.649 50 30 EHEARN Cc1cc(C=NO)c(C)n1-c1ccc(I)cc1 ZINC000244884349 564088617 /nfs/dbraw/zinc/08/86/17/564088617.db2.gz YKTLVLOEGQIJAE-UHFFFAOYSA-N 0 0 340.164 3.507 50 30 EHEARN CCc1nc2n(n1)CCC[C@H]2Nc1ccc(C(F)(F)F)cc1C#N ZINC000089295938 564089468 /nfs/dbraw/zinc/08/94/68/564089468.db2.gz JKRPHXYDVLZAFJ-CYBMUJFWSA-N 0 0 335.333 3.678 50 30 EHEARN N#CCSCC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000192074506 564090018 /nfs/dbraw/zinc/09/00/18/564090018.db2.gz PBYFHBFGQNEUOT-UHFFFAOYSA-N 0 0 348.777 3.721 50 30 EHEARN C=CCc1ccccc1Oc1nc2ccccc2nc1N1CCOCC1 ZINC000064438547 564091327 /nfs/dbraw/zinc/09/13/27/564091327.db2.gz HVKYKTLMRJXUKH-UHFFFAOYSA-N 0 0 347.418 3.987 50 30 EHEARN N#Cc1ccc(NCC(=O)Nc2cccc(N3CCCCC3)c2)cc1 ZINC000064739547 564095778 /nfs/dbraw/zinc/09/57/78/564095778.db2.gz LPTXRGGULXJVOO-UHFFFAOYSA-N 0 0 334.423 3.599 50 30 EHEARN C=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000006904941 564101128 /nfs/dbraw/zinc/10/11/28/564101128.db2.gz XSLHJVQETINNEV-UHFFFAOYSA-N 0 0 348.355 3.504 50 30 EHEARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007027823 564103233 /nfs/dbraw/zinc/10/32/33/564103233.db2.gz ARUDVLJBFGENNR-LBPRGKRZSA-N 0 0 339.420 3.636 50 30 EHEARN C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000007222562 564105896 /nfs/dbraw/zinc/10/58/96/564105896.db2.gz XPUHJLSBVITUPX-LLVKDONJSA-N 0 0 344.212 3.760 50 30 EHEARN CCn1nc(C)c(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)c1C ZINC000065606701 564108180 /nfs/dbraw/zinc/10/81/80/564108180.db2.gz OGHCVQMMDNGKKK-ZHACJKMWSA-N 0 0 332.407 3.873 50 30 EHEARN Fc1ccccc1C1N=NC(=S)N1N=Cc1c[nH]c2ccccc12 ZINC000006000053 564113018 /nfs/dbraw/zinc/11/30/18/564113018.db2.gz IXOTZSGJEWBTNQ-KEBDBYFISA-N 0 0 337.383 3.736 50 30 EHEARN COc1ccc(CCNc2oc(Cc3ccccc3)nc2C#N)cc1 ZINC000016750595 564113033 /nfs/dbraw/zinc/11/30/33/564113033.db2.gz CXIJDTOBMWYWQG-UHFFFAOYSA-N 0 0 333.391 3.800 50 30 EHEARN N#Cc1cccc(-c2nnc(Cn3ccc(-c4ccsc4)n3)o2)c1 ZINC000076062562 564115196 /nfs/dbraw/zinc/11/51/96/564115196.db2.gz CEIVXONHUHCHQB-UHFFFAOYSA-N 0 0 333.376 3.582 50 30 EHEARN S=C(NCc1ccccc1)NN=C1CCSc2ccccc21 ZINC000252474332 564118940 /nfs/dbraw/zinc/11/89/40/564118940.db2.gz BCHXTSXEQPENAP-UHFFFAOYSA-N 0 0 327.478 3.551 50 30 EHEARN Cc1ccc(C(=O)N2CCSCC2)cc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000252481736 564119174 /nfs/dbraw/zinc/11/91/74/564119174.db2.gz CRBIPZNEMHRZGR-NVXWUHKLSA-N 0 0 343.496 3.678 50 30 EHEARN COc1ccc(CNc2nnc(S[C@@H](C)CCC#N)s2)cc1 ZINC000252490618 564119475 /nfs/dbraw/zinc/11/94/75/564119475.db2.gz KXXWRIVNSPCXND-NSHDSACASA-N 0 0 334.470 3.943 50 30 EHEARN N#Cc1ccc(N=c2oc3ccc4ccccc4c3cc2C(N)=O)cc1 ZINC000252506382 564119945 /nfs/dbraw/zinc/11/99/45/564119945.db2.gz RPQXAUPIPZUXKO-UHFFFAOYSA-N 0 0 339.354 3.789 50 30 EHEARN CCOC(=O)C(C#N)=NNc1ccc2c(c1)c1ccccc1n2CC ZINC000252618403 564122225 /nfs/dbraw/zinc/12/22/25/564122225.db2.gz LFWQDJQRKIVBFN-UHFFFAOYSA-N 0 0 334.379 3.669 50 30 EHEARN Cc1csc(CC(N)=NOCc2csc(-c3ccc(C)o3)n2)n1 ZINC000065947924 564122459 /nfs/dbraw/zinc/12/24/59/564122459.db2.gz WESUEEGPJHLYCR-UHFFFAOYSA-N 0 0 348.453 3.508 50 30 EHEARN COc1cc(C=Nc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])cc1OC ZINC000252638754 564124596 /nfs/dbraw/zinc/12/45/96/564124596.db2.gz YFVJWSCLWWMXSK-UHFFFAOYSA-N 0 0 345.311 3.579 50 30 EHEARN Cc1ccccc1C=NN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000252639015 564124615 /nfs/dbraw/zinc/12/46/15/564124615.db2.gz YHHQKDKCYMZUSP-UHFFFAOYSA-N 0 0 340.382 3.877 50 30 EHEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]5O[C@@]5(O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253500045 564132824 /nfs/dbraw/zinc/13/28/24/564132824.db2.gz VDWPXFJLZWNCAR-QAQJGFNQSA-N 0 0 346.467 3.578 50 30 biogenic EHEARN Cc1ccc([C@H]2Cc3c(C#N)sc([S@](C)=O)c3C(=O)C2)cc1 ZINC000000125762 564132837 /nfs/dbraw/zinc/13/28/37/564132837.db2.gz HHIOQMNISFTYFQ-AMXDTQDGSA-N 0 0 329.446 3.578 50 30 EHEARN CCOc1ccc(C=NO[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000254339425 564134051 /nfs/dbraw/zinc/13/40/51/564134051.db2.gz BIVGVJKEXZWCDK-OAHLLOKOSA-N 0 0 326.396 3.771 50 30 EHEARN N#Cc1ccnc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1 ZINC000067756509 564134896 /nfs/dbraw/zinc/13/48/96/564134896.db2.gz RDHXXEHEPGMJQM-MRXNPFEDSA-N 0 0 347.397 3.866 50 30 EHEARN COCC[C@@H]1CCCCN1C(=O)c1cccc(-c2ncccc2C#N)c1 ZINC000426424411 564135017 /nfs/dbraw/zinc/13/50/17/564135017.db2.gz WJAAMQWCTSRSFN-IBGZPJMESA-N 0 0 349.434 3.651 50 30 EHEARN N#Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012577092 564135304 /nfs/dbraw/zinc/13/53/04/564135304.db2.gz WBGAWSMVHFSMJO-CVTTXWKISA-N 0 0 342.402 3.811 50 30 EHEARN Cc1nc([C@@H]2CCCN2C(=O)Nc2cnc(C)nc2C2CC2)cs1 ZINC000328587532 564136556 /nfs/dbraw/zinc/13/65/56/564136556.db2.gz AFDSWCWUTGGHRG-HNNXBMFYSA-N 0 0 343.456 3.810 50 30 EHEARN CN(CC(=O)N[C@@H]1CCOC(C)(C)C1)c1nc2ccccc2s1 ZINC000328589700 564136647 /nfs/dbraw/zinc/13/66/47/564136647.db2.gz ILDPDVWIAXGEIB-GFCCVEGCSA-N 0 0 333.457 3.647 50 30 EHEARN O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1CCCS(=O)(=O)C1 ZINC000328592643 564136770 /nfs/dbraw/zinc/13/67/70/564136770.db2.gz RPMTUYUXPYVSJM-CQSZACIVSA-N 0 0 345.420 3.892 50 30 EHEARN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cc(F)c(C#N)cc1F ZINC000095502741 564141605 /nfs/dbraw/zinc/14/16/05/564141605.db2.gz DTFIJIDDRMSLQG-UHFFFAOYSA-N 0 0 347.369 3.521 50 30 EHEARN C=CC[C@@H](CC)NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000281146612 564142171 /nfs/dbraw/zinc/14/21/71/564142171.db2.gz AVOKEKDGVXWXBD-CQSZACIVSA-N 0 0 336.863 3.688 50 30 EHEARN C#CCn1cc(CN(C)C(=O)Nc2ccc3ccn(CCC)c3c2)cn1 ZINC000096476181 564148401 /nfs/dbraw/zinc/14/84/01/564148401.db2.gz MDBOJQBVSSLVOJ-UHFFFAOYSA-N 0 0 349.438 3.545 50 30 EHEARN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccccn1 ZINC000230101402 564154507 /nfs/dbraw/zinc/15/45/07/564154507.db2.gz WPFTXERAYGFMQS-ZNMIVQPWSA-N 0 0 341.208 3.824 50 30 EHEARN Cc1nc(-c2ccccc2)sc1CSc1ncc(C#N)c(N)n1 ZINC000058295141 564158411 /nfs/dbraw/zinc/15/84/11/564158411.db2.gz VSWZYHQANAGNTP-UHFFFAOYSA-N 0 0 339.449 3.655 50 30 EHEARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccc(C#N)c1 ZINC000058328210 564158622 /nfs/dbraw/zinc/15/86/22/564158622.db2.gz XFOWULMKDPBWTI-UHFFFAOYSA-N 0 0 345.402 3.918 50 30 EHEARN Cc1nn(C)c(C)c1C=NN=C(C(=O)c1ccccc1)c1ccccc1 ZINC000245284275 564168941 /nfs/dbraw/zinc/16/89/41/564168941.db2.gz REDVKSRXRKSXII-UHFFFAOYSA-N 0 0 344.418 3.743 50 30 EHEARN Cc1nn(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)c(C)c1Cl ZINC000069568025 564170541 /nfs/dbraw/zinc/17/05/41/564170541.db2.gz RPSHCIDUVBMLJE-LLVKDONJSA-N 0 0 344.827 3.640 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2sc(CC)nc2C)cc1 ZINC000069775632 564172146 /nfs/dbraw/zinc/17/21/46/564172146.db2.gz AGPKGZPCRSYTMY-UHFFFAOYSA-N 0 0 343.452 3.973 50 30 EHEARN COc1cccc(NC2CCN(C(=O)C3(C#N)CCCCC3)CC2)c1 ZINC000077015852 564176556 /nfs/dbraw/zinc/17/65/56/564176556.db2.gz XDXKJAHAWVSUPX-UHFFFAOYSA-N 0 0 341.455 3.572 50 30 EHEARN CCn1c2ccccc2c2c1CCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000033308521 564177482 /nfs/dbraw/zinc/17/74/82/564177482.db2.gz FSGNXTCWQJNYHU-UHFFFAOYSA-N 0 0 329.403 3.731 50 30 EHEARN COc1cc(/C=C2/CCOc3ccccc3C2=O)cc2c1OCCO2 ZINC000255069010 1017341692 /nfs/dbraw/zinc/34/16/92/1017341692.db2.gz HWJBSHHYDQIPCO-UVTDQMKNSA-N 0 0 338.359 3.515 50 30 EHEARN CC1=C(C(=O)C=Cc2cccc(C(F)(F)F)c2)[C@H](C)N2NN=NC2=N1 ZINC000328589733 1017954048 /nfs/dbraw/zinc/95/40/48/1017954048.db2.gz KOZPRPMPACDOCX-FGEFZZPRSA-N 0 0 349.316 3.507 50 30 EHEARN CCOc1cccc(C=NNC(=S)Nc2cccc(C)c2C)c1O ZINC000254405671 1039664206 /nfs/dbraw/zinc/66/42/06/1039664206.db2.gz YVUAXPRXVAWWPB-UHFFFAOYSA-N 0 0 343.452 3.728 50 30 EHEARN Cn1cnc2cc(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)ccc21 ZINC000332599167 1041675178 /nfs/dbraw/zinc/67/51/78/1041675178.db2.gz IMHTWVLDGSDLGX-UHFFFAOYSA-N 0 0 338.455 3.802 50 30 EHEARN N=C(NOC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004992234 1042728821 /nfs/dbraw/zinc/72/88/21/1042728821.db2.gz FKBBSNHSJGSQGO-UHFFFAOYSA-N 0 0 330.387 3.682 50 30 EHEARN Cc1nn(C)cc1C(=O)C=Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000063278788 1126905641 /nfs/dbraw/zinc/90/56/41/1126905641.db2.gz JGRWZUZHTIDZIB-BQYQJAHWSA-N 0 0 332.363 3.761 50 30 EHEARN CC1(C)Cc2cc(/C=C3\S/C(=N/C4CCCC4)NC3=O)ccc2O1 ZINC000103717326 1139177469 /nfs/dbraw/zinc/17/74/69/1139177469.db2.gz PXDUFZORTIXXPL-YBEGLDIGSA-N 0 0 342.464 3.903 50 30 EHEARN N#Cc1cccc(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 ZINC000051235843 214084158 /nfs/dbraw/zinc/08/41/58/214084158.db2.gz JUNJWSNGSISEQZ-UHFFFAOYSA-N 0 0 348.406 3.715 50 30 EHEARN COc1ccc(O)c(/C=N/N=C/c2ccc(Br)cc2)c1 ZINC000004703551 210253798 /nfs/dbraw/zinc/25/37/98/210253798.db2.gz KLIHMYFMNCKNKT-BEQMOXJMSA-N 0 0 333.185 3.616 50 30 EHEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)N1CCCCC1 ZINC000004663593 210240021 /nfs/dbraw/zinc/24/00/21/210240021.db2.gz ZNZQWNSRTMJTFZ-UHFFFAOYSA-N 0 0 343.477 3.786 50 30 EHEARN N#Cc1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 ZINC000049581243 214020036 /nfs/dbraw/zinc/02/00/36/214020036.db2.gz BWYQPBILNYDMFC-UHFFFAOYSA-N 0 0 325.375 3.656 50 30 EHEARN COc1ccc(C(=CNc2ccc(C(C)=O)cc2)C(C)=O)cc1OC ZINC000100301550 219095729 /nfs/dbraw/zinc/09/57/29/219095729.db2.gz BGWFLSCJCWMHMA-LDADJPATSA-N 0 0 339.391 3.948 50 30 EHEARN COc1ccc(C2CC(=O)C(=CNC3CCCCC3)C(=O)C2)cc1 ZINC000100636633 219103757 /nfs/dbraw/zinc/10/37/57/219103757.db2.gz NMSNYPFQSPYYKH-UHFFFAOYSA-N 0 0 327.424 3.517 50 30 EHEARN CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1cccc(Cl)c1 ZINC000100708009 219104744 /nfs/dbraw/zinc/10/47/44/219104744.db2.gz HKNSLNJKNYKMSP-XZKWLNOSSA-N 0 0 342.738 3.771 50 30 EHEARN Cn1c2ccccc2s/c1=N\N=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100926155 219111884 /nfs/dbraw/zinc/11/18/84/219111884.db2.gz BLVPLXPXPUPYEO-JTWUEKBUSA-N 0 0 346.799 3.736 50 30 EHEARN Clc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000004380223 210183172 /nfs/dbraw/zinc/18/31/72/210183172.db2.gz XONLFJXNDNIQCR-UDWIEESQSA-N 0 0 348.797 3.915 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(F)c1 ZINC000064844828 214809812 /nfs/dbraw/zinc/80/98/12/214809812.db2.gz PJGCQQDNBTZCMK-UHFFFAOYSA-N 0 0 348.337 3.877 50 30 EHEARN COc1ccc([C@@H]2CC(=O)C=C(NC3Cc4ccccc4C3)C2)cc1 ZINC000101172505 219118937 /nfs/dbraw/zinc/11/89/37/219118937.db2.gz IBRYVVHREZLAPR-SFHVURJKSA-N 0 0 333.431 3.783 50 30 EHEARN S=C(N/N=C/c1cccc(Br)c1)NC1CCCCC1 ZINC000004210609 210145338 /nfs/dbraw/zinc/14/53/38/210145338.db2.gz BWLBOCCGQHQQRF-MHWRWJLKSA-N 0 0 340.290 3.580 50 30 EHEARN COc1ccc([C@@H](NCC#N)c2ccccc2)cc1Br ZINC000065552500 214957732 /nfs/dbraw/zinc/95/77/32/214957732.db2.gz YXQAYNQEOPSIDY-INIZCTEOSA-N 0 0 331.213 3.660 50 30 EHEARN N#Cc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 ZINC000004107354 210122227 /nfs/dbraw/zinc/12/22/27/210122227.db2.gz QMJXESLRAMWWNH-UHFFFAOYSA-N 0 0 344.374 3.739 50 30 EHEARN N#Cc1ccc(NCc2ccnc(OCC(F)(F)F)c2)c(F)c1 ZINC000065610257 214979469 /nfs/dbraw/zinc/97/94/69/214979469.db2.gz GKUFGWIWYUQTJH-UHFFFAOYSA-N 0 0 325.265 3.646 50 30 EHEARN CC(=O)O[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]12C ZINC000004081279 210114511 /nfs/dbraw/zinc/11/45/11/210114511.db2.gz AEFVYXKODUCZPV-YMXFGFFISA-N 0 0 346.467 3.675 50 30 biogenic EHEARN CN(/N=C/c1cc(Br)cs1)c1cnc2ccccc2n1 ZINC000003909667 210093089 /nfs/dbraw/zinc/09/30/89/210093089.db2.gz QSOMQODMIIEZAZ-REZTVBANSA-N 0 0 347.241 3.924 50 30 EHEARN Cc1ccc(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cn1 ZINC000066392823 215038022 /nfs/dbraw/zinc/03/80/22/215038022.db2.gz XJSWSTOTCMSTGM-AWEZNQCLSA-N 0 0 334.206 3.620 50 30 EHEARN N#Cc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003609136 210064952 /nfs/dbraw/zinc/06/49/52/210064952.db2.gz ISZPQKMISILODL-UHFFFAOYSA-N 0 0 342.398 3.843 50 30 EHEARN N#Cc1ccc(COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 ZINC000003359875 210017771 /nfs/dbraw/zinc/01/77/71/210017771.db2.gz XTTWRTSFKNOCHG-JXMROGBWSA-N 0 0 329.302 3.916 50 30 EHEARN Cc1ccc(C#N)c(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 ZINC000067934754 215252296 /nfs/dbraw/zinc/25/22/96/215252296.db2.gz OGAGTOOHVUSSSP-LEWJYISDSA-N 0 0 343.430 3.770 50 30 EHEARN COc1cc(OC)cc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)c1 ZINC000067947414 215256518 /nfs/dbraw/zinc/25/65/18/215256518.db2.gz QNVMZOOJLFRDQJ-UHFFFAOYSA-N 0 0 335.363 3.788 50 30 EHEARN C=CCOC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C ZINC000002708782 209893478 /nfs/dbraw/zinc/89/34/78/209893478.db2.gz NTDHJGGSEBPBOY-UHFFFAOYSA-N 0 0 336.800 3.700 50 30 EHEARN Cc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103503616 219308329 /nfs/dbraw/zinc/30/83/29/219308329.db2.gz ZBXBHEJMSJFGQY-CQSZACIVSA-N 0 0 346.308 3.975 50 30 EHEARN CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000103504427 219309280 /nfs/dbraw/zinc/30/92/80/219309280.db2.gz FNNAKPBTCZFLRM-CQSZACIVSA-N 0 0 342.782 3.700 50 30 EHEARN N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccsc2)c1 ZINC000069669455 215530651 /nfs/dbraw/zinc/53/06/51/215530651.db2.gz CWTKWKDDPHQJHA-UHFFFAOYSA-N 0 0 338.388 3.722 50 30 EHEARN N#CCOc1cccc(NC(=O)c2cc(F)ccc2Br)c1 ZINC000036681636 213110222 /nfs/dbraw/zinc/11/02/22/213110222.db2.gz SNWUJQCMHFVAOZ-UHFFFAOYSA-N 0 0 349.159 3.743 50 30 EHEARN CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(C#N)cc1 ZINC000032779406 212841649 /nfs/dbraw/zinc/84/16/49/212841649.db2.gz PPNHZTOYSKNNNT-UHFFFAOYSA-N 0 0 334.423 3.822 50 30 EHEARN CCc1csc([C@@H]2CCCN(C(=O)C3(C#N)CCCCC3)C2)n1 ZINC000072282134 216111476 /nfs/dbraw/zinc/11/14/76/216111476.db2.gz QIYYGYDXYMKORI-CQSZACIVSA-N 0 0 331.485 3.886 50 30 EHEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)ccc1[N+](=O)[O-] ZINC000000138123 209444615 /nfs/dbraw/zinc/44/46/15/209444615.db2.gz DIDRFXKEOXDRQD-UHFFFAOYSA-N 0 0 327.365 3.577 50 30 EHEARN C=C(C)c1nc(C#N)c(N=NCc2ccc(OCCC)c(OC)c2)o1 ZINC000027562319 212565528 /nfs/dbraw/zinc/56/55/28/212565528.db2.gz IIVJEPLBGBUCHU-RGVLZGJSSA-N 0 0 340.383 3.823 50 30 EHEARN Cc1cc(NCCc2ccccn2)n2c3ccccc3nc2c1C#N ZINC000025251786 212468953 /nfs/dbraw/zinc/46/89/53/212468953.db2.gz QKHKSUPRTLPTCP-UHFFFAOYSA-N 0 0 327.391 3.717 50 30 EHEARN C=C(Cl)COC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000022988367 212340922 /nfs/dbraw/zinc/34/09/22/212340922.db2.gz HCPFNNHIMXIUGY-UHFFFAOYSA-N 0 0 341.592 3.749 50 30 EHEARN N#Cc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)ccn1 ZINC000193462641 240175748 /nfs/dbraw/zinc/17/57/48/240175748.db2.gz ZNYFCHRUMOISAP-LJQANCHMSA-N 0 0 347.418 3.611 50 30 EHEARN N#Cc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000020619894 212157186 /nfs/dbraw/zinc/15/71/86/212157186.db2.gz SNXDCXQLKFBHOD-ZZXKWVIFSA-N 0 0 325.751 3.879 50 30 EHEARN CC[NH+](CC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020573501 212148851 /nfs/dbraw/zinc/14/88/51/212148851.db2.gz OTZPYYYUGSZEMX-BOPFTXTBSA-N 0 0 338.407 3.554 50 30 EHEARN Cc1ccc([C@H]2CC(=O)Nc3sc4c(nc(N)c(C#N)c4C)c32)cc1 ZINC000020029522 212094312 /nfs/dbraw/zinc/09/43/12/212094312.db2.gz UXPWDDKQIGUQRN-GFCCVEGCSA-N 0 0 348.431 3.841 50 30 EHEARN C=CCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000019851973 212076238 /nfs/dbraw/zinc/07/62/38/212076238.db2.gz NPCPGTWSEJGSSN-UHFFFAOYSA-N 0 0 325.799 3.645 50 30 EHEARN O=C1C[C@H](c2ccco2)CC2=Nc3nonc3N[C@@H](c3ccccc3)C12 ZINC000012390568 211366202 /nfs/dbraw/zinc/36/62/02/211366202.db2.gz IYQYGSCWXNNZBC-PXAZEXFGSA-N 0 0 348.362 3.642 50 30 EHEARN N#Cc1ccc(-c2ccco2)nc1SCC(=O)Nc1ccccc1 ZINC000012250990 211329315 /nfs/dbraw/zinc/32/93/15/211329315.db2.gz AOIDBZSXEVLNMG-UHFFFAOYSA-N 0 0 335.388 3.944 50 30 EHEARN C=C(C)COc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000012138011 211301790 /nfs/dbraw/zinc/30/17/90/211301790.db2.gz OJAGELQOYWYSRF-UHFFFAOYSA-N 0 0 327.380 3.911 50 30 EHEARN C=CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000011702712 211238862 /nfs/dbraw/zinc/23/88/62/211238862.db2.gz WBVBUQFEQZATLK-KRWDZBQOSA-N 0 0 339.439 3.587 50 30 EHEARN C=CC[C@@]1(CO)CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 ZINC000091625159 218034652 /nfs/dbraw/zinc/03/46/52/218034652.db2.gz KFQBEPXPUWTHKB-QGZVFWFLSA-N 0 0 325.811 3.578 50 30 EHEARN N#Cc1ccc(OCCOC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000010647996 211184409 /nfs/dbraw/zinc/18/44/09/211184409.db2.gz REEMMOUSKUSFCP-UHFFFAOYSA-N 0 0 335.281 3.813 50 30 EHEARN Cn1c(SCc2ccc(C#N)cc2F)nnc1-c1ccccc1F ZINC000010616723 211182172 /nfs/dbraw/zinc/18/21/72/211182172.db2.gz QMJBETLODBEMNX-UHFFFAOYSA-N 0 0 342.374 3.924 50 30 EHEARN Cc1occc1C(=O)N1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000095350241 218284530 /nfs/dbraw/zinc/28/45/30/218284530.db2.gz SDUQFAOPWFNKSG-UHFFFAOYSA-N 0 0 343.814 3.830 50 30 EHEARN Cc1ccc(C#N)c(N2CCC[C@@H](c3nccn3CC3CCC3)C2)n1 ZINC000095357507 218290039 /nfs/dbraw/zinc/29/00/39/218290039.db2.gz FYCBFOCNGJCMPW-GOSISDBHSA-N 0 0 335.455 3.642 50 30 EHEARN N#C[C@H](NC(=O)c1ccnn1C1CCCC1)c1ccc(Cl)cc1 ZINC000095421214 218362802 /nfs/dbraw/zinc/36/28/02/218362802.db2.gz MNKCICAJVHBICK-HNNXBMFYSA-N 0 0 328.803 3.646 50 30 EHEARN N#C[C@@]1(NC(=O)c2cc(-c3ccccn3)ccc2Cl)CCSC1 ZINC000095438234 218381520 /nfs/dbraw/zinc/38/15/20/218381520.db2.gz HOUIWFHMEIQKDK-KRWDZBQOSA-N 0 0 343.839 3.531 50 30 EHEARN O=C(C1=C(O)C(=O)O[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006528018 210647483 /nfs/dbraw/zinc/64/74/83/210647483.db2.gz ZNYUEXBKRXNIMK-MRXNPFEDSA-N 0 0 332.714 3.772 50 30 EHEARN Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1CC(F)(F)F ZINC000005868638 210551016 /nfs/dbraw/zinc/55/10/16/210551016.db2.gz NTRCGDLGNTUPQR-UHFFFAOYSA-N 0 0 336.313 3.801 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000005643312 210508806 /nfs/dbraw/zinc/50/88/06/210508806.db2.gz FVSYDJLVACZPLK-HZUKXOBISA-N 0 0 331.485 3.603 50 30 EHEARN N#Cc1ccc([C@H]2N(c3ccc(Cl)cc3)C(=O)N3CCCN23)cc1 ZINC000005307317 210436763 /nfs/dbraw/zinc/43/67/63/210436763.db2.gz CBVCWGJAZBAFHA-QGZVFWFLSA-N 0 0 338.798 3.773 50 30 EHEARN N#Cc1c(COC(=O)/C=C\c2nc3ccccc3o2)cn2ccccc12 ZINC000096794617 218890488 /nfs/dbraw/zinc/89/04/88/218890488.db2.gz LNIUPWFTFHGPPZ-HJWRWDBZSA-N 0 0 343.342 3.709 50 30 EHEARN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccco2)C1=O ZINC000005061360 210380205 /nfs/dbraw/zinc/38/02/05/210380205.db2.gz HTFZVCCIUCPSME-GZTJUZNOSA-N 0 0 337.375 3.774 50 30 EHEARN O=C(/C=C/c1ccc(I)cc1)c1ccncc1 ZINC000004990202 210352612 /nfs/dbraw/zinc/35/26/12/210352612.db2.gz SFYJCCRDCMGPQM-ZZXKWVIFSA-N 0 0 335.144 3.582 50 30 EHEARN COc1cc(OC)cc(C(=O)c2c(C)c(CCC#N)n3ccccc23)c1 ZINC000004932952 210326876 /nfs/dbraw/zinc/32/68/76/210326876.db2.gz NLMOSJWWIGLOFL-UHFFFAOYSA-N 0 0 348.402 3.952 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000263616040 257899154 /nfs/dbraw/zinc/89/91/54/257899154.db2.gz GQOAMTAPRPJRJJ-QGZVFWFLSA-N 0 0 344.374 3.586 50 30 EHEARN N#CC1(C(=O)NCC2(Cc3ccccc3)CCCCC2)CCOCC1 ZINC000187355061 257952807 /nfs/dbraw/zinc/95/28/07/257952807.db2.gz YQJRWWCTNHVNKQ-UHFFFAOYSA-N 0 0 340.467 3.616 50 30 EHEARN CCC(CC)n1nccc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000408513590 257985201 /nfs/dbraw/zinc/98/52/01/257985201.db2.gz RZPYBHCFDAXFQM-UHFFFAOYSA-N 0 0 328.441 3.918 50 30 EHEARN O=C(NC1CC1)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000330032385 258002308 /nfs/dbraw/zinc/00/23/08/258002308.db2.gz MJVWJJRRNMWVNU-MTHXSQLBSA-N 0 0 336.435 3.983 50 30 EHEARN Cc1cc(C)cc([C@@H](O)CNC(=O)c2cncnc2-c2ccccc2)c1 ZINC000330031631 258002929 /nfs/dbraw/zinc/00/29/29/258002929.db2.gz BMKAKDZOOQWEAU-IBGZPJMESA-N 0 0 347.418 3.799 50 30 EHEARN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccc2ccsc21 ZINC000330031934 258003145 /nfs/dbraw/zinc/00/31/45/258003145.db2.gz GIVJFKMJVDONHK-UHFFFAOYSA-N 0 0 335.392 3.708 50 30 EHEARN COc1ccc(-c2csc(N=NCc3ccc(O)cc3O)n2)cc1 ZINC000008487672 258011742 /nfs/dbraw/zinc/01/17/42/258011742.db2.gz OPHSBZIWFGRMFT-GIJQJNRQSA-N 0 0 341.392 3.676 50 30 EHEARN C=CCN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CCCCC1 ZINC000022318172 258016726 /nfs/dbraw/zinc/01/67/26/258016726.db2.gz RLWPCURCPDGKCD-KRWDZBQOSA-N 0 0 344.480 3.837 50 30 EHEARN CCCCCOc1ccc(C=Nn2c(C)n[nH]c2=S)cc1OC ZINC000006066972 258051669 /nfs/dbraw/zinc/05/16/69/258051669.db2.gz AWYLNHGSMTYZRV-GZTJUZNOSA-N 0 0 334.445 3.709 50 30 EHEARN Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2cccn2C)CC1 ZINC000089589241 258066162 /nfs/dbraw/zinc/06/61/62/258066162.db2.gz QXLUNFBWFOFZGU-UHFFFAOYSA-N 0 0 337.423 3.785 50 30 EHEARN O=C(OCC#CCSc1nc2ccccc2o1)c1ccc(F)cc1 ZINC000004559499 262516480 /nfs/dbraw/zinc/51/64/80/262516480.db2.gz KYVXNMRRLSJYNV-UHFFFAOYSA-N 0 0 341.363 3.919 50 30 EHEARN C=C(C)CSc1nnc(SCC(=O)NC2CCCCC2)s1 ZINC000007230885 518627363 /nfs/dbraw/zinc/62/73/63/518627363.db2.gz LPEYPUFBOTWRCF-UHFFFAOYSA-N 0 0 343.543 3.747 50 30 EHEARN C=CCNC(=O)c1cc2sccc2n1CCOc1ccccc1 ZINC000037526187 518934645 /nfs/dbraw/zinc/93/46/45/518934645.db2.gz CROICJKYFPJTEG-UHFFFAOYSA-N 0 0 326.421 3.698 50 30 EHEARN C=CCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21 ZINC000002601798 519175452 /nfs/dbraw/zinc/17/54/52/519175452.db2.gz QBBZIUWHFXVSRO-UHFFFAOYSA-N 0 0 333.435 3.514 50 30 EHEARN CCCCCCC[C@]1(C)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102792063 520069544 /nfs/dbraw/zinc/06/95/44/520069544.db2.gz PXVRLEMMADNCOV-IBGZPJMESA-N 0 0 327.428 3.729 50 30 EHEARN CCOc1ccccc1/C=C/C(=O)c1cccc(N2CCOCC2)c1 ZINC000011334598 521448875 /nfs/dbraw/zinc/44/88/75/521448875.db2.gz JTVPTOUZEZQCMO-ZHACJKMWSA-N 0 0 337.419 3.818 50 30 EHEARN COc1ccc(C(=O)C=CNc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000100606021 523544245 /nfs/dbraw/zinc/54/42/45/523544245.db2.gz ZVTHEHWXXJLYQM-HJWRWDBZSA-N 0 0 342.351 3.729 50 30 EHEARN Cc1cccc(C(=N)NOC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000004192180 524151069 /nfs/dbraw/zinc/15/10/69/524151069.db2.gz SSIUEYFCPQGJOA-UHFFFAOYSA-N 0 0 346.814 3.508 50 30 EHEARN C[C@H]1CSc2ccc(Cl)cc2N(C(=O)CSCC#N)C1 ZINC000185101288 524763624 /nfs/dbraw/zinc/76/36/24/524763624.db2.gz HVCQARNCJDJQDB-SNVBAGLBSA-N 0 0 326.874 3.672 50 30 EHEARN Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCc2ccccc21 ZINC000000029028 525531456 /nfs/dbraw/zinc/53/14/56/525531456.db2.gz OPDLKBKNORAIOM-UHFFFAOYSA-N 0 0 329.403 3.801 50 30 EHEARN CC1N=NC(=S)N1N=Cc1ccc(COc2ccccc2Cl)o1 ZINC000036611102 526377013 /nfs/dbraw/zinc/37/70/13/526377013.db2.gz BXNLPYGURYNAOX-CAOOACKPSA-N 0 0 348.815 3.583 50 30 EHEARN N#CCSCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180980782 526475622 /nfs/dbraw/zinc/47/56/22/526475622.db2.gz DSOAUZDDQXRLFP-UHFFFAOYSA-N 0 0 342.386 3.668 50 30 EHEARN N#CCc1c(Br)cc(Br)cc1OC(F)F ZINC000263623160 526482059 /nfs/dbraw/zinc/48/20/59/526482059.db2.gz FGHWQJHWSFKAFA-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN N#C[C@@H](C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000004838740 526489589 /nfs/dbraw/zinc/48/95/89/526489589.db2.gz ZSYMMCPIBXUXPB-OAQYLSRUSA-N 0 0 332.447 3.818 50 30 EHEARN N#C[C@H](COC(=O)c1ccc(-c2cnco2)cc1)Cc1cccs1 ZINC000095452834 526508259 /nfs/dbraw/zinc/50/82/59/526508259.db2.gz NPQJQFVTAOVRCV-CYBMUJFWSA-N 0 0 338.388 3.942 50 30 EHEARN N#Cc1c(N2CCOCC2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000000068676 526527510 /nfs/dbraw/zinc/52/75/10/526527510.db2.gz FUOKMZMUTZKPTP-UHFFFAOYSA-N 0 0 342.402 3.519 50 30 EHEARN N#Cc1ccc(CSCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000048813414 526632320 /nfs/dbraw/zinc/63/23/20/526632320.db2.gz YMJHJGXCWKSLHI-OAHLLOKOSA-N 0 0 346.415 3.544 50 30 EHEARN Cc1nn(C)cc1C(=O)C=Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000141592227 527688940 /nfs/dbraw/zinc/68/89/40/527688940.db2.gz JGRWZUZHTIDZIB-FPLPWBNLSA-N 0 0 332.363 3.761 50 30 EHEARN COc1ccccc1N1CCN(/N=C(\C)c2ccccc2Cl)CC1 ZINC000005494483 537062752 /nfs/dbraw/zinc/06/27/52/537062752.db2.gz ACZJWTBKUQYPRF-RCCKNPSSSA-N 0 0 343.858 3.895 50 30 EHEARN C#C[C@H](NC(=O)Nc1cc(Br)c(F)cc1C)C(C)C ZINC000253425852 564131074 /nfs/dbraw/zinc/13/10/74/564131074.db2.gz WEMRCVZIXVIVIL-LBPRGKRZSA-N 0 0 327.197 3.676 50 30 EHEARN O=C(NC1CCCCC1)O/N=C/c1ccc(Br)cc1 ZINC000000315492 563282730 /nfs/dbraw/zinc/28/27/30/563282730.db2.gz AWONIKSGHQXZJE-MHWRWJLKSA-N 0 0 325.206 3.842 50 30 EHEARN C=CCOc1ccc(-c2nc(C(=O)NC(C)C)cs2)cc1OC ZINC000034712235 563451174 /nfs/dbraw/zinc/45/11/74/563451174.db2.gz OXGJHBZWFOTGPM-UHFFFAOYSA-N 0 0 332.425 3.522 50 30 EHEARN COc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1NC(C)=O ZINC000071892679 563472014 /nfs/dbraw/zinc/47/20/14/563472014.db2.gz FYKCWFOXLNYQPV-QPJJXVBHSA-N 0 0 331.318 3.828 50 30 EHEARN CO/N=C(/C)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c(C)n1 ZINC000005200234 563522438 /nfs/dbraw/zinc/52/24/38/563522438.db2.gz CRPJFJDBXWBPOH-SCDVKCJHSA-N 0 0 332.713 3.618 50 30 EHEARN O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000005649884 563543731 /nfs/dbraw/zinc/54/37/31/563543731.db2.gz OTFBKBZBRRXXFU-SKCQWOFPSA-N 0 0 343.839 3.504 50 30 EHEARN C=CC[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000071909251 563572578 /nfs/dbraw/zinc/57/25/78/563572578.db2.gz BNGYRVGYCYXKAX-QGZVFWFLSA-N 0 0 339.395 3.616 50 30 EHEARN COc1ccc([C@@H]2OC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006732660 563584195 /nfs/dbraw/zinc/58/41/95/563584195.db2.gz CSWBDKCUHLEPQF-KRWDZBQOSA-N 0 0 344.750 3.642 50 30 EHEARN COc1ccccc1-c1nnc(SCC#N)n1-c1ccc(C)cc1 ZINC000002646808 563597852 /nfs/dbraw/zinc/59/78/52/563597852.db2.gz CAQTWCAJMQMJNR-UHFFFAOYSA-N 0 0 336.420 3.867 50 30 EHEARN N#Cc1cn(CCCOc2ccccc2)c2ccc(Cl)cc2c1=O ZINC000071915129 563617188 /nfs/dbraw/zinc/61/71/88/563617188.db2.gz CBWDRYSFJRQPIC-UHFFFAOYSA-N 0 0 338.794 3.996 50 30 EHEARN COC(=O)c1ccc2nc(/N=C/c3ccc(N(C)C)cc3)sc2c1 ZINC000002843373 563618206 /nfs/dbraw/zinc/61/82/06/563618206.db2.gz IGZAGXJFOUAPCK-YBFXNURJSA-N 0 0 339.420 3.900 50 30 EHEARN N#Cc1ccc(-c2ccc(OCc3ccc(C(N)=O)cc3)cc2)cc1 ZINC000014220169 563751634 /nfs/dbraw/zinc/75/16/34/563751634.db2.gz PCTNAEMZYFIZAS-UHFFFAOYSA-N 0 0 328.371 3.903 50 30 EHEARN Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1N1CCCC1 ZINC000032853722 563762261 /nfs/dbraw/zinc/76/22/61/563762261.db2.gz CCKZPTCPAYJZQC-INIZCTEOSA-N 0 0 348.450 3.906 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000032935583 563845252 /nfs/dbraw/zinc/84/52/52/563845252.db2.gz QASRVTRZXLBVSZ-UHFFFAOYSA-N 0 0 339.251 3.648 50 30 EHEARN N#CCCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCOCC1 ZINC000069968658 563892145 /nfs/dbraw/zinc/89/21/45/563892145.db2.gz FPJWGJWSJXNBJV-UHFFFAOYSA-N 0 0 345.830 3.890 50 30 EHEARN O=C(NCCOc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000004992016 563919136 /nfs/dbraw/zinc/91/91/36/563919136.db2.gz FWNOQLQDGGPONE-UHFFFAOYSA-N 0 0 347.414 3.958 50 30 EHEARN CCOC(=O)CCCOc1nc(C(C)C)c2c(c1C#N)CCCC2 ZINC000013724350 563932236 /nfs/dbraw/zinc/93/22/36/563932236.db2.gz UCERUGLINRUSLI-UHFFFAOYSA-N 0 0 330.428 3.678 50 30 EHEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccccc3O)n2)c1 ZINC000054202544 563932792 /nfs/dbraw/zinc/93/27/92/563932792.db2.gz KIJUSYPHHQQMLD-MFOYZWKCSA-N 0 0 340.364 3.870 50 30 EHEARN Cc1cc(O)ccc1-c1cc(-c2cnn(C(C)C)c2)c(C#N)c(N)n1 ZINC000071523990 563935719 /nfs/dbraw/zinc/93/57/19/563935719.db2.gz VZWVTOYPBUUXDT-UHFFFAOYSA-N 0 0 333.395 3.661 50 30 EHEARN N#Cc1cccc(Cl)c1NCc1ccnc(OC2CCOCC2)c1 ZINC000096429505 563952380 /nfs/dbraw/zinc/95/23/80/563952380.db2.gz KBZUKANJJLYBQV-UHFFFAOYSA-N 0 0 343.814 3.777 50 30 EHEARN O=C1SC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccco1 ZINC000000027708 563963191 /nfs/dbraw/zinc/96/31/91/563963191.db2.gz OURWUIXWIGRDCU-XFFZJAGNSA-N 0 0 334.740 3.902 50 30 EHEARN Cc1cc([C@@H](C)Nc2ncnc3c2cnn3CCC#N)c(C)s1 ZINC000097200080 563970427 /nfs/dbraw/zinc/97/04/27/563970427.db2.gz REDFBGFWCMOZSZ-LLVKDONJSA-N 0 0 326.429 3.591 50 30 EHEARN O=C(/C=C\c1ccccc1OC(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000097998045 563970483 /nfs/dbraw/zinc/97/04/83/563970483.db2.gz VMWLJDPVTSUKIQ-ALCCZGGFSA-N 0 0 345.301 3.515 50 30 EHEARN COCCOc1ccc(C(=O)/C=C/c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000044027700 563980785 /nfs/dbraw/zinc/98/07/85/563980785.db2.gz BEGOAIRZIIUACS-BJMVGYQFSA-N 0 0 341.363 3.825 50 30 EHEARN C[C@@H]1SCc2c1nc(N)c(C#N)c2-c1cnc(-c2ccco2)nc1 ZINC000071758912 563983032 /nfs/dbraw/zinc/98/30/32/563983032.db2.gz KFJHMWODXPHVLU-VIFPVBQESA-N 0 0 335.392 3.560 50 30 EHEARN N#Cc1ccccc1-c1ccc(Cn2nnc(-c3ccsc3)n2)cc1 ZINC000071794073 563983163 /nfs/dbraw/zinc/98/31/63/563983163.db2.gz GCNLXWXDNPAVEP-UHFFFAOYSA-N 0 0 343.415 3.989 50 30 EHEARN N#Cc1cccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)c1 ZINC000014095432 563983198 /nfs/dbraw/zinc/98/31/98/563983198.db2.gz QSXUDBNIHDSXIG-UHFFFAOYSA-N 0 0 336.782 3.709 50 30 EHEARN Cc1oc(-c2ccccc2)nc1CON=C1CCC2(CC1)OCCO2 ZINC000060881507 563983906 /nfs/dbraw/zinc/98/39/06/563983906.db2.gz JXQRQEJQGOJNIK-UHFFFAOYSA-N 0 0 342.395 3.840 50 30 EHEARN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCC(F)(F)CC1 ZINC000119975572 563983910 /nfs/dbraw/zinc/98/39/10/563983910.db2.gz RXHKVMUHDYTSLG-UHFFFAOYSA-N 0 0 338.354 3.935 50 30 EHEARN Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000328588859 563984109 /nfs/dbraw/zinc/98/41/09/563984109.db2.gz XTESVTDGIJRUJP-DYVFJYSZSA-N 0 0 338.473 3.580 50 30 EHEARN COc1ccc2occ(C(=O)[C@H](C#N)C(=O)Nc3cccc(C)c3)c2c1 ZINC000408515774 563993028 /nfs/dbraw/zinc/99/30/28/563993028.db2.gz DKPRFMDSMCOEQU-INIZCTEOSA-N 0 0 348.358 3.711 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)CCc1cccc(Cl)c1 ZINC000069900781 563994869 /nfs/dbraw/zinc/99/48/69/563994869.db2.gz KUXUKWWMVKWXKZ-UHFFFAOYSA-N 0 0 327.815 3.610 50 30 EHEARN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sccc2C)cc1Cl ZINC000130266027 563996248 /nfs/dbraw/zinc/99/62/48/563996248.db2.gz HALSKFGEIUGEDD-NSHDSACASA-N 0 0 348.811 3.680 50 30 EHEARN C#C[C@](O)(c1ccc(C)cc1)[C@@H]1CC[C@H]1[C@@](O)(C#C)c1ccc(C)cc1 ZINC000248132651 563996419 /nfs/dbraw/zinc/99/64/19/563996419.db2.gz BHRAKBJCLIOPRY-YCAMKHIRSA-N 0 0 344.454 3.671 50 30 EHEARN CSc1ccsc1C(C)=NOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252629341 563998010 /nfs/dbraw/zinc/99/80/10/563998010.db2.gz UDZVQFWFCNULKH-UHFFFAOYSA-N 0 0 336.394 3.959 50 30 EHEARN N#Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000075584482 564000496 /nfs/dbraw/zinc/00/04/96/564000496.db2.gz HBOLWRNKKAQRJI-TZMCWYRMSA-N 0 0 343.324 3.618 50 30 EHEARN CO/N=C/C(=NNc1ccc(C)c(C)c1)C(=O)c1ccc(OC)cc1 ZINC000005218379 564001148 /nfs/dbraw/zinc/00/11/48/564001148.db2.gz CKGOFZDBBCFGIR-HATKFBMPSA-N 0 0 339.395 3.595 50 30 EHEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000005629823 564006775 /nfs/dbraw/zinc/00/67/75/564006775.db2.gz PMVMLGBNSABOCA-OAHLLOKOSA-N 0 0 338.407 3.898 50 30 EHEARN C=CCNC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 ZINC000008854295 564007227 /nfs/dbraw/zinc/00/72/27/564007227.db2.gz XFNQFBUGINRVLG-UHFFFAOYSA-N 0 0 338.885 3.934 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccc(Cl)cc1 ZINC000018195602 564018676 /nfs/dbraw/zinc/01/86/76/564018676.db2.gz GOHJHSQLJPJOKH-ZDUSSCGKSA-N 0 0 343.814 3.969 50 30 EHEARN O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1cc3c(cc1N2)OCO3 ZINC000018196756 564018716 /nfs/dbraw/zinc/01/87/16/564018716.db2.gz ZSJUFXTWWUJUQY-IBGZPJMESA-N 0 0 335.359 3.685 50 30 EHEARN CC(C)(C)NC1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O ZINC000101720029 564019519 /nfs/dbraw/zinc/01/95/19/564019519.db2.gz GOTKSKJWQATALM-PGMHBOJBSA-N 0 0 346.390 3.751 50 30 EHEARN COc1ccccc1C=CC(=O)[C@H](C#N)C(=O)Nc1c(C)cccc1C ZINC000103503941 564022618 /nfs/dbraw/zinc/02/26/18/564022618.db2.gz IRKXBGREUKXQDS-FLVLSHQESA-N 0 0 348.402 3.673 50 30 EHEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)C1 ZINC000000552566 564023003 /nfs/dbraw/zinc/02/30/03/564023003.db2.gz YLDULFYBKSPFSD-VXGBXAGGSA-N 0 0 326.356 3.604 50 30 EHEARN CCCC(Nc1ccccc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000103918071 564023325 /nfs/dbraw/zinc/02/33/25/564023325.db2.gz MLTIXQLVYSNMBK-YHKKIHSWSA-N 0 0 343.423 3.510 50 30 EHEARN Cc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)c1 ZINC000046125179 564029597 /nfs/dbraw/zinc/02/95/97/564029597.db2.gz QPRVAWGJBKMENZ-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc(OC)c1O ZINC000048521030 564031917 /nfs/dbraw/zinc/03/19/17/564031917.db2.gz SEQRRIDZRJLLIN-GHXNOFRVSA-N 0 0 344.338 3.597 50 30 EHEARN C=CCNc1nnc(SCc2cc(OC)c(OC)cc2C)s1 ZINC000005784801 564052142 /nfs/dbraw/zinc/05/21/42/564052142.db2.gz AUTVFJDDFKVHLU-UHFFFAOYSA-N 0 0 337.470 3.754 50 30 EHEARN CCOc1cccc(C2N=NC(=S)N2N=Cc2cccs2)c1 ZINC000005906943 564056945 /nfs/dbraw/zinc/05/69/45/564056945.db2.gz NERIVOLRGBAMFC-MHWRWJLKSA-N 0 0 330.438 3.576 50 30 EHEARN N#Cc1c(Cl)cccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000025637927 564060174 /nfs/dbraw/zinc/06/01/74/564060174.db2.gz NYFODYLXEMKFBH-UHFFFAOYSA-N 0 0 333.863 3.659 50 30 EHEARN N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000001390029 564063953 /nfs/dbraw/zinc/06/39/53/564063953.db2.gz BNNQPGVIFLWJOM-UHFFFAOYSA-N 0 0 340.814 3.566 50 30 EHEARN C=CCN(C(=O)c1ccnc(-n2ccnc2)c1)[C@@H]1CCc2ccccc21 ZINC000058412548 564065308 /nfs/dbraw/zinc/06/53/08/564065308.db2.gz YYMHZEXLDXNOLJ-LJQANCHMSA-N 0 0 344.418 3.583 50 30 EHEARN C=CCc1cc([C@@H]2CC(=O)Nc3onc(C)c32)cc(OC)c1OCC ZINC000065371049 564066756 /nfs/dbraw/zinc/06/67/56/564066756.db2.gz BYFMPYIRSINRMK-AWEZNQCLSA-N 0 0 342.395 3.593 50 30 EHEARN N#CCC[C@@H](C#N)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000012811362 564072825 /nfs/dbraw/zinc/07/28/25/564072825.db2.gz VRULBCITRBMWEE-AWEZNQCLSA-N 0 0 346.365 3.646 50 30 EHEARN CC[C@H](C(=O)N1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000085557011 564073991 /nfs/dbraw/zinc/07/39/91/564073991.db2.gz FFKFFZBUESPEKO-IBGZPJMESA-N 0 0 349.434 3.517 50 30 EHEARN O=C(NC1CCCCC1)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000000611642 564074628 /nfs/dbraw/zinc/07/46/28/564074628.db2.gz AAEZYEAXNFPCSR-UHFFFAOYSA-N 0 0 325.452 3.796 50 30 EHEARN N#Cc1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000569567 564075069 /nfs/dbraw/zinc/07/50/69/564075069.db2.gz ZDSUPYMORDSPRE-SOFGYWHQSA-N 0 0 327.727 3.772 50 30 EHEARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)[C@H](C)CC[C@]23CCC(=O)[C@@]21O3)C(=O)CC ZINC000257356493 564076580 /nfs/dbraw/zinc/07/65/80/564076580.db2.gz IKLCRHMVXJGFCE-XCRSBDITSA-N 0 0 348.483 3.870 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCc2ccccc21 ZINC000012923320 564078462 /nfs/dbraw/zinc/07/84/62/564078462.db2.gz ZFZDYOGDVSHKMG-QGZVFWFLSA-N 0 0 331.375 3.668 50 30 EHEARN N#Cc1ccc(COCC2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000075156589 564080919 /nfs/dbraw/zinc/08/09/19/564080919.db2.gz MAXJLCOAEAEGSV-UHFFFAOYSA-N 0 0 340.467 3.894 50 30 EHEARN CCc1c(C)sc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1C#N ZINC000002801090 564081606 /nfs/dbraw/zinc/08/16/06/564081606.db2.gz FMPRTBTWQLGEGF-UHFFFAOYSA-N 0 0 329.381 3.580 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1OCCCC#N ZINC000064367362 564089445 /nfs/dbraw/zinc/08/94/45/564089445.db2.gz UAPRYKRSKFRGSI-VQHVLOKHSA-N 0 0 337.375 3.979 50 30 EHEARN N#CCSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 ZINC000006506813 564091160 /nfs/dbraw/zinc/09/11/60/564091160.db2.gz UWSUWLLQRIJTPG-UHFFFAOYSA-N 0 0 328.328 3.688 50 30 EHEARN COc1ccc(F)cc1-c1ccc(C(=O)N2CCC(C#N)CC2)cc1 ZINC000426712545 564094451 /nfs/dbraw/zinc/09/44/51/564094451.db2.gz AUIIVBWWBUVRSR-UHFFFAOYSA-N 0 0 338.382 3.877 50 30 EHEARN COc1ccc(-n2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)cc1 ZINC000006662746 564095624 /nfs/dbraw/zinc/09/56/24/564095624.db2.gz ZCDFINJHLUCLHQ-UHFFFAOYSA-N 0 0 341.436 3.521 50 30 EHEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1 ZINC000006691000 564096068 /nfs/dbraw/zinc/09/60/68/564096068.db2.gz LSICYZSYPLJLKI-RGVLZGJSSA-N 0 0 335.367 3.843 50 30 EHEARN Cn1c(CNc2cc(C#N)c3cc(Cl)ccc3n2)nc2cccnc21 ZINC000170079953 564105369 /nfs/dbraw/zinc/10/53/69/564105369.db2.gz DHAHXPVDCBTPGN-UHFFFAOYSA-N 0 0 348.797 3.654 50 30 EHEARN N#Cc1cnc(NC2CCN(C(=O)C3CCCCC3)CC2)c(Cl)c1 ZINC000065542648 564107340 /nfs/dbraw/zinc/10/73/40/564107340.db2.gz DMMIFUHLNOFXKO-UHFFFAOYSA-N 0 0 346.862 3.590 50 30 EHEARN C=CCSCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000065577355 564107685 /nfs/dbraw/zinc/10/76/85/564107685.db2.gz JHCOSCQPFDWECK-MRXNPFEDSA-N 0 0 329.469 3.639 50 30 EHEARN N#Cc1cccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000007395814 564107784 /nfs/dbraw/zinc/10/77/84/564107784.db2.gz ALWUUGWRVHNGIO-UHFFFAOYSA-N 0 0 349.173 3.661 50 30 EHEARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C#N)cnc2Cl)cc1 ZINC000170609106 564109679 /nfs/dbraw/zinc/10/96/79/564109679.db2.gz MNNTZRJCWPEAGY-UHFFFAOYSA-N 0 0 349.843 3.705 50 30 EHEARN COc1ccccc1CC(C)=CC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000076020398 564114559 /nfs/dbraw/zinc/11/45/59/564114559.db2.gz JVBHPLVHBGJYDV-RZXPCSSPSA-N 0 0 326.421 3.825 50 30 EHEARN Cc1cc(C)nc([C@H](C#N)C(=O)c2ccc(-c3ccccc3)n2C)n1 ZINC000076090006 564115598 /nfs/dbraw/zinc/11/55/98/564115598.db2.gz WDUHXNCIEFADCG-MRXNPFEDSA-N 0 0 330.391 3.589 50 30 EHEARN CC(C)c1cc(C(=O)NC2(C#N)CCSCC2)c2ccccc2n1 ZINC000193177764 564118717 /nfs/dbraw/zinc/11/87/17/564118717.db2.gz ONAFWISKWDJQSG-UHFFFAOYSA-N 0 0 339.464 3.877 50 30 EHEARN CCc1cccc2c(C3CCN(C(=O)CSCC#N)CC3)c[nH]c21 ZINC000193414805 564119523 /nfs/dbraw/zinc/11/95/23/564119523.db2.gz LKZZJXYLKGZYDS-UHFFFAOYSA-N 0 0 341.480 3.693 50 30 EHEARN N#Cc1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c[nH]1 ZINC000194428939 564120499 /nfs/dbraw/zinc/12/04/99/564120499.db2.gz LILJNRHWCQGJPD-UHFFFAOYSA-N 0 0 345.227 3.759 50 30 EHEARN CC(C)n1cc(C#N)c(NC(=O)[C@H](C)Oc2cccc3ccccc32)n1 ZINC000194545874 564121642 /nfs/dbraw/zinc/12/16/42/564121642.db2.gz XKAHGCCLANEFBL-AWEZNQCLSA-N 0 0 348.406 3.895 50 30 EHEARN N=C(NN=Cc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000252630313 564123575 /nfs/dbraw/zinc/12/35/75/564123575.db2.gz UZFDTIZJGPJZTI-UHFFFAOYSA-N 0 0 326.400 3.712 50 30 EHEARN Cc1ccc(NN=C(C#N)C(=O)c2ccc(Br)cc2)cc1 ZINC000252632217 564124101 /nfs/dbraw/zinc/12/41/01/564124101.db2.gz VQUJAWRWLLHWEW-UHFFFAOYSA-N 0 0 342.196 3.932 50 30 EHEARN N#Cc1cc(F)c(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000253417558 564130862 /nfs/dbraw/zinc/13/08/62/564130862.db2.gz AMFDXRAYESRQQB-GJYPPUQNSA-N 0 0 340.373 3.845 50 30 EHEARN CNc1ccc(C#N)cc1NC(=O)c1sccc1Br ZINC000253417523 564130867 /nfs/dbraw/zinc/13/08/67/564130867.db2.gz XPWWKHCVTJDAPJ-UHFFFAOYSA-N 0 0 336.214 3.676 50 30 EHEARN C=CCNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000002292435 564131748 /nfs/dbraw/zinc/13/17/48/564131748.db2.gz HKHPWHCIEBECAV-UHFFFAOYSA-N 0 0 340.452 3.997 50 30 EHEARN N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000027562267 564132152 /nfs/dbraw/zinc/13/21/52/564132152.db2.gz FIDIQKXIRFUXAF-UHFFFAOYSA-N 0 0 344.779 3.699 50 30 EHEARN COC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C#N)c1C ZINC000000256831 564133081 /nfs/dbraw/zinc/13/30/81/564133081.db2.gz ZFYKXLLSYIVVHY-UHFFFAOYSA-N 0 0 334.784 3.621 50 30 EHEARN C[C@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C#N)c2C1 ZINC000000270831 564133094 /nfs/dbraw/zinc/13/30/94/564133094.db2.gz SCMPLQYANLERNR-JTQLQIEISA-N 0 0 341.392 3.905 50 30 EHEARN N#Cc1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000310066 564133102 /nfs/dbraw/zinc/13/31/02/564133102.db2.gz ZXRXVLZABHZTQT-UHFFFAOYSA-N 0 0 333.303 3.979 50 30 EHEARN C=CCCc1ccccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1 ZINC000585123585 564134010 /nfs/dbraw/zinc/13/40/10/564134010.db2.gz GVXFCOJIDJLJAJ-MOPGFXCFSA-N 0 0 337.423 3.852 50 30 EHEARN CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C#N ZINC000008723152 564134076 /nfs/dbraw/zinc/13/40/76/564134076.db2.gz YKJWFYGLZDPULT-UHFFFAOYSA-N 0 0 345.196 3.972 50 30 EHEARN N#Cc1ccc(-n2nccc2NC(=O)/C=C/c2ccccc2F)cc1 ZINC000112831713 564134085 /nfs/dbraw/zinc/13/40/85/564134085.db2.gz RVKNWFDSUIHSNW-JXMROGBWSA-N 0 0 332.338 3.535 50 30 EHEARN CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(-c3nc[nH]n3)c2)n1 ZINC000225470438 564135061 /nfs/dbraw/zinc/13/50/61/564135061.db2.gz FPZBGRYGOVPIGK-ZDUSSCGKSA-N 0 0 337.408 3.542 50 30 EHEARN COc1cc2c(cc1O)CCN(/C(C)=C1\C(=O)C[C@@H]3[C@H]1C3(C)C)[C@@H]2C ZINC000012861225 564135666 /nfs/dbraw/zinc/13/56/66/564135666.db2.gz KJMAECMWADQLQD-AWYITVADSA-N 0 0 341.451 3.839 50 30 biogenic EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000012982411 564135770 /nfs/dbraw/zinc/13/57/70/564135770.db2.gz UJEGAHWDYCDNBH-NSHDSACASA-N 0 0 332.306 3.566 50 30 EHEARN CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1F ZINC000013284534 564136142 /nfs/dbraw/zinc/13/61/42/564136142.db2.gz HLUGACIVFAAJGK-GOSISDBHSA-N 0 0 333.362 3.983 50 30 EHEARN CCc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000013327295 564136199 /nfs/dbraw/zinc/13/61/99/564136199.db2.gz FENKWQWZSLAJIM-SECBINFHSA-N 0 0 329.425 3.856 50 30 EHEARN CC(=O)N1C[C@@H](CCC(=O)Nc2nc(C)ccc2O)c2ccccc21 ZINC000328588209 564136588 /nfs/dbraw/zinc/13/65/88/564136588.db2.gz ZLCLTRUSSKDCBB-CQSZACIVSA-N 0 0 339.395 3.614 50 30 EHEARN CC1(C)C[C@H](NC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)CCO1 ZINC000328592867 564136759 /nfs/dbraw/zinc/13/67/59/564136759.db2.gz PTNHHNNWLHDIDA-HZPDHXFCSA-N 0 0 327.428 3.846 50 30 EHEARN C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N(C)CCC#N ZINC000079030900 564137699 /nfs/dbraw/zinc/13/76/99/564137699.db2.gz NCZLRMILYTUHER-OAHLLOKOSA-N 0 0 348.406 3.523 50 30 EHEARN Cc1nc(SCC(=O)N2CC(C)(C)C2(C)C)c(C#N)c(C)c1C ZINC000079912839 564138352 /nfs/dbraw/zinc/13/83/52/564138352.db2.gz CWYNAGDORWHWBJ-UHFFFAOYSA-N 0 0 331.485 3.618 50 30 EHEARN Cc1onc(CC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1C#N ZINC000390835109 564138968 /nfs/dbraw/zinc/13/89/68/564138968.db2.gz CVZQJSQPSAWUOV-SFHVURJKSA-N 0 0 343.386 3.576 50 30 EHEARN COc1ccccc1/C=C/C=C/C(=O)c1cc2ccc([O-])cc2oc1=O ZINC000390834943 564138983 /nfs/dbraw/zinc/13/89/83/564138983.db2.gz UPPZXABGGYDQTN-JHMJBTLWSA-N 0 0 348.354 3.960 50 30 EHEARN Cc1ccc(N(CCC#N)C(=O)c2cnc([C@H]3CCCO3)s2)cc1 ZINC000095445139 564140554 /nfs/dbraw/zinc/14/05/54/564140554.db2.gz DEDVOODXFPAZHC-OAHLLOKOSA-N 0 0 341.436 3.864 50 30 EHEARN COCC1(C)CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000095459435 564140697 /nfs/dbraw/zinc/14/06/97/564140697.db2.gz KJYLKNRZDHUCJE-UHFFFAOYSA-N 0 0 331.366 3.638 50 30 EHEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(O)c(Cl)c1)C2 ZINC000095474701 564141357 /nfs/dbraw/zinc/14/13/57/564141357.db2.gz HVSZSXIMNUHYBA-XGICHPGQSA-N 0 0 330.767 3.885 50 30 EHEARN CCCCCCCCCCCCS[C@H]1CS(=O)(=O)C[C@H]1O ZINC000095870225 564141904 /nfs/dbraw/zinc/14/19/04/564141904.db2.gz AGKMSAQHASAIOF-CVEARBPZSA-N 0 0 336.563 3.798 50 30 EHEARN C[S@](=O)c1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000095944338 564142139 /nfs/dbraw/zinc/14/21/39/564142139.db2.gz SLIOVCFOVOHURD-HSZRJFAPSA-N 0 0 338.354 3.927 50 30 EHEARN COc1ccccc1C/C(C)=C\C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000096295255 564146530 /nfs/dbraw/zinc/14/65/30/564146530.db2.gz GVIIILAVXGZPRR-SSZFMOIBSA-N 0 0 334.419 3.714 50 30 EHEARN N#Cc1c(NC(=O)COc2ccccc2Cl)sc2c1CCC2 ZINC000002762948 564152477 /nfs/dbraw/zinc/15/24/77/564152477.db2.gz IOLWUYZMOVXGNQ-UHFFFAOYSA-N 0 0 332.812 3.779 50 30 EHEARN CC[C@H](Sc1nc(C)c(C)c(C)c1C#N)C(=O)Nc1cc(C)on1 ZINC000008729352 564167073 /nfs/dbraw/zinc/16/70/73/564167073.db2.gz CZLHOVHXEFGYAY-AWEZNQCLSA-N 0 0 344.440 3.684 50 30 EHEARN N#Cc1ccccc1CON=C(N)c1cccnc1Oc1ccccc1 ZINC000068877537 564167794 /nfs/dbraw/zinc/16/77/94/564167794.db2.gz XURLMYAWFFHHDC-UHFFFAOYSA-N 0 0 344.374 3.583 50 30 EHEARN Cc1nn(CC(=O)[C@H](C#N)c2nc3ccccc3s2)c(C)c1Cl ZINC000069568026 564170521 /nfs/dbraw/zinc/17/05/21/564170521.db2.gz RPSHCIDUVBMLJE-NSHDSACASA-N 0 0 344.827 3.640 50 30 EHEARN CN(C(=O)c1ccc(OCc2ccccc2)nc1)c1cccc(C#N)c1 ZINC000069698921 564171582 /nfs/dbraw/zinc/17/15/82/564171582.db2.gz UUPJDMORRHMZCS-UHFFFAOYSA-N 0 0 343.386 3.809 50 30 EHEARN N#C[C@@H](C(=O)c1csc(Br)c1)c1nc2ccccc2[nH]1 ZINC000041494466 564173977 /nfs/dbraw/zinc/17/39/77/564173977.db2.gz HZJZYOQWTAMCOV-VIFPVBQESA-N 0 0 346.209 3.877 50 30 EHEARN N#Cc1ccc(OCCNc2cc3c(cc2Cl)OCCCO3)cc1 ZINC000071848276 564175996 /nfs/dbraw/zinc/17/59/96/564175996.db2.gz HWWSSVOTFIZELC-UHFFFAOYSA-N 0 0 344.798 3.864 50 30 EHEARN CCc1nc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cs1 ZINC000078164484 564176907 /nfs/dbraw/zinc/17/69/07/564176907.db2.gz KSFBZUYAQDFKEW-UHFFFAOYSA-N 0 0 329.812 3.594 50 30 EHEARN N#Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1Cl ZINC000006527293 568414845 /nfs/dbraw/zinc/41/48/45/568414845.db2.gz XEHJTNDPVVBQTD-SOFGYWHQSA-N 0 0 327.727 3.772 50 30 EHEARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=Nc1ccc(N(C)C)cc1 ZINC000252637303 568422012 /nfs/dbraw/zinc/42/20/12/568422012.db2.gz XRQMSUMWFFFKQB-UHFFFAOYSA-N 0 0 334.423 3.865 50 30 EHEARN O=[N+]([O-])c1cc(N=Cc2ccccn2)ccc1N=Cc1ccccn1 ZINC000263629622 1019947433 /nfs/dbraw/zinc/94/74/33/1019947433.db2.gz FHKBFXPBYUHPFU-UHFFFAOYSA-N 0 0 331.335 3.886 50 30 EHEARN N#Cc1cc(NC(=O)/C=C\c2ccco2)ccc1OCC(F)(F)F ZINC000098007721 1021592033 /nfs/dbraw/zinc/59/20/33/1021592033.db2.gz CDESPLDPPVZJHR-XQRVVYSFSA-N 0 0 336.269 3.744 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@@](C)(C#N)C(C)C ZINC000084016941 1031319021 /nfs/dbraw/zinc/31/90/21/1031319021.db2.gz ICHBNRNGRVSFGF-SGWGQVFISA-N 0 0 336.439 3.557 50 30 EHEARN O=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000013563866 1033719881 /nfs/dbraw/zinc/71/98/81/1033719881.db2.gz KSWJKCPQPKSZQX-HCDAPJTOSA-N 0 0 343.839 3.806 50 30 EHEARN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1OCCc2ccccc21 ZINC000151306539 1036964844 /nfs/dbraw/zinc/96/48/44/1036964844.db2.gz DIFALOMMRLJXFI-HKBOAZHASA-N 0 0 346.430 3.599 50 30 EHEARN CCOc1c(OC)cc(/C=C2/OCc3ccccc3C2=O)cc1OC ZINC000585079744 1040315602 /nfs/dbraw/zinc/31/56/02/1040315602.db2.gz AKKXRNRVGIVLHW-CXUHLZMHSA-N 0 0 340.375 3.857 50 30 EHEARN FC(F)Oc1cccc(C=Nc2ccc(N3CCOCC3)cc2)c1 ZINC000254745936 1041152092 /nfs/dbraw/zinc/15/20/92/1041152092.db2.gz XNTBBZSCFAMHTM-UHFFFAOYSA-N 0 0 332.350 3.875 50 30 EHEARN N#C[C@@]1(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)CC12CCCC2 ZINC000333095638 1041725094 /nfs/dbraw/zinc/72/50/94/1041725094.db2.gz PCNZJQUKGLHSRM-QFBILLFUSA-N 0 0 344.842 3.794 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000033696303 1122990202 /nfs/dbraw/zinc/99/02/02/1122990202.db2.gz LZNFDNXMPWZRRW-BAQGIRSFSA-N 0 0 327.727 3.772 50 30 EHEARN Brc1ccc(/C=N/N=C/c2ccc(Br)o2)o1 ZINC000068561926 1123973068 /nfs/dbraw/zinc/97/30/68/1123973068.db2.gz GSRYRDSMIVHYKY-ACFHMISVSA-N 0 0 345.978 3.851 50 30 EHEARN Cc1cnc(-c2ccccc2)n1C1CN(Cc2cccc(C#N)c2)C1 ZINC000575551886 1131573111 /nfs/dbraw/zinc/57/31/11/1131573111.db2.gz YQHCTMMLYKUEKJ-UHFFFAOYSA-N 0 0 328.419 3.787 50 30 EHEARN N#Cc1ccc(-c2c(-c3ccccc3)ncn2CCn2ccnc2)cc1 ZINC000065376016 1132060627 /nfs/dbraw/zinc/06/06/27/1132060627.db2.gz UJTYMFZMASERJT-UHFFFAOYSA-N 0 0 339.402 3.985 50 30 EHEARN C#CCCC1(CCC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)N=N1 ZINC000952880782 1137483264 /nfs/dbraw/zinc/48/32/64/1137483264.db2.gz IHDUKMPHPQZJLU-STQMWFEESA-N 0 0 329.366 3.827 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)N=N1 ZINC000952879356 1137483267 /nfs/dbraw/zinc/48/32/67/1137483267.db2.gz DNIKQQBTJVIGBT-SWLSCSKDSA-N 0 0 333.794 3.807 50 30 EHEARN C#CCCC1(CCC(=O)N2CCCN(C)c3ccc(Cl)cc32)N=N1 ZINC000952880745 1137483283 /nfs/dbraw/zinc/48/32/83/1137483283.db2.gz LKTMTZOJKCECQH-UHFFFAOYSA-N 0 0 344.846 3.869 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1cccs1 ZINC000102358608 1137638863 /nfs/dbraw/zinc/63/88/63/1137638863.db2.gz JOPOESGJIFGXTQ-GZTJUZNOSA-N 0 0 341.432 3.786 50 30 EHEARN O=C(/C=C/c1c(F)cccc1F)c1ccc(N2CCCC2=O)cc1 ZINC000005335674 1138304451 /nfs/dbraw/zinc/30/44/51/1138304451.db2.gz NZKYVNZOALRQTQ-ZHACJKMWSA-N 0 0 327.330 3.988 50 30 EHEARN O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc2c(c1)OCCO2 ZINC000053102038 214164645 /nfs/dbraw/zinc/16/46/45/214164645.db2.gz MORQLGDXMUABBY-SOFGYWHQSA-N 0 0 344.370 3.811 50 30 EHEARN CC(=O)Oc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1 ZINC000004691514 210249302 /nfs/dbraw/zinc/24/93/02/210249302.db2.gz IRPJZSMQZKELRN-WJDWOHSUSA-N 0 0 338.388 3.504 50 30 EHEARN CCSCc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1 ZINC000058190906 214497220 /nfs/dbraw/zinc/49/72/20/214497220.db2.gz OVJRYHYDVASLFB-UHFFFAOYSA-N 0 0 328.441 3.611 50 30 EHEARN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](C)S2)cc1 ZINC000097967899 219065994 /nfs/dbraw/zinc/06/59/94/219065994.db2.gz ZRHYXKCBTZHXRL-ITRAFESCSA-N 0 0 347.484 3.977 50 30 EHEARN CCCCCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000098045556 219073308 /nfs/dbraw/zinc/07/33/08/219073308.db2.gz FOZFRHNJBCARBP-UHFFFAOYSA-N 0 0 326.481 3.720 50 30 EHEARN N#Cc1cc(Oc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1C#N ZINC000004593347 210228507 /nfs/dbraw/zinc/22/85/07/210228507.db2.gz SYJJXEBMOWZKQQ-UHFFFAOYSA-N 0 0 344.670 3.692 50 30 EHEARN O=C(Cc1nc2ccccc2oc1=O)c1ccc(Br)cc1 ZINC000100055071 219090187 /nfs/dbraw/zinc/09/01/87/219090187.db2.gz FTIXRAOPJQQYIK-UKTHLTGXSA-N 0 0 344.164 3.547 50 30 EHEARN CCOC(=O)c1cc(C#N)c(SCc2ccc(C#N)cc2)nc1C ZINC000004162262 210135841 /nfs/dbraw/zinc/13/58/41/210135841.db2.gz ARCZVGSSHYDAMC-UHFFFAOYSA-N 0 0 337.404 3.602 50 30 EHEARN CCCc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004144542 210132475 /nfs/dbraw/zinc/13/24/75/210132475.db2.gz OZTWIHOLRDSVRO-XDJHFCHBSA-N 0 0 330.453 3.650 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004033311 210104770 /nfs/dbraw/zinc/10/47/70/210104770.db2.gz SOECKLMVHIYVGS-KRWDZBQOSA-N 0 0 343.430 3.807 50 30 EHEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000102599556 219213502 /nfs/dbraw/zinc/21/35/02/219213502.db2.gz GQJDMZSQIKCNMM-GHNGSUTGSA-N 0 0 335.403 3.908 50 30 EHEARN N#Cc1cccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000003406646 210029582 /nfs/dbraw/zinc/02/95/82/210029582.db2.gz SRTZRPLYMLVDJT-UHFFFAOYSA-N 0 0 348.427 3.626 50 30 EHEARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000003387497 210025422 /nfs/dbraw/zinc/02/54/22/210025422.db2.gz XXJQAYSUFKFBFD-LLVKDONJSA-N 0 0 330.771 3.626 50 30 EHEARN N#CCCn1cc(C(=O)Nc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000003355971 210015986 /nfs/dbraw/zinc/01/59/86/210015986.db2.gz YLCZOESRQJTSQQ-UHFFFAOYSA-N 0 0 334.354 3.855 50 30 EHEARN N#Cc1c(N)nc(-c2ccc(Cl)cc2)cc1-c1ccc(O)c(O)c1 ZINC000067784587 215210641 /nfs/dbraw/zinc/21/06/41/215210641.db2.gz JFGGYUDGKYPCAV-UHFFFAOYSA-N 0 0 337.766 3.934 50 30 EHEARN Cc1cc(C)c(C#N)c(N2Cc3cnc(-c4ccccc4)nc3C2)n1 ZINC000067852071 215231920 /nfs/dbraw/zinc/23/19/20/215231920.db2.gz AXPKRGGEAUPEMF-UHFFFAOYSA-N 0 0 327.391 3.547 50 30 EHEARN COc1ccc(C)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000002750890 209902035 /nfs/dbraw/zinc/90/20/35/209902035.db2.gz FBOQAMQALHTJMU-UHFFFAOYSA-N 0 0 333.203 3.775 50 30 EHEARN CCOC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CCC2 ZINC000002229938 209831587 /nfs/dbraw/zinc/83/15/87/209831587.db2.gz JELSNNUYZGGWKS-VXLYETTFSA-N 0 0 345.420 3.878 50 30 EHEARN CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1C(F)(F)F ZINC000069388593 215397806 /nfs/dbraw/zinc/39/78/06/215397806.db2.gz VTTCBRBLRSBOKK-UHFFFAOYSA-N 0 0 332.325 3.778 50 30 EHEARN C=CCn1c(SCC#N)nc2scc(-c3ccccc3)c2c1=O ZINC000001811328 209797591 /nfs/dbraw/zinc/79/75/91/209797591.db2.gz HCZCUIYQRYPZTR-UHFFFAOYSA-N 0 0 339.445 3.927 50 30 EHEARN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(C#N)cc1 ZINC000040108466 213267064 /nfs/dbraw/zinc/26/70/64/213267064.db2.gz UPJCFQTYEBGFMN-LBPRGKRZSA-N 0 0 343.224 3.682 50 30 EHEARN COc1ccc(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000040049492 213254139 /nfs/dbraw/zinc/25/41/39/213254139.db2.gz HJKGFDDMWNOYFZ-UHFFFAOYSA-N 0 0 342.398 3.671 50 30 EHEARN N#Cc1cccc(NC(=O)CSCCOc2ccc(Cl)cc2)c1 ZINC000033230000 212907923 /nfs/dbraw/zinc/90/79/23/212907923.db2.gz IKZQHRCNNQLXPR-UHFFFAOYSA-N 0 0 346.839 3.962 50 30 EHEARN CN(CC#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000072072158 216003314 /nfs/dbraw/zinc/00/33/14/216003314.db2.gz OSUHHQNTESBMQH-UHFFFAOYSA-N 0 0 326.208 3.712 50 30 EHEARN N#Cc1ccccc1N1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC000072277257 216103546 /nfs/dbraw/zinc/10/35/46/216103546.db2.gz VUFHQWGURCUGEE-UHFFFAOYSA-N 0 0 347.462 3.666 50 30 EHEARN COC(=O)[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000000377639 209558791 /nfs/dbraw/zinc/55/87/91/209558791.db2.gz UGVWCRGXTAGQCI-KRWDZBQOSA-N 0 0 338.432 3.838 50 30 EHEARN N#Cc1c(N2CCOCC2)nsc1-c1ccc(C(F)(F)F)cc1 ZINC000000108652 209425915 /nfs/dbraw/zinc/42/59/15/209425915.db2.gz QTRMOWXXRJRVJV-UHFFFAOYSA-N 0 0 339.342 3.537 50 30 EHEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl ZINC000000045607 209387938 /nfs/dbraw/zinc/38/79/38/209387938.db2.gz ATAZCTLDJCYJFD-UHFFFAOYSA-N 0 0 341.798 3.817 50 30 EHEARN N#CCOc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000023150841 212356175 /nfs/dbraw/zinc/35/61/75/212356175.db2.gz FELSLJCSYFGUOT-UHFFFAOYSA-N 0 0 345.196 3.533 50 30 EHEARN N#Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1 ZINC000021106166 212207528 /nfs/dbraw/zinc/20/75/28/212207528.db2.gz KDXIEEDXAJZVJK-GOSISDBHSA-N 0 0 346.415 3.781 50 30 EHEARN Cc1nc(Cn2ccc(-c3cccc(-c4ccccc4C#N)c3)n2)no1 ZINC000019148417 212001518 /nfs/dbraw/zinc/00/15/18/212001518.db2.gz SLHRFZSQCFVVDL-UHFFFAOYSA-N 0 0 341.374 3.829 50 30 EHEARN C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OC)c1O ZINC000017193808 211958979 /nfs/dbraw/zinc/95/89/79/211958979.db2.gz SUAXLFAOOACHBY-NTEUORMPSA-N 0 0 333.409 3.574 50 30 EHEARN C=CCn1c(C)c(C(=O)OCCOC)c2cc(O)c3ccccc3c21 ZINC000013564622 211580435 /nfs/dbraw/zinc/58/04/35/211580435.db2.gz QVCUAAUUFSZRSI-UHFFFAOYSA-N 0 0 339.391 3.798 50 30 EHEARN CN1C/C(=C\c2ccccc2F)C(=O)/C(=C\c2ccccc2F)C1 ZINC000013303123 211542538 /nfs/dbraw/zinc/54/25/38/211542538.db2.gz IQMGGVXXZOIZMN-VRNBXGKJSA-N 0 0 325.358 3.946 50 30 EHEARN Cc1sc(NC(=O)c2cncc(Br)c2)c(C#N)c1C ZINC000013012161 211512642 /nfs/dbraw/zinc/51/26/42/211512642.db2.gz RQBOIFGXJQUJLK-UHFFFAOYSA-N 0 0 336.214 3.646 50 30 EHEARN Cc1sc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c(C#N)c1C ZINC000012647821 211429220 /nfs/dbraw/zinc/42/92/20/211429220.db2.gz CGOAKYHVUYMKFB-AWEZNQCLSA-N 0 0 332.812 3.832 50 30 EHEARN C=CCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000012437310 211381218 /nfs/dbraw/zinc/38/12/18/211381218.db2.gz ZXISPOCYBMPBEJ-SSZFMOIBSA-N 0 0 328.437 3.708 50 30 EHEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1 ZINC000012364083 211355752 /nfs/dbraw/zinc/35/57/52/211355752.db2.gz LSICYZSYPLJLKI-JAIQZWGSSA-N 0 0 335.367 3.843 50 30 EHEARN COc1ccc([C@H]2NC(=O)N(C)C=C2C(=O)C=Cc2ccccc2)cc1 ZINC000012296974 211334905 /nfs/dbraw/zinc/33/49/05/211334905.db2.gz IQGPXEGPDOCZEW-ZTVSIKPCSA-N 0 0 348.402 3.558 50 30 biogenic EHEARN N#Cc1ccc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cn1 ZINC000091476625 218011847 /nfs/dbraw/zinc/01/18/47/218011847.db2.gz CXLDXDLISLUWNZ-MRXNPFEDSA-N 0 0 325.437 3.642 50 30 EHEARN C=C(C)COc1ccccc1C(=O)Nc1ccc(OCCOC)cc1 ZINC000009877918 211130500 /nfs/dbraw/zinc/13/05/00/211130500.db2.gz QSWNZFBQUWBIIT-UHFFFAOYSA-N 0 0 341.407 3.919 50 30 EHEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccco3)C2)cc1 ZINC000009332006 211069312 /nfs/dbraw/zinc/06/93/12/211069312.db2.gz JORCBYHFMULZJL-KUHUBIRLSA-N 0 0 346.390 3.595 50 30 EHEARN C=CCn1c(SCc2ccccn2)nc2sc(C)c(C)c2c1=O ZINC000009112648 211039847 /nfs/dbraw/zinc/03/98/47/211039847.db2.gz QVXRXYYMYMAGJP-UHFFFAOYSA-N 0 0 343.477 3.948 50 30 EHEARN COc1cc(COc2ccccc2C#N)c(OC)cc1Br ZINC000008849740 211011341 /nfs/dbraw/zinc/01/13/41/211011341.db2.gz SZZPTMWJZBVNOG-UHFFFAOYSA-N 0 0 348.196 3.917 50 30 EHEARN N#Cc1ccc(Oc2cccc(NCc3nnc(C4CC4)o3)c2)nc1 ZINC000095409885 218346611 /nfs/dbraw/zinc/34/66/11/218346611.db2.gz FRPTYNXVMUIJIQ-UHFFFAOYSA-N 0 0 333.351 3.618 50 30 EHEARN N#Cc1c(Cl)csc1NC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000095450507 218394318 /nfs/dbraw/zinc/39/43/18/218394318.db2.gz WRWREKNEYCVDSU-UHFFFAOYSA-N 0 0 342.811 3.640 50 30 EHEARN C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000006974776 210750573 /nfs/dbraw/zinc/75/05/73/210750573.db2.gz YQXKSQPKZJJGIF-FZMZJTMJSA-N 0 0 348.859 3.782 50 30 EHEARN CCO[C@H](C)c1nc(CSc2nc(C)nc(C)c2C#N)cs1 ZINC000096418328 218781358 /nfs/dbraw/zinc/78/13/58/218781358.db2.gz KYVGOLIFHHRERX-SNVBAGLBSA-N 0 0 334.470 3.811 50 30 EHEARN COc1cc(C#N)ccc1OCCOc1cccc(Br)c1 ZINC000005441981 210464276 /nfs/dbraw/zinc/46/42/76/210464276.db2.gz OHDHCNWWYLZALY-UHFFFAOYSA-N 0 0 348.196 3.787 50 30 EHEARN N#Cc1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000096843535 218893601 /nfs/dbraw/zinc/89/36/01/218893601.db2.gz SNXDCXQLKFBHOD-UTCJRWHESA-N 0 0 325.751 3.879 50 30 EHEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)c1C ZINC000005376370 210451347 /nfs/dbraw/zinc/45/13/47/210451347.db2.gz USTZKVKLINTJHZ-SXGWCWSVSA-N 0 0 340.404 3.606 50 30 EHEARN CSc1ccccc1-c1nnc(NC(=O)c2ccc(C#N)cc2)o1 ZINC000005240172 210422021 /nfs/dbraw/zinc/42/20/21/210422021.db2.gz PNMXRTGHRUWKHG-UHFFFAOYSA-N 0 0 336.376 3.582 50 30 EHEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000005022722 210365768 /nfs/dbraw/zinc/36/57/68/210365768.db2.gz XOJSHAYOLSFRMM-QPJJXVBHSA-N 0 0 343.335 3.517 50 30 EHEARN C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O ZINC000004943153 210334157 /nfs/dbraw/zinc/33/41/57/210334157.db2.gz AFRVVDXVYRJARR-SFHVURJKSA-N 0 0 345.446 3.895 50 30 EHEARN CCOc1ccc(C(C)N=Nc2nn3cnnc3c3ccccc32)cc1 ZINC000004878506 210310666 /nfs/dbraw/zinc/31/06/66/210310666.db2.gz QTRDIBOKXFPMPU-BKUYFWCQSA-N 0 0 346.394 3.512 50 30 EHEARN C[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004902077 210317122 /nfs/dbraw/zinc/31/71/22/210317122.db2.gz OPKYFZMKAXOIAK-QMNVRMOGSA-N 0 0 341.411 3.680 50 30 EHEARN Cc1ccc(NC(=NS(=O)(=O)c2ccccc2)C(F)(F)F)cc1 ZINC000004881200 210311828 /nfs/dbraw/zinc/31/18/28/210311828.db2.gz VGRPHZXGVLCNEM-UHFFFAOYSA-N 0 0 342.342 3.757 50 30 EHEARN S=C1N=NC(COc2ccccc2)N1N=Cc1ccccc1Cl ZINC000004865771 210304913 /nfs/dbraw/zinc/30/49/13/210304913.db2.gz ZSYQPNBYULRACU-VCHYOVAHSA-N 0 0 344.827 3.681 50 30 EHEARN CCOC(=O)c1sc(NC(=O)c2ccc(CC)cc2)c(C#N)c1C ZINC000004842863 210295652 /nfs/dbraw/zinc/29/56/52/210295652.db2.gz TWGSVBRFYCHULC-UHFFFAOYSA-N 0 0 342.420 3.920 50 30 EHEARN C=CCOc1ccc(C(=O)n2cc(C(=O)OC)c3ccccc32)cc1 ZINC000004841491 210295662 /nfs/dbraw/zinc/29/56/62/210295662.db2.gz URCDSLPBSAXEBD-UHFFFAOYSA-N 0 0 335.359 3.681 50 30 EHEARN N#Cc1cccc(OCc2cccc(I)c2)c1 ZINC000004808602 210281874 /nfs/dbraw/zinc/28/18/74/210281874.db2.gz BYJXMYMAIGFBRF-UHFFFAOYSA-N 0 0 335.144 3.742 50 30 EHEARN N#Cc1ccc(OCc2ccccc2I)cc1 ZINC000004809052 210281921 /nfs/dbraw/zinc/28/19/21/210281921.db2.gz SWSFIKIDOSDXDV-UHFFFAOYSA-N 0 0 335.144 3.742 50 30 EHEARN C=C(C)n1c2ccccc2n(Cc2nc3ccccc3nc2C)c1=O ZINC000004784290 210276377 /nfs/dbraw/zinc/27/63/77/210276377.db2.gz IHUIEZVYKSQYOX-UHFFFAOYSA-N 0 0 330.391 3.594 50 30 EHEARN N#Cc1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cn1 ZINC000267370459 257943060 /nfs/dbraw/zinc/94/30/60/257943060.db2.gz JSFJKVBBNUXRJD-GOSISDBHSA-N 0 0 327.815 3.557 50 30 EHEARN Cc1nnccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000328596497 258042554 /nfs/dbraw/zinc/04/25/54/258042554.db2.gz WXQULWXYWHYBTB-UHFFFAOYSA-N 0 0 345.815 3.517 50 30 EHEARN C=CCSc1ncc(Cl)c(C(=O)NCc2ccc(C)cc2)n1 ZINC000006748035 258044273 /nfs/dbraw/zinc/04/42/73/258044273.db2.gz ARJMFNBZYMCOAS-UHFFFAOYSA-N 0 0 333.844 3.647 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C ZINC000257346271 258073666 /nfs/dbraw/zinc/07/36/66/258073666.db2.gz XDMKIFRLARGPLV-BBWPAUBXSA-N 0 0 328.452 3.903 50 30 EHEARN Cc1nc([C@H](C)N(C)C(=O)Nc2ccc(C#N)cc2F)c(C)s1 ZINC000299756944 258074598 /nfs/dbraw/zinc/07/45/98/258074598.db2.gz DYENMUUBGKNUPP-VIFPVBQESA-N 0 0 332.404 3.996 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1NCc1nc(-c2cccs2)c[nH]1 ZINC000170619610 226661813 /nfs/dbraw/zinc/66/18/13/226661813.db2.gz VPCHXCZGXNQYPJ-UHFFFAOYSA-N 0 0 325.353 3.530 50 30 EHEARN C#CCn1c2ccccc2nc1SCCOc1ccc(OC)cc1 ZINC000012539280 518345523 /nfs/dbraw/zinc/34/55/23/518345523.db2.gz RNCJKGYMMXDRGO-UHFFFAOYSA-N 0 0 338.432 3.849 50 30 EHEARN C=C(C)COc1ccc(C(=O)NCc2cc(-c3ccccn3)no2)cc1 ZINC000055325363 518612988 /nfs/dbraw/zinc/61/29/88/518612988.db2.gz JZAVGOQXHCDKGM-UHFFFAOYSA-N 0 0 349.390 3.622 50 30 EHEARN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000015071998 518693923 /nfs/dbraw/zinc/69/39/23/518693923.db2.gz FJSRDXPHUYBHCK-OAQYLSRUSA-N 0 0 346.515 3.764 50 30 EHEARN C=CCc1ccc(OCCOc2ccc(C=O)cc2OC)c(OC)c1 ZINC000002991208 519138348 /nfs/dbraw/zinc/13/83/48/519138348.db2.gz ZSORANDOPPKLTE-UHFFFAOYSA-N 0 0 342.391 3.703 50 30 EHEARN C=CCn1c(C)cc(C(=O)COc2ccc3ccc(=O)oc3c2)c1C ZINC000003493738 519169012 /nfs/dbraw/zinc/16/90/12/519169012.db2.gz MTRHOUNQGPVRFR-UHFFFAOYSA-N 0 0 337.375 3.659 50 30 EHEARN C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)NCc1ccco1 ZINC000036396260 519268949 /nfs/dbraw/zinc/26/89/49/519268949.db2.gz OWKWFDLEUUQVSX-ZDUSSCGKSA-N 0 0 341.436 3.612 50 30 EHEARN CCCCCCCCOC(=O)c1sc2nc(N)c(C#N)cc2c1N ZINC000033353626 520041951 /nfs/dbraw/zinc/04/19/51/520041951.db2.gz JJCVALVGDACFQK-UHFFFAOYSA-N 0 0 346.456 3.850 50 30 EHEARN CCCCSc1nnc(C(F)F)n1/N=C/c1ccccc1OC ZINC000013961084 520977918 /nfs/dbraw/zinc/97/79/18/520977918.db2.gz JKUWVBQFRJYMSK-VCHYOVAHSA-N 0 0 340.399 3.999 50 30 EHEARN CC[C@H](C(=O)[C@@H](C#N)c1nccn1CC(F)(F)F)c1ccccc1 ZINC000071913663 523816546 /nfs/dbraw/zinc/81/65/46/523816546.db2.gz YSEBXNYUSARLGJ-UONOGXRCSA-N 0 0 335.329 3.815 50 30 EHEARN COc1ccccc1C=NN=c1cc(C)[nH]c(NCc2ccccc2)n1 ZINC000004811308 524325638 /nfs/dbraw/zinc/32/56/38/524325638.db2.gz BCFFXLOBBYKZJT-HYARGMPZSA-N 0 0 347.422 3.852 50 30 EHEARN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2ccsc2)c1 ZINC000012867398 524408246 /nfs/dbraw/zinc/40/82/46/524408246.db2.gz CUOIKXDWBUQQGO-UHFFFAOYSA-N 0 0 341.480 3.744 50 30 EHEARN Cc1cccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)c1 ZINC000000459414 524752279 /nfs/dbraw/zinc/75/22/79/524752279.db2.gz FHHDRQVLZACATD-FSJBWODESA-N 0 0 345.406 3.502 50 30 EHEARN Cc1cc(C(=O)CON=C(N)c2ccc(Cl)cc2)c(C)n1C1CC1 ZINC000022183590 526209675 /nfs/dbraw/zinc/20/96/75/526209675.db2.gz LIUNTFYFBPNAQC-UHFFFAOYSA-N 0 0 345.830 3.613 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)c1csc(-c2ccco2)n1 ZINC000058210936 526459522 /nfs/dbraw/zinc/45/95/22/526459522.db2.gz ZUJODLCLCBDBLR-UHFFFAOYSA-N 0 0 327.365 3.552 50 30 EHEARN N#CCOC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000003424130 526473657 /nfs/dbraw/zinc/47/36/57/526473657.db2.gz OPUMQTUKTWOGEZ-CMDGGOBGSA-N 0 0 349.415 3.740 50 30 EHEARN N#CCc1ccc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000096433898 526483465 /nfs/dbraw/zinc/48/34/65/526483465.db2.gz MMSMVWGVBZWVIM-IBGZPJMESA-N 0 0 349.434 3.823 50 30 EHEARN N=C(NOC(=O)CC1CCCCC1)c1ccc(Br)cc1 ZINC000004977838 526806011 /nfs/dbraw/zinc/80/60/11/526806011.db2.gz VVKLCIOOTOFDSV-UHFFFAOYSA-N 0 0 339.233 3.583 50 30 EHEARN N#CCCN(CCC#N)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000180165101 564012919 /nfs/dbraw/zinc/01/29/19/564012919.db2.gz NOUWBSRSJMGSBI-UHFFFAOYSA-N 0 0 329.709 3.628 50 30 EHEARN N#CCc1cc(Br)c(OC(F)F)cc1Br ZINC000263623498 564056460 /nfs/dbraw/zinc/05/64/60/564056460.db2.gz HZAZDMQPVFEXGS-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN FC(F)(F)c1ccccc1/C=N/N1CCN(c2ccccc2)CC1 ZINC000000136452 563240591 /nfs/dbraw/zinc/24/05/91/563240591.db2.gz GGOXFMUVLWGXAA-HYARGMPZSA-N 0 0 333.357 3.862 50 30 EHEARN CC(=O)ON1[C@@H](c2ccc(F)cc2)N=C(c2ccccc2)C1(C)C ZINC000000275583 563270679 /nfs/dbraw/zinc/27/06/79/563270679.db2.gz GRNHNEJADQFBGR-SFHVURJKSA-N 0 0 326.371 3.886 50 30 EHEARN NC(=O)COc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000000561172 563347395 /nfs/dbraw/zinc/34/73/95/563347395.db2.gz RYHBEQVMQSMGMM-OEAKJJBVSA-N 0 0 330.387 3.968 50 30 EHEARN CCC1CC(=O)C(=CNc2ccc(OC(F)(F)F)cc2)C(=O)C1 ZINC000002549989 563440532 /nfs/dbraw/zinc/44/05/32/563440532.db2.gz CLOGEQMDSVVBKJ-UHFFFAOYSA-N 0 0 327.302 3.839 50 30 EHEARN COc1ccc(-n2c(SCC#N)nnc2-c2cccs2)cc1 ZINC000002671182 563445596 /nfs/dbraw/zinc/44/55/96/563445596.db2.gz PUROWJMFNHBARE-UHFFFAOYSA-N 0 0 328.422 3.620 50 30 EHEARN Cc1cc2c(c(Br)c1)N(C)C(=O)C2=NNc1ccccc1 ZINC000005277140 563525292 /nfs/dbraw/zinc/52/52/92/563525292.db2.gz BXOWYWFRKLMXBM-RGEXLXHISA-N 0 0 344.212 3.550 50 30 EHEARN O=C1C[C@H](c2ccccc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006819469 563587341 /nfs/dbraw/zinc/58/73/41/563587341.db2.gz BTNZQCZAXJRXJY-DOTOQJQBSA-N 0 0 335.378 3.830 50 30 EHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2)cc1 ZINC000006819628 563587897 /nfs/dbraw/zinc/58/78/97/563587897.db2.gz LVLYLYNABJIPKF-SJLPKXTDSA-N 0 0 347.414 3.700 50 30 EHEARN CC(C)c1ccc(OCC(=O)ONC(=N)c2ccc(Cl)cc2)cc1 ZINC000008573258 563633023 /nfs/dbraw/zinc/63/30/23/563633023.db2.gz WHSXDTBDLUIPJI-UHFFFAOYSA-N 0 0 346.814 3.706 50 30 EHEARN Cc1cccc2c1ncc(C#N)c2NCc1ccc(-n2ccnc2)nc1 ZINC000071922418 563648355 /nfs/dbraw/zinc/64/83/55/563648355.db2.gz DJAQOKBERINUBB-UHFFFAOYSA-N 0 0 340.390 3.608 50 30 EHEARN CCN(Cc1cn2ccccc2c1C#N)Cc1ccc2c(c1)OCO2 ZINC000032825248 563756348 /nfs/dbraw/zinc/75/63/48/563756348.db2.gz XHAYLODXNGLWHV-UHFFFAOYSA-N 0 0 333.391 3.562 50 30 EHEARN CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S1 ZINC000015015592 563772284 /nfs/dbraw/zinc/77/22/84/563772284.db2.gz GEORUHYSSJSIQR-ZSOIEALJSA-N 0 0 346.795 3.706 50 30 EHEARN O=C(/N=C1/NC(=O)CS1)N1c2ccccc2Sc2ccccc21 ZINC000017147667 563838553 /nfs/dbraw/zinc/83/85/53/563838553.db2.gz BFBNDVZJZQCLFD-UHFFFAOYSA-N 0 0 341.417 3.628 50 30 aggregator EHEARN CSc1ccc(-c2nnc(NC(=O)c3ccc(C#N)cc3)o2)cc1 ZINC000005240350 563861581 /nfs/dbraw/zinc/86/15/81/563861581.db2.gz LIKNDXPCQFXEPX-UHFFFAOYSA-N 0 0 336.376 3.582 50 30 EHEARN Cc1nc2cc(NC(=O)CSCC#N)ccc2n1-c1ccccc1 ZINC000032947106 563864090 /nfs/dbraw/zinc/86/40/90/563864090.db2.gz FVZFWGVLAWVPHW-UHFFFAOYSA-N 0 0 336.420 3.529 50 30 EHEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccncc1 ZINC000013691902 563931885 /nfs/dbraw/zinc/93/18/85/563931885.db2.gz RUJIWHKZUHDALF-YVLHZVERSA-N 0 0 333.299 3.510 50 30 EHEARN CCOc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)c(OCC)c1 ZINC000000094465 563976632 /nfs/dbraw/zinc/97/66/32/563976632.db2.gz FDPKUOHTXRHFNL-SFQUDFHCSA-N 0 0 337.375 3.829 50 30 EHEARN CCn1cc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c2ccccc21 ZINC000071765161 563983034 /nfs/dbraw/zinc/98/30/34/563983034.db2.gz UJSMPCNLSFKOOH-UHFFFAOYSA-N 0 0 342.406 3.578 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(O)c(O)c1)CSc1ccccc1-2 ZINC000071757300 563983042 /nfs/dbraw/zinc/98/30/42/563983042.db2.gz KHMNQGFAUJZGDI-UHFFFAOYSA-N 0 0 347.399 3.886 50 30 EHEARN C[C@H]1SCc2c1nc(N)c(C#N)c2-c1cccn1-c1ccccn1 ZINC000071764178 563983057 /nfs/dbraw/zinc/98/30/57/563983057.db2.gz YDLVHLZKSDNDEK-LLVKDONJSA-N 0 0 333.420 3.696 50 30 EHEARN N#CCOc1ccc(NC(=O)CCOc2ccc(F)cc2Cl)cc1 ZINC000044328654 563995105 /nfs/dbraw/zinc/99/51/05/563995105.db2.gz OVIOMOKPAMUYTO-UHFFFAOYSA-N 0 0 348.761 3.789 50 30 EHEARN CN(C(=O)c1cccc([C@H]2CCOC2)c1)c1cc(Cl)ccc1C#N ZINC000270631031 563999262 /nfs/dbraw/zinc/99/92/62/563999262.db2.gz IRIDMGHIRGKZRI-INIZCTEOSA-N 0 0 340.810 3.992 50 30 EHEARN N#Cc1ccc(COc2cccc(I)c2)cc1 ZINC000005407795 564003722 /nfs/dbraw/zinc/00/37/22/564003722.db2.gz FWEBTWPISLRHCO-UHFFFAOYSA-N 0 0 335.144 3.742 50 30 EHEARN COc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196867 564018696 /nfs/dbraw/zinc/01/86/96/564018696.db2.gz BHLCKLHOIZYLPL-HXUWFJFHSA-N 0 0 349.386 3.988 50 30 EHEARN CSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(C)ccc2C)o1 ZINC000101093347 564018819 /nfs/dbraw/zinc/01/88/19/564018819.db2.gz LSQAXXZHKNTTAV-GFCCVEGCSA-N 0 0 328.393 3.580 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@@H]1C=CCC1 ZINC000103259837 564021972 /nfs/dbraw/zinc/02/19/72/564021972.db2.gz IUUXBWWTOBBHDH-OLZOCXBDSA-N 0 0 346.814 3.661 50 30 EHEARN CCCOc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)cc2)c1 ZINC000103307578 564022079 /nfs/dbraw/zinc/02/20/79/564022079.db2.gz DKPUMHVVEMFMSR-KRWDZBQOSA-N 0 0 340.354 3.576 50 30 EHEARN CCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2C)c1 ZINC000103556936 564022812 /nfs/dbraw/zinc/02/28/12/564022812.db2.gz NGDYELKEBYDCMX-QGZVFWFLSA-N 0 0 336.391 3.663 50 30 EHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1cccc(Cl)c1 ZINC000104257435 564023823 /nfs/dbraw/zinc/02/38/23/564023823.db2.gz ZFEKENXNQFRTQQ-ZBTGYSDGSA-N 0 0 330.815 3.511 50 30 EHEARN Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 ZINC000047168486 564025801 /nfs/dbraw/zinc/02/58/01/564025801.db2.gz VAWRSFDGIONBFT-BJMVGYQFSA-N 0 0 334.375 3.601 50 30 EHEARN N#Cc1c(Cl)nsc1NCc1ccccc1Cn1cccn1 ZINC000047405390 564026286 /nfs/dbraw/zinc/02/62/86/564026286.db2.gz VNQKRJSWFHSHAR-UHFFFAOYSA-N 0 0 329.816 3.525 50 30 EHEARN COCCn1ccc2c1cccc2NC(=O)c1ccc(N=[N+]=[N-])nc1 ZINC000108515064 564028316 /nfs/dbraw/zinc/02/83/16/564028316.db2.gz QHIAFAUDSPQYOY-UHFFFAOYSA-N 0 0 336.355 3.877 50 30 EHEARN N#Cc1ccc(CS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000045296593 564028360 /nfs/dbraw/zinc/02/83/60/564028360.db2.gz WVSNABDBZNZWFP-UHFFFAOYSA-N 0 0 340.231 3.980 50 30 EHEARN Cc1cc2ccccc2n1CC(=O)OCc1cn2ccccc2c1C#N ZINC000048314648 564030867 /nfs/dbraw/zinc/03/08/67/564030867.db2.gz FVTOQWZRTWAXKV-UHFFFAOYSA-N 0 0 343.386 3.818 50 30 EHEARN Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(Br)ccc1F ZINC000049151572 564032680 /nfs/dbraw/zinc/03/26/80/564032680.db2.gz QWUQMQXMCOODCJ-QPJJXVBHSA-N 0 0 337.192 3.835 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)[C@H](C#N)c1ccccn1 ZINC000049456370 564032757 /nfs/dbraw/zinc/03/27/57/564032757.db2.gz DXKRZPRKSDKROW-TZZQJPOUSA-N 0 0 342.402 3.774 50 30 EHEARN C=C(C)Cn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006014790 564057595 /nfs/dbraw/zinc/05/75/95/564057595.db2.gz AKFWIPYHSDYXBS-UHFFFAOYSA-N 0 0 325.456 3.851 50 30 EHEARN Cc1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccccc1C ZINC000012533757 564058330 /nfs/dbraw/zinc/05/83/30/564058330.db2.gz HXXOBFZIRPQJDI-UHFFFAOYSA-N 0 0 348.431 3.731 50 30 EHEARN CC(=O)c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)s1 ZINC000012546144 564058875 /nfs/dbraw/zinc/05/88/75/564058875.db2.gz CBMBNXXCKUWMJN-UHFFFAOYSA-N 0 0 346.411 3.998 50 30 EHEARN N#C[C@@H](NC(=O)c1ccc(-c2cscn2)cc1)c1ccccc1F ZINC000087279528 564068615 /nfs/dbraw/zinc/06/86/15/564068615.db2.gz IEOHKOURBNIBCK-MRXNPFEDSA-N 0 0 337.379 3.944 50 30 EHEARN C[C@@H](OC(=O)C1CCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000015706925 564070900 /nfs/dbraw/zinc/07/09/00/564070900.db2.gz NVRHLEIAYDDSRG-LLVKDONJSA-N 0 0 346.452 3.559 50 30 EHEARN Cc1c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)[nH]c2c1C(=O)CCC2 ZINC000063667664 564074023 /nfs/dbraw/zinc/07/40/23/564074023.db2.gz KKINCWSOXSQMOP-UHFFFAOYSA-N 0 0 349.434 3.765 50 30 EHEARN C=CCn1c(C)nn(CN2CCC[C@@H]2c2ccc(OC)cc2)c1=S ZINC000014197170 564074104 /nfs/dbraw/zinc/07/41/04/564074104.db2.gz IDSINAMMDWOVTQ-QGZVFWFLSA-N 0 0 344.484 3.712 50 30 EHEARN C=CCNc1nc(N)c(C(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000002379971 564074837 /nfs/dbraw/zinc/07/48/37/564074837.db2.gz UNSHTGCZXSYQJR-UHFFFAOYSA-N 0 0 327.331 3.573 50 30 EHEARN O=C(Nc1cccc2ccccc21)ON1C(=O)c2ccccc2C1=O ZINC000000397520 564075914 /nfs/dbraw/zinc/07/59/14/564075914.db2.gz HGGVRJFPGZFJKD-UHFFFAOYSA-N 0 0 332.315 3.600 50 30 EHEARN N#Cc1cccc(CSc2nnc(C3CC3)n2Cc2ccco2)c1 ZINC000012918828 564078138 /nfs/dbraw/zinc/07/81/38/564078138.db2.gz LNCBZASYUSRKNP-UHFFFAOYSA-N 0 0 336.420 3.961 50 30 EHEARN N#Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1 ZINC000016027960 564079397 /nfs/dbraw/zinc/07/93/97/564079397.db2.gz QTGXPNWUGXODMH-BJMVGYQFSA-N 0 0 327.181 3.973 50 30 EHEARN CCN(CCC#N)C(=O)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC000295127005 564081624 /nfs/dbraw/zinc/08/16/24/564081624.db2.gz NCSKMEHMZNRICQ-UHFFFAOYSA-N 0 0 336.367 3.541 50 30 EHEARN N#Cc1ccc(Cl)cc1NCc1ccc(CN2CCCC2=O)cc1 ZINC000265504726 564081678 /nfs/dbraw/zinc/08/16/78/564081678.db2.gz IZLYVRYSSJNOFQ-UHFFFAOYSA-N 0 0 339.826 3.946 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)n1 ZINC000023942452 564082729 /nfs/dbraw/zinc/08/27/29/564082729.db2.gz AMJWUBAJKODSGN-XFJVYGCCSA-N 0 0 331.485 3.746 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)n1 ZINC000023942454 564082745 /nfs/dbraw/zinc/08/27/45/564082745.db2.gz AMJWUBAJKODSGN-DJSGYFEHSA-N 0 0 331.485 3.746 50 30 EHEARN C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cnn(C)c1 ZINC000266439375 564087004 /nfs/dbraw/zinc/08/70/04/564087004.db2.gz OTFXEUSTEDYQTD-QWHCGFSZSA-N 0 0 343.456 3.697 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSC(F)(F)F)sc2C1 ZINC000075488224 564087042 /nfs/dbraw/zinc/08/70/42/564087042.db2.gz CMFGXGGARJPNGA-SSDOTTSWSA-N 0 0 334.388 3.936 50 30 EHEARN Clc1ccc(C=NN2CCN(c3ccccn3)CC2)cc1Cl ZINC000244734785 564088576 /nfs/dbraw/zinc/08/85/76/564088576.db2.gz NLVGLOALQAMWFW-UHFFFAOYSA-N 0 0 335.238 3.545 50 30 EHEARN C=C(Br)CNC(=O)N(C)CCc1cccc2ccccc21 ZINC000089346458 564089739 /nfs/dbraw/zinc/08/97/39/564089739.db2.gz UMFIXNITDRIKLO-UHFFFAOYSA-N 0 0 347.256 3.932 50 30 EHEARN CCOc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(OC)cc1 ZINC000006540892 564091830 /nfs/dbraw/zinc/09/18/30/564091830.db2.gz PLIWEXFEHAEOAB-CYBMUJFWSA-N 0 0 325.364 3.616 50 30 EHEARN Cc1nc([C@@H](C)NC(=O)CC2=C(c3ccccc3)CCC2=O)cs1 ZINC000426509934 564093916 /nfs/dbraw/zinc/09/39/16/564093916.db2.gz DTIUATFOCQBVCT-GFCCVEGCSA-N 0 0 340.448 3.836 50 30 EHEARN N#Cc1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006626146 564094665 /nfs/dbraw/zinc/09/46/65/564094665.db2.gz DZRBKOWHFOSZSB-UHFFFAOYSA-N 0 0 328.176 3.633 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000006641588 564095079 /nfs/dbraw/zinc/09/50/79/564095079.db2.gz IHAWCLXPXUOJEO-JXMROGBWSA-N 0 0 328.364 3.617 50 30 EHEARN N#Cc1cccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000007062472 564104498 /nfs/dbraw/zinc/10/44/98/564104498.db2.gz ZAUUTSYGKNDMDS-UHFFFAOYSA-N 0 0 330.174 3.623 50 30 EHEARN Cc1ccc(-n2c(S[C@H](C)C#N)nnc2N2CCCCC2)cc1 ZINC000007104833 564104875 /nfs/dbraw/zinc/10/48/75/564104875.db2.gz SDAOFVBMUPOEGM-CQSZACIVSA-N 0 0 327.457 3.570 50 30 EHEARN Cc1c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc(C#N)n1C ZINC000007112791 564105013 /nfs/dbraw/zinc/10/50/13/564105013.db2.gz KWMNTJNERGIGFZ-LJQANCHMSA-N 0 0 346.390 3.565 50 30 EHEARN Cc1cc(NC(=O)/C=C/c2cccc(OC(C)C)c2)n(CCC#N)n1 ZINC000065625105 564108527 /nfs/dbraw/zinc/10/85/27/564108527.db2.gz CKVYDWRSLPOYOT-CMDGGOBGSA-N 0 0 338.411 3.544 50 30 EHEARN Cc1ccc(Cl)c(NCC(=O)N[C@](C)(C#N)C(C)C)c1Cl ZINC000170616335 564110044 /nfs/dbraw/zinc/11/00/44/564110044.db2.gz ASJOOLCNRZAVDV-OAHLLOKOSA-N 0 0 328.243 3.768 50 30 EHEARN CON=C(C)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000252623350 564122961 /nfs/dbraw/zinc/12/29/61/564122961.db2.gz OPBFYSZROHITQM-UHFFFAOYSA-N 0 0 334.375 3.581 50 30 EHEARN COc1cc(C=Nc2oc(C)c(C)c2C#N)cc(Br)c1O ZINC000252627090 564123377 /nfs/dbraw/zinc/12/33/77/564123377.db2.gz RLXKVQHQPBULGA-UHFFFAOYSA-N 0 0 349.184 3.995 50 30 EHEARN C[C@H]1SC(=NN=Cc2c3ccccc3cc3ccccc32)NC1=O ZINC000252633655 564124473 /nfs/dbraw/zinc/12/44/73/564124473.db2.gz WFFWYBSBNIEHHX-GFCCVEGCSA-N 0 0 333.416 3.934 50 30 EHEARN COc1ccccc1N=CC(=CNc1ccccc1OC)[N+](=O)[O-] ZINC000252680239 564124904 /nfs/dbraw/zinc/12/49/04/564124904.db2.gz XWGBSDHUNXYYCY-AOWAQQDZSA-N 0 0 327.340 3.636 50 30 EHEARN CC(=O)[C@@H]1C[C@H](C)[C@@H]2[C@@H]3C[C@@H]4O[C@@]45CC[C@@H](O)C[C@]5(C)[C@@H]3CC[C@]12C ZINC000015133892 564129004 /nfs/dbraw/zinc/12/90/04/564129004.db2.gz BUDKLYQSLDHSFY-SZQSXGDRSA-N 0 0 346.511 3.973 50 30 EHEARN CC(C)CCOc1ccc(CCNC(=O)N2CCC(C#N)CC2)cc1 ZINC000584900793 564131742 /nfs/dbraw/zinc/13/17/42/564131742.db2.gz VNLYZWVANVIQOS-UHFFFAOYSA-N 0 0 343.471 3.599 50 30 EHEARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253499662 564132775 /nfs/dbraw/zinc/13/27/75/564132775.db2.gz JBVNBBXAMBZTMQ-ZVZGYBOSSA-N 0 0 328.452 3.614 50 30 EHEARN CC(=O)[C@@]12C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1O2 ZINC000253530407 564132991 /nfs/dbraw/zinc/13/29/91/564132991.db2.gz AEJAEAUKXCTTKY-XDUKTRNDSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000000621148 564133525 /nfs/dbraw/zinc/13/35/25/564133525.db2.gz YMEUUXKHBBNQFI-LLVKDONJSA-N 0 0 345.196 3.727 50 30 EHEARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccccc3C#N)nc2c1 ZINC000006908933 564133749 /nfs/dbraw/zinc/13/37/49/564133749.db2.gz HTFRVEUSWQHMPD-GFCCVEGCSA-N 0 0 336.420 3.862 50 30 EHEARN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2ccco2)c1 ZINC000252597217 564133782 /nfs/dbraw/zinc/13/37/82/564133782.db2.gz CPZLWYHTRFCASD-UHFFFAOYSA-N 0 0 345.358 3.547 50 30 EHEARN N#Cc1ccccc1CC(=O)c1ccccc1I ZINC000002393042 564134437 /nfs/dbraw/zinc/13/44/37/564134437.db2.gz LXHQVUGBMHXYSH-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN COC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C ZINC000081991167 564135477 /nfs/dbraw/zinc/13/54/77/564135477.db2.gz LCAIQMGTEPBUGN-UHFFFAOYSA-N 0 0 330.409 3.812 50 30 EHEARN CCOc1cc2c(cc1COc1ccc(C#N)cc1OC)O[C@@H](C)C2 ZINC000012740223 564135529 /nfs/dbraw/zinc/13/55/29/564135529.db2.gz ZCBJPCYAVFYIBS-ZDUSSCGKSA-N 0 0 339.391 3.868 50 30 EHEARN N#Cc1c(COC(=O)c2ccc(Cl)cc2O)cn2ccccc12 ZINC000012974298 564135716 /nfs/dbraw/zinc/13/57/16/564135716.db2.gz VOTRLQNMTPNYPC-UHFFFAOYSA-N 0 0 326.739 3.527 50 30 EHEARN O=C(NCc1nccn1-c1ccccc1)[C@@H]1OCCc2ccccc21 ZINC000328586365 564136479 /nfs/dbraw/zinc/13/64/79/564136479.db2.gz BVTRZEVOEDUBTK-LJQANCHMSA-N 0 0 333.391 3.643 50 30 EHEARN Cc1cscc1CNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000328588019 564136604 /nfs/dbraw/zinc/13/66/04/564136604.db2.gz MBCDVVCAHBJTIF-CYBMUJFWSA-N 0 0 334.445 3.814 50 30 EHEARN Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CCCc3ccc(F)cc32)no1 ZINC000328588948 564136682 /nfs/dbraw/zinc/13/66/82/564136682.db2.gz UONCHSDQQPPHGX-JKSUJKDBSA-N 0 0 344.390 3.646 50 30 EHEARN C=CCN(Cc1ncc(Cl)cc1Cl)S(=O)(=O)C(C)(C)C ZINC000095990757 564144122 /nfs/dbraw/zinc/14/41/22/564144122.db2.gz NPFCEKYRMISEJL-UHFFFAOYSA-N 0 0 337.272 3.505 50 30 EHEARN N#CC1(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)CCCC1 ZINC000096003033 564144400 /nfs/dbraw/zinc/14/44/00/564144400.db2.gz SAIYPVHEFCVUFL-MRXNPFEDSA-N 0 0 326.444 3.576 50 30 EHEARN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCC(C#N)CC1 ZINC000096190161 564145934 /nfs/dbraw/zinc/14/59/34/564145934.db2.gz AFDRICXKROXMRW-FPLPWBNLSA-N 0 0 349.434 3.799 50 30 EHEARN O=C(/C=C/c1cc(Br)co1)c1ccc2c(c1)OCCO2 ZINC000058004296 564157126 /nfs/dbraw/zinc/15/71/26/564157126.db2.gz DHEFROIWKSQEJV-NSCUHMNNSA-N 0 0 335.153 3.709 50 30 EHEARN C[C@@H]1CCc2ccccc2N1CC(=O)NC1(C#N)CCCCCC1 ZINC000058407608 564159030 /nfs/dbraw/zinc/15/90/30/564159030.db2.gz QPDLDZZJSAOGDB-MRXNPFEDSA-N 0 0 325.456 3.560 50 30 EHEARN C(=C/c1ccc2c(c1)OCO2)\C=N\c1ccc(N2CCOCC2)cc1 ZINC000004045487 564160226 /nfs/dbraw/zinc/16/02/26/564160226.db2.gz PGFDXYAHXHIQOK-NNYRQTCXSA-N 0 0 336.391 3.668 50 30 EHEARN C[C@@H](NC(=O)COc1ccccc1C#N)c1nc(C(C)(C)C)cs1 ZINC000069660171 564171314 /nfs/dbraw/zinc/17/13/14/564171314.db2.gz OKCYNXBYGXZDDK-GFCCVEGCSA-N 0 0 343.452 3.568 50 30 EHEARN Cc1ccc(SCC(=O)Nc2ccccc2SCC#N)nc1 ZINC000042173538 564174738 /nfs/dbraw/zinc/17/47/38/564174738.db2.gz ZFHMXTXUQBQKQA-UHFFFAOYSA-N 0 0 329.450 3.737 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1O ZINC000013019756 1016054925 /nfs/dbraw/zinc/05/49/25/1016054925.db2.gz TVEPISNLQNEFOF-GQCTYLIASA-N 0 0 348.782 3.968 50 30 EHEARN O=C1c2cccc(F)c2SC/C1=C/c1ccc2c(c1)OCCO2 ZINC000015662147 1020720667 /nfs/dbraw/zinc/72/06/67/1020720667.db2.gz CBKQYBZLKIROQK-WQLSENKSSA-N 0 0 328.364 3.969 50 30 EHEARN COc1ncc(Br)cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000595413967 1025369160 /nfs/dbraw/zinc/36/91/60/1025369160.db2.gz DMEYVICNZZOTAB-NSHDSACASA-N 0 0 346.228 3.575 50 30 EHEARN CCCOc1c(C=CC(=O)c2cc[nH]c(=O)c2)cccc1OCC ZINC000791431665 1030266329 /nfs/dbraw/zinc/26/63/29/1030266329.db2.gz JKPNEUFNKOECJY-HJWRWDBZSA-N 0 0 327.380 3.871 50 30 EHEARN O=C1c2ccccc2OC/C1=C/c1ccc(Oc2cnccn2)cc1 ZINC000255691068 1034212315 /nfs/dbraw/zinc/21/23/15/1034212315.db2.gz ZOIQZKLLKDEEHO-PTNGSMBKSA-N 0 0 330.343 3.928 50 30 EHEARN CCn1ccnc1[C@H](NC(=O)[C@H]1Cc2ccccc21)C1CCOCC1 ZINC000328996185 1037800233 /nfs/dbraw/zinc/80/02/33/1037800233.db2.gz GOSOZNOPUCSDIW-ZWKOTPCHSA-N 0 0 339.439 3.667 50 30 EHEARN COc1ccc2c(c1)CC/C(=C\c1ccc(N3CCOCC3)cc1)C2=O ZINC000033681020 1122969713 /nfs/dbraw/zinc/96/97/13/1122969713.db2.gz FIWUFHXTTYCLPP-NBVRZTHBSA-N 0 0 349.430 3.744 50 30 EHEARN N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000585113327 1137003080 /nfs/dbraw/zinc/00/30/80/1137003080.db2.gz OIJHJNQRPAVJKT-SFHVURJKSA-N 0 0 343.789 3.572 50 30 EHEARN C#CCCC1(CCC(=O)N2CCc3c(Cl)cc(F)cc3C2)N=N1 ZINC000952879205 1137483162 /nfs/dbraw/zinc/48/31/62/1137483162.db2.gz BPNXRKWYIZALBM-UHFFFAOYSA-N 0 0 333.794 3.720 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)N=N1 ZINC000952882369 1137483450 /nfs/dbraw/zinc/48/34/50/1137483450.db2.gz VBXGQNVQWXFWAT-ZDUSSCGKSA-N 0 0 343.431 3.650 50 30 EHEARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)n[nH]2)cc1 ZINC000051315447 214087508 /nfs/dbraw/zinc/08/75/08/214087508.db2.gz NFALXMOKXZLWEP-UHFFFAOYSA-N 0 0 332.363 3.599 50 30 EHEARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)n[nH]2)cc1 ZINC000051315446 214087731 /nfs/dbraw/zinc/08/77/31/214087731.db2.gz NFEAYAKZQBNHJW-UHFFFAOYSA-N 0 0 332.363 3.599 50 30 EHEARN C=CCN(Cc1ccc(C)s1)C(=O)[C@@]12CC[C@@](C)(OC1=O)C2(C)C ZINC000055414261 214322220 /nfs/dbraw/zinc/32/22/20/214322220.db2.gz LDSLLUXUPDKWEE-MOPGFXCFSA-N 0 0 347.480 3.693 50 30 EHEARN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000058291303 214533244 /nfs/dbraw/zinc/53/32/44/214533244.db2.gz LAXFZGQWOQOLPP-LLVKDONJSA-N 0 0 325.334 3.712 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@@H]2c2ccccc2F)C1 ZINC000049546524 214016801 /nfs/dbraw/zinc/01/68/01/214016801.db2.gz TWRKMGXCTGABON-QGZVFWFLSA-N 0 0 336.370 3.552 50 30 EHEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2cccs2)C1=O ZINC000100275113 219095801 /nfs/dbraw/zinc/09/58/01/219095801.db2.gz MGAMGEQQLURTQG-LFIBNONCSA-N 0 0 339.416 3.934 50 30 EHEARN C=CCN(C(=O)c1ccc2c(c1)COC2)c1nc2c(s1)CCCC2 ZINC000064382794 214784370 /nfs/dbraw/zinc/78/43/70/214784370.db2.gz ZMNVQSIDKUEANR-UHFFFAOYSA-N 0 0 340.448 3.885 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@H](c1ccccc1OC)[C@H]1CCOC(C)(C)C1 ZINC000100735973 219105015 /nfs/dbraw/zinc/10/50/15/219105015.db2.gz SRYXQBHPVZMMOV-LESCRADOSA-N 0 0 345.439 3.687 50 30 EHEARN Cc1nc(C)c(C(=O)Cc2nc3cc(Cl)ccc3oc2=O)s1 ZINC000100820676 219108241 /nfs/dbraw/zinc/10/82/41/219108241.db2.gz LKYXBXMDGCVOPC-IZZDOVSWSA-N 0 0 334.784 3.511 50 30 EHEARN COc1ccc(NC(=O)c2oc3c(c2C)/C(=N\O)CC(C)(C)C3)cc1 ZINC000100931432 219111740 /nfs/dbraw/zinc/11/17/40/219111740.db2.gz ZBFWGEACAMAWCE-STZFKDTASA-N 0 0 342.395 4.000 50 30 EHEARN C#CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000004377127 210183825 /nfs/dbraw/zinc/18/38/25/210183825.db2.gz OJTZTGYZOSEBEW-UHFFFAOYSA-N 0 0 326.808 3.764 50 30 EHEARN N#Cc1cccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1 ZINC000064818535 214807130 /nfs/dbraw/zinc/80/71/30/214807130.db2.gz QYCREZXDUKAVAU-UHFFFAOYSA-N 0 0 331.379 3.670 50 30 EHEARN O=C(c1cc(F)cc(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000101168733 219118987 /nfs/dbraw/zinc/11/89/87/219118987.db2.gz NNAQCDZYEOAMTH-UHFFFAOYSA-N 0 0 347.205 3.922 50 30 EHEARN COc1cc2c(cc1OC)/C(=C/C(=O)c1cc3ccccc3o1)NCC2 ZINC000004084337 210116596 /nfs/dbraw/zinc/11/65/96/210116596.db2.gz YRUFSUOCKZEDTH-VBKFSLOCSA-N 0 0 349.386 3.820 50 30 biogenic EHEARN CCOC(=O)[C@H](C#N)[C@H](c1ccccc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000003901962 210088492 /nfs/dbraw/zinc/08/84/92/210088492.db2.gz SRYXQBHPVZMMOV-KYJSFNMBSA-N 0 0 345.439 3.687 50 30 EHEARN COc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000003644700 210069953 /nfs/dbraw/zinc/06/99/53/210069953.db2.gz AMMOKQRSVTVEIM-UHFFFAOYSA-N 0 0 349.346 3.563 50 30 EHEARN Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000003456493 210045720 /nfs/dbraw/zinc/04/57/20/210045720.db2.gz IWGHTSJKNGKSRG-UHFFFAOYSA-N 0 0 347.374 3.994 50 30 EHEARN CCCN(CC#Cc1ccccc1)C(=O)c1c(F)cccc1OC ZINC000067541212 215160067 /nfs/dbraw/zinc/16/00/67/215160067.db2.gz JRHAIYGGTINBLT-UHFFFAOYSA-N 0 0 325.383 3.738 50 30 EHEARN N#Cc1cccc(N2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)n1 ZINC000067934645 215252540 /nfs/dbraw/zinc/25/25/40/215252540.db2.gz QXSOXLOEVHRGHR-QGZVFWFLSA-N 0 0 343.434 3.651 50 30 EHEARN CC(=O)c1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000002561535 209868139 /nfs/dbraw/zinc/86/81/39/209868139.db2.gz ZHAPPCOCOZMLKP-UHFFFAOYSA-N 0 0 333.387 3.901 50 30 EHEARN CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000002391633 209845330 /nfs/dbraw/zinc/84/53/30/209845330.db2.gz MVPZIDJKOWEPKE-RGVLZGJSSA-N 0 0 347.871 3.737 50 30 EHEARN Cn1cccc1C=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000001305981 209725451 /nfs/dbraw/zinc/72/54/51/209725451.db2.gz GGKUFTYXGKDNBZ-XDHOZWIPSA-N 0 0 339.468 3.752 50 30 EHEARN O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000038680955 213221022 /nfs/dbraw/zinc/22/10/22/213221022.db2.gz BYZKBZUXDLLFRH-UHFFFAOYSA-N 0 0 333.395 3.576 50 30 EHEARN COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000000484098 209630046 /nfs/dbraw/zinc/63/00/46/209630046.db2.gz RGSISSLVAUUMRW-UHFFFAOYSA-N 0 0 342.420 3.768 50 30 EHEARN O=C1c2ccccc2C(=O)C1=CNc1ccccc1Br ZINC000035623065 213044313 /nfs/dbraw/zinc/04/43/13/213044313.db2.gz BLLKFMXHOGLDEY-UHFFFAOYSA-N 0 0 328.165 3.824 50 30 EHEARN CCc1nc(Cn2ccnc2-c2ccc(-c3ccccc3C#N)o2)no1 ZINC000071524083 215783145 /nfs/dbraw/zinc/78/31/45/215783145.db2.gz RRLKRPCYZWZBRM-UHFFFAOYSA-N 0 0 345.362 3.675 50 30 EHEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2cccs2)cc1 ZINC000072405708 216196948 /nfs/dbraw/zinc/19/69/48/216196948.db2.gz FZBHBDWFBGRSPR-OAHLLOKOSA-N 0 0 334.404 3.988 50 30 EHEARN Cc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000023609656 212385243 /nfs/dbraw/zinc/38/52/43/212385243.db2.gz ZRIAXDNAXJPYHL-ZHACJKMWSA-N 0 0 333.347 3.985 50 30 EHEARN N#Cc1cccc(COC(=O)c2csc(NCc3ccccc3)n2)c1 ZINC000022882652 212331694 /nfs/dbraw/zinc/33/16/94/212331694.db2.gz RCPITNFPQLSDSS-UHFFFAOYSA-N 0 0 349.415 3.984 50 30 EHEARN N#Cc1cnc(N2CCC(Sc3ccccn3)CC2)c(Cl)c1 ZINC000075147004 216583978 /nfs/dbraw/zinc/58/39/78/216583978.db2.gz IVVKPTNUZCTEMS-UHFFFAOYSA-N 0 0 330.844 3.763 50 30 EHEARN C=CCn1c2ccc(NC(=O)c3sccc3C)cc2sc1=O ZINC000021941498 212265099 /nfs/dbraw/zinc/26/50/99/212265099.db2.gz PQDCNZQUJULMQW-UHFFFAOYSA-N 0 0 330.434 3.871 50 30 EHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1C)CC(=O)N2 ZINC000021784200 212248553 /nfs/dbraw/zinc/24/85/53/212248553.db2.gz UJUBFMOEZVPVEZ-ZDUSSCGKSA-N 0 0 341.436 3.551 50 30 EHEARN CC1(C)CO[C@H](c2ccccc2Cl)CN1C[C@@H](C#N)CCC#N ZINC000229664283 242187764 /nfs/dbraw/zinc/18/77/64/242187764.db2.gz OEGHJSPNEWIOBR-PBHICJAKSA-N 0 0 331.847 3.935 50 30 EHEARN Cc1ccc(C/N=C2\C(c3ccc(C)c(C)c3)=Nc3ncnn32)cc1 ZINC000021102626 212207524 /nfs/dbraw/zinc/20/75/24/212207524.db2.gz SZXXIKPYLZGIDO-XUTLUUPISA-N 0 0 329.407 3.785 50 30 EHEARN CCCCOc1ccc(-c2c(C#N)c(N)nc(SC)c2C#N)cc1 ZINC000020813752 212173967 /nfs/dbraw/zinc/17/39/67/212173967.db2.gz RZHFDLAZJQLJIZ-UHFFFAOYSA-N 0 0 338.436 3.975 50 30 EHEARN Cc1ccccc1[C@@H]1CC(=O)Nc2sc3c(nc(N)c(C#N)c3C)c21 ZINC000020347569 212121825 /nfs/dbraw/zinc/12/18/25/212121825.db2.gz NYSINRQLUQCAPS-LBPRGKRZSA-N 0 0 348.431 3.841 50 30 EHEARN CCO/C=N/c1sc2c(c1C#N)CCN(Cc1ccccc1)C2 ZINC000020100132 212100176 /nfs/dbraw/zinc/10/01/76/212100176.db2.gz HDIADSVKPSPUEW-DEDYPNTBSA-N 0 0 325.437 3.874 50 30 EHEARN O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1CN1CCCCC1 ZINC000020036706 212096438 /nfs/dbraw/zinc/09/64/38/212096438.db2.gz GRJXNLDOFBNMHM-ZBJSNUHESA-N 0 0 337.398 3.737 50 30 EHEARN C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000019825895 212073053 /nfs/dbraw/zinc/07/30/53/212073053.db2.gz JMVXKOXUFLDKMS-PGMHBOJBSA-N 0 0 327.859 3.882 50 30 EHEARN Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)n2)cc1 ZINC000019212143 212004572 /nfs/dbraw/zinc/00/45/72/212004572.db2.gz IMNXYZNLXAHDTG-UHFFFAOYSA-N 0 0 329.359 3.907 50 30 EHEARN Cc1cc(N[C@H](CO)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000078536086 217070170 /nfs/dbraw/zinc/07/01/70/217070170.db2.gz VQWBLJZAUHKZMA-GOSISDBHSA-N 0 0 342.402 3.813 50 30 EHEARN C(=NNc1nn2cnnc2c2ccccc21)c1cccc2ccccc12 ZINC000017146961 211956618 /nfs/dbraw/zinc/95/66/18/211956618.db2.gz PZWHFELNCDUKFY-CIAFOILYSA-N 0 0 338.374 3.877 50 30 EHEARN COc1cc(/C=N/c2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])cc1OC ZINC000017185525 211959009 /nfs/dbraw/zinc/95/90/09/211959009.db2.gz YFVJWSCLWWMXSK-RQZCQDPDSA-N 0 0 345.311 3.579 50 30 EHEARN COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000015108123 211802629 /nfs/dbraw/zinc/80/26/29/211802629.db2.gz MXEQQHXGAJDGJY-MDZDMXLPSA-N 0 0 328.364 3.617 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cc1 ZINC000014094446 211681019 /nfs/dbraw/zinc/68/10/19/211681019.db2.gz VQDCPHWCJSRFBE-UHFFFAOYSA-N 0 0 334.297 3.889 50 30 EHEARN C=CCn1cc([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 ZINC000013691730 211614117 /nfs/dbraw/zinc/61/41/17/211614117.db2.gz IAKFYAPQMYQFLE-KRWDZBQOSA-N 0 0 346.386 3.580 50 30 EHEARN CC(C)Cc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1CCC2 ZINC000012324180 211347725 /nfs/dbraw/zinc/34/77/25/211347725.db2.gz APASDHQSEPNRRU-UHFFFAOYSA-N 0 0 334.419 3.902 50 30 EHEARN CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCCS3)cc1 ZINC000011903219 211264304 /nfs/dbraw/zinc/26/43/04/211264304.db2.gz MIBDFWSULBCKKB-UHFFFAOYSA-N 0 0 325.437 3.575 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)cc1 ZINC000092062371 218112095 /nfs/dbraw/zinc/11/20/95/218112095.db2.gz STNPBGZPBUKPAT-UHFFFAOYSA-N 0 0 348.450 3.575 50 30 EHEARN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1C#N ZINC000009363840 211073909 /nfs/dbraw/zinc/07/39/09/211073909.db2.gz NBCULZNLLXOFFS-MRXNPFEDSA-N 0 0 325.437 3.568 50 30 EHEARN O=C1NC(=NN=Cc2ccco2)S[C@H]1Cc1ccc(Cl)cc1 ZINC000009319134 211067430 /nfs/dbraw/zinc/06/74/30/211067430.db2.gz XVIPLJFVHGDSII-YRUBURHZSA-N 0 0 333.800 3.938 50 30 EHEARN CSc1ccc(C#N)cc1NC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000095399551 218332779 /nfs/dbraw/zinc/33/27/79/218332779.db2.gz AFTXJMLZHCYZPZ-SNVBAGLBSA-N 0 0 344.440 3.638 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000007705491 210833593 /nfs/dbraw/zinc/83/35/93/210833593.db2.gz CNZFZCPJYXMXIA-MRXNPFEDSA-N 0 0 347.374 3.504 50 30 EHEARN CCCOc1ccc(C=NN2C(=S)N=NC2CCC)cc1OCC ZINC000005855355 210548873 /nfs/dbraw/zinc/54/88/73/210548873.db2.gz BTFINYRPDJBZLZ-LDADJPATSA-N 0 0 348.472 3.589 50 30 EHEARN N#CCCCCS(=O)(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000096428307 218801458 /nfs/dbraw/zinc/80/14/58/218801458.db2.gz AOYHWFSDTUWUTO-JKSUJKDBSA-N 0 0 340.876 3.589 50 30 EHEARN C/C(=N\N=C1\NC(=O)[C@@H](Cc2ccc(C)cc2)S1)c1ccccc1 ZINC000005047962 210373905 /nfs/dbraw/zinc/37/39/05/210373905.db2.gz KHPBQEIBCURBAR-AQRZYSDFSA-N 0 0 337.448 3.549 50 30 EHEARN CN1C(=O)/C(=C\C(=O)c2ccc(Br)s2)c2ccccc21 ZINC000005013358 210361299 /nfs/dbraw/zinc/36/12/99/210361299.db2.gz OTOKJLKOWMRYKS-NTMALXAHSA-N 0 0 348.221 3.753 50 30 EHEARN Cc1ccc(NC(=O)N(C)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000328596651 258042517 /nfs/dbraw/zinc/04/25/17/258042517.db2.gz LVSDURNXJFANCE-UHFFFAOYSA-N 0 0 327.428 3.617 50 30 EHEARN C=C(C)COc1ccc(C(=O)N(Cc2nccs2)C2CC2)cc1 ZINC000055099119 258014913 /nfs/dbraw/zinc/01/49/13/258014913.db2.gz GFMJVBNNVUFUBA-UHFFFAOYSA-N 0 0 328.437 3.903 50 30 EHEARN CCc1ccc(Cn2nccc2NC(=O)c2cccc(C#N)c2)cc1 ZINC000012877414 258055615 /nfs/dbraw/zinc/05/56/15/258055615.db2.gz QVKSRQGRKNTGGL-UHFFFAOYSA-N 0 0 330.391 3.618 50 30 EHEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccnc1 ZINC000019923574 258057120 /nfs/dbraw/zinc/05/71/20/258057120.db2.gz OFWBFMOWZCTFAA-WMLDXEAASA-N 0 0 330.428 3.582 50 30 EHEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(O)c1 ZINC000019923567 258057240 /nfs/dbraw/zinc/05/72/40/258057240.db2.gz FSQCSTGUATZLGJ-KBXCAEBGSA-N 0 0 345.439 3.893 50 30 EHEARN CON=C1C[C@H](C)Cc2nnc(-c3ccc(Br)cc3)cc21 ZINC000245240219 258073010 /nfs/dbraw/zinc/07/30/10/258073010.db2.gz NQKXIUCEXZBZGY-SNVBAGLBSA-N 0 0 346.228 3.839 50 30 EHEARN N#Cc1cccnc1N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000067855991 132813112 /nfs/dbraw/zinc/81/31/12/132813112.db2.gz BQZCUASBGBLKFW-MRXNPFEDSA-N 0 0 347.397 3.866 50 30 EHEARN COc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000239030898 518168956 /nfs/dbraw/zinc/16/89/56/518168956.db2.gz CNOMBBJEFLXTLM-UHFFFAOYSA-N 0 0 344.827 3.778 50 30 EHEARN C=CCNc1nnc(SCC(=O)c2ccc3c(c2)CCCC3)s1 ZINC000005783216 518966771 /nfs/dbraw/zinc/96/67/71/518966771.db2.gz QYUKAMKGKAEPCB-UHFFFAOYSA-N 0 0 345.493 3.990 50 30 EHEARN C=CCSc1nc2c3ccccc3sc2c(N2CCOCC2)n1 ZINC000004092628 519081004 /nfs/dbraw/zinc/08/10/04/519081004.db2.gz PVBDYQZCQIMFIK-UHFFFAOYSA-N 0 0 343.477 3.959 50 30 EHEARN C=CCn1c(CN(C)Cc2ccoc2)nnc1SCC(=C)Cl ZINC000014984921 519179644 /nfs/dbraw/zinc/17/96/44/519179644.db2.gz URIBWNVUTCILQH-UHFFFAOYSA-N 0 0 338.864 3.534 50 30 EHEARN C=CCn1c([C@H](CCCC)C[C@H](O)COCCC)n[nH]c1=S ZINC000005737233 519259203 /nfs/dbraw/zinc/25/92/03/519259203.db2.gz SFTZVLUIESDDRA-KGLIPLIRSA-N 0 0 327.494 3.578 50 30 EHEARN CC(C)c1nnc(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)s1 ZINC000328594004 519884937 /nfs/dbraw/zinc/88/49/37/519884937.db2.gz HRVSDVYAXPCGBO-UGSOOPFHSA-N 0 0 343.452 3.858 50 30 EHEARN CCN(C(=O)CON=C(N)c1ccccc1)c1cccc2ccccc21 ZINC000020887340 519916417 /nfs/dbraw/zinc/91/64/17/519916417.db2.gz GTYPVOQCRXAGKL-UHFFFAOYSA-N 0 0 347.418 3.530 50 30 EHEARN CN(c1ccccc1)c1ccccc1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000042740218 523654747 /nfs/dbraw/zinc/65/47/47/523654747.db2.gz XTGWDHZABKKMOL-OAQYLSRUSA-N 0 0 348.450 3.675 50 30 EHEARN CN(C)C(=O)COc1ccc(C(=O)/C=C\c2ccccc2Cl)cc1 ZINC000096759319 523996186 /nfs/dbraw/zinc/99/61/86/523996186.db2.gz CESBGLJGMBOFEK-XFXZXTDPSA-N 0 0 343.810 3.703 50 30 EHEARN Cc1cc(=NN=Cc2ccccc2O)nc(NCc2ccccc2)[nH]1 ZINC000004811674 525042558 /nfs/dbraw/zinc/04/25/58/525042558.db2.gz PUPXYYQNGKUJBY-FYJGNVAPSA-N 0 0 333.395 3.549 50 30 EHEARN Cc1cc(N=NCc2ccc(O)cc2)nc(NCc2ccccc2)n1 ZINC000004860672 525043578 /nfs/dbraw/zinc/04/35/78/525043578.db2.gz CJKLFTMUUOFGRN-FYJGNVAPSA-N 0 0 333.395 3.549 50 30 EHEARN Cc1ccc(SCCOc2cccc(/C=N/n3cnnc3)c2)cc1 ZINC000004508490 525658824 /nfs/dbraw/zinc/65/88/24/525658824.db2.gz SJANNSXUXOHRMR-CIAFOILYSA-N 0 0 338.436 3.640 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NC(=O)NCCCOCC1CC1 ZINC000069813077 525922682 /nfs/dbraw/zinc/92/26/82/525922682.db2.gz MGQOWBDBRIDIEF-CQSZACIVSA-N 0 0 347.484 3.877 50 30 EHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1 ZINC000003429249 526443026 /nfs/dbraw/zinc/44/30/26/526443026.db2.gz GXBVNXQBPXJALI-UHFFFAOYSA-N 0 0 328.755 3.549 50 30 EHEARN N#CCN(C(=O)CSc1ccc2ccccc2n1)c1ccccc1 ZINC000005626712 526468986 /nfs/dbraw/zinc/46/89/86/526468986.db2.gz MCLNDZDXPOXDOW-UHFFFAOYSA-N 0 0 333.416 3.884 50 30 EHEARN N#CCN(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000252394569 526471283 /nfs/dbraw/zinc/47/12/83/526471283.db2.gz UEXCVZGIFAIUKO-UHFFFAOYSA-N 0 0 326.272 3.532 50 30 EHEARN NC(=NOCc1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000039992610 526805140 /nfs/dbraw/zinc/80/51/40/526805140.db2.gz JXLRXUIWRQVGIP-UHFFFAOYSA-N 0 0 327.771 3.832 50 30 EHEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=S ZINC000033861114 563860557 /nfs/dbraw/zinc/86/05/57/563860557.db2.gz LEEYYBLQYWKAAT-OWBHPGMISA-N 0 0 334.491 3.834 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000273479 563270216 /nfs/dbraw/zinc/27/02/16/563270216.db2.gz PFWOMJIZRVHNBF-MRXNPFEDSA-N 0 0 343.766 3.535 50 30 EHEARN COc1ccccc1/C=N/OC(=O)c1cc(F)c(Cl)nc1Cl ZINC000000384942 563301552 /nfs/dbraw/zinc/30/15/52/563301552.db2.gz GHBKTEADALXWKL-CNHKJKLMSA-N 0 0 343.141 3.727 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000000444073 563315664 /nfs/dbraw/zinc/31/56/64/563315664.db2.gz GMSAESWHPZWJFI-INIZCTEOSA-N 0 0 345.757 3.968 50 30 EHEARN Fc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001261528 563382059 /nfs/dbraw/zinc/38/20/59/563382059.db2.gz JVPSLSRRIAQQFO-GIJQJNRQSA-N 0 0 332.791 3.909 50 30 EHEARN Cc1ccc([C@@H](NC(=O)N2CCC(C#N)CC2)c2cccnc2)c(C)c1 ZINC000584902540 563417669 /nfs/dbraw/zinc/41/76/69/563417669.db2.gz OYMUKJXZXOUJKF-FQEVSTJZSA-N 0 0 348.450 3.733 50 30 EHEARN COc1ccc(NC=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002917943 563463576 /nfs/dbraw/zinc/46/35/76/563463576.db2.gz IBIXFMIFCOIBJZ-MDZDMXLPSA-N 0 0 343.379 3.530 50 30 EHEARN CC1=C(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O ZINC000003052115 563470528 /nfs/dbraw/zinc/47/05/28/563470528.db2.gz HOUITNAJHFPESJ-UHFFFAOYSA-N 0 0 335.315 3.563 50 30 EHEARN Cc1nc(C(=O)/C=C/N(C)C)cn1Cc1c(Cl)cccc1Cl ZINC000003125423 563473243 /nfs/dbraw/zinc/47/32/43/563473243.db2.gz LUFXRNPQCCGKRG-BQYQJAHWSA-N 0 0 338.238 3.805 50 30 EHEARN COc1ccc(OC)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000005513126 563536181 /nfs/dbraw/zinc/53/61/81/563536181.db2.gz QWCQLBQZZLVPQE-AERZKKPOSA-N 0 0 346.255 3.845 50 30 EHEARN CC(C)c1ccc(-c2csc3ncn(/N=C/N(C)C)c(=O)c23)cc1 ZINC000005522975 563536899 /nfs/dbraw/zinc/53/68/99/563536899.db2.gz OFWGGXGKLMSXFM-RGVLZGJSSA-N 0 0 340.452 3.601 50 30 EHEARN CCNC(=S)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000006349360 563565558 /nfs/dbraw/zinc/56/55/58/563565558.db2.gz DOIRGGUUJKITDN-RGVLZGJSSA-N 0 0 347.871 3.737 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000006492911 563570053 /nfs/dbraw/zinc/57/00/53/563570053.db2.gz XATLQTOJJGYBLD-QGZVFWFLSA-N 0 0 337.350 3.590 50 30 EHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1 ZINC000071916325 563621441 /nfs/dbraw/zinc/62/14/41/563621441.db2.gz QIYBPVRIFBTYJU-NYYWCZLTSA-N 0 0 331.375 3.727 50 30 EHEARN COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(C)s3)S2)cc1 ZINC000014011420 563735252 /nfs/dbraw/zinc/73/52/52/563735252.db2.gz RSWIUOXUCSWQMC-NTEUORMPSA-N 0 0 330.434 3.957 50 30 EHEARN C[C@H]1Oc2c(cccc2C(=O)OCCOc2ccc(C#N)cc2)[C@@H]1C ZINC000032829420 563758932 /nfs/dbraw/zinc/75/89/32/563758932.db2.gz RSUZWIOALFXXEH-ZIAGYGMSSA-N 0 0 337.375 3.678 50 30 EHEARN COc1ccccc1NC(=O)CCSc1nc(C)cc(C)c1C#N ZINC000032870974 563770405 /nfs/dbraw/zinc/77/04/05/563770405.db2.gz SRUAADXLNFUCHP-UHFFFAOYSA-N 0 0 341.436 3.700 50 30 EHEARN N#CCc1cccc(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000072294121 563910751 /nfs/dbraw/zinc/91/07/51/563910751.db2.gz PDPWONJMSFGBNF-OAHLLOKOSA-N 0 0 349.217 3.523 50 30 EHEARN CSc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000033314838 563915736 /nfs/dbraw/zinc/91/57/36/563915736.db2.gz GKOGCXRQNVCIPC-RCCKNPSSSA-N 0 0 339.508 3.869 50 30 EHEARN CCCNC(=O)Nc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cc1 ZINC000032996250 563921472 /nfs/dbraw/zinc/92/14/72/563921472.db2.gz CWMBMHAHLQLSJK-UHFFFAOYSA-N 0 0 347.378 3.807 50 30 EHEARN Cc1csc(-c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)n1 ZINC000097938061 563922704 /nfs/dbraw/zinc/92/27/04/563922704.db2.gz QCGWPFMNDRRGNY-UHFFFAOYSA-N 0 0 333.416 3.920 50 30 EHEARN O=C1c2ccc(O)cc2CC/C1=C\c1cnn(Cc2ccccc2)c1 ZINC000058411788 563945261 /nfs/dbraw/zinc/94/52/61/563945261.db2.gz JEHRYXSQSUQUGC-VCHYOVAHSA-N 0 0 330.387 3.850 50 30 EHEARN N#CC1(NC(=O)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000096459231 563954000 /nfs/dbraw/zinc/95/40/00/563954000.db2.gz RAGCXYYONYXJCA-UHFFFAOYSA-N 0 0 331.828 3.543 50 30 EHEARN C[S@](=O)c1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000096466682 563954245 /nfs/dbraw/zinc/95/42/45/563954245.db2.gz KWYKZRCEYZMALP-HSZRJFAPSA-N 0 0 338.354 3.927 50 30 EHEARN CCN(C[C@@H](C)C#N)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000096466155 563954258 /nfs/dbraw/zinc/95/42/58/563954258.db2.gz BIVSHKLTOYINRY-NSHDSACASA-N 0 0 335.333 3.543 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000060383104 563954681 /nfs/dbraw/zinc/95/46/81/563954681.db2.gz JNAZDWCIBNIDMP-JOCHJYFZSA-N 0 0 349.478 3.743 50 30 EHEARN N#CCCN(C(=O)CC[C@@H]1CCOC1)C12CC3CC(CC(C3)C1)C2 ZINC000097101950 563967698 /nfs/dbraw/zinc/96/76/98/563967698.db2.gz ZGNWGFMWSJRBEE-HWWITLHISA-N 0 0 330.472 3.514 50 30 EHEARN Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccccc3C#N)c12 ZINC000097134586 563968141 /nfs/dbraw/zinc/96/81/41/563968141.db2.gz KWQICRKFFCXGMZ-UHFFFAOYSA-N 0 0 333.347 3.637 50 30 EHEARN N#Cc1cnc(NCc2cccc(NC(=O)Nc3ccccc3)c2)cn1 ZINC000097163572 563968465 /nfs/dbraw/zinc/96/84/65/563968465.db2.gz ABIYFORQRRXRSC-UHFFFAOYSA-N 0 0 344.378 3.604 50 30 EHEARN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)s2)cc1Cl ZINC000130266237 563974263 /nfs/dbraw/zinc/97/42/63/563974263.db2.gz HASQVALBQPGYAB-LLVKDONJSA-N 0 0 348.811 3.680 50 30 EHEARN CCCCCCCCOS(=O)(=O)c1cc(OC)ccc1OC ZINC000095660897 563977628 /nfs/dbraw/zinc/97/76/28/563977628.db2.gz CKNVNUCXEKHHBT-UHFFFAOYSA-N 0 0 330.446 3.770 50 30 EHEARN CC1(C)CC(=O)C=C(Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000016577614 563976577 /nfs/dbraw/zinc/97/65/77/563976577.db2.gz DTKHAWYBUTZJHX-UHFFFAOYSA-N 0 0 326.440 3.998 50 30 EHEARN Cc1c(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)c2ccccc2n1C ZINC000071756945 563983005 /nfs/dbraw/zinc/98/30/05/563983005.db2.gz IVHMTJLZYMPNKE-CYBMUJFWSA-N 0 0 332.407 3.507 50 30 EHEARN Cc1ccc(OCc2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000000108235 563986591 /nfs/dbraw/zinc/98/65/91/563986591.db2.gz XWWRPRWNRIQLBK-HUUCEWRRSA-N 0 0 325.412 3.916 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1Cl ZINC000000273468 563990101 /nfs/dbraw/zinc/99/01/01/563990101.db2.gz QDHRXUSXRHIHQT-MRXNPFEDSA-N 0 0 343.766 3.535 50 30 EHEARN CN(C)c1ccc(-c2ccc(C(=O)N3CCC[C@H](C#N)C3)cc2)cc1 ZINC000426433646 563995732 /nfs/dbraw/zinc/99/57/32/563995732.db2.gz LCJVZVBOVKMRQU-MRXNPFEDSA-N 0 0 333.435 3.795 50 30 EHEARN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCOc2cc(O)ccc2C1 ZINC000329187705 563996052 /nfs/dbraw/zinc/99/60/52/563996052.db2.gz QDRVBBFIRCBEMG-LLDVTBCESA-N 0 0 346.471 3.756 50 30 EHEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005254325 564001593 /nfs/dbraw/zinc/00/15/93/564001593.db2.gz MTJGUQCVLPVSAO-SXGWCWSVSA-N 0 0 327.311 3.502 50 30 EHEARN N#CCC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000188147249 564001878 /nfs/dbraw/zinc/00/18/78/564001878.db2.gz ZEFXXLUBFZTRDU-MRXNPFEDSA-N 0 0 347.187 3.707 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N(C)Cc2ccccc2C)n1 ZINC000005643303 564006936 /nfs/dbraw/zinc/00/69/36/564006936.db2.gz DMAOFCGNBUVELL-UHFFFAOYSA-N 0 0 339.464 3.629 50 30 EHEARN N#C[C@H](NC(=O)[C@@H]1CSCCS1)c1cccc(Cl)c1Cl ZINC000177275065 564013795 /nfs/dbraw/zinc/01/37/95/564013795.db2.gz WISCNJUDBZRSEI-QWRGUYRKSA-N 0 0 347.292 3.523 50 30 EHEARN CCN(CC)c1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000492451 564017652 /nfs/dbraw/zinc/01/76/52/564017652.db2.gz UVUALJZNPFVGML-MRXNPFEDSA-N 0 0 340.467 3.780 50 30 EHEARN O=c1[nH][nH]c2c1[C@@H](c1ccccc1C(F)(F)F)C1=C(CCCC1=O)N2 ZINC000018195843 564018684 /nfs/dbraw/zinc/01/86/84/564018684.db2.gz GOIAUFJSZXLWNC-LBPRGKRZSA-N 0 0 349.312 3.699 50 30 EHEARN CCOc1ccc(C2=Nc3ncnn3/C2=N/Cc2ccc(C)cc2)cc1 ZINC000102651047 564020420 /nfs/dbraw/zinc/02/04/20/564020420.db2.gz ORXKWPBFTDUXIM-XUTLUUPISA-N 0 0 345.406 3.566 50 30 EHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1ccc(Cl)cc1 ZINC000104257454 564023807 /nfs/dbraw/zinc/02/38/07/564023807.db2.gz KVUHGRFMNZQQPJ-CLOOOTJHSA-N 0 0 330.815 3.511 50 30 EHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1ccc(Cl)cc1 ZINC000104257449 564023811 /nfs/dbraw/zinc/02/38/11/564023811.db2.gz KVUHGRFMNZQQPJ-JXMNSVBMSA-N 0 0 330.815 3.511 50 30 EHEARN N#CCC[C@H](C#N)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000106852152 564026701 /nfs/dbraw/zinc/02/67/01/564026701.db2.gz PTANEBZYOIMWSJ-WBMJQRKESA-N 0 0 338.238 3.810 50 30 EHEARN COc1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)cc1F ZINC000044843801 564027450 /nfs/dbraw/zinc/02/74/50/564027450.db2.gz IECAQRBXIIQOEU-CMDGGOBGSA-N 0 0 331.343 3.660 50 30 EHEARN CCN(C(=O)Cc1noc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500222 564028492 /nfs/dbraw/zinc/02/84/92/564028492.db2.gz OQGPATKJHHOMIM-AWEZNQCLSA-N 0 0 333.391 3.852 50 30 EHEARN O=C(N=C(NCc1cccnc1)Nc1cccc(F)c1)c1ccccc1 ZINC000046128183 564029636 /nfs/dbraw/zinc/02/96/36/564029636.db2.gz PNFUVJJORSTESC-UHFFFAOYSA-N 0 0 348.381 3.619 50 30 EHEARN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000048248564 564030235 /nfs/dbraw/zinc/03/02/35/564030235.db2.gz ZVAMTQNRHWZIPA-LLVKDONJSA-N 0 0 336.351 3.524 50 30 EHEARN CC1=NN(c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000048813605 564032298 /nfs/dbraw/zinc/03/22/98/564032298.db2.gz HOBJPMZAJTZXEM-MRXNPFEDSA-N 0 0 343.390 3.639 50 30 EHEARN C#CCOCC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000049028914 564032431 /nfs/dbraw/zinc/03/24/31/564032431.db2.gz TYGVXHFEAKPLDL-UHFFFAOYSA-N 0 0 340.345 3.599 50 30 EHEARN C=CCNc1nnc(SCC(=O)N(c2ccccc2)C(C)C)s1 ZINC000005785030 564052178 /nfs/dbraw/zinc/05/21/78/564052178.db2.gz HRCHDPLARCUICK-UHFFFAOYSA-N 0 0 348.497 3.670 50 30 EHEARN CCCCc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 ZINC000012529156 564058191 /nfs/dbraw/zinc/05/81/91/564058191.db2.gz QQWOAWQIBXIIJM-UHFFFAOYSA-N 0 0 332.407 3.889 50 30 EHEARN N#CC1(C(=O)NCc2csc(CCc3ccccc3)n2)CCCC1 ZINC000083006769 564060250 /nfs/dbraw/zinc/06/02/50/564060250.db2.gz WTORVYSGSKEMEP-UHFFFAOYSA-N 0 0 339.464 3.628 50 30 EHEARN N#Cc1ccc(OS(=O)(=O)c2ccc3c(c2)CCCC3)c(Cl)c1 ZINC000015335647 564060875 /nfs/dbraw/zinc/06/08/75/564060875.db2.gz RELRAVJIXMLADX-UHFFFAOYSA-N 0 0 347.823 3.858 50 30 EHEARN CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@H]2c2cccnc2)c1 ZINC000065435225 564066794 /nfs/dbraw/zinc/06/67/94/564066794.db2.gz ZWJSTSRQKYXWNS-FQEVSTJZSA-N 0 0 348.446 3.571 50 30 EHEARN CN(CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1-c1ccccc1 ZINC000063618035 564073455 /nfs/dbraw/zinc/07/34/55/564073455.db2.gz BMZCGZYIJUKBPE-NRFANRHFSA-N 0 0 333.435 3.598 50 30 EHEARN N#CCc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000085482948 564073623 /nfs/dbraw/zinc/07/36/23/564073623.db2.gz WAZVRLNVHKSNRL-LJQANCHMSA-N 0 0 332.403 3.630 50 30 EHEARN C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 ZINC000002154944 564074783 /nfs/dbraw/zinc/07/47/83/564074783.db2.gz YSKCFCLGAXDDGA-QGZVFWFLSA-N 0 0 330.409 3.944 50 30 EHEARN C=CCOc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002312510 564074823 /nfs/dbraw/zinc/07/48/23/564074823.db2.gz FUKXIYBRZWKTFJ-UHFFFAOYSA-N 0 0 338.432 3.891 50 30 EHEARN C[C@H](c1ccco1)N(C(=O)NCc1ccc(C#N)cc1F)C1CC1 ZINC000086394252 564075574 /nfs/dbraw/zinc/07/55/74/564075574.db2.gz IGKQIRJSAWKWNX-GFCCVEGCSA-N 0 0 327.359 3.726 50 30 EHEARN C=C(Br)Cn1c(CN2CCCCC2)nc2ccccc21 ZINC000015831608 564075905 /nfs/dbraw/zinc/07/59/05/564075905.db2.gz AYZHOJOJKIOHLN-UHFFFAOYSA-N 0 0 334.261 3.931 50 30 EHEARN CCN(CCC#N)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000088405751 564079103 /nfs/dbraw/zinc/07/91/03/564079103.db2.gz KULGYWNADXMERA-UHFFFAOYSA-N 0 0 330.613 3.870 50 30 EHEARN CC1=NOC(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000016268021 564081204 /nfs/dbraw/zinc/08/12/04/564081204.db2.gz CUHKLWYDZVROBW-MDWZMJQESA-N 0 0 326.308 3.788 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000013005101 564086393 /nfs/dbraw/zinc/08/63/93/564086393.db2.gz QHACDISDFZPKFD-NSHDSACASA-N 0 0 334.297 3.983 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)c1c(C)onc1-c1ccccc1 ZINC000006552239 564091921 /nfs/dbraw/zinc/09/19/21/564091921.db2.gz SYKWYZFDRVAFIA-UHFFFAOYSA-N 0 0 334.331 3.750 50 30 EHEARN COc1ccc(Br)cc1C=C1C(=O)c2ccccc2C1=O ZINC000006582416 564092292 /nfs/dbraw/zinc/09/22/92/564092292.db2.gz XXSIHILFBAXOPY-UHFFFAOYSA-N 0 0 343.176 3.920 50 30 EHEARN COc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)cc1 ZINC000006768469 564097435 /nfs/dbraw/zinc/09/74/35/564097435.db2.gz HHGFIFGXHRAVPF-UHFFFAOYSA-N 0 0 335.411 3.954 50 30 EHEARN N#Cc1ccccc1COC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000006886733 564100681 /nfs/dbraw/zinc/10/06/81/564100681.db2.gz LSLGPOAAURVIQW-UHFFFAOYSA-N 0 0 346.342 3.761 50 30 EHEARN N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 ZINC000007113300 564104928 /nfs/dbraw/zinc/10/49/28/564104928.db2.gz KRDCAGBIWCLJES-OAHLLOKOSA-N 0 0 331.297 3.687 50 30 EHEARN N#Cc1cc(CNc2ccn(-c3ncccc3Cl)n2)ccc1F ZINC000089663030 564112985 /nfs/dbraw/zinc/11/29/85/564112985.db2.gz RWLOUQDINOXURE-UHFFFAOYSA-N 0 0 327.750 3.544 50 30 EHEARN N#Cc1ccnc(N2CCC(c3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000089872998 564114384 /nfs/dbraw/zinc/11/43/84/564114384.db2.gz RMHORIPINXHYGL-UHFFFAOYSA-N 0 0 347.378 3.727 50 30 EHEARN CO[C@@H](C)c1cccc(NC(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000089905241 564115109 /nfs/dbraw/zinc/11/51/09/564115109.db2.gz GHIRSKRGUXUHTO-HNNXBMFYSA-N 0 0 338.411 3.737 50 30 EHEARN COc1cc2c(cc1O)CCN(/C(C)=C1\C(=O)C[C@H]3[C@@H]1C3(C)C)[C@@H]2C ZINC000002104481 564117879 /nfs/dbraw/zinc/11/78/79/564117879.db2.gz KJMAECMWADQLQD-HVAFFTNDSA-N 0 0 341.451 3.839 50 30 biogenic EHEARN CC1(C)CC(=O)C=C(Nn2cnc3sc4c(c3c2=O)CCCC4)C1 ZINC000252511019 564120051 /nfs/dbraw/zinc/12/00/51/564120051.db2.gz DADPBWYGIOBEBH-UHFFFAOYSA-N 0 0 343.452 3.803 50 30 EHEARN N#C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)C1CC1 ZINC000170650819 564120354 /nfs/dbraw/zinc/12/03/54/564120354.db2.gz MCFCUGFNIONSIZ-SFHVURJKSA-N 0 0 335.407 3.600 50 30 EHEARN COCn1c2ccccc2c2c1C1(CCC2=NO)SCCS1 ZINC000252597255 564121106 /nfs/dbraw/zinc/12/11/06/564121106.db2.gz CQQWHONULIBCST-UHFFFAOYSA-N 0 0 334.466 3.850 50 30 EHEARN CC(=CCc1ccco1)N=Nc1nnc2c3cccc(C)c3[nH]c2n1 ZINC000027499014 564125389 /nfs/dbraw/zinc/12/53/89/564125389.db2.gz DODDGSVLMJPKOV-QYXBQQPHSA-N 0 0 332.367 3.909 50 30 EHEARN CC(C)Oc1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)nc1 ZINC000253432728 564131920 /nfs/dbraw/zinc/13/19/20/564131920.db2.gz NDFSEPXJDGSQEO-UHFFFAOYSA-N 0 0 329.787 3.670 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000000181130 564132978 /nfs/dbraw/zinc/13/29/78/564132978.db2.gz BQUQHSLULAFDTC-UHFFFAOYSA-N 0 0 331.828 3.954 50 30 EHEARN Cc1cccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)c1 ZINC000000238759 564133051 /nfs/dbraw/zinc/13/30/51/564133051.db2.gz MACQCFFZNOACCP-UHFFFAOYSA-N 0 0 337.448 3.871 50 30 EHEARN CCOC(=O)c1sc(NC(=O)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000000512855 564133354 /nfs/dbraw/zinc/13/33/54/564133354.db2.gz HDUZVWJJDRPJFS-UHFFFAOYSA-N 0 0 342.420 3.974 50 30 EHEARN N#Cc1cccnc1NCc1cccnc1N1CCc2ccccc2C1 ZINC000067688689 564134875 /nfs/dbraw/zinc/13/48/75/564134875.db2.gz IYDWOBJGBJYUOG-UHFFFAOYSA-N 0 0 341.418 3.523 50 30 EHEARN C=CCNC(=O)C1(c2ccc(NC(=O)c3cccc(C)c3)cc2)CCC1 ZINC000013350750 564136239 /nfs/dbraw/zinc/13/62/39/564136239.db2.gz YWRDMPIRBDIXBZ-UHFFFAOYSA-N 0 0 348.446 3.971 50 30 EHEARN N#CC1(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CCCC1 ZINC000328588746 564136620 /nfs/dbraw/zinc/13/66/20/564136620.db2.gz WAOWZZIHSROYEA-FXAWDEMLSA-N 0 0 344.430 3.940 50 30 EHEARN Cc1cc(Cl)cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1O ZINC000390833861 564138848 /nfs/dbraw/zinc/13/88/48/564138848.db2.gz OCMANVZUWBMILW-CQSZACIVSA-N 0 0 339.782 3.547 50 30 EHEARN Cc1oc(C#N)cc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000281054144 564141933 /nfs/dbraw/zinc/14/19/33/564141933.db2.gz XPDIMZYFUKQQJB-UHFFFAOYSA-N 0 0 337.423 3.784 50 30 EHEARN N#Cc1cc(NCc2cccnc2OC2CCCC2)ccc1[N+](=O)[O-] ZINC000095972544 564143454 /nfs/dbraw/zinc/14/34/54/564143454.db2.gz HHRVQOWJDNNNRL-UHFFFAOYSA-N 0 0 338.367 3.795 50 30 EHEARN COc1ccc(-c2nc(C#N)c(NCCOc3ccccc3)o2)cc1 ZINC000096345956 564146850 /nfs/dbraw/zinc/14/68/50/564146850.db2.gz SBHPEXPGXGNFJJ-UHFFFAOYSA-N 0 0 335.363 3.713 50 30 EHEARN Cn1cc(/C=C\C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cn1 ZINC000096401310 564147074 /nfs/dbraw/zinc/14/70/74/564147074.db2.gz WACDBOUFEMMRLP-WCIBSUBMSA-N 0 0 329.359 3.578 50 30 EHEARN O=C(/C=C\c1cccnc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000096401495 564147101 /nfs/dbraw/zinc/14/71/01/564147101.db2.gz LJZCMQPSPBLCSN-BENRWUELSA-N 0 0 325.371 3.528 50 30 EHEARN C[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000096436958 564148051 /nfs/dbraw/zinc/14/80/51/564148051.db2.gz RMGJSHZJJXFLTD-AWEZNQCLSA-N 0 0 333.391 3.775 50 30 EHEARN N#Cc1c2c(sc1NC(=O)CN1CC[C@@H]3CCCC[C@@H]3C1)CCC2 ZINC000008132902 564163081 /nfs/dbraw/zinc/16/30/81/564163081.db2.gz PONCICRLDOWJID-UONOGXRCSA-N 0 0 343.496 3.559 50 30 EHEARN N#Cc1cccc(OC2CCN(C(=O)CCc3cccs3)CC2)c1 ZINC000171552231 564164942 /nfs/dbraw/zinc/16/49/42/564164942.db2.gz ULDLCNMYICOBKC-UHFFFAOYSA-N 0 0 340.448 3.622 50 30 EHEARN N#CCSc1nnc(Nc2cccc(Br)c2)s1 ZINC000008485010 564165414 /nfs/dbraw/zinc/16/54/14/564165414.db2.gz DSQUKEGAKJDQIJ-UHFFFAOYSA-N 0 0 327.232 3.660 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000069744845 564171987 /nfs/dbraw/zinc/17/19/87/564171987.db2.gz ZTAXDMKJUWARCW-UHFFFAOYSA-N 0 0 333.313 3.656 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000069769368 564172006 /nfs/dbraw/zinc/17/20/06/564172006.db2.gz WGCCJOBYYFAIKM-UHFFFAOYSA-N 0 0 339.376 3.926 50 30 EHEARN C[C@H](NC(=O)c1cccc(C#N)c1)c1nc(-c2ccncc2)cs1 ZINC000069918272 564172792 /nfs/dbraw/zinc/17/27/92/564172792.db2.gz WVBVFKPSEOSTGW-LBPRGKRZSA-N 0 0 334.404 3.568 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC000069981056 564173108 /nfs/dbraw/zinc/17/31/08/564173108.db2.gz POZZXEJTRBLRSN-INIZCTEOSA-N 0 0 340.354 3.507 50 30 EHEARN Cc1cnc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cn1 ZINC000070039533 564173493 /nfs/dbraw/zinc/17/34/93/564173493.db2.gz FPXFSTFUKWCFIH-UHFFFAOYSA-N 0 0 346.415 3.736 50 30 EHEARN Cc1ccccc1-n1ncc(C(=O)C(C#N)c2ccccn2)c1C1CC1 ZINC000041481072 564173962 /nfs/dbraw/zinc/17/39/62/564173962.db2.gz UGYBXKHYWULHEK-INIZCTEOSA-N 0 0 342.402 3.943 50 30 EHEARN N#Cc1cccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000041788386 564174370 /nfs/dbraw/zinc/17/43/70/564174370.db2.gz HLXVYCYKFATHLY-VYENPZKTSA-N 0 0 342.402 3.811 50 30 EHEARN N#Cc1cccc(C(=O)NCC[C@H](O)c2cccc3ccccc32)c1 ZINC000077116427 564176625 /nfs/dbraw/zinc/17/66/25/564176625.db2.gz AKAQLGSQVFCVJA-FQEVSTJZSA-N 0 0 330.387 3.565 50 30 EHEARN Cc1c(N=Cc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000254765250 1017297808 /nfs/dbraw/zinc/29/78/08/1017297808.db2.gz JVBNUGGDDDTNSS-UHFFFAOYSA-N 0 0 325.799 3.888 50 30 EHEARN C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000002894561 1026878884 /nfs/dbraw/zinc/87/88/84/1026878884.db2.gz GURDOEIRRAAHBJ-QZTJIDSGSA-N 0 0 334.419 3.663 50 30 EHEARN O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1ccc2c(c1)OCO2 ZINC000045499712 1036466212 /nfs/dbraw/zinc/46/62/12/1036466212.db2.gz PDGPJTCBQMLNNC-SOFGYWHQSA-N 0 0 332.359 3.556 50 30 EHEARN C=CCNc1nnc(S[C@H](C)C(=O)Nc2cccc(C)c2)s1 ZINC000005784156 1039715640 /nfs/dbraw/zinc/71/56/40/1039715640.db2.gz DEAPOVYLJFUHNI-LLVKDONJSA-N 0 0 334.470 3.564 50 30 EHEARN COC(=O)[C@H](c1ccccc1C(F)(F)F)N1CCC(C)(C#N)CC1 ZINC000330811898 1040866874 /nfs/dbraw/zinc/86/68/74/1040866874.db2.gz NCOWVFDUWHTFRG-AWEZNQCLSA-N 0 0 340.345 3.545 50 30 EHEARN CC(C)(O)C#Cc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)s1 ZINC000826585065 1131327631 /nfs/dbraw/zinc/32/76/31/1131327631.db2.gz QKAVMPWXMUKIFW-GOSISDBHSA-N 0 0 329.440 3.957 50 30 EHEARN CC(C)(C#N)CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000585129747 1137019410 /nfs/dbraw/zinc/01/94/10/1137019410.db2.gz USAFVIFCMPKLPT-UHFFFAOYSA-N 0 0 340.754 3.650 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC(COc3ccccc3)CC2)N=N1 ZINC000952880800 1137483179 /nfs/dbraw/zinc/48/31/79/1137483179.db2.gz LYUAWSCMXBSWNI-UHFFFAOYSA-N 0 0 339.439 3.660 50 30 EHEARN C#CCCC1(CCC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)N=N1 ZINC000952880987 1137483492 /nfs/dbraw/zinc/48/34/92/1137483492.db2.gz NCCJOKLOUTXGMF-ZDUSSCGKSA-N 0 0 341.377 3.923 50 30 EHEARN C=C(C)COc1c(CN[C@@H](c2nccn2C)C(C)C)cccc1OC ZINC000055324880 214306685 /nfs/dbraw/zinc/30/66/85/214306685.db2.gz UYYOHXPWYJYZBN-GOSISDBHSA-N 0 0 343.471 3.871 50 30 EHEARN CCCCCCCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC ZINC000097950543 219064236 /nfs/dbraw/zinc/06/42/36/219064236.db2.gz XURAMLRJHCEWGU-UHFFFAOYSA-N 0 0 337.460 3.850 50 30 EHEARN CCn1cc(/C=C2\CCC/C(=C\c3cn(CC)nc3C)C2=O)c(C)n1 ZINC000004651149 210238792 /nfs/dbraw/zinc/23/87/92/210238792.db2.gz CLLNKYQVACUVRB-OTYYAQKOSA-N 0 0 338.455 3.956 50 30 EHEARN Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000058414526 214578125 /nfs/dbraw/zinc/57/81/25/214578125.db2.gz MQBZMJOEQLPIAJ-VQHVLOKHSA-N 0 0 330.347 3.569 50 30 EHEARN CCOC(=O)c1c(CC(C)C)csc1NC=C1C(=O)CCCC1=O ZINC000100292171 219096240 /nfs/dbraw/zinc/09/62/40/219096240.db2.gz NCCNTCNLESPGMA-DJKKODMXSA-N 0 0 349.452 3.764 50 30 EHEARN COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)C/C(=N/O)[C@H]2C)cc1 ZINC000100398673 219098245 /nfs/dbraw/zinc/09/82/45/219098245.db2.gz OYGRPLURZDNYIE-VZYOSZTLSA-N 0 0 340.423 3.946 50 30 EHEARN O=C(/N=C1/SCC(=O)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000100395483 219098602 /nfs/dbraw/zinc/09/86/02/219098602.db2.gz TYOPUDKGHVMZNS-FBMGVBCBSA-N 0 0 330.796 3.616 50 30 EHEARN CC1(C)CC(=O)C(=CNCc2ccc(Cl)c(Cl)c2)C(=O)C1 ZINC000100500620 219100646 /nfs/dbraw/zinc/10/06/46/219100646.db2.gz IWZBYFCSGBPHDF-UHFFFAOYSA-N 0 0 326.223 3.925 50 30 EHEARN N#CCCCOc1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc1 ZINC000004386096 210185476 /nfs/dbraw/zinc/18/54/76/210185476.db2.gz LJCWQBSLBAYIEV-ZZXKWVIFSA-N 0 0 349.312 3.642 50 30 EHEARN Cc1ccsc1C(=O)N1CCCn2cc(-c3cccc(C#N)c3)nc21 ZINC000065259568 214855466 /nfs/dbraw/zinc/85/54/66/214855466.db2.gz QLVWAQSYQHZXKM-UHFFFAOYSA-N 0 0 348.431 3.842 50 30 EHEARN N#Cc1cccc(-c2cn3c(n2)N(C(=O)c2ccccc2F)CCC3)c1 ZINC000065259565 214855837 /nfs/dbraw/zinc/85/58/37/214855837.db2.gz UPWWFYYLPPRFEG-UHFFFAOYSA-N 0 0 346.365 3.611 50 30 EHEARN N#Cc1sc(NC(=O)c2ccc(Br)cc2)nc1Cl ZINC000004106250 210121151 /nfs/dbraw/zinc/12/11/51/210121151.db2.gz OASRSXAQXUEPBK-UHFFFAOYSA-N 0 0 342.605 3.683 50 30 EHEARN Cc1ccc(OC2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1C ZINC000046399520 213798340 /nfs/dbraw/zinc/79/83/40/213798340.db2.gz HHEYMEHFINWOIG-UHFFFAOYSA-N 0 0 326.440 3.757 50 30 EHEARN Cc1cc(C(F)(F)F)c(C#N)c(OCc2ccc(Cl)nc2)n1 ZINC000004051104 210109505 /nfs/dbraw/zinc/10/95/05/210109505.db2.gz WEAGDZVJXCMSPQ-UHFFFAOYSA-N 0 0 327.693 3.908 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033484 210104396 /nfs/dbraw/zinc/10/43/96/210104396.db2.gz IOFVDWAGXMJKFD-KRWDZBQOSA-N 0 0 331.419 3.738 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000004033250 210104643 /nfs/dbraw/zinc/10/46/43/210104643.db2.gz HFTQBKLOWVOGTH-KRWDZBQOSA-N 0 0 343.430 3.807 50 30 EHEARN COC(=O)c1sccc1NN=Cc1cc(Br)cs1 ZINC000003909666 210093001 /nfs/dbraw/zinc/09/30/01/210093001.db2.gz CGPNEPSNXYEWAP-WLRTZDKTSA-N 0 0 345.243 3.805 50 30 EHEARN CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2)cn1 ZINC000066511241 215049736 /nfs/dbraw/zinc/04/97/36/215049736.db2.gz JAEVNRFRVGXOOQ-UHFFFAOYSA-N 0 0 338.367 3.553 50 30 EHEARN N#Cc1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1 ZINC000003564549 210055831 /nfs/dbraw/zinc/05/58/31/210055831.db2.gz GYHMYWOVJATHDS-UHFFFAOYSA-N 0 0 346.180 3.557 50 30 EHEARN Cc1cnc(-c2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)o1 ZINC000066809656 215080968 /nfs/dbraw/zinc/08/09/68/215080968.db2.gz JERHAGZVDLCVKK-AWEZNQCLSA-N 0 0 347.374 3.928 50 30 EHEARN CCOc1ccc(-n2c(SCC#N)nnc2-c2ccccc2)cc1 ZINC000003400033 210028355 /nfs/dbraw/zinc/02/83/55/210028355.db2.gz AGAKIFPMRFNSIF-UHFFFAOYSA-N 0 0 336.420 3.949 50 30 EHEARN C=CCN(CC=C)Cn1nc(-c2c[nH]c3ccccc23)oc1=S ZINC000003369190 210019530 /nfs/dbraw/zinc/01/95/30/210019530.db2.gz IVAXBSGGBQOLQA-UHFFFAOYSA-N 0 0 326.425 3.985 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1 ZINC000003299518 210000054 /nfs/dbraw/zinc/00/00/54/210000054.db2.gz UZSNJOQFRCTPQM-NSHDSACASA-N 0 0 330.181 3.971 50 30 EHEARN CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)NC(C)(C)C ZINC000003189561 209975046 /nfs/dbraw/zinc/97/50/46/209975046.db2.gz BYJAAHZTCGIMHX-UHFFFAOYSA-N 0 0 332.231 3.670 50 30 EHEARN N#C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1Cl ZINC000179483024 233084423 /nfs/dbraw/zinc/08/44/23/233084423.db2.gz AEEOXUPOYAUIMI-CHWSQXEVSA-N 0 0 347.827 3.643 50 30 EHEARN Cn1ccc2ccc(-c3cc(-c4ccccn4)nc(N)c3C#N)cc21 ZINC000067846925 215229191 /nfs/dbraw/zinc/22/91/91/215229191.db2.gz XATKUSILKAZUCR-UHFFFAOYSA-N 0 0 325.375 3.756 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CSc1ccccc1-2 ZINC000067878178 215237863 /nfs/dbraw/zinc/23/78/63/215237863.db2.gz PXJVIVXRVDLSBS-UHFFFAOYSA-N 0 0 335.388 3.560 50 30 EHEARN CC(C)(O)C#Cc1ccc(-c2nccn2-c2ccc3c[nH]nc3c2)s1 ZINC000067947565 215255852 /nfs/dbraw/zinc/25/58/52/215255852.db2.gz CKMWVWADEKZGSL-UHFFFAOYSA-N 0 0 348.431 3.600 50 30 EHEARN OCC#Cc1csc(-c2nccn2Cc2ccccc2Cl)c1 ZINC000067965306 215260467 /nfs/dbraw/zinc/26/04/67/215260467.db2.gz VGMLQKNDKVBXTM-UHFFFAOYSA-N 0 0 328.824 3.657 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1OC ZINC000002721382 209895827 /nfs/dbraw/zinc/89/58/27/209895827.db2.gz QFUVQXLVRVNADC-AWEZNQCLSA-N 0 0 335.407 3.722 50 30 EHEARN Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(OCC#N)cc1 ZINC000040553433 213348174 /nfs/dbraw/zinc/34/81/74/213348174.db2.gz IHPJKTBRIKYYKV-UHFFFAOYSA-N 0 0 339.782 3.986 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@@H]2c2ccc(F)cc2)C1 ZINC000040267748 213286060 /nfs/dbraw/zinc/28/60/60/213286060.db2.gz QWRCOHYHDCYXKO-QGZVFWFLSA-N 0 0 336.370 3.552 50 30 EHEARN N#Cc1ccc(Nc2ccc(Oc3cnccn3)cc2)c([N+](=O)[O-])c1 ZINC000040153698 213274401 /nfs/dbraw/zinc/27/44/01/213274401.db2.gz KFFUIVLMPCGPAH-UHFFFAOYSA-N 0 0 333.307 3.792 50 30 EHEARN C=CCn1c2nc3ccccc3nc2c2c1nc(C)n([C@@H](C)CC)c2=O ZINC000000539401 209655796 /nfs/dbraw/zinc/65/57/96/209655796.db2.gz GDZGUUPHBBETSS-LBPRGKRZSA-N 0 0 347.422 3.760 50 30 EHEARN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc2c1OCO2 ZINC000000063625 209396391 /nfs/dbraw/zinc/39/63/91/209396391.db2.gz RWBOKVNAAGIFND-AWQFTUOYSA-N 0 0 340.404 3.986 50 30 EHEARN C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000046235 209388146 /nfs/dbraw/zinc/38/81/46/209388146.db2.gz KCRSEZXSWSYFAT-LDADJPATSA-N 0 0 328.397 3.614 50 30 EHEARN C=CCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000022204659 212282715 /nfs/dbraw/zinc/28/27/15/212282715.db2.gz MPWVFTYGLDYHJM-QWHCGFSZSA-N 0 0 342.420 3.546 50 30 EHEARN N#Cc1ccc(F)c(COC(=O)c2ccccc2Br)c1 ZINC000022132577 212279673 /nfs/dbraw/zinc/27/96/73/212279673.db2.gz JHYUQQBXOOCKCM-UHFFFAOYSA-N 0 0 334.144 3.817 50 30 EHEARN N#Cc1ccc(CCC(=O)NCc2ccnc(-c3ccsc3)c2)cc1 ZINC000225755513 242020332 /nfs/dbraw/zinc/02/03/32/242020332.db2.gz SERSMUGZNVMKPD-UHFFFAOYSA-N 0 0 347.443 3.931 50 30 EHEARN CCc1nc(C#N)c(NC[C@H](c2ccc(F)cc2F)N2CCCC2)o1 ZINC000227155882 242123252 /nfs/dbraw/zinc/12/32/52/242123252.db2.gz BFRVVOHYNYOUDO-MRXNPFEDSA-N 0 0 346.381 3.636 50 30 EHEARN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(CC#N)c2)C12CCCCC2 ZINC000076022525 216686536 /nfs/dbraw/zinc/68/65/36/216686536.db2.gz SSWFEWMWSHXABM-OALUTQOASA-N 0 0 340.467 3.953 50 30 EHEARN N#Cc1ccc(OCCOC(=O)CCc2ccc3ccccc3n2)cc1 ZINC000021432288 212224901 /nfs/dbraw/zinc/22/49/01/212224901.db2.gz XFAKOGDYMHREPQ-UHFFFAOYSA-N 0 0 346.386 3.661 50 30 EHEARN COc1cc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000020290149 212117050 /nfs/dbraw/zinc/11/70/50/212117050.db2.gz BETCPQFHPZTBJL-BCUQMESKSA-N 0 0 328.286 3.912 50 30 EHEARN Cc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019879675 212078200 /nfs/dbraw/zinc/07/82/00/212078200.db2.gz UIOPAVMKFJOFCQ-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl ZINC000019314864 212013995 /nfs/dbraw/zinc/01/39/95/212013995.db2.gz KHAVUVLSKFFNKD-KRWDZBQOSA-N 0 0 345.826 3.871 50 30 EHEARN C=CCOC(=O)c1sc(N=NCc2cccc(Cl)c2)nc1C ZINC000015230293 211809524 /nfs/dbraw/zinc/80/95/24/211809524.db2.gz IQPSCYDMIOGQQU-RQZCQDPDSA-N 0 0 335.816 3.894 50 30 EHEARN CC(=O)N1CC=C(c2ccc(OCc3ccc(C#N)cc3)cc2)CC1 ZINC000014181428 211701325 /nfs/dbraw/zinc/70/13/25/211701325.db2.gz YXGNBFNACAWYNQ-UHFFFAOYSA-N 0 0 332.403 3.773 50 30 EHEARN Cc1nc(C2CC2)nc(S[C@H](C)C(=O)Nc2ccccc2)c1C#N ZINC000012971497 211494269 /nfs/dbraw/zinc/49/42/69/211494269.db2.gz YVEFSQRWIMEBEQ-GFCCVEGCSA-N 0 0 338.436 3.653 50 30 EHEARN Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C#N)c(C)c1C ZINC000012525046 211398767 /nfs/dbraw/zinc/39/87/67/211398767.db2.gz JTJDMLIDTCJONQ-PSTGCABASA-N 0 0 345.512 3.912 50 30 EHEARN C[C@H](NC(=O)N(C[C@H](O)c1ccccc1)C1CC1)c1ccc(C#N)cc1 ZINC000089904742 217878981 /nfs/dbraw/zinc/87/89/81/217878981.db2.gz XPLOUTRXXSMSFZ-YWZLYKJASA-N 0 0 349.434 3.527 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000010646104 211183909 /nfs/dbraw/zinc/18/39/09/211183909.db2.gz IUOKJNROJISWRO-ZUZCIYMTSA-N 0 0 329.227 3.815 50 30 in-vitro EHEARN C=CCNc1nnc(SCc2cc3c(c(Cl)c2)OCO3)s1 ZINC000008983070 211025975 /nfs/dbraw/zinc/02/59/75/211025975.db2.gz ISPHZERAHRIFSY-UHFFFAOYSA-N 0 0 341.845 3.810 50 30 EHEARN O=C1c2cccc(F)c2S(=O)(=O)C/C1=C/c1ccc(Cl)cc1 ZINC000008777206 211005316 /nfs/dbraw/zinc/00/53/16/211005316.db2.gz FWUJSRZBTWRVGL-FLIBITNWSA-N 0 0 336.771 3.533 50 30 EHEARN N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000008757041 211001031 /nfs/dbraw/zinc/00/10/31/211001031.db2.gz GLWKURGLVDDQIS-UHFFFAOYSA-N 0 0 339.782 3.591 50 30 EHEARN C[C@H](C#N)CNC(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000095410847 218347594 /nfs/dbraw/zinc/34/75/94/218347594.db2.gz VIVGWXAKMMRFKE-ZCFIWIBFSA-N 0 0 338.141 3.876 50 30 EHEARN COc1cc(COc2ccc(C#N)cc2)c(OC)cc1Br ZINC000007890318 210860790 /nfs/dbraw/zinc/86/07/90/210860790.db2.gz HTHADBSYTDAAOB-UHFFFAOYSA-N 0 0 348.196 3.917 50 30 EHEARN COc1ccccc1[C@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000006995454 210753000 /nfs/dbraw/zinc/75/30/00/210753000.db2.gz KYFJPYWXCUCRPE-KRWDZBQOSA-N 0 0 337.423 3.927 50 30 EHEARN CCCCC1CCC(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000006917156 210743233 /nfs/dbraw/zinc/74/32/33/210743233.db2.gz YKHDRFZCKUMTON-LADRWXRNSA-N 0 0 336.476 3.581 50 30 EHEARN N#Cc1cnn2c1N[C@@H](C13CC4CC(CC(C4)C1)C3)C[C@@H]2C(F)F ZINC000006828426 210723500 /nfs/dbraw/zinc/72/35/00/210723500.db2.gz SJPDWOBGRWLIFY-LYQLENARSA-N 0 0 332.398 3.962 50 30 EHEARN C=CCNC(=S)N(Cc1ccccc1Cl)C1=NC[C@@H](C)S1 ZINC000005747762 210528847 /nfs/dbraw/zinc/52/88/47/210528847.db2.gz RIVJXMFNCAMLSX-LLVKDONJSA-N 0 0 339.917 3.694 50 30 EHEARN COc1ccccc1[C@@H](C#N)NC(=O)c1nc(C)oc1-c1ccccc1 ZINC000097115703 218963859 /nfs/dbraw/zinc/96/38/59/218963859.db2.gz LZHWHCRXHKURJF-MRXNPFEDSA-N 0 0 347.374 3.653 50 30 EHEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccccc1 ZINC000005005500 210359136 /nfs/dbraw/zinc/35/91/36/210359136.db2.gz UAUVPRONXAAGKY-LFKWTMBYSA-N 0 0 349.459 3.749 50 30 EHEARN Cc1ccc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000005003614 210357885 /nfs/dbraw/zinc/35/78/85/210357885.db2.gz XULYEZHPTYEFIC-RGVLZGJSSA-N 0 0 337.448 3.836 50 30 EHEARN CCn1c(C)cs/c1=N/N=C(\C)c1ccc(Br)cc1 ZINC000004749674 210268256 /nfs/dbraw/zinc/26/82/56/210268256.db2.gz GQWPANXECPGWAF-GIROIBLESA-N 0 0 338.274 3.965 50 30 EHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(C)cc1 ZINC000007349911 257927197 /nfs/dbraw/zinc/92/71/97/257927197.db2.gz AWAXQAYOKWUFMH-VXPUYCOJSA-N 0 0 338.432 3.947 50 30 EHEARN CC(=O)Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000118915 258047400 /nfs/dbraw/zinc/04/74/00/258047400.db2.gz NEWYSHPGRYSFIW-UHFFFAOYSA-N 0 0 341.750 3.553 50 30 EHEARN C=CCN(Cc1nccn1Cc1ccccc1Cl)C(=O)C1CC1 ZINC000006689891 258044121 /nfs/dbraw/zinc/04/41/21/258044121.db2.gz HFTZDGRVXADMIO-UHFFFAOYSA-N 0 0 329.831 3.509 50 30 EHEARN O=C(Nc1ccc(OC(F)F)nc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330032530 258002614 /nfs/dbraw/zinc/00/26/14/258002614.db2.gz OXXVECQKMLTLSR-UHFFFAOYSA-N 0 0 343.673 3.881 50 30 EHEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000004185044 258046931 /nfs/dbraw/zinc/04/69/31/258046931.db2.gz IISJQMBUYPCJEB-MRXNPFEDSA-N 0 0 344.480 3.506 50 30 EHEARN O=[N+]([O-])c1cccnc1ON=C(c1cccs1)c1cccs1 ZINC000000109789 258047264 /nfs/dbraw/zinc/04/72/64/258047264.db2.gz WOHGNYMTJUDFHF-UHFFFAOYSA-N 0 0 331.378 3.944 50 30 EHEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(O)c1 ZINC000019923561 258057102 /nfs/dbraw/zinc/05/71/02/258057102.db2.gz FSQCSTGUATZLGJ-KDOFPFPSSA-N 0 0 345.439 3.893 50 30 EHEARN O=[N+]([O-])c1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000000247589 135647875 /nfs/dbraw/zinc/64/78/75/135647875.db2.gz BJSSMOISAIIAHS-XDHOZWIPSA-N 0 0 345.786 3.835 50 30 EHEARN C=CCCC(=O)NC[C@@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 ZINC000014994403 518694437 /nfs/dbraw/zinc/69/44/37/518694437.db2.gz XUHIJGUILZVHDL-SFHVURJKSA-N 0 0 349.430 3.942 50 30 EHEARN C=CCN(Cc1cccs1)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000023738885 518790388 /nfs/dbraw/zinc/79/03/88/518790388.db2.gz OLXYSTGUWRKRNV-UHFFFAOYSA-N 0 0 328.437 3.732 50 30 EHEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccncc2)cc1 ZINC000244898874 519009912 /nfs/dbraw/zinc/00/99/12/519009912.db2.gz ZDCUWFOHNUDXCK-UHFFFAOYSA-N 0 0 337.452 3.809 50 30 EHEARN C=CCSc1ncccc1C(=O)NCCc1ccc(Cl)cc1 ZINC000006921520 519083702 /nfs/dbraw/zinc/08/37/02/519083702.db2.gz NEOKUZUFXYGMCZ-UHFFFAOYSA-N 0 0 332.856 3.986 50 30 EHEARN CC(C)(C)c1nc(CSc2nc3ccccc3n2CCC#N)no1 ZINC000012535597 519102814 /nfs/dbraw/zinc/10/28/14/519102814.db2.gz WZQHSWICDGJTQA-UHFFFAOYSA-N 0 0 341.440 3.923 50 30 EHEARN C=CCn1c2ccccc2nc1SCC(=O)N1CCc2ccccc21 ZINC000004485683 519267936 /nfs/dbraw/zinc/26/79/36/519267936.db2.gz AKYIXTGJFWJOAR-UHFFFAOYSA-N 0 0 349.459 3.904 50 30 EHEARN CC(C)n1nc(-c2ccco2)cc1NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328588454 520066876 /nfs/dbraw/zinc/06/68/76/520066876.db2.gz PNIMLPURCBNBNE-CXAGYDPISA-N 0 0 344.415 3.617 50 30 EHEARN CCC(=O)NCC(=O)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000328591855 520183380 /nfs/dbraw/zinc/18/33/80/520183380.db2.gz WYLVXFRZNOMMNG-UONOGXRCSA-N 0 0 326.343 3.588 50 30 EHEARN CC[C@@H](C(=O)[C@@H](C#N)c1nccn1CC(F)(F)F)c1ccccc1 ZINC000071913664 521893106 /nfs/dbraw/zinc/89/31/06/521893106.db2.gz YSEBXNYUSARLGJ-ZIAGYGMSSA-N 0 0 335.329 3.815 50 30 EHEARN COc1ccc(CN=Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000004813662 523441567 /nfs/dbraw/zinc/44/15/67/523441567.db2.gz JDKRFLVNEGWBBX-YBFXNURJSA-N 0 0 339.420 3.695 50 30 EHEARN CCc1ccc(NC(=O)[C@H](C#N)Cc2ccc(OC)cc2OC)cc1 ZINC000057524942 523989193 /nfs/dbraw/zinc/98/91/93/523989193.db2.gz WWTPYSTVRMFDKD-INIZCTEOSA-N 0 0 338.407 3.587 50 30 EHEARN Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(C#N)cc2)c1 ZINC000002625264 524406955 /nfs/dbraw/zinc/40/69/55/524406955.db2.gz MVPBYDIOIDCTFT-UHFFFAOYSA-N 0 0 333.391 3.501 50 30 EHEARN COc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1OC(C)C ZINC000184196877 524569935 /nfs/dbraw/zinc/56/99/35/524569935.db2.gz LMGKAXMKKAWEQU-UHFFFAOYSA-N 0 0 339.395 3.676 50 30 EHEARN C[C@H](SCc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1 ZINC000065494125 525979811 /nfs/dbraw/zinc/97/98/11/525979811.db2.gz ONGSCZIZRIBDNO-INIZCTEOSA-N 0 0 339.464 3.646 50 30 EHEARN C[C@@H](Sc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1 ZINC000012547044 525990366 /nfs/dbraw/zinc/99/03/66/525990366.db2.gz QAQPGSBSQMNPGE-OAHLLOKOSA-N 0 0 325.437 3.505 50 30 EHEARN N#CCOC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC000005583239 526473426 /nfs/dbraw/zinc/47/34/26/526473426.db2.gz QOEIHQPYYLVYDJ-UHFFFAOYSA-N 0 0 346.180 3.708 50 30 EHEARN O=C(c1ccco1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1 ZINC000000796000 526825065 /nfs/dbraw/zinc/82/50/65/526825065.db2.gz USVZWKCEDSGKSC-QGZVFWFLSA-N 0 0 349.342 3.651 50 30 EHEARN O=C(/C=C/c1ccccc1)OCC#CCOC(=O)/C=C/c1ccccc1 ZINC000003040361 527634124 /nfs/dbraw/zinc/63/41/24/527634124.db2.gz OVECMMGGDVWFGD-WXUKJITCSA-N 0 0 346.382 3.503 50 30 EHEARN COc1ccc([C@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1 ZINC000000275572 563270695 /nfs/dbraw/zinc/27/06/95/563270695.db2.gz YXXSBPFUSBMROQ-IBGZPJMESA-N 0 0 338.407 3.755 50 30 EHEARN COc1ccc(C=NOC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000000290461 563273392 /nfs/dbraw/zinc/27/33/92/563273392.db2.gz MVQUFLYZYWWFBY-VCHYOVAHSA-N 0 0 334.759 3.940 50 30 EHEARN COC(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000000588042 563352161 /nfs/dbraw/zinc/35/21/61/563352161.db2.gz GMIGZHGBAWJBLT-RQZCQDPDSA-N 0 0 334.169 3.692 50 30 EHEARN N#CCCCCCC(=O)c1ccccc1I ZINC000002392836 563431643 /nfs/dbraw/zinc/43/16/43/563431643.db2.gz KWIGUDCXIUUADZ-UHFFFAOYSA-N 0 0 327.165 3.948 50 30 EHEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 ZINC000006493773 563569933 /nfs/dbraw/zinc/56/99/33/563569933.db2.gz KEABNNQRZVONRE-MRXNPFEDSA-N 0 0 341.794 3.857 50 30 EHEARN COc1ccc(C[C@@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000013477862 563699581 /nfs/dbraw/zinc/69/95/81/563699581.db2.gz HAIDZHYKVBGVMO-HNNXBMFYSA-N 0 0 346.839 3.810 50 30 EHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000032904668 563790588 /nfs/dbraw/zinc/79/05/88/563790588.db2.gz NVSURNFDANSGMO-UHFFFAOYSA-N 0 0 339.263 3.765 50 30 EHEARN COc1ccccc1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032905225 563791467 /nfs/dbraw/zinc/79/14/67/563791467.db2.gz AVESVEFLGHUTHF-UHFFFAOYSA-N 0 0 342.398 3.671 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)s1 ZINC000017836750 563845885 /nfs/dbraw/zinc/84/58/85/563845885.db2.gz XLRVOXRFECQUFJ-GOSISDBHSA-N 0 0 345.464 3.842 50 30 EHEARN NC(Cc1ccccc1)=NOCc1ccc(Br)cc1F ZINC000071939154 563848638 /nfs/dbraw/zinc/84/86/38/563848638.db2.gz MULGBPIHEJOAGJ-UHFFFAOYSA-N 0 0 337.192 3.620 50 30 EHEARN C#CCOc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000072295528 563912072 /nfs/dbraw/zinc/91/20/72/563912072.db2.gz WQAOPYIBPOOHTE-UHFFFAOYSA-N 0 0 348.717 3.652 50 30 EHEARN Cc1nc([C@H]2CCCN(c3ccc(C#N)c(C(F)(F)F)c3)C2)no1 ZINC000072300236 563912784 /nfs/dbraw/zinc/91/27/84/563912784.db2.gz IHJBLXLLCXEWAR-LBPRGKRZSA-N 0 0 336.317 3.653 50 30 EHEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)NC(C)(C)C)n2)cc1 ZINC000033011096 563925033 /nfs/dbraw/zinc/92/50/33/563925033.db2.gz IRXPMYBPUCKJPX-UHFFFAOYSA-N 0 0 339.464 3.936 50 30 EHEARN C[C@@H](NC(=O)CSCC#N)c1ccccc1Oc1ccccc1 ZINC000071853709 563926650 /nfs/dbraw/zinc/92/66/50/563926650.db2.gz DCIVTHPQYPCMQH-CQSZACIVSA-N 0 0 326.421 3.913 50 30 EHEARN CCn1nc(C)c(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c1C ZINC000096411688 563950692 /nfs/dbraw/zinc/95/06/92/563950692.db2.gz OFORCFRUZYAXIN-UHFFFAOYSA-N 0 0 344.806 3.595 50 30 EHEARN N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccon3)cc2)c1 ZINC000096447167 563953362 /nfs/dbraw/zinc/95/33/62/563953362.db2.gz NGCITAYUKMQASB-UHFFFAOYSA-N 0 0 334.335 3.660 50 30 EHEARN N#Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1 ZINC000033072313 563963376 /nfs/dbraw/zinc/96/33/76/563963376.db2.gz LBEWPXGUWDPCBF-IBGZPJMESA-N 0 0 326.359 3.724 50 30 EHEARN COC(=O)O[C@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000071769407 563965618 /nfs/dbraw/zinc/96/56/18/563965618.db2.gz ROXJUMSSBTZRCS-UYAOXDASSA-N 0 0 338.359 3.833 50 30 EHEARN C[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000022333961 563966634 /nfs/dbraw/zinc/96/66/34/563966634.db2.gz LGHACQGXJJMMAX-KRWDZBQOSA-N 0 0 348.450 3.663 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000077388229 563969327 /nfs/dbraw/zinc/96/93/27/563969327.db2.gz SZROUDFWSPKPEJ-UHFFFAOYSA-N 0 0 340.810 3.895 50 30 EHEARN CN1C(=O)/C(=C/C(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000033305713 563973335 /nfs/dbraw/zinc/97/33/35/563973335.db2.gz YIZXXSNZPMPSST-GXDHUFHOSA-N 0 0 342.192 3.692 50 30 EHEARN Cc1n[nH]c(C)c1-c1cc(-c2ccc3[nH]ccc3c2)c(C#N)c(N)n1 ZINC000071749772 563982978 /nfs/dbraw/zinc/98/29/78/563982978.db2.gz YOTUWGQFRCKYRF-UHFFFAOYSA-N 0 0 328.379 3.691 50 30 EHEARN COc1cc(OC)c(-c2c(C)c(C(C)C)nc(N)c2C#N)c(OC)c1 ZINC000071753112 563982987 /nfs/dbraw/zinc/98/29/87/563982987.db2.gz KYYDSPUCUQFHMR-UHFFFAOYSA-N 0 0 341.411 3.660 50 30 EHEARN Cc1ccc(-c2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C)s1 ZINC000071748951 563983012 /nfs/dbraw/zinc/98/30/12/563983012.db2.gz PDOWFYKVBRRDKW-UHFFFAOYSA-N 0 0 325.393 3.633 50 30 EHEARN COc1ccc(O)cc1-c1cc(-c2ccc(O)cc2C)nc(N)c1C#N ZINC000071776263 563983066 /nfs/dbraw/zinc/98/30/66/563983066.db2.gz WMKCRTOLQAYOOE-UHFFFAOYSA-N 0 0 347.374 3.598 50 30 EHEARN CCCn1cc(-c2cc(-c3cnn(C(C)C)c3)c(C#N)c(N)n2)c(C)n1 ZINC000071774430 563983069 /nfs/dbraw/zinc/98/30/69/563983069.db2.gz LYAJNGKJESNPKX-UHFFFAOYSA-N 0 0 349.442 3.562 50 30 EHEARN C=CCn1c(C)cs/c1=N/N=C/c1ccccc1Br ZINC000000112055 563986627 /nfs/dbraw/zinc/98/66/27/563986627.db2.gz SHCQHAHTBYGERY-LLYMPXGKSA-N 0 0 336.258 3.741 50 30 EHEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNCc1ccccc1 ZINC000000206067 563988500 /nfs/dbraw/zinc/98/85/00/563988500.db2.gz OPMUORUUXMGLMI-YDZHTSKRSA-N 0 0 340.386 3.992 50 30 EHEARN Cc1csc([C@H](C#N)C(=O)c2cccc(OCc3cccnc3)c2)n1 ZINC000073087274 563994772 /nfs/dbraw/zinc/99/47/72/563994772.db2.gz ZQFMKYWHLFSDNW-QGZVFWFLSA-N 0 0 349.415 3.916 50 30 EHEARN N#Cc1ccccc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000005170945 563999879 /nfs/dbraw/zinc/99/98/79/563999879.db2.gz XDJVMAGTNMHMOL-UHFFFAOYSA-N 0 0 330.174 3.623 50 30 EHEARN O=[N+]([O-])c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000005173216 563999924 /nfs/dbraw/zinc/99/99/24/563999924.db2.gz YGXJZURMQTZERJ-OMCISZLKSA-N 0 0 344.205 3.561 50 30 EHEARN COc1cccc(CN=Nc2ncnc3c4ccccc4[nH]c32)c1OC ZINC000005577551 564005837 /nfs/dbraw/zinc/00/58/37/564005837.db2.gz MIHFBVVYKDWFRK-LSHDLFTRSA-N 0 0 347.378 3.574 50 30 EHEARN COc1ccc2c(c1)oc1c2c(C#N)c(N)c(C#N)c1-c1cccnc1 ZINC000005586902 564005963 /nfs/dbraw/zinc/00/59/63/564005963.db2.gz HLVNOHLAHAOLTJ-UHFFFAOYSA-N 0 0 340.342 3.982 50 30 EHEARN N#CC1(NC(=O)CSc2ccc3ccccc3n2)CCCCC1 ZINC000005627277 564006709 /nfs/dbraw/zinc/00/67/09/564006709.db2.gz KHOLFEXQOSWKMM-UHFFFAOYSA-N 0 0 325.437 3.670 50 30 EHEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000005629824 564006769 /nfs/dbraw/zinc/00/67/69/564006769.db2.gz PMVMLGBNSABOCA-HNNXBMFYSA-N 0 0 338.407 3.898 50 30 EHEARN COc1cc2c(c(OC)c1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2 ZINC000018200528 564018746 /nfs/dbraw/zinc/01/87/46/564018746.db2.gz DOTXXQPIRBTTNG-SFHVURJKSA-N 0 0 336.391 3.663 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000005687233 564018748 /nfs/dbraw/zinc/01/87/48/564018748.db2.gz WVJHYIFSSRIKQB-SFHVURJKSA-N 0 0 333.387 3.759 50 30 EHEARN N#Cc1ccc(OC[C@@H](O)CSc2nc3ccccc3s2)cc1 ZINC000014071793 564021420 /nfs/dbraw/zinc/02/14/20/564021420.db2.gz HSKBLIFJKWITLY-CYBMUJFWSA-N 0 0 342.445 3.700 50 30 EHEARN COc1ccc(CCNc2oc(-c3ccccc3OC)nc2C#N)cc1 ZINC000000542799 564022442 /nfs/dbraw/zinc/02/24/42/564022442.db2.gz IXFPNFLNBKWULR-UHFFFAOYSA-N 0 0 349.390 3.885 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(-c2ccccn2)n1 ZINC000048366282 564031536 /nfs/dbraw/zinc/03/15/36/564031536.db2.gz UJCSUHUYBISHKE-QGZVFWFLSA-N 0 0 348.431 3.958 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)[C@@H](C#N)c1ccccn1 ZINC000049456368 564032732 /nfs/dbraw/zinc/03/27/32/564032732.db2.gz DXKRZPRKSDKROW-CVTTXWKISA-N 0 0 342.402 3.774 50 30 EHEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccccc1-2 ZINC000002977530 564043712 /nfs/dbraw/zinc/04/37/12/564043712.db2.gz PXQQCFKCBWOOTK-INIZCTEOSA-N 0 0 349.419 3.715 50 30 EHEARN C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000257359163 564055995 /nfs/dbraw/zinc/05/59/95/564055995.db2.gz YUMWOIMGKYOLOA-GJRGARDJSA-N 0 0 334.431 3.540 50 30 EHEARN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C)c2ccccc12 ZINC000063250532 564056820 /nfs/dbraw/zinc/05/68/20/564056820.db2.gz JQCIOVYBTRPJPF-UHFFFAOYSA-N 0 0 349.390 3.915 50 30 EHEARN Cc1nn(C(C)(C)C)cc1C(=O)/C=C/c1cc2ccccc2[nH]c1=O ZINC000063412346 564057443 /nfs/dbraw/zinc/05/74/43/564057443.db2.gz YJIZDVMYPASAKS-MDZDMXLPSA-N 0 0 335.407 3.684 50 30 EHEARN N#C[C@H](C(=O)c1ccc(Br)s1)c1nc2ccccc2[nH]1 ZINC000012542535 564058718 /nfs/dbraw/zinc/05/87/18/564058718.db2.gz ONDARKWTWSMGQK-MRVPVSSYSA-N 0 0 346.209 3.877 50 30 EHEARN N#Cc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000001390033 564063963 /nfs/dbraw/zinc/06/39/63/564063963.db2.gz OHHHEISENXHEQL-UHFFFAOYSA-N 0 0 340.814 3.566 50 30 EHEARN C=C1C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000254827067 564064447 /nfs/dbraw/zinc/06/44/47/564064447.db2.gz VRABBYPHXSPLAT-USGDIRTKSA-N 0 0 344.495 3.796 50 30 EHEARN CN(CCc1ccc(Br)cc1)C(=O)c1cc(C#N)cs1 ZINC000084108532 564066624 /nfs/dbraw/zinc/06/66/24/564066624.db2.gz NDHDICXZNPCJRG-UHFFFAOYSA-N 0 0 349.253 3.697 50 30 EHEARN Cn1cc(C#N)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N ZINC000084314389 564067760 /nfs/dbraw/zinc/06/77/60/564067760.db2.gz YTKFMJIYYUZJAE-UHFFFAOYSA-N 0 0 332.388 3.749 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C#N)cc1 ZINC000015601094 564069305 /nfs/dbraw/zinc/06/93/05/564069305.db2.gz AHHMQCDENSZTCJ-UHFFFAOYSA-N 0 0 344.418 3.932 50 30 EHEARN Cc1ccc(C[C@H]2S/C(=N\N=C\c3cccs3)NC2=O)cc1C ZINC000006054335 564073091 /nfs/dbraw/zinc/07/30/91/564073091.db2.gz HWLXLMVCSAVNPG-BFERYNQYSA-N 0 0 343.477 3.529 50 30 EHEARN CCOc1cc(/C=N/NC(=N)SC)ccc1OCc1ccccc1 ZINC000006078648 564073552 /nfs/dbraw/zinc/07/35/52/564073552.db2.gz MLELOMQYRHIKIZ-UDWIEESQSA-N 0 0 343.452 3.886 50 30 EHEARN C#Cc1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000013007305 564073684 /nfs/dbraw/zinc/07/36/84/564073684.db2.gz BQZHSJIXOWKFJA-UHFFFAOYSA-N 0 0 327.387 3.595 50 30 EHEARN C=CCOC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000013306691 564073782 /nfs/dbraw/zinc/07/37/82/564073782.db2.gz SGKBBWKRTAWUHQ-GHRIWEEISA-N 0 0 341.794 3.840 50 30 EHEARN C[C@@H](C#N)Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000006171187 564077247 /nfs/dbraw/zinc/07/72/47/564077247.db2.gz YHSDCWJSAKGUND-JTQLQIEISA-N 0 0 345.811 3.695 50 30 EHEARN N#Cc1cccc(C(=O)NCc2nc(C3CCCCC3)cs2)c1 ZINC000575413973 564078854 /nfs/dbraw/zinc/07/88/54/564078854.db2.gz MHSPYSWGAKLEFL-UHFFFAOYSA-N 0 0 325.437 3.992 50 30 EHEARN C#Cc1cc(F)c(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000089261890 564084644 /nfs/dbraw/zinc/08/46/44/564084644.db2.gz DSNWYMWTRKPQQF-OAHLLOKOSA-N 0 0 341.361 3.664 50 30 EHEARN COc1cc(C=NNC(N)=S)ccc1OCc1ccc(Cl)cc1 ZINC000001905499 564089357 /nfs/dbraw/zinc/08/93/57/564089357.db2.gz HZWOMCUJMYGUAX-UHFFFAOYSA-N 0 0 349.843 3.716 50 30 EHEARN COc1cc2nnc(/C=C/C(C)=O)c(-c3ccc(C)o3)c2cc1OC ZINC000000305528 564090481 /nfs/dbraw/zinc/09/04/81/564090481.db2.gz WEHHTBYCDXOFOS-FNORWQNLSA-N 0 0 338.363 3.818 50 30 biogenic EHEARN CCn1c(SCC#N)nc2cc(-c3ccccc3)sc2c1=O ZINC000064565412 564092216 /nfs/dbraw/zinc/09/22/16/564092216.db2.gz LYBSZOMSHNMSCZ-UHFFFAOYSA-N 0 0 327.434 3.761 50 30 EHEARN N#Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)nc1 ZINC000076016801 564114318 /nfs/dbraw/zinc/11/43/18/564114318.db2.gz MOLBDMYXWCOVMC-UHFFFAOYSA-N 0 0 339.826 3.702 50 30 EHEARN COc1ccccc1CC(C)=CC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000076020400 564114594 /nfs/dbraw/zinc/11/45/94/564114594.db2.gz JVBHPLVHBGJYDV-SAAWKEMMSA-N 0 0 326.421 3.825 50 30 EHEARN C=CCNc1nc2c(cnn2C)c(Nc2ccc(Cl)cc2C)n1 ZINC000017011256 564116129 /nfs/dbraw/zinc/11/61/29/564116129.db2.gz AKYBZYJMKKYLFZ-UHFFFAOYSA-N 0 0 328.807 3.667 50 30 EHEARN N#Cc1ccccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000153043072 564116505 /nfs/dbraw/zinc/11/65/05/564116505.db2.gz LCOWRLDCCUOBDY-UHFFFAOYSA-N 0 0 341.370 3.807 50 30 EHEARN CCC1N=NC(=S)N1N=Cc1ccc(N(C)c2ccccc2)cc1 ZINC000252452288 564118496 /nfs/dbraw/zinc/11/84/96/564118496.db2.gz ATSAFZZESPWYCT-UHFFFAOYSA-N 0 0 337.452 3.779 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1C ZINC000193191712 564118812 /nfs/dbraw/zinc/11/88/12/564118812.db2.gz XJVHSJYNHGTMEY-HUUCEWRRSA-N 0 0 335.473 3.641 50 30 EHEARN CCCCc1noc([C@@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)n1 ZINC000252475167 564119012 /nfs/dbraw/zinc/11/90/12/564119012.db2.gz VFGIZPZCSQLOJO-CYBMUJFWSA-N 0 0 344.415 3.872 50 30 EHEARN Cc1cc(C#N)nc(Sc2nnc(-c3ccccc3Cl)o2)n1 ZINC000390835151 564120243 /nfs/dbraw/zinc/12/02/43/564120243.db2.gz DRZYIDSEXZJRAY-UHFFFAOYSA-N 0 0 329.772 3.511 50 30 EHEARN CC(=O)c1cc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)ccc1C ZINC000194115479 564120423 /nfs/dbraw/zinc/12/04/23/564120423.db2.gz KTNFWCZMNYZBMT-UHFFFAOYSA-N 0 0 344.374 3.507 50 30 EHEARN C=CCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1 ZINC000252632033 564124068 /nfs/dbraw/zinc/12/40/68/564124068.db2.gz VOTJVEMDJNMVJS-UHFFFAOYSA-N 0 0 336.420 3.681 50 30 EHEARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000000616046 564133486 /nfs/dbraw/zinc/13/34/86/564133486.db2.gz DYLHONVTEJTUGM-NSHDSACASA-N 0 0 345.196 3.727 50 30 EHEARN Cc1ccc(C#N)c(N2CCc3onc(-c4cccc(F)c4)c3C2)n1 ZINC000067847421 564134936 /nfs/dbraw/zinc/13/49/36/564134936.db2.gz OAHFVBISDBWNQG-UHFFFAOYSA-N 0 0 334.354 3.619 50 30 EHEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1cccs1 ZINC000002433942 564135130 /nfs/dbraw/zinc/13/51/30/564135130.db2.gz YBTFPXGOYPMCGW-YBEGLDIGSA-N 0 0 327.405 3.666 50 30 EHEARN COc1ccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)c(OC)c1 ZINC000012789372 564135543 /nfs/dbraw/zinc/13/55/43/564135543.db2.gz JXNYGTFZSYOHBQ-GOSISDBHSA-N 0 0 336.391 3.553 50 30 EHEARN Cc1ccc(C)c(-n2nnnc2Sc2cccc(Cl)c2C#N)c1 ZINC000012978402 564135751 /nfs/dbraw/zinc/13/57/51/564135751.db2.gz GSZIYEXRJAEFHP-UHFFFAOYSA-N 0 0 341.827 3.955 50 30 EHEARN Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc3c1OCC[C@@H]3O)O2 ZINC000328588798 564136633 /nfs/dbraw/zinc/13/66/33/564136633.db2.gz QEHROEDOEGIQHK-FUHWJXTLSA-N 0 0 339.391 3.793 50 30 EHEARN N#Cc1sc(NC(=O)Cc2ccc(-n3cccn3)cc2)nc1Cl ZINC000328594815 564136801 /nfs/dbraw/zinc/13/68/01/564136801.db2.gz CBYHIFLYAMUJFI-UHFFFAOYSA-N 0 0 343.799 3.685 50 30 EHEARN COc1ccc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)o2)cc1OC ZINC000278669666 564138504 /nfs/dbraw/zinc/13/85/04/564138504.db2.gz XPYUWBSLJYJHBX-ZYHUDNBSSA-N 0 0 331.397 3.538 50 30 EHEARN Cc1nc2ccccc2n1Cc1cc(NC(=O)CC#N)ccc1Cl ZINC000390834123 564138915 /nfs/dbraw/zinc/13/89/15/564138915.db2.gz SKHWCBAQPSXUGY-UHFFFAOYSA-N 0 0 338.798 3.899 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000155658233 564139589 /nfs/dbraw/zinc/13/95/89/564139589.db2.gz VSNRDTCLLDLAGY-PELKAZGASA-N 0 0 335.276 3.512 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000155658350 564139606 /nfs/dbraw/zinc/13/96/06/564139606.db2.gz VSNRDTCLLDLAGY-QPUJVOFHSA-N 0 0 335.276 3.512 50 30 EHEARN C[C@](C#N)(CCc1ccccc1)NC(=O)c1ncoc1-c1ccco1 ZINC000095431822 564140338 /nfs/dbraw/zinc/14/03/38/564140338.db2.gz UXOYMLLCMLWQHA-LJQANCHMSA-N 0 0 335.363 3.579 50 30 EHEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(-n3cccn3)cc1)C2 ZINC000095476564 564141459 /nfs/dbraw/zinc/14/14/59/564141459.db2.gz ZBXYOJROOJSNCN-YBEGLDIGSA-N 0 0 346.386 3.712 50 30 EHEARN C=CCOc1ccc(CNc2c(C)nn(CCOC)c2C)cc1Cl ZINC000095996692 564144305 /nfs/dbraw/zinc/14/43/05/564144305.db2.gz TWLBWJUWBAEXJV-UHFFFAOYSA-N 0 0 349.862 3.977 50 30 EHEARN N#CCc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000096406971 564147377 /nfs/dbraw/zinc/14/73/77/564147377.db2.gz RSNMKIWMJJHHAZ-SFHVURJKSA-N 0 0 334.423 3.543 50 30 EHEARN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000096422132 564147967 /nfs/dbraw/zinc/14/79/67/564147967.db2.gz NMGAZUPBJDBNAD-MJBXVCDLSA-N 0 0 346.308 3.960 50 30 EHEARN Cc1cc(OCc2cc(C#N)ccc2F)ccc1NC(=O)C(F)F ZINC000225626080 564150003 /nfs/dbraw/zinc/15/00/03/564150003.db2.gz XTJNNRNZKPUOEO-UHFFFAOYSA-N 0 0 334.297 3.788 50 30 EHEARN C[C@@H](NC(=O)C1(C#N)CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000055647329 564150501 /nfs/dbraw/zinc/15/05/01/564150501.db2.gz HOKRRXSMPFHVPM-MRXNPFEDSA-N 0 0 349.434 3.922 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCCC[C@@H]3C)sc2C1 ZINC000002633906 564151522 /nfs/dbraw/zinc/15/15/22/564151522.db2.gz HCWCJKVCDIZVRX-STQMWFEESA-N 0 0 331.485 3.557 50 30 EHEARN CN(C)C(=S)S/C=C/C(=O)c1ccc(Br)cc1 ZINC000002801347 564152744 /nfs/dbraw/zinc/15/27/44/564152744.db2.gz JYIYKFLVUINQEC-BQYQJAHWSA-N 0 0 330.272 3.725 50 30 EHEARN O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2 ZINC000230179226 564154962 /nfs/dbraw/zinc/15/49/62/564154962.db2.gz WTCNROCVGKPIDG-VKDZAETISA-N 0 0 334.331 3.542 50 30 EHEARN CCN(Cc1ccc(C#N)cc1F)C(=O)Nc1cccc(C(C)=O)c1 ZINC000058244519 564158193 /nfs/dbraw/zinc/15/81/93/564158193.db2.gz GVQOQZSLBKGKCX-UHFFFAOYSA-N 0 0 339.370 3.954 50 30 EHEARN CC(=O)O[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004081278 564160383 /nfs/dbraw/zinc/16/03/83/564160383.db2.gz AEFVYXKODUCZPV-DYEMEFENSA-N 0 0 346.467 3.675 50 30 biogenic EHEARN CC[C@@H](OC)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068725506 564167661 /nfs/dbraw/zinc/16/76/61/564167661.db2.gz LMUDHIBCXZTDBN-NOZJJQNGSA-N 0 0 336.363 3.690 50 30 EHEARN COc1ccc(-c2cc(-c3ccc4[nH]ccc4c3)c(C#N)c(N)n2)cn1 ZINC000071775868 564175282 /nfs/dbraw/zinc/17/52/82/564175282.db2.gz KFQNJZLRMPZYTD-UHFFFAOYSA-N 0 0 341.374 3.754 50 30 EHEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCO3)sc2C1 ZINC000000368811 568422617 /nfs/dbraw/zinc/42/26/17/568422617.db2.gz KMILGOZZOHHFHY-BXUZGUMPSA-N 0 0 332.469 3.888 50 30 EHEARN C/C(C=NNS(=O)(=O)c1cc(C)ccc1C)=C/c1ccccc1 ZINC000252669477 1038781707 /nfs/dbraw/zinc/78/17/07/1038781707.db2.gz HQNUXLZUKJCEHT-NCMYPUKASA-N 0 0 328.437 3.671 50 30 EHEARN C(=Nn1c(-c2ccco2)csc1=Nc1cccnc1)c1ccccn1 ZINC000254477920 1039910664 /nfs/dbraw/zinc/91/06/64/1039910664.db2.gz ZPMNBVBHVJGVDQ-UHFFFAOYSA-N 0 0 347.403 3.714 50 30 EHEARN Cc1nsc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1C#N ZINC000298747057 1040919073 /nfs/dbraw/zinc/91/90/73/1040919073.db2.gz UIWVAGJDQVMXOL-UHFFFAOYSA-N 0 0 333.363 3.662 50 30 EHEARN CCCCC1(CCCC)C(=O)NC(=Nc2ccc(C)cc2)NC1=O ZINC000005764796 1042597758 /nfs/dbraw/zinc/59/77/58/1042597758.db2.gz RHMVGJZTPKPAOU-UHFFFAOYSA-N 0 0 329.444 3.595 50 30 EHEARN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)C2=O)c1 ZINC000085438180 1127544917 /nfs/dbraw/zinc/54/49/17/1127544917.db2.gz SJMQRQWMJYQOHB-CVEARBPZSA-N 0 0 327.428 3.551 50 30 EHEARN CC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000002354692 1128751068 /nfs/dbraw/zinc/75/10/68/1128751068.db2.gz HVFHBRLASUMCCI-SGKKMGNFSA-N 0 0 345.399 3.663 50 30 EHEARN CC1(C)CC(=O)C=C(c2nc(C3CC3)nn2-c2ccc(Cl)cc2)O1 ZINC000065463662 1132520631 /nfs/dbraw/zinc/52/06/31/1132520631.db2.gz AROGVEKILZMVGU-UHFFFAOYSA-N 0 0 343.814 3.907 50 30 EHEARN C#CCCC1(CCC(=O)NC2(c3ccc(F)cc3F)CCC2)N=N1 ZINC000952880181 1137483157 /nfs/dbraw/zinc/48/31/57/1137483157.db2.gz DGGJKACQJLCOMA-UHFFFAOYSA-N 0 0 331.366 3.816 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)N=N1 ZINC000952882287 1137483384 /nfs/dbraw/zinc/48/33/84/1137483384.db2.gz UEBVEQSUOOHXBQ-ACJLOTCBSA-N 0 0 327.403 3.921 50 30 EHEARN N#Cc1cc(C#N)c(S[C@@H]2CCCc3c(Cl)ccnc32)nc1N ZINC000952884250 1137483437 /nfs/dbraw/zinc/48/34/37/1137483437.db2.gz WKHBQELVCVRCHN-CYBMUJFWSA-N 0 0 341.827 3.625 50 30 EHEARN Cn1cc(C#N)cc1C(=O)N1CCCC[C@@H]1CCc1cccs1 ZINC000952965458 1137483890 /nfs/dbraw/zinc/48/38/90/1137483890.db2.gz RXBYUCPZXSULAR-OAHLLOKOSA-N 0 0 327.453 3.586 50 30 EHEARN O=C(Nc1nncs1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000050076246 214043652 /nfs/dbraw/zinc/04/36/52/214043652.db2.gz FYVJYDRHRPUSGO-AWEZNQCLSA-N 0 0 342.449 3.793 50 30 EHEARN C=CCN(Cc1ccco1)C(=O)c1cccc(Oc2ncccn2)c1 ZINC000055118807 214275113 /nfs/dbraw/zinc/27/51/13/214275113.db2.gz ANFWIBIMQAJJOB-UHFFFAOYSA-N 0 0 335.363 3.690 50 30 EHEARN C=CCOc1ccc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004690072 210248539 /nfs/dbraw/zinc/24/85/39/210248539.db2.gz VCFPRXBLGHPDHN-HNNXBMFYSA-N 0 0 326.392 3.925 50 30 EHEARN COc1ccc(/N=C/c2c3ccccc3n(C)c2N2CCOCC2)cc1 ZINC000100349627 219097741 /nfs/dbraw/zinc/09/77/41/219097741.db2.gz FKLDLUYBIUEVJE-PXLXIMEGSA-N 0 0 349.434 3.774 50 30 EHEARN C=C(C)Cc1c(C)[n-]n(C(=O)c2c(Cl)cccc2Cl)c1=O ZINC000100397604 219098361 /nfs/dbraw/zinc/09/83/61/219098361.db2.gz BNDJUPNWHPPKTD-SNVBAGLBSA-N 0 0 325.195 3.934 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@H](c1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 ZINC000100760607 219105758 /nfs/dbraw/zinc/10/57/58/219105758.db2.gz RXKQWQWAWGCAQF-UAGQMJEPSA-N 0 0 333.403 3.817 50 30 EHEARN CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000004436138 210192582 /nfs/dbraw/zinc/19/25/82/210192582.db2.gz IXEYYJISUBNPAI-HNNXBMFYSA-N 0 0 344.415 3.551 50 30 EHEARN CCOC(NC(=O)Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000004336745 210174971 /nfs/dbraw/zinc/17/49/71/210174971.db2.gz UCZSXVYUTOWNEF-UHFFFAOYSA-N 0 0 348.218 3.805 50 30 EHEARN N#Cc1cccc(-c2cn3c(n2)N(C(=O)c2cccc(F)c2)CCC3)c1 ZINC000065259566 214855893 /nfs/dbraw/zinc/85/58/93/214855893.db2.gz RWKHTDONSZBRCX-UHFFFAOYSA-N 0 0 346.365 3.611 50 30 EHEARN COc1cc2c(cc1OC)C(=CC(=O)c1ccccc1)NC(C)(C)C2 ZINC000004064522 210111193 /nfs/dbraw/zinc/11/11/93/210111193.db2.gz WXLREWHGXSMZSX-ATVHPVEESA-N 0 0 337.419 3.852 50 30 biogenic EHEARN Cn1nc(-c2ccc(Cl)cc2)c(N=Nc2ccccc2F)c1N ZINC000003767648 210074868 /nfs/dbraw/zinc/07/48/68/210074868.db2.gz QLSFGRDQMNPLBS-UIWOSKIUSA-N 0 0 329.766 3.574 50 30 EHEARN N#C[C@@H](NC(=O)/C=C/c1ccncc1)c1cccc(Cl)c1Cl ZINC000066394284 215037851 /nfs/dbraw/zinc/03/78/51/215037851.db2.gz IXRSPHPUYNZTAX-ISZGNANSSA-N 0 0 332.190 3.783 50 30 EHEARN CC(C)Oc1cccc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1 ZINC000067689133 215185931 /nfs/dbraw/zinc/18/59/31/215185931.db2.gz OXAQJXFWBMSOLT-UHFFFAOYSA-N 0 0 349.390 3.742 50 30 EHEARN C#CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC#C)C1=O ZINC000002988077 209950366 /nfs/dbraw/zinc/95/03/66/209950366.db2.gz IQHVYIWZLMTHOP-AQTBWJFISA-N 0 0 347.395 3.521 50 30 EHEARN C[C@@H](c1nc[nH]n1)n1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 ZINC000067757705 215206771 /nfs/dbraw/zinc/20/67/71/215206771.db2.gz HAWIUKDCPPYBLN-AWEZNQCLSA-N 0 0 340.390 3.816 50 30 EHEARN N#C[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1Cl ZINC000179483031 233084522 /nfs/dbraw/zinc/08/45/22/233084522.db2.gz AEEOXUPOYAUIMI-QWHCGFSZSA-N 0 0 347.827 3.643 50 30 EHEARN Cc1c2ccccc2sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000103717536 219321136 /nfs/dbraw/zinc/32/11/36/219321136.db2.gz VUYHBGCBEXCBSX-CYBMUJFWSA-N 0 0 335.388 3.566 50 30 EHEARN C=CCc1cccc2cc(C(=O)N3CCc4ccccc4C3)c(=O)oc21 ZINC000002497763 209857975 /nfs/dbraw/zinc/85/79/75/209857975.db2.gz QANYGUWIOWQNOE-UHFFFAOYSA-N 0 0 345.398 3.720 50 30 EHEARN COc1cccc(Oc2c(C)oc3cc(OCC#N)ccc3c2=O)c1 ZINC000002411436 209848027 /nfs/dbraw/zinc/84/80/27/209848027.db2.gz NPTYBZKIEAVPES-UHFFFAOYSA-N 0 0 337.331 3.805 50 30 biogenic EHEARN N#Cc1cccc(CC(=O)c2cccc(I)c2)c1 ZINC000002393049 209846925 /nfs/dbraw/zinc/84/69/25/209846925.db2.gz XIWIMEBDPZDOKP-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN N#CCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000000869001 209693901 /nfs/dbraw/zinc/69/39/01/209693901.db2.gz CBKIAKRLUBLZKJ-UHFFFAOYSA-N 0 0 326.208 3.893 50 30 EHEARN N#Cc1c(N)nc(-c2cc[nH]c2)cc1-c1ccc(-c2cc[nH]n2)s1 ZINC000071776005 215824969 /nfs/dbraw/zinc/82/49/69/215824969.db2.gz AGDHDBKGSWREFZ-UHFFFAOYSA-N 0 0 332.392 3.649 50 30 EHEARN N#Cc1cccc(Cc2cnc(NC(=O)CC[C@@H]3CCCO3)s2)c1 ZINC000031925288 212761539 /nfs/dbraw/zinc/76/15/39/212761539.db2.gz XNIZAYOKLPCFIZ-HNNXBMFYSA-N 0 0 341.436 3.503 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)CCO[C@@](C)(CC)C1 ZINC000000367096 209554436 /nfs/dbraw/zinc/55/44/36/209554436.db2.gz LQFZXZWNYQBDOY-YSIASYRMSA-N 0 0 329.440 3.915 50 30 EHEARN Cc1sc2ncn(/N=C/c3ccccn3)c(=O)c2c1-c1ccccc1 ZINC000000351602 209545838 /nfs/dbraw/zinc/54/58/38/209545838.db2.gz ZBRUKOSYKWUZDX-SSDVNMTOSA-N 0 0 346.415 3.711 50 30 EHEARN CCc1nc(SCC(=O)OCc2ccccc2)c(C#N)cc1C ZINC000000049870 209390058 /nfs/dbraw/zinc/39/00/58/209390058.db2.gz AHKGXWNTWHIYQS-UHFFFAOYSA-N 0 0 326.421 3.660 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000025103709 212459706 /nfs/dbraw/zinc/45/97/06/212459706.db2.gz MFZGOUWAWDPIMP-UHFFFAOYSA-N 0 0 332.325 3.778 50 30 EHEARN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)C2 ZINC000074720885 216512527 /nfs/dbraw/zinc/51/25/27/216512527.db2.gz IJBQBIINSJWXKW-KRWDZBQOSA-N 0 0 337.423 3.674 50 30 EHEARN Cc1cc([O-])c(C[NH+](C)C)c2c1C(=O)/C(=C/c1ccccc1F)O2 ZINC000020573245 212148560 /nfs/dbraw/zinc/14/85/60/212148560.db2.gz KLYAORNCAOLEDM-SXGWCWSVSA-N 0 0 327.355 3.518 50 30 EHEARN Cc1cc(C(=O)c2cnc(/N=C/N(C)C)s2)c(F)cc1Cl ZINC000020367937 212123741 /nfs/dbraw/zinc/12/37/41/212123741.db2.gz FVNCLXBIRYVNDV-CNHKJKLMSA-N 0 0 325.796 3.696 50 30 EHEARN Cc1ccc(-c2nc3cc(-c4cccc(C)c4)nn3c(N)c2C#N)o1 ZINC000019797074 212068729 /nfs/dbraw/zinc/06/87/29/212068729.db2.gz NSJARZPGDNCCFN-UHFFFAOYSA-N 0 0 329.363 3.727 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCC[C@H](COc2cccc(F)c2)C1 ZINC000077539962 216932577 /nfs/dbraw/zinc/93/25/77/216932577.db2.gz ZAEBUUYLRQFWPJ-HNNXBMFYSA-N 0 0 338.382 3.629 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000019772397 212063941 /nfs/dbraw/zinc/06/39/41/212063941.db2.gz YEARWLCUQCSXBV-LJQANCHMSA-N 0 0 339.435 3.951 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 ZINC000019315234 212014406 /nfs/dbraw/zinc/01/44/06/212014406.db2.gz NUEIZFQSCYDGJK-GOSISDBHSA-N 0 0 325.408 3.526 50 30 EHEARN COc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCO3)c2C#N)cc1 ZINC000013328539 211547290 /nfs/dbraw/zinc/54/72/90/211547290.db2.gz UHIATMOLVWCVGM-OAHLLOKOSA-N 0 0 342.420 3.721 50 30 EHEARN C=CCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1OC ZINC000012844937 211468361 /nfs/dbraw/zinc/46/83/61/211468361.db2.gz PRWMQOBFAHNHLX-UHFFFAOYSA-N 0 0 327.380 3.911 50 30 EHEARN O=C1CCCC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2 ZINC000012348214 211354594 /nfs/dbraw/zinc/35/45/94/211354594.db2.gz ZNYJUINOLRKDLL-AWEZNQCLSA-N 0 0 335.194 3.607 50 30 EHEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000012111613 211291516 /nfs/dbraw/zinc/29/15/16/211291516.db2.gz DINNSQOSCSQSQR-SFHVURJKSA-N 0 0 349.361 3.972 50 30 EHEARN CCOc1ccc2cc(/C=C/C(=O)c3cccs3)c(=O)[nH]c2c1 ZINC000009669164 211114097 /nfs/dbraw/zinc/11/40/97/211114097.db2.gz FAWCXXKOFFUDLV-SOFGYWHQSA-N 0 0 325.389 3.884 50 30 EHEARN N#Cc1ccc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)nc1 ZINC000095410746 218347588 /nfs/dbraw/zinc/34/75/88/218347588.db2.gz COVSYQVNKVNUQY-UHFFFAOYSA-N 0 0 337.398 3.720 50 30 EHEARN Cc1cc(-n2c(C)cc(C(=O)COc3ccc(C#N)cc3)c2C)no1 ZINC000005108959 210391651 /nfs/dbraw/zinc/39/16/51/210391651.db2.gz RVSGZHGABACIDT-UHFFFAOYSA-N 0 0 335.363 3.524 50 30 EHEARN C=CCOc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000004871505 210310155 /nfs/dbraw/zinc/31/01/55/210310155.db2.gz QHFSHVVFHVQTPC-UHFFFAOYSA-N 0 0 327.409 3.656 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1cccc(Br)c1 ZINC000004912418 210320700 /nfs/dbraw/zinc/32/07/00/210320700.db2.gz MKBPMWBWRZALSX-LBPRGKRZSA-N 0 0 348.240 3.696 50 30 EHEARN Cc1cc(NN=Cc2ccc(F)cc2)nc(NCc2ccccc2)n1 ZINC000004837586 210293064 /nfs/dbraw/zinc/29/30/64/210293064.db2.gz OFVWSWOGBFORDU-LPYMAVHISA-N 0 0 335.386 3.982 50 30 EHEARN CCc1noc(C)c1NC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000097377755 219018955 /nfs/dbraw/zinc/01/89/55/219018955.db2.gz DNGJRBDNBSOKJL-UHFFFAOYSA-N 0 0 328.372 3.848 50 30 EHEARN CN(C)c1ccc(CCCNC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000097473625 219026922 /nfs/dbraw/zinc/02/69/22/219026922.db2.gz AOYXWELLARQXKT-UHFFFAOYSA-N 0 0 340.402 3.518 50 30 EHEARN COC(=O)c1ccccc1-c1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 ZINC000426472632 257967568 /nfs/dbraw/zinc/96/75/68/257967568.db2.gz FBGGRADSKUUPEI-OAHLLOKOSA-N 0 0 348.402 3.516 50 30 EHEARN O=C1c2cccc(F)c2S(=O)(=O)C/C1=C\c1ccc(Cl)cc1 ZINC000096925151 258001597 /nfs/dbraw/zinc/00/15/97/258001597.db2.gz FWUJSRZBTWRVGL-DHZHZOJOSA-N 0 0 336.771 3.533 50 30 EHEARN O=C(Nc1nc(C(F)(F)F)c[nH]1)c1cc(O)ccc1C(F)(F)F ZINC000330032493 258002285 /nfs/dbraw/zinc/00/22/85/258002285.db2.gz OCSZQQSZFRGEBW-UHFFFAOYSA-N 0 0 339.195 3.789 50 30 EHEARN C=C(C)[C@H]1OCC[C@H]1C(=O)OCCCc1nc2ccccc2s1 ZINC000225620154 258005589 /nfs/dbraw/zinc/00/55/89/258005589.db2.gz QNVHOZAQNMPIAJ-CXAGYDPISA-N 0 0 331.437 3.753 50 30 EHEARN C=CCOc1cccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)c1 ZINC000007781036 258017887 /nfs/dbraw/zinc/01/78/87/258017887.db2.gz NGQNWLXRCMGLLS-UHFFFAOYSA-N 0 0 349.390 3.540 50 30 EHEARN C=CCN(C(=O)CSc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000007705413 258018092 /nfs/dbraw/zinc/01/80/92/258018092.db2.gz ITYONGALTPZWPU-UHFFFAOYSA-N 0 0 340.448 3.956 50 30 EHEARN C[C@@H](OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000006490892 258051939 /nfs/dbraw/zinc/05/19/39/258051939.db2.gz ICAOLKWEOBOGTD-SNVBAGLBSA-N 0 0 336.800 3.683 50 30 EHEARN Cc1ccc(Cl)cc1N1CCN(C(=S)NCc2ccco2)CC1 ZINC000013519502 258056242 /nfs/dbraw/zinc/05/62/42/258056242.db2.gz GQFUPFFSXYFHBP-UHFFFAOYSA-N 0 0 349.887 3.849 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NCC(=O)NCc1ccccc1 ZINC000069654684 258063609 /nfs/dbraw/zinc/06/36/09/258063609.db2.gz PMYKQPJUJDJTQN-HNNXBMFYSA-N 0 0 339.464 3.667 50 30 EHEARN N#CCC[C@@H](C#N)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071902816 258064138 /nfs/dbraw/zinc/06/41/38/258064138.db2.gz PTANEBZYOIMWSJ-LRDDRELGSA-N 0 0 338.238 3.810 50 30 EHEARN CC(=O)O[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@]2(C)CCC(=O)C=C12 ZINC000257346257 258073687 /nfs/dbraw/zinc/07/36/87/258073687.db2.gz WGJULUODXUVWJZ-NBASUNCFSA-N 0 0 344.451 3.629 50 30 EHEARN N#Cc1ccc(NCc2ccc(N3CCc4ccccc4C3)nc2)nc1 ZINC000048356411 132428735 /nfs/dbraw/zinc/42/87/35/132428735.db2.gz UOGLDOSWVUEFFB-UHFFFAOYSA-N 0 0 341.418 3.523 50 30 EHEARN C=C(C)COc1ccc(C(=O)NCc2nnc(-c3ccccc3)o2)cc1 ZINC000055118762 518613771 /nfs/dbraw/zinc/61/37/71/518613771.db2.gz SAZKJYOUXRUZCN-UHFFFAOYSA-N 0 0 349.390 3.622 50 30 EHEARN C=CCN(C(=O)CSc1nc2ncccc2o1)c1ccccc1 ZINC000015736091 518733146 /nfs/dbraw/zinc/73/31/46/518733146.db2.gz DTOBEKCNZLADMQ-UHFFFAOYSA-N 0 0 325.393 3.534 50 30 EHEARN C=CCOc1ccccc1/C=C1\N=C(c2cccc(OC)c2)OC1=O ZINC000004471842 519065913 /nfs/dbraw/zinc/06/59/13/519065913.db2.gz ANESMYKMBPHOEU-LGMDPLHJSA-N 0 0 335.359 3.605 50 30 EHEARN C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1 ZINC000000352134 519247370 /nfs/dbraw/zinc/24/73/70/519247370.db2.gz QLDRHFKEIMHABT-UHFFFAOYSA-N 0 0 348.435 3.695 50 30 EHEARN C=CCn1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)c(C)n1 ZINC000055154207 519275358 /nfs/dbraw/zinc/27/53/58/519275358.db2.gz QGZXLBADIZVQFG-UHFFFAOYSA-N 0 0 339.418 3.539 50 30 EHEARN C=CCn1cc(CN(Cc2ccsc2)C[C@H]2CCCO2)c(C)n1 ZINC000055369310 519277397 /nfs/dbraw/zinc/27/73/97/519277397.db2.gz TYPOKIALVNVDKA-GOSISDBHSA-N 0 0 331.485 3.620 50 30 EHEARN CC(C)c1ccc(OCC(=O)ONC(=N)c2ccccc2Cl)cc1 ZINC000005066680 519838068 /nfs/dbraw/zinc/83/80/68/519838068.db2.gz ZGCNTRCFLFGEBM-UHFFFAOYSA-N 0 0 346.814 3.706 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000003901943 521183775 /nfs/dbraw/zinc/18/37/75/521183775.db2.gz WJDUCWWSKQGQHE-KZNAEPCWSA-N 0 0 329.440 3.753 50 30 EHEARN CCCC[C@H]1SC(NN=Cc2c(O)ccc3ccccc32)=NC1=O ZINC000005713406 521252543 /nfs/dbraw/zinc/25/25/43/521252543.db2.gz BPXSRJSNTJBENH-YDDPGSGASA-N 0 0 341.436 3.657 50 30 EHEARN CCCc1ncc(NC(=O)c2cc(Br)ccc2F)cn1 ZINC000328589329 521555925 /nfs/dbraw/zinc/55/59/25/521555925.db2.gz RFMPXYJXYMZXRP-UHFFFAOYSA-N 0 0 338.180 3.967 50 30 EHEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000004045903 523541037 /nfs/dbraw/zinc/54/10/37/523541037.db2.gz XKVLLUWABVOODQ-WEVVVXLNSA-N 0 0 328.364 3.617 50 30 biogenic,in-vitro EHEARN COc1ccc(C(C)=NN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000239235783 523789024 /nfs/dbraw/zinc/78/90/24/523789024.db2.gz WSDFLKMNHSKEHV-UHFFFAOYSA-N 0 0 343.858 3.895 50 30 EHEARN CSC(=NC[C@H]1CCCO1)Nc1n[nH]c(C)c1-c1ccccc1F ZINC000020440168 525285605 /nfs/dbraw/zinc/28/56/05/525285605.db2.gz BSPHKNODKIQCJG-GFCCVEGCSA-N 0 0 348.447 3.834 50 30 EHEARN COc1cccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000007586448 525762779 /nfs/dbraw/zinc/76/27/79/525762779.db2.gz UCLWVZHTGDFFOF-VMPITWQZSA-N 0 0 341.382 3.567 50 30 EHEARN Cc1ccc(-n2c(SCCCC#N)nnc2N2CCCCC2)cc1 ZINC000007104799 525901499 /nfs/dbraw/zinc/90/14/99/525901499.db2.gz IZHLEWNFCCMJSS-UHFFFAOYSA-N 0 0 341.484 3.962 50 30 EHEARN Fc1ccccc1COc1ccccc1C=Nn1cn[nH]c1=S ZINC000005522489 526412136 /nfs/dbraw/zinc/41/21/36/526412136.db2.gz CDRADSBKFUTDDH-DJKKODMXSA-N 0 0 328.372 3.541 50 30 EHEARN N#CCCSc1ccccc1NC[C@H](O)c1ccc2c(c1)OCO2 ZINC000095944776 526463808 /nfs/dbraw/zinc/46/38/08/526463808.db2.gz RNRWILLPOZAFJL-HNNXBMFYSA-N 0 0 342.420 3.567 50 30 EHEARN N#C[C@H](Cc1c[nH]c2cccc(Cl)c12)C(=O)NCc1ccccc1 ZINC000044903649 526508296 /nfs/dbraw/zinc/50/82/96/526508296.db2.gz NUSGYWTUJHMBGI-AWEZNQCLSA-N 0 0 337.810 3.820 50 30 EHEARN Cc1nc(SCCCC#N)c(C#N)cc1C(=O)Nc1ccccc1 ZINC000031741863 527019858 /nfs/dbraw/zinc/01/98/58/527019858.db2.gz GNVPQLMXSIBKEA-UHFFFAOYSA-N 0 0 336.420 3.910 50 30 EHEARN C=CCn1c(S[C@H](C)c2cccc(C#N)c2)nnc1-c1cnccn1 ZINC000189859095 527347145 /nfs/dbraw/zinc/34/71/45/527347145.db2.gz OSTMQECAXMMEID-CYBMUJFWSA-N 0 0 348.435 3.646 50 30 EHEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(OCc2cscn2)cc1 ZINC000096307661 527689185 /nfs/dbraw/zinc/68/91/85/527689185.db2.gz GQNPUXGQUANTGA-YVMONPNESA-N 0 0 339.420 3.660 50 30 EHEARN CCN(C(C)=O)c1nc(COc2ccc(C#N)cc2Cl)cs1 ZINC000028141692 564150426 /nfs/dbraw/zinc/15/04/26/564150426.db2.gz QMULGVRMGZQDOU-UHFFFAOYSA-N 0 0 335.816 3.620 50 30 EHEARN Cc1ccc(C)c(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 ZINC000000132201 563238795 /nfs/dbraw/zinc/23/87/95/563238795.db2.gz OECRTYMPULIXIE-UHFFFAOYSA-N 0 0 335.432 3.630 50 30 EHEARN COc1ccc([C@@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1 ZINC000000275575 563270773 /nfs/dbraw/zinc/27/07/73/563270773.db2.gz YXXSBPFUSBMROQ-LJQANCHMSA-N 0 0 338.407 3.755 50 30 EHEARN CC(=O)N(c1cccc(F)c1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000000304075 563277131 /nfs/dbraw/zinc/27/71/31/563277131.db2.gz RDHJJDDTJSQULW-UHFFFAOYSA-N 0 0 343.741 3.708 50 30 EHEARN CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CCCCC1 ZINC000000431428 563311202 /nfs/dbraw/zinc/31/12/02/563311202.db2.gz NVNGUFUOKYOUJL-UHFFFAOYSA-N 0 0 331.799 3.697 50 30 EHEARN CC(=O)NC1=C(Sc2ccc(C)cc2)C(=O)c2ccccc2C1=O ZINC000001717346 563406421 /nfs/dbraw/zinc/40/64/21/563406421.db2.gz YVGZBLQDVXHTPB-UHFFFAOYSA-N 0 0 337.400 3.514 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000004312538 563499679 /nfs/dbraw/zinc/49/96/79/563499679.db2.gz JBBJWQDOKFZPFK-HNNXBMFYSA-N 0 0 327.767 3.548 50 30 EHEARN C=CCn1c(SCC#N)nc2scc(-c3ccco3)c2c1=O ZINC000002888929 563617903 /nfs/dbraw/zinc/61/79/03/563617903.db2.gz AYSWMLCMYMALLZ-UHFFFAOYSA-N 0 0 329.406 3.520 50 30 EHEARN COc1ccc(C(=O)C=CNc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000013372197 563697088 /nfs/dbraw/zinc/69/70/88/563697088.db2.gz IKIOEUOVVJBDMN-CMDGGOBGSA-N 0 0 342.351 3.729 50 30 EHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000017532630 563844737 /nfs/dbraw/zinc/84/47/37/563844737.db2.gz SDOXQIJVULDNJQ-KRWDZBQOSA-N 0 0 331.437 3.669 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccsc1 ZINC000017530222 563844748 /nfs/dbraw/zinc/84/47/48/563844748.db2.gz GBQDATNPQHMCRH-OAHLLOKOSA-N 0 0 331.437 3.525 50 30 EHEARN C=CC[C@@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccncc1 ZINC000069847203 563860068 /nfs/dbraw/zinc/86/00/68/563860068.db2.gz OVYQMFZZZPLVIG-LJQANCHMSA-N 0 0 349.434 3.646 50 30 EHEARN O=C(/C=C/c1cccnc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000043484258 563884054 /nfs/dbraw/zinc/88/40/54/563884054.db2.gz LJZCMQPSPBLCSN-ZRDIBKRKSA-N 0 0 325.371 3.528 50 30 EHEARN CC1(C)Cc2c(cc(C#N)c(=O)n2-c2cccc(Cl)c2)C(=O)C1 ZINC000032985410 563920701 /nfs/dbraw/zinc/92/07/01/563920701.db2.gz QSTICWUCUIXJKN-UHFFFAOYSA-N 0 0 326.783 3.518 50 30 EHEARN CCCn1cc(-c2cc(-c3ccc(C#N)cc3)c(C#N)c(N)n2)c(C)n1 ZINC000071388799 563933324 /nfs/dbraw/zinc/93/33/24/563933324.db2.gz UXXDRJPTXMVPGN-UHFFFAOYSA-N 0 0 342.406 3.656 50 30 EHEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000057524850 563935728 /nfs/dbraw/zinc/93/57/28/563935728.db2.gz XZUKIIVJHPAZHA-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN C[C@@H](C#N)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000096408463 563950240 /nfs/dbraw/zinc/95/02/40/563950240.db2.gz XAWYNNJWJAYBSK-LBPRGKRZSA-N 0 0 339.782 3.893 50 30 EHEARN C[C@H](c1ccco1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000072583562 563974341 /nfs/dbraw/zinc/97/43/41/563974341.db2.gz MRCNNVJGLQQKSF-CYBMUJFWSA-N 0 0 329.425 3.527 50 30 EHEARN Cc1nc(-c2c(C#N)c(N)nc3c2C[C@H](c2ccccc2)CC3)c[nH]1 ZINC000071750257 563983003 /nfs/dbraw/zinc/98/30/03/563983003.db2.gz IDDRMGGOBBZRNT-CQSZACIVSA-N 0 0 329.407 3.507 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)C[C@@H](c1ccccc1)CC2 ZINC000071777096 563983083 /nfs/dbraw/zinc/98/30/83/563983083.db2.gz ZASKYSHGHPKTTD-AWEZNQCLSA-N 0 0 345.402 3.560 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)o1 ZINC000102718041 563983242 /nfs/dbraw/zinc/98/32/42/563983242.db2.gz LELBOZMHWXZXIT-GOSISDBHSA-N 0 0 343.423 3.755 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000408513672 563992758 /nfs/dbraw/zinc/99/27/58/563992758.db2.gz MJAIYGOCCYLIMS-RTWAWAEBSA-N 0 0 341.414 3.748 50 30 EHEARN C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1)OCC ZINC000270110349 563997729 /nfs/dbraw/zinc/99/77/29/563997729.db2.gz SJZQTASHAVWTDE-QZTJIDSGSA-N 0 0 341.455 3.906 50 30 EHEARN CN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1cc(Cl)ccc1C#N ZINC000270631034 563999241 /nfs/dbraw/zinc/99/92/41/563999241.db2.gz IRIDMGHIRGKZRI-MRXNPFEDSA-N 0 0 340.810 3.992 50 30 EHEARN CCCNc1ccc(C#N)cc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000076042064 564000707 /nfs/dbraw/zinc/00/07/07/564000707.db2.gz BLYTUPWVQADXIT-UHFFFAOYSA-N 0 0 347.374 3.739 50 30 EHEARN COc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000000483436 564016849 /nfs/dbraw/zinc/01/68/49/564016849.db2.gz VRELEDVSCJYUDY-SOFGYWHQSA-N 0 0 342.420 3.906 50 30 EHEARN O=C1CCCC2=Nc3ncnn3[C@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000018195721 564018667 /nfs/dbraw/zinc/01/86/67/564018667.db2.gz FMPROSXAPOHAOW-HXUWFJFHSA-N 0 0 342.402 3.967 50 30 EHEARN C[C@@]1(C(=O)/C(Br)=C/c2ccc(Br)cc2)CO1 ZINC000000500617 564018962 /nfs/dbraw/zinc/01/89/62/564018962.db2.gz NAUGDUPWWZKRAV-GYGFLDJKSA-N 0 0 346.018 3.543 50 30 EHEARN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cncc3ccccc32)c1 ZINC000102099315 564019851 /nfs/dbraw/zinc/01/98/51/564019851.db2.gz QSOLSOXHAGZZSC-KRWDZBQOSA-N 0 0 329.359 3.504 50 30 EHEARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1cccc(F)c1 ZINC000000522482 564021109 /nfs/dbraw/zinc/02/11/09/564021109.db2.gz PNRYOKRJUCSIPE-ODCIPOBUSA-N 0 0 340.745 3.553 50 30 EHEARN Cc1ccccc1-c1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 ZINC000000529078 564021386 /nfs/dbraw/zinc/02/13/86/564021386.db2.gz PSIKGRGOIJRBGJ-UHFFFAOYSA-N 0 0 333.347 3.863 50 30 EHEARN COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)ccc1C ZINC000103504508 564022589 /nfs/dbraw/zinc/02/25/89/564022589.db2.gz DWHDEPXIHIYPPM-CYBMUJFWSA-N 0 0 342.782 3.618 50 30 EHEARN N#Cc1cccc(OC2CCN(C(=O)CCc3ccsc3)CC2)c1 ZINC000104485604 564023887 /nfs/dbraw/zinc/02/38/87/564023887.db2.gz JYRMEWNIUKVVRC-UHFFFAOYSA-N 0 0 340.448 3.622 50 30 EHEARN CCOc1cc(C#N)ccc1OCc1nc(-c2ccsc2)no1 ZINC000048278624 564030639 /nfs/dbraw/zinc/03/06/39/564030639.db2.gz ROWVYBWSMHVKEZ-UHFFFAOYSA-N 0 0 327.365 3.647 50 30 EHEARN C=C(C)[C@@H]1CCC(C)=C1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002911367 564036001 /nfs/dbraw/zinc/03/60/01/564036001.db2.gz ODNGRTYVODPOKA-HNNXBMFYSA-N 0 0 346.339 3.962 50 30 EHEARN O=C1c2ccccc2C(=O)C1=Cc1cn(C[C@H]2CO2)c2ccccc12 ZINC000220975327 564036014 /nfs/dbraw/zinc/03/60/14/564036014.db2.gz WZTZTCRRQRYPHK-AWEZNQCLSA-N 0 0 329.355 3.503 50 30 EHEARN N#CC(C#N)[C@@H](CC(=O)c1ccc[nH]1)c1ccc(Br)cc1 ZINC000001028038 564054148 /nfs/dbraw/zinc/05/41/48/564054148.db2.gz VVHOWVRWGYSJIG-AWEZNQCLSA-N 0 0 342.196 3.797 50 30 EHEARN C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3/C(=N\O)C[C@@]12C ZINC000257355815 564055917 /nfs/dbraw/zinc/05/59/17/564055917.db2.gz CVXAFNPPFCWCEW-DICDXQFBSA-N 0 0 349.515 3.827 50 30 EHEARN CC(C)N(C)C(=O)c1ccc(CNc2cccc(F)c2C#N)cc1 ZINC000025567520 564056208 /nfs/dbraw/zinc/05/62/08/564056208.db2.gz PBXNHJQFHOCRHY-UHFFFAOYSA-N 0 0 325.387 3.790 50 30 EHEARN C=CCC[C@H](C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000071405096 564063737 /nfs/dbraw/zinc/06/37/37/564063737.db2.gz PFOFIDOUFVILPU-GOSISDBHSA-N 0 0 328.433 3.986 50 30 EHEARN Cc1snc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1C#N ZINC000001395809 564064437 /nfs/dbraw/zinc/06/44/37/564064437.db2.gz BSNJSITUCMTRCJ-UHFFFAOYSA-N 0 0 347.248 3.604 50 30 EHEARN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@H](c2ccccc2)O1 ZINC000063587308 564073335 /nfs/dbraw/zinc/07/33/35/564073335.db2.gz BMDXASIDODXENP-IERDGZPVSA-N 0 0 331.419 3.773 50 30 EHEARN C=CCSc1nc2ccccc2n1C(=O)c1ccc2c(c1)OCO2 ZINC000002277957 564074835 /nfs/dbraw/zinc/07/48/35/564074835.db2.gz OYIXSBLJGKNRNR-UHFFFAOYSA-N 0 0 338.388 3.732 50 30 EHEARN COc1ccccc1-c1csc(NC(=O)c2ccc(C#N)cc2)n1 ZINC000001514790 564075204 /nfs/dbraw/zinc/07/52/04/564075204.db2.gz XYUHGCZYQGUQBI-UHFFFAOYSA-N 0 0 335.388 3.943 50 30 EHEARN CSc1nc(Cl)ccc1C(=O)Nc1ccc(OCC#N)cc1 ZINC000075108848 564080264 /nfs/dbraw/zinc/08/02/64/564080264.db2.gz DFXDQZUJAHZHCL-UHFFFAOYSA-N 0 0 333.800 3.612 50 30 EHEARN C=CC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccncc1 ZINC000075141123 564080672 /nfs/dbraw/zinc/08/06/72/564080672.db2.gz PQDSGBGRTZBCQC-HNNXBMFYSA-N 0 0 343.408 3.759 50 30 EHEARN Cc1ccc(SCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1 ZINC000053523910 564081862 /nfs/dbraw/zinc/08/18/62/564081862.db2.gz CEFYPOHQTTXRKV-UHFFFAOYSA-N 0 0 325.397 3.555 50 30 EHEARN C[C@H](C#N)CN(C)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000064267574 564085665 /nfs/dbraw/zinc/08/56/65/564085665.db2.gz QRSMEKPICGVGIR-OAHLLOKOSA-N 0 0 349.434 3.590 50 30 EHEARN C=CCN(Cc1cc(-c2cccs2)on1)S(=O)(=O)C(C)(C)C ZINC000090991035 564087140 /nfs/dbraw/zinc/08/71/40/564087140.db2.gz NERCEBYUMOOZGF-UHFFFAOYSA-N 0 0 340.470 3.519 50 30 EHEARN COc1cc2c(cc1OC)CN(c1ccc3cc(C#N)ccc3n1)CC2 ZINC000089429475 564090566 /nfs/dbraw/zinc/09/05/66/564090566.db2.gz YEXNFLVFEVSJMB-UHFFFAOYSA-N 0 0 345.402 3.686 50 30 EHEARN CCCCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000252632433 564090738 /nfs/dbraw/zinc/09/07/38/564090738.db2.gz VTEOESQGMPJHGP-UHFFFAOYSA-N 0 0 330.453 3.868 50 30 EHEARN Cc1csc([C@H](C#N)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000079014714 564091708 /nfs/dbraw/zinc/09/17/08/564091708.db2.gz IZMDMNTYKOFUEE-OAHLLOKOSA-N 0 0 335.388 3.501 50 30 EHEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000006649032 564095089 /nfs/dbraw/zinc/09/50/89/564095089.db2.gz AIOCMIFQELZDRK-UHFFFAOYSA-N 0 0 342.811 3.819 50 30 EHEARN CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(C#N)c1 ZINC000008152391 564100210 /nfs/dbraw/zinc/10/02/10/564100210.db2.gz DODROCNRZREKBR-UHFFFAOYSA-N 0 0 348.233 3.936 50 30 EHEARN C[C@@H](C#N)Sc1nnc(N2CCCC2)n1-c1ccccc1Cl ZINC000006994399 564102754 /nfs/dbraw/zinc/10/27/54/564102754.db2.gz WGSFNSBYQQPQSF-NSHDSACASA-N 0 0 333.848 3.525 50 30 EHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2NCC#N ZINC000524730136 564103724 /nfs/dbraw/zinc/10/37/24/564103724.db2.gz WWGMIWNOEKZCJH-GAJPOIFQSA-N 0 0 330.516 3.872 50 30 biogenic EHEARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000007061790 564104506 /nfs/dbraw/zinc/10/45/06/564104506.db2.gz ZEBKIEFINXDBTJ-UHFFFAOYSA-N 0 0 348.431 3.783 50 30 EHEARN Cc1ccc(-c2nc(CON=C(N)Cc3csc(C)n3)cs2)o1 ZINC000065498119 564106555 /nfs/dbraw/zinc/10/65/55/564106555.db2.gz YZMJHIBZXGQUHN-UHFFFAOYSA-N 0 0 348.453 3.508 50 30 EHEARN COc1ccc(Nc2c(C#N)cnc3c(OC)cccc32)cc1OC ZINC000016841268 564113756 /nfs/dbraw/zinc/11/37/56/564113756.db2.gz MXXJOOPVXDWDJO-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN N#Cc1ccsc1C(=O)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000089800382 564113946 /nfs/dbraw/zinc/11/39/46/564113946.db2.gz SWGSHNBQSIVBCU-UHFFFAOYSA-N 0 0 338.310 3.678 50 30 EHEARN CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000252461043 564118725 /nfs/dbraw/zinc/11/87/25/564118725.db2.gz KCRSEZXSWSYFAT-UHFFFAOYSA-N 0 0 328.397 3.614 50 30 EHEARN Cc1nn2c(nc(C)cc2-c2ccc(Br)cc2)c1C#N ZINC000007604623 564120884 /nfs/dbraw/zinc/12/08/84/564120884.db2.gz FHXUYSBEKOBMLD-UHFFFAOYSA-N 0 0 327.185 3.647 50 30 EHEARN CC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000007667396 564121734 /nfs/dbraw/zinc/12/17/34/564121734.db2.gz OGIMLAIBJKHJPN-UHFFFAOYSA-N 0 0 333.347 3.705 50 30 EHEARN Cc1ccc([C@@]2(CC(=O)N(C)CCC#N)CCOC(C)(C)C2)cc1 ZINC000002277483 564125638 /nfs/dbraw/zinc/12/56/38/564125638.db2.gz DVZIHULIUIDZAQ-HXUWFJFHSA-N 0 0 328.456 3.584 50 30 EHEARN Cc1nccn1CCCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000253415539 564130733 /nfs/dbraw/zinc/13/07/33/564130733.db2.gz USROIQGKHOJJJH-UHFFFAOYSA-N 0 0 345.328 3.531 50 30 EHEARN COc1nc2c(c(-c3ccco3)c1C#N)Cc1cc(NC(C)=O)ccc1-2 ZINC000000079799 564132782 /nfs/dbraw/zinc/13/27/82/564132782.db2.gz UPPRLLUFSXROEZ-UHFFFAOYSA-N 0 0 345.358 3.751 50 30 EHEARN N#Cc1ccccc1Cn1nnc(-c2ccc(Cl)cc2Cl)n1 ZINC000225404772 564134452 /nfs/dbraw/zinc/13/44/52/564134452.db2.gz VVBXPTKYAKOQBS-UHFFFAOYSA-N 0 0 330.178 3.567 50 30 EHEARN N#Cc1ccc(-c2cnc(CNc3cc(CO)ccc3Cl)o2)cc1 ZINC000080757460 564141751 /nfs/dbraw/zinc/14/17/51/564141751.db2.gz UWXRAMWVTBVUIC-UHFFFAOYSA-N 0 0 339.782 3.971 50 30 EHEARN COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1OC(F)F ZINC000096180060 564145838 /nfs/dbraw/zinc/14/58/38/564145838.db2.gz YPSSQSQCWRHSTJ-ALCCZGGFSA-N 0 0 336.338 3.543 50 30 EHEARN Cc1nc(COc2ccc(/C=C\C(=O)c3ccsc3)cc2)no1 ZINC000096188139 564145885 /nfs/dbraw/zinc/14/58/85/564145885.db2.gz VCSQRPHFAZMOMC-DAXSKMNVSA-N 0 0 326.377 3.915 50 30 EHEARN C#Cc1cccc(NC(=O)/C=C\c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000096404443 564147282 /nfs/dbraw/zinc/14/72/82/564147282.db2.gz WRKUZAFIOCUMJG-HJWRWDBZSA-N 0 0 341.794 3.990 50 30 EHEARN N#Cc1ccc(-c2nnc(Cn3ccnc3-c3cccs3)o2)cc1 ZINC000097037353 564149221 /nfs/dbraw/zinc/14/92/21/564149221.db2.gz KJYNLHOBWJTOOL-UHFFFAOYSA-N 0 0 333.376 3.582 50 30 EHEARN N#Cc1c(NC(=O)[C@H]2COc3ccccc3C2)sc2c1CCCC2 ZINC000028166624 564150467 /nfs/dbraw/zinc/15/04/67/564150467.db2.gz KBARYUQASUXSJV-CYBMUJFWSA-N 0 0 338.432 3.688 50 30 EHEARN C=CCOc1ccc(/C=C2/SC(=S)N(CC=C)C2=O)cc1OC ZINC000002933294 564153120 /nfs/dbraw/zinc/15/31/20/564153120.db2.gz NQDROSZYUWUNAW-RVDMUPIBSA-N 0 0 347.461 3.647 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004082272 564160437 /nfs/dbraw/zinc/16/04/37/564160437.db2.gz UQVIXFCYKBWZPJ-YAOKXXDHSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN C=CCNc1nnc(Sc2ncnc3sc(C)c(C)c32)s1 ZINC000008201735 564163540 /nfs/dbraw/zinc/16/35/40/564163540.db2.gz MWJYKTHBYYEYNP-UHFFFAOYSA-N 0 0 335.483 3.909 50 30 EHEARN CCOCCCNc1oc(/C=C/c2cccc(OC)c2)nc1C#N ZINC000008253219 564163830 /nfs/dbraw/zinc/16/38/30/564163830.db2.gz MXAMKOBHHBLADW-CMDGGOBGSA-N 0 0 327.384 3.564 50 30 EHEARN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CC=C(c2ccccc2)CC1 ZINC000008312994 564164195 /nfs/dbraw/zinc/16/41/95/564164195.db2.gz VNXNZGRUWSVJBS-MRXNPFEDSA-N 0 0 331.419 3.675 50 30 EHEARN COc1ccc(C=Nn2cc(-c3ccc(Cl)cc3)nc2N)cc1 ZINC000008574882 564165776 /nfs/dbraw/zinc/16/57/76/564165776.db2.gz CLTKGVKXXIDAGR-UHFFFAOYSA-N 0 0 326.787 3.677 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)CCc1ccc(Cl)s1 ZINC000069453315 564169621 /nfs/dbraw/zinc/16/96/21/564169621.db2.gz HKZHUZCQDZPVRD-UHFFFAOYSA-N 0 0 333.844 3.672 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NCC(=O)NCc1cccs1 ZINC000069737157 564171790 /nfs/dbraw/zinc/17/17/90/564171790.db2.gz WVOWMXSTTXUFJD-ZDUSSCGKSA-N 0 0 345.493 3.728 50 30 EHEARN Cc1csc([C@H](C#N)C(=O)c2ccc(OCc3ccccn3)cc2)n1 ZINC000076763224 564176490 /nfs/dbraw/zinc/17/64/90/564176490.db2.gz PELMNBJKNOPTAH-QGZVFWFLSA-N 0 0 349.415 3.916 50 30 EHEARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2=O)cc1 ZINC000096893576 1021210058 /nfs/dbraw/zinc/21/00/58/1021210058.db2.gz IMTKLRJYCWYBDW-WDZFZDKYSA-N 0 0 336.347 3.618 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(F)c1)CCO2 ZINC000255890035 1033282491 /nfs/dbraw/zinc/28/24/91/1033282491.db2.gz MKRDSCUKXCJIBY-UKTHLTGXSA-N 0 0 328.339 3.892 50 30 EHEARN O=C(CON=Cc1ccccc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000254912771 1035604743 /nfs/dbraw/zinc/60/47/43/1035604743.db2.gz YIWCTVDIDUKWRT-GOSISDBHSA-N 0 0 342.826 3.884 50 30 EHEARN COCCN=c1scc(-c2cccs2)n1N=C(C)c1ccco1 ZINC000254501614 1040125803 /nfs/dbraw/zinc/12/58/03/1040125803.db2.gz QSEXTKQPFOPHJI-UHFFFAOYSA-N 0 0 347.465 3.691 50 30 EHEARN Cn1cc(CSCCCC2(C#N)CCOCC2)c(C(F)F)n1 ZINC000252497674 1121419278 /nfs/dbraw/zinc/41/92/78/1121419278.db2.gz QMUHRTPZQDUYHS-UHFFFAOYSA-N 0 0 329.416 3.691 50 30 EHEARN Cc1ccnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)n1 ZINC000032704565 1122054556 /nfs/dbraw/zinc/05/45/56/1122054556.db2.gz DHMLKZMAHHOWLS-BOPFTXTBSA-N 0 0 339.464 3.758 50 30 EHEARN CC#CC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000012058032 1129306575 /nfs/dbraw/zinc/30/65/75/1129306575.db2.gz RSNYOBURGQSYGT-UHFFFAOYSA-N 0 0 342.398 3.917 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H]2C[C@@H](OCC)C23CCCCC3)N=N1 ZINC000952879732 1137483266 /nfs/dbraw/zinc/48/32/66/1137483266.db2.gz AMCKFYORYDQBHM-JKSUJKDBSA-N 0 0 331.460 3.586 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H]2C[C@@H](OCC)C23CCCCC3)N=N1 ZINC000952879731 1137483276 /nfs/dbraw/zinc/48/32/76/1137483276.db2.gz AMCKFYORYDQBHM-HZPDHXFCSA-N 0 0 331.460 3.586 50 30 EHEARN COc1cc(/C=C\C(=O)Nc2ccc3c(c2)CCC3)ccc1OCC#N ZINC000006008536 1138844580 /nfs/dbraw/zinc/84/45/80/1138844580.db2.gz NTSIPTHGDDAZKJ-POHAHGRESA-N 0 0 348.402 3.738 50 30 EHEARN COc1ccc(C#N)cc1NC(=O)N1CCc2sccc2[C@@H]1C ZINC000050107845 214045788 /nfs/dbraw/zinc/04/57/88/214045788.db2.gz QWCHWRSPXYXJLV-NSHDSACASA-N 0 0 327.409 3.780 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000004728318 210261606 /nfs/dbraw/zinc/26/16/06/210261606.db2.gz BAAYCIREEVSRJD-QGZVFWFLSA-N 0 0 345.826 3.871 50 30 EHEARN CSc1nc(C2CC2)cc(C(=O)Nc2ncc(C)s2)c1C#N ZINC000053677855 214193857 /nfs/dbraw/zinc/19/38/57/214193857.db2.gz HYNCHBRHENFDNL-UHFFFAOYSA-N 0 0 330.438 3.570 50 30 EHEARN CC(C)CN(Cc1ccsc1)C(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000055342519 214309754 /nfs/dbraw/zinc/30/97/54/214309754.db2.gz MTCPUNIDOAIBEE-UHFFFAOYSA-N 0 0 345.464 3.762 50 30 EHEARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000098007719 219068362 /nfs/dbraw/zinc/06/83/62/219068362.db2.gz XNHADKUQXIDFPP-XFFZJAGNSA-N 0 0 345.402 3.867 50 30 EHEARN CC/N=C1\S/C(=C\c2cc(Br)cs2)C(=O)N1CC ZINC000004591895 210228949 /nfs/dbraw/zinc/22/89/49/210228949.db2.gz KOHDPBVATCGFMA-FWNMTXRZSA-N 0 0 345.287 3.823 50 30 EHEARN COC(=O)c1ccccc1/N=C/c1cc(Br)ccc1O ZINC000100037625 219089107 /nfs/dbraw/zinc/08/91/07/219089107.db2.gz FQLYLDXIOCTHJV-RQZCQDPDSA-N 0 0 334.169 3.692 50 30 EHEARN COc1ccc(CNc2oc(COc3ccccc3)nc2C#N)cc1 ZINC000004325674 210172128 /nfs/dbraw/zinc/17/21/28/210172128.db2.gz JWTRKPMECGZVPI-UHFFFAOYSA-N 0 0 335.363 3.746 50 30 EHEARN C[C@@H]1C[C@@H](C)CN(c2oc(COc3ccccc3F)nc2C#N)C1 ZINC000004223243 210147396 /nfs/dbraw/zinc/14/73/96/210147396.db2.gz MSHPAAOTXACUNM-CHWSQXEVSA-N 0 0 329.375 3.747 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000003901940 210089104 /nfs/dbraw/zinc/08/91/04/210089104.db2.gz RXKQWQWAWGCAQF-DJIMGWMZSA-N 0 0 333.403 3.817 50 30 EHEARN N#CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000003572650 210057184 /nfs/dbraw/zinc/05/71/84/210057184.db2.gz YQERUGUBSXIHFP-UHFFFAOYSA-N 0 0 328.347 3.828 50 30 EHEARN Cc1cnc(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2)o1 ZINC000066809654 215080496 /nfs/dbraw/zinc/08/04/96/215080496.db2.gz JERHAGZVDLCVKK-CQSZACIVSA-N 0 0 347.374 3.928 50 30 EHEARN C=C(C)COc1cccc(NC(=O)N(C)Cc2c(C)noc2C)c1 ZINC000067319874 215132837 /nfs/dbraw/zinc/13/28/37/215132837.db2.gz YEFNCKNSEJPJAW-UHFFFAOYSA-N 0 0 329.400 3.910 50 30 EHEARN CC(=O)Nc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@](C)(c1ccc(C#N)cc1)N2 ZINC000103020864 219248789 /nfs/dbraw/zinc/24/87/89/219248789.db2.gz BMIGNNXHCXWAGS-JBACZVJFSA-N 0 0 347.418 3.935 50 30 EHEARN CCn1cc(-c2cc(-c3ccc(Cl)s3)nc(N)c2C#N)cn1 ZINC000067447040 215146650 /nfs/dbraw/zinc/14/66/50/215146650.db2.gz NENJMNWBEOPNLV-UHFFFAOYSA-N 0 0 329.816 3.801 50 30 EHEARN Cc1oc(-c2cccc(F)c2F)nc1COc1cccnc1C#N ZINC000067513751 215155415 /nfs/dbraw/zinc/15/54/15/215155415.db2.gz YGGWTAUACWQCJT-UHFFFAOYSA-N 0 0 327.290 3.774 50 30 EHEARN COc1ccc(-c2c(C)c(-c3ccccc3)nc(N)c2C#N)cc1O ZINC000067588628 215166193 /nfs/dbraw/zinc/16/61/93/215166193.db2.gz DCEDIUHMZBMYLA-UHFFFAOYSA-N 0 0 331.375 3.892 50 30 EHEARN C=CCN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000067603544 215166888 /nfs/dbraw/zinc/16/68/88/215166888.db2.gz VNHQZROFEZLVJA-UHFFFAOYSA-N 0 0 340.301 3.530 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000003011884 209954565 /nfs/dbraw/zinc/95/45/65/209954565.db2.gz DMCVWHOYYSZJET-XFFZJAGNSA-N 0 0 340.813 3.635 50 30 EHEARN N#Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)cc1 ZINC000103504608 219309755 /nfs/dbraw/zinc/30/97/55/219309755.db2.gz XYGVLPYMMGWWCG-SFHVURJKSA-N 0 0 339.354 3.673 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000040153793 213275224 /nfs/dbraw/zinc/27/52/24/213275224.db2.gz CORMRCSNWCFESX-KRWDZBQOSA-N 0 0 339.351 3.768 50 30 EHEARN Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1 ZINC000069536558 215466876 /nfs/dbraw/zinc/46/68/76/215466876.db2.gz VCGAQWHPMVIXGU-UHFFFAOYSA-N 0 0 333.347 3.686 50 30 EHEARN N#Cc1cc(NC(=O)/C=C/c2ccco2)ccc1OCC(F)(F)F ZINC000040106919 213266155 /nfs/dbraw/zinc/26/61/55/213266155.db2.gz CDESPLDPPVZJHR-GQCTYLIASA-N 0 0 336.269 3.744 50 30 EHEARN CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N ZINC000037868559 213171703 /nfs/dbraw/zinc/17/17/03/213171703.db2.gz WINVEZIECVRQCS-UHFFFAOYSA-N 0 0 339.464 3.711 50 30 EHEARN N#Cc1c(N)nc(-c2cc(F)c(F)cc2F)cc1-c1cccc(O)c1 ZINC000071759192 215814891 /nfs/dbraw/zinc/81/48/91/215814891.db2.gz OVYWAPPVVCZEKX-UHFFFAOYSA-N 0 0 341.292 3.992 50 30 EHEARN CC(C)(C)[S@@](=O)N=C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000072194336 216068407 /nfs/dbraw/zinc/06/84/07/216068407.db2.gz QUHHZMADJVANJL-DEOSSOPVSA-N 0 0 340.492 3.995 50 30 EHEARN Cc1ccnc(SCC(=O)c2ccc(Br)cc2)c1C#N ZINC000000405374 209570881 /nfs/dbraw/zinc/57/08/81/209570881.db2.gz UVUOCBBYYXDFOU-UHFFFAOYSA-N 0 0 347.237 3.999 50 30 EHEARN C[S@](=O)Cc1ccc(Cl)c(NCCOc2ccc(C#N)cc2)c1 ZINC000072287155 216119216 /nfs/dbraw/zinc/11/92/16/216119216.db2.gz HBCDHPHHCPVLMW-HSZRJFAPSA-N 0 0 348.855 3.581 50 30 EHEARN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3ccccc3)c12 ZINC000000154617 209456265 /nfs/dbraw/zinc/45/62/65/209456265.db2.gz XKMNKHBGGYBICO-UHFFFAOYSA-N 0 0 326.359 3.973 50 30 EHEARN Cc1nn2c(nc(C)cc2N2CCC(C#N)(c3ccccc3)CC2)c1C ZINC000072440869 216235365 /nfs/dbraw/zinc/23/53/65/216235365.db2.gz FJISZHZVWGQZBV-UHFFFAOYSA-N 0 0 345.450 3.716 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)c([N+](=O)[O-])c1)CO2 ZINC000022958192 212339285 /nfs/dbraw/zinc/33/92/85/212339285.db2.gz GLHGTCWEDQVJIU-NTUHNPAUSA-N 0 0 325.320 3.571 50 30 EHEARN N#Cc1ccccc1OCC(=O)N(Cc1ccsc1)c1cccnc1 ZINC000193508315 240194078 /nfs/dbraw/zinc/19/40/78/240194078.db2.gz FLRFYUIZKULROX-UHFFFAOYSA-N 0 0 349.415 3.627 50 30 EHEARN COc1cccc([C@H](Nc2cccc(F)c2C#N)c2nccn2C)c1 ZINC000022263002 212285808 /nfs/dbraw/zinc/28/58/08/212285808.db2.gz FKDUCZHXTBKZEK-SFHVURJKSA-N 0 0 336.370 3.641 50 30 EHEARN C=CCSc1ccccc1NC(=O)CN1CCn2cccc2[C@@H]1C ZINC000021579442 212233338 /nfs/dbraw/zinc/23/33/38/212233338.db2.gz YFJKIWXLHNFYPP-HNNXBMFYSA-N 0 0 341.480 3.782 50 30 EHEARN CNc1nc(Nc2ccccc2OC)c(C#N)c2c1COC(C)(C)C2 ZINC000020590823 212149607 /nfs/dbraw/zinc/14/96/07/212149607.db2.gz GRTJVWHQMQEVSR-UHFFFAOYSA-N 0 0 338.411 3.598 50 30 EHEARN N#Cc1ccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cn1 ZINC000253426012 243962458 /nfs/dbraw/zinc/96/24/58/243962458.db2.gz KYWBYJVHMJKRDA-MRXNPFEDSA-N 0 0 333.313 3.550 50 30 EHEARN N#Cc1cccc(Cn2ccc(-c3cccc(-c4ncccn4)c3)n2)c1 ZINC000020167081 212108504 /nfs/dbraw/zinc/10/85/04/212108504.db2.gz GWZHJHDKYQYALS-UHFFFAOYSA-N 0 0 337.386 3.927 50 30 EHEARN C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1 ZINC000020065875 212099455 /nfs/dbraw/zinc/09/94/55/212099455.db2.gz BZFLKIWGNVQLMN-QNGOZBTKSA-N 0 0 343.858 3.587 50 30 EHEARN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\Sc1nnnn1-c1ccccc1 ZINC000019944786 212089774 /nfs/dbraw/zinc/08/97/74/212089774.db2.gz YVYPBJXLAAIUJT-HBPLEFGHSA-N 0 0 340.452 3.664 50 30 EHEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\Sc1nnnn1-c1ccccc1 ZINC000019944789 212089611 /nfs/dbraw/zinc/08/96/11/212089611.db2.gz YVYPBJXLAAIUJT-KWAITVBVSA-N 0 0 340.452 3.664 50 30 EHEARN Cc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019879394 212078484 /nfs/dbraw/zinc/07/84/84/212078484.db2.gz KKUNVVAVHXAQOB-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN C/C(=N\N1CCN(Cc2ccccc2Cl)CC1)c1ccccc1O ZINC000019791070 212067877 /nfs/dbraw/zinc/06/78/77/212067877.db2.gz USDAOGBMSFWGHD-RCCKNPSSSA-N 0 0 343.858 3.587 50 30 EHEARN C(=N/N1CCN(Cc2ccccc2)CC1)\c1cccc2ccccc12 ZINC000019771580 212063185 /nfs/dbraw/zinc/06/31/85/212063185.db2.gz RIRNOMXXURRKDY-HAVVHWLPSA-N 0 0 329.447 3.992 50 30 EHEARN CCOc1ccc(OC(C)(C)C(=O)OCc2ccccc2C#N)cc1 ZINC000019197050 212003235 /nfs/dbraw/zinc/00/32/35/212003235.db2.gz LCZIBEDGFXHISA-UHFFFAOYSA-N 0 0 339.391 3.858 50 30 EHEARN N#Cc1cc2c(N)c(C(=O)c3ccc4ccccc4c3)sc2nc1N ZINC000018240453 211992813 /nfs/dbraw/zinc/99/28/13/211992813.db2.gz OHPIILOILIKNHU-UHFFFAOYSA-N 0 0 344.399 3.717 50 30 EHEARN Cc1cc(N[C@@H](CO)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000078536081 217070539 /nfs/dbraw/zinc/07/05/39/217070539.db2.gz VQWBLJZAUHKZMA-SFHVURJKSA-N 0 0 342.402 3.813 50 30 EHEARN Cc1ccc([C@H](NC(=O)CSc2cc(C#N)ccn2)C2CC2)cc1 ZINC000078754231 217113498 /nfs/dbraw/zinc/11/34/98/217113498.db2.gz ZUBIJHIRINTWBB-IBGZPJMESA-N 0 0 337.448 3.621 50 30 EHEARN O=[N+]([O-])c1ccc(CN=Nc2nnc(Cl)c3ccccc32)cc1 ZINC000017138719 211956819 /nfs/dbraw/zinc/95/68/19/211956819.db2.gz KVFYNPRTDIOTAX-RQZCQDPDSA-N 0 0 327.731 3.637 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)SC1=S ZINC000016192844 211889317 /nfs/dbraw/zinc/88/93/17/211889317.db2.gz VXJZYQBVEZIGOJ-GDNBJRDFSA-N 0 0 349.477 3.870 50 30 EHEARN C=CCSc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000015819169 211854518 /nfs/dbraw/zinc/85/45/18/211854518.db2.gz LMZITTIHIQMUDB-UHFFFAOYSA-N 0 0 347.461 3.621 50 30 EHEARN C[C@H](C#N)Sc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000014166753 211697719 /nfs/dbraw/zinc/69/77/19/211697719.db2.gz HRCMGOCGGGSEKC-MRVPVSSYSA-N 0 0 333.463 3.728 50 30 EHEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccccc1 ZINC000083253157 217541340 /nfs/dbraw/zinc/54/13/40/217541340.db2.gz UAUVPRONXAAGKY-LYQBTNCESA-N 0 0 349.459 3.749 50 30 EHEARN Cc1nc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(C#N)c(C)c1C ZINC000012525047 211399339 /nfs/dbraw/zinc/39/93/39/211399339.db2.gz JTJDMLIDTCJONQ-XWCIJXRUSA-N 0 0 345.512 3.912 50 30 EHEARN Cc1cc2c(cc1Br)NC(=O)/C2=N\c1ccc(O)cc1 ZINC000012446981 211384617 /nfs/dbraw/zinc/38/46/17/211384617.db2.gz PSXRNRUEPVOBBR-UHFFFAOYSA-N 0 0 331.169 3.536 50 30 EHEARN N#CC1(C(=O)N2CCC(c3nc4ccccc4s3)CC2)CCC1 ZINC000089875032 217868734 /nfs/dbraw/zinc/86/87/34/217868734.db2.gz XSVJURAOCPGTSH-UHFFFAOYSA-N 0 0 325.437 3.696 50 30 EHEARN COCc1c(C#N)c(NCc2ccccc2)nc(C)c1-n1cccc1 ZINC000012372113 211358195 /nfs/dbraw/zinc/35/81/95/211358195.db2.gz UCCWIQUFPAZCMV-UHFFFAOYSA-N 0 0 332.407 3.811 50 30 EHEARN COc1ccc(C=CC(=O)C2=CN(C)C(=O)N[C@@H]2c2ccccc2)cc1 ZINC000012296860 211335466 /nfs/dbraw/zinc/33/54/66/211335466.db2.gz CUKVVECEIJPVTK-XEDBTPMOSA-N 0 0 348.402 3.558 50 30 biogenic EHEARN N#Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1Cl ZINC000010514979 211178655 /nfs/dbraw/zinc/17/86/55/211178655.db2.gz DBTXWZZYRNOKQA-UHFFFAOYSA-N 0 0 346.839 3.891 50 30 EHEARN C#CCSc1nc2ccccc2c2nc(-c3ccccc3OC)nn21 ZINC000009476854 211089659 /nfs/dbraw/zinc/08/96/59/211089659.db2.gz FIBGDKBBFGEJQL-UHFFFAOYSA-N 0 0 346.415 3.678 50 30 EHEARN COc1ccc(Cl)cc1NC(=O)CSc1nc(C)ccc1C#N ZINC000009355617 211073241 /nfs/dbraw/zinc/07/32/41/211073241.db2.gz RFEYJBHOSHIMLI-UHFFFAOYSA-N 0 0 347.827 3.655 50 30 EHEARN Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000009133971 211042527 /nfs/dbraw/zinc/04/25/27/211042527.db2.gz PMLANVSHZPVQJP-ABKXIKBNSA-N 0 0 328.803 3.508 50 30 EHEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000009088594 211039442 /nfs/dbraw/zinc/03/94/42/211039442.db2.gz UDOPPWUOKCGGIJ-OXJNMPFZSA-N 0 0 342.402 3.694 50 30 EHEARN Cc1cc(C)cc(C(=O)ONC(=N)c2ccc(Br)cc2)c1 ZINC000008572467 210966939 /nfs/dbraw/zinc/96/69/39/210966939.db2.gz PNINOPDCSYZRII-UHFFFAOYSA-N 0 0 347.212 3.543 50 30 EHEARN C[C@@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccccc1C#N ZINC000007701769 210833428 /nfs/dbraw/zinc/83/34/28/210833428.db2.gz POIBDHDTDKPJIN-CQSZACIVSA-N 0 0 328.412 3.789 50 30 EHEARN COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)NC(=O)[C@@H]2C#N)cc1 ZINC000006732595 210694902 /nfs/dbraw/zinc/69/49/02/210694902.db2.gz HDJNAOOUCODKIU-DLBZAZTESA-N 0 0 338.794 3.743 50 30 EHEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000005629730 210505276 /nfs/dbraw/zinc/50/52/76/210505276.db2.gz QBAACZFLPHUDDD-SNVBAGLBSA-N 0 0 348.761 3.765 50 30 EHEARN C[C@H](NC(=O)COc1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005108565 210391714 /nfs/dbraw/zinc/39/17/14/210391714.db2.gz AGGJYQFVLIVKKX-OSONQDNFSA-N 0 0 338.451 3.658 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000005128180 210395957 /nfs/dbraw/zinc/39/59/57/210395957.db2.gz BYKMGEQBYKFXLS-RUDMXATFSA-N 0 0 343.335 3.517 50 30 EHEARN COc1cc(C=NNc2ccc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000004991988 210353007 /nfs/dbraw/zinc/35/30/07/210353007.db2.gz KUXUOZXHHLHDSC-VCHYOVAHSA-N 0 0 329.356 3.675 50 30 EHEARN Cc1ccc2[nH]c3c(nc(C)n(/N=C/c4cccc(F)c4)c3=O)c2c1 ZINC000004956960 210339162 /nfs/dbraw/zinc/33/91/62/210339162.db2.gz GZVUQFHJFQETIB-UFFVCSGVSA-N 0 0 334.354 3.516 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000004915043 210322069 /nfs/dbraw/zinc/32/20/69/210322069.db2.gz IUHBGWAPGURWNV-GFCCVEGCSA-N 0 0 337.341 3.952 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(Br)cc1 ZINC000004912414 210320696 /nfs/dbraw/zinc/32/06/96/210320696.db2.gz CFWGBDXZJKAFDJ-GFCCVEGCSA-N 0 0 348.240 3.696 50 30 EHEARN COc1cc(C#N)cc(Br)c1OC(=O)c1ccccc1C ZINC000004827903 210289431 /nfs/dbraw/zinc/28/94/31/210289431.db2.gz SAYTYXHXWUMNPQ-UHFFFAOYSA-N 0 0 346.180 3.857 50 30 EHEARN Cc1ccccc1/C=C\C(=O)c1cc(Br)ccc(=O)c1O ZINC000097474817 219028951 /nfs/dbraw/zinc/02/89/51/219028951.db2.gz NZTKYQUXGHRSRW-VURMDHGXSA-N 0 0 345.192 3.719 50 30 EHEARN CCSC1=N/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)S1 ZINC000004755138 210272438 /nfs/dbraw/zinc/27/24/38/210272438.db2.gz UZYAOGRJGRPFMT-UITAMQMPSA-N 0 0 328.802 3.972 50 30 EHEARN N#CCSCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000120306004 257974660 /nfs/dbraw/zinc/97/46/60/257974660.db2.gz RKCUBOIIKWHXRO-GXTWGEPZSA-N 0 0 342.386 3.714 50 30 EHEARN CC(=O)N(c1ccc(F)cc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000000118935 258047591 /nfs/dbraw/zinc/04/75/91/258047591.db2.gz HWHQKRFIJYFWRT-UHFFFAOYSA-N 0 0 343.741 3.708 50 30 EHEARN O=C(Nc1c[nH]nc1-c1nccs1)N[C@@H]1CCCc2occc21 ZINC000328598369 258041712 /nfs/dbraw/zinc/04/17/12/258041712.db2.gz LWDPTWACZDLAFK-SNVBAGLBSA-N 0 0 329.385 3.530 50 30 EHEARN O=C(Nc1c[nH]nc1-c1nccs1)N1CCC[C@H]1c1cccs1 ZINC000328600512 258042038 /nfs/dbraw/zinc/04/20/38/258042038.db2.gz YCCOBMPRBHNGFI-NSHDSACASA-N 0 0 345.453 3.977 50 30 EHEARN COc1ccc2occ(C(=O)NCCc3nc4ccccc4[nH]3)c2c1 ZINC000328596883 258042443 /nfs/dbraw/zinc/04/24/43/258042443.db2.gz BEJGFLCJNGYZIM-UHFFFAOYSA-N 0 0 335.363 3.865 50 30 EHEARN Cc1cc([C@H](C)NC(=O)c2cc(C)[nH]c(=O)c2[N+](=O)[O-])c(C)s1 ZINC000330032628 258003117 /nfs/dbraw/zinc/00/31/17/258003117.db2.gz PZMCXYCBYSTJEN-VIFPVBQESA-N 0 0 335.385 3.748 50 30 EHEARN CN(CC(=O)NCC#Cc1ccccc1)Cc1csc2ccccc12 ZINC000052806071 258015573 /nfs/dbraw/zinc/01/55/73/258015573.db2.gz INOYBQVZCDEHTQ-UHFFFAOYSA-N 0 0 348.471 3.501 50 30 EHEARN CC(C)(C)C(=O)C=CNc1ccc(I)cc1 ZINC000000464844 258048491 /nfs/dbraw/zinc/04/84/91/258048491.db2.gz OUZQIELNWXTXAR-CMDGGOBGSA-N 0 0 329.181 3.832 50 30 EHEARN Cc1ccc(S(=O)(=O)OCCOc2ccc3ccccc3c2)cc1 ZINC000019872720 258057197 /nfs/dbraw/zinc/05/71/97/258057197.db2.gz GLTFMGPRNOUJHB-UHFFFAOYSA-N 0 0 342.416 3.933 50 30 EHEARN CC(=O)Nc1ccc(-c2csc(N=NCc3ccncc3)n2)cc1 ZINC000031902274 258058495 /nfs/dbraw/zinc/05/84/95/258058495.db2.gz GBPXPPAOHDJOCU-GRSHGNNSSA-N 0 0 337.408 3.610 50 30 EHEARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1 ZINC000257346603 258073685 /nfs/dbraw/zinc/07/36/85/258073685.db2.gz VVSMJVQHDZUPIL-FDVDERPLSA-N 0 0 344.451 3.629 50 30 EHEARN C#CCOC[C@@H]1CCCN(C(=O)Cc2ccc(SC(C)C)cc2)C1 ZINC000049031626 518304562 /nfs/dbraw/zinc/30/45/62/518304562.db2.gz PFTPQCPFFUHHBH-GOSISDBHSA-N 0 0 345.508 3.618 50 30 EHEARN C=CCN(CC=C)C(=O)c1cc(COc2c(C)cccc2C)on1 ZINC000012455408 518766005 /nfs/dbraw/zinc/76/60/05/518766005.db2.gz BIAFCFPTBNJIGK-UHFFFAOYSA-N 0 0 326.396 3.685 50 30 EHEARN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102665 518989577 /nfs/dbraw/zinc/98/95/77/518989577.db2.gz AWXZCEUUJSIWHM-IBGZPJMESA-N 0 0 347.405 3.531 50 30 EHEARN C=CCOc1ccc(-c2nonc2NC(=O)c2cccs2)cc1 ZINC000012408520 519008408 /nfs/dbraw/zinc/00/84/08/519008408.db2.gz FURMHYZQGAYHGS-UHFFFAOYSA-N 0 0 327.365 3.615 50 30 EHEARN C=CCOc1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1 ZINC000012408970 519008792 /nfs/dbraw/zinc/00/87/92/519008792.db2.gz LUEGLBMBJJSWHO-UHFFFAOYSA-N 0 0 339.326 3.693 50 30 EHEARN C=CCOc1ccccc1CN1CCN(c2ccccc2F)CC1 ZINC000055292148 519069993 /nfs/dbraw/zinc/06/99/93/519069993.db2.gz MCABPSGBRIKBNL-UHFFFAOYSA-N 0 0 326.415 3.713 50 30 EHEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1ccncc1 ZINC000003391518 519243192 /nfs/dbraw/zinc/24/31/92/519243192.db2.gz FASXDKMSVUGYLK-UHFFFAOYSA-N 0 0 338.436 3.827 50 30 EHEARN C=CCn1cnn(CN(C)[C@H](C)c2nc3ccccc3s2)c1=S ZINC000024013398 519285446 /nfs/dbraw/zinc/28/54/46/519285446.db2.gz VNXCGTYXFIECTN-GFCCVEGCSA-N 0 0 345.497 3.860 50 30 EHEARN C=CCn1ncc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000055153136 519290942 /nfs/dbraw/zinc/29/09/42/519290942.db2.gz CQBLWBAYIARHFG-FQEVSTJZSA-N 0 0 343.446 3.698 50 30 EHEARN CCCCOc1ccc(C(=O)ONC(=N)c2ccc(Cl)cc2)cc1 ZINC000004832421 520872071 /nfs/dbraw/zinc/87/20/71/520872071.db2.gz RRAXGYYVOPZODV-UHFFFAOYSA-N 0 0 346.814 3.996 50 30 EHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000005254411 521033582 /nfs/dbraw/zinc/03/35/82/521033582.db2.gz IGIOOHFHASRRFP-HJPCULJESA-N 0 0 342.347 3.535 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000006341237 521939156 /nfs/dbraw/zinc/93/91/56/521939156.db2.gz HZGVBHPDDAYTDZ-FNORWQNLSA-N 0 0 328.364 3.617 50 30 EHEARN CCc1nnc(NC(=O)CN2CCC(Cc3ccccc3)CC2)s1 ZINC000020213801 522721267 /nfs/dbraw/zinc/72/12/67/522721267.db2.gz HQFCIGPWYQRDAU-UHFFFAOYSA-N 0 0 344.484 3.643 50 30 EHEARN COc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1cccc(F)c1 ZINC000082097269 523792243 /nfs/dbraw/zinc/79/22/43/523792243.db2.gz UCMMWFWLLLOPRY-UHFFFAOYSA-N 0 0 344.386 3.757 50 30 EHEARN N#CCCN(C(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 ZINC000012563488 526452261 /nfs/dbraw/zinc/45/22/61/526452261.db2.gz FZBOYOMCIBZKHK-UHFFFAOYSA-N 0 0 336.420 3.602 50 30 EHEARN N#CCCN(C(=O)CSc1nc2ccccc2o1)c1ccccc1 ZINC000003618884 526452584 /nfs/dbraw/zinc/45/25/84/526452584.db2.gz MUHUBXKKNUBDMG-UHFFFAOYSA-N 0 0 337.404 3.867 50 30 EHEARN N#CCSCC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000057084632 526478027 /nfs/dbraw/zinc/47/80/27/526478027.db2.gz FASKLDICNLKSIY-OAHLLOKOSA-N 0 0 336.869 3.864 50 30 EHEARN COc1ccccc1N1CCN(/N=C\c2ccc(SC)cc2)CC1 ZINC000005052292 537063044 /nfs/dbraw/zinc/06/30/44/537063044.db2.gz QTJKBAMDCLJOPO-HKWRFOASSA-N 0 0 341.480 3.573 50 30 EHEARN COc1ccccc1N1CCN(/N=C/c2ccc(Cl)cc2)CC1 ZINC000000136621 563240525 /nfs/dbraw/zinc/24/05/25/563240525.db2.gz HZGONGRNPMDJKJ-XSFVSMFZSA-N 0 0 329.831 3.505 50 30 EHEARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c(F)cc(C#N)cc1F ZINC000267965581 563380990 /nfs/dbraw/zinc/38/09/90/563380990.db2.gz JZMAJMDGKLLORX-KRWDZBQOSA-N 0 0 342.345 3.652 50 30 EHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 ZINC000002055422 563420201 /nfs/dbraw/zinc/42/02/01/563420201.db2.gz DWROXDDMRBKBJR-LJQANCHMSA-N 0 0 339.435 3.916 50 30 EHEARN CC1(C)CC2=C(C(=O)C1)[C@@](Nc1ccccc1)(C(F)(F)F)C(=O)O2 ZINC000002428220 563432049 /nfs/dbraw/zinc/43/20/49/563432049.db2.gz FPSAFZHKLNUNBF-INIZCTEOSA-N 0 0 339.313 3.600 50 30 EHEARN C=CCSC1=N/C(=C\c2ccc(OC(=O)CC)cc2)C(=O)S1 ZINC000003000599 563469215 /nfs/dbraw/zinc/46/92/15/563469215.db2.gz WUOXVQVBKXCYPV-RAXLEYEMSA-N 0 0 333.434 3.892 50 30 EHEARN COc1ccc(Br)cc1CN=Nc1nc(C)c(C)s1 ZINC000004550716 563505074 /nfs/dbraw/zinc/50/50/74/563505074.db2.gz LMOSOENCTPUVFC-VIZOYTHASA-N 0 0 340.246 3.977 50 30 EHEARN COc1ccccc1N1CCN(/N=C/C(C)=C/c2ccccc2)CC1 ZINC000005605374 563542559 /nfs/dbraw/zinc/54/25/59/563542559.db2.gz DRDDABBWJWRCMV-YORPJTJESA-N 0 0 335.451 3.907 50 30 EHEARN CCCCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002737071 563607627 /nfs/dbraw/zinc/60/76/27/563607627.db2.gz SZRVNVKLAQYGGT-UHFFFAOYSA-N 0 0 328.434 3.624 50 30 EHEARN N#CCC[C@@H](C#N)CSc1nnc(Nc2ccccc2F)s1 ZINC000012980253 563681349 /nfs/dbraw/zinc/68/13/49/563681349.db2.gz FLVDMBXCQMHSBW-JTQLQIEISA-N 0 0 333.417 3.956 50 30 EHEARN Cc1cc(C)nc(NC(=N)Nc2ccc(OCCC(C)C)cc2)n1 ZINC000013110601 563688189 /nfs/dbraw/zinc/68/81/89/563688189.db2.gz NJRVSPYIBGUOCS-UHFFFAOYSA-N 0 0 327.432 3.577 50 30 EHEARN CCO/N=C(/C)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000013122135 563689003 /nfs/dbraw/zinc/68/90/03/563689003.db2.gz HZNNYOXGMYTDFA-JCMHNJIXSA-N 0 0 348.402 3.971 50 30 EHEARN O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(F)cc1F ZINC000014111047 563741747 /nfs/dbraw/zinc/74/17/47/563741747.db2.gz RHYWERODBPMBBO-UHFFFAOYSA-N 0 0 337.194 3.842 50 30 EHEARN COCc1cc(C)nc(N=NCc2c(C)n(C)c3ccccc32)c1C#N ZINC000015018874 563773558 /nfs/dbraw/zinc/77/35/58/563773558.db2.gz WXSBZDOWABCIAK-JJFYIABZSA-N 0 0 347.422 3.654 50 30 EHEARN O=C(Cc1ccc(F)cc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000032900394 563784927 /nfs/dbraw/zinc/78/49/27/563784927.db2.gz KFRLFTVHEYMVBL-UHFFFAOYSA-N 0 0 335.300 3.555 50 30 EHEARN FC(F)(F)c1ccccc1/C=N\N1CCN(c2ccccc2)CC1 ZINC000015685250 563790585 /nfs/dbraw/zinc/79/05/85/563790585.db2.gz GGOXFMUVLWGXAA-HMAPJEAMSA-N 0 0 333.357 3.862 50 30 EHEARN COc1ccc(/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1 ZINC000018142829 563849382 /nfs/dbraw/zinc/84/93/82/563849382.db2.gz DAIPVTYELRUVRH-UHFFFAOYSA-N 0 0 345.196 3.839 50 30 EHEARN CC(C)c1ccc(-n2c3c(cc(C#N)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000032955191 563898998 /nfs/dbraw/zinc/89/89/98/563898998.db2.gz CDNFZORUDPMHHS-UHFFFAOYSA-N 0 0 334.419 3.988 50 30 EHEARN N#Cc1csc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000177103284 563914831 /nfs/dbraw/zinc/91/48/31/563914831.db2.gz GQWLBJTYFYVEIN-UHFFFAOYSA-N 0 0 348.387 3.519 50 30 EHEARN Cc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@@H](c2ccco2)C3)c1 ZINC000032985473 563920693 /nfs/dbraw/zinc/92/06/93/563920693.db2.gz JBNFPTKJDGKSCC-AWEZNQCLSA-N 0 0 344.370 3.523 50 30 EHEARN N#Cc1c(N)nc(-c2cc(F)c(F)c(F)c2)cc1-c1cccnc1 ZINC000071385596 563933367 /nfs/dbraw/zinc/93/33/67/563933367.db2.gz ZSQZDVYJMYFAMZ-UHFFFAOYSA-N 0 0 326.281 3.682 50 30 EHEARN COc1ccc(C[C@H](C#N)C(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000057523337 563935559 /nfs/dbraw/zinc/93/55/59/563935559.db2.gz FMIPQGVALOTFEB-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN CCc1ccc(CN(CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000059385122 563948839 /nfs/dbraw/zinc/94/88/39/563948839.db2.gz ORKRNCMIKSYPBB-UHFFFAOYSA-N 0 0 339.483 3.556 50 30 EHEARN COc1ccc2nc(C)cc(C(=O)N(CCC#N)Cc3ccco3)c2c1 ZINC000096423635 563951878 /nfs/dbraw/zinc/95/18/78/563951878.db2.gz CTLHLOQFMBCEAO-UHFFFAOYSA-N 0 0 349.390 3.701 50 30 EHEARN N#CC1CCN(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000097100537 563967725 /nfs/dbraw/zinc/96/77/25/563967725.db2.gz WQALJZIHUDGOCB-CYBMUJFWSA-N 0 0 347.287 3.513 50 30 EHEARN COc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000119518645 563970423 /nfs/dbraw/zinc/97/04/23/563970423.db2.gz FVEGFQUXHIHOTP-CYBMUJFWSA-N 0 0 339.782 3.725 50 30 EHEARN COc1c(C)c(/C=C/[C@H](O)CC(=O)/C=C/c2ccccc2)ccc1O ZINC000096034796 563977916 /nfs/dbraw/zinc/97/79/16/563977916.db2.gz KGQDDZPSSRZPLN-LHAYUURESA-N 0 0 338.403 3.756 50 30 EHEARN C[C@H]1Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N\O)C1 ZINC000096247831 563980623 /nfs/dbraw/zinc/98/06/23/563980623.db2.gz XTVNPIPUPOMIEI-XBYRPHLOSA-N 0 0 332.201 3.667 50 30 EHEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1c(F)cccc1Cl ZINC000071767516 563983073 /nfs/dbraw/zinc/98/30/73/563983073.db2.gz ORLPOZOAJXKKPM-UHFFFAOYSA-N 0 0 341.777 3.704 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)o1 ZINC000102718043 563983243 /nfs/dbraw/zinc/98/32/43/563983243.db2.gz LELBOZMHWXZXIT-SFHVURJKSA-N 0 0 343.423 3.755 50 30 EHEARN CCCCCCCC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000408518179 563992901 /nfs/dbraw/zinc/99/29/01/563992901.db2.gz WFNBTHQXVJTIHM-LLVKDONJSA-N 0 0 328.254 3.777 50 30 EHEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCOCC1 ZINC000004980482 563993572 /nfs/dbraw/zinc/99/35/72/563993572.db2.gz DIJCIXSOTRERRM-UHFFFAOYSA-N 0 0 348.450 3.847 50 30 EHEARN O=C(/C=C/c1ccccc1OC(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000005109451 563994406 /nfs/dbraw/zinc/99/44/06/563994406.db2.gz VMWLJDPVTSUKIQ-FNORWQNLSA-N 0 0 345.301 3.515 50 30 EHEARN Cc1ccc(C2=NN/C(=N\c3ccccc3F)SC2)cc1[N+](=O)[O-] ZINC000005157824 563995234 /nfs/dbraw/zinc/99/52/34/563995234.db2.gz YCMLKLYGEGVQKB-UHFFFAOYSA-N 0 0 344.371 3.771 50 30 EHEARN CO/N=C\[C@H](/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000005209540 564000668 /nfs/dbraw/zinc/00/06/68/564000668.db2.gz LQCPZAOEDBBJRU-KTAWWIHPSA-N 0 0 349.839 3.828 50 30 EHEARN N#Cc1nc(-c2cccs2)oc1N1CCN(c2ccccc2)CC1 ZINC000000467620 564003131 /nfs/dbraw/zinc/00/31/31/564003131.db2.gz BXTXCZOPIMGXKE-UHFFFAOYSA-N 0 0 336.420 3.601 50 30 EHEARN Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000034367100 564005339 /nfs/dbraw/zinc/00/53/39/564005339.db2.gz PWTAJCXUVVXLSP-KHZSXKRLSA-N 0 0 337.448 3.849 50 30 EHEARN N#CC1(NC(=O)CSc2nc3ccccc3s2)CCCCC1 ZINC000005629330 564006736 /nfs/dbraw/zinc/00/67/36/564006736.db2.gz LFFNNHRSPMGYAS-UHFFFAOYSA-N 0 0 331.466 3.731 50 30 EHEARN CC1(C)CC(=O)C(=CNc2c3c(nn2-c2ccccc2)CCC3)C(=O)C1 ZINC000101443129 564019444 /nfs/dbraw/zinc/01/94/44/564019444.db2.gz DCGGYWWTAIQDBS-UHFFFAOYSA-N 0 0 349.434 3.615 50 30 EHEARN N#C[C@]1(c2ccc(Br)cc2)CCC(=O)N1c1ccccc1 ZINC000000527993 564021299 /nfs/dbraw/zinc/02/12/99/564021299.db2.gz PTOZHWZNCNEUES-KRWDZBQOSA-N 0 0 341.208 3.995 50 30 EHEARN O=S(=O)(CCc1ccccc1)/N=C\c1ccc(Cl)cc1Cl ZINC000103725899 564023089 /nfs/dbraw/zinc/02/30/89/564023089.db2.gz CHPVKNBTCSMZSU-WQRHYEAKSA-N 0 0 342.247 3.985 50 30 EHEARN C/N=C1\S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1C ZINC000103701131 564023132 /nfs/dbraw/zinc/02/31/32/564023132.db2.gz VQRHQACSFSCVHK-IAKJMAAOSA-N 0 0 334.347 3.757 50 30 EHEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccccc2C)S1)c1ccccc1 ZINC000005756191 564029090 /nfs/dbraw/zinc/02/90/90/564029090.db2.gz KMJBWWOBPAHOSF-AQRZYSDFSA-N 0 0 337.448 3.549 50 30 EHEARN N#CCCN(C(=O)CN1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000046089323 564029565 /nfs/dbraw/zinc/02/95/65/564029565.db2.gz YQBITHXWBDFQKJ-GOSISDBHSA-N 0 0 339.464 3.832 50 30 EHEARN Cc1cccc(NC(=NC(=O)c2ccccc2)NCc2ccccn2)c1 ZINC000046125837 564029606 /nfs/dbraw/zinc/02/96/06/564029606.db2.gz FRFBRPVJEWWEBH-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000048236077 564030173 /nfs/dbraw/zinc/03/01/73/564030173.db2.gz LVLWJMFLBVLYBA-LLVKDONJSA-N 0 0 336.351 3.524 50 30 EHEARN COC[C@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000113570113 564032850 /nfs/dbraw/zinc/03/28/50/564032850.db2.gz ITXDUSGQRNASAI-CABCVRRESA-N 0 0 347.484 3.829 50 30 EHEARN N#Cc1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCC2 ZINC000000782901 564034210 /nfs/dbraw/zinc/03/42/10/564034210.db2.gz OLZQGHNZPIOOAM-UHFFFAOYSA-N 0 0 332.812 3.779 50 30 EHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cccc(F)c2)NC(=O)N1 ZINC000005787917 564052136 /nfs/dbraw/zinc/05/21/36/564052136.db2.gz BIGADVLLPZSLNZ-MRXNPFEDSA-N 0 0 344.773 3.990 50 30 EHEARN Cc1cc(N(C)Cc2ccncc2)n2c3ccccc3nc2c1C#N ZINC000012581411 564060065 /nfs/dbraw/zinc/06/00/65/564060065.db2.gz QKRYPBPFHDAJMC-UHFFFAOYSA-N 0 0 327.391 3.699 50 30 EHEARN CCN(CC)c1nc(-c2ccccn2)nc(-c2ccccc2)c1C#N ZINC000001393438 564064637 /nfs/dbraw/zinc/06/46/37/564064637.db2.gz SKEPZBWZVMRFSJ-UHFFFAOYSA-N 0 0 329.407 3.923 50 30 EHEARN C=C(C)CN(CC)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000058314210 564065262 /nfs/dbraw/zinc/06/52/62/564065262.db2.gz QIEXXVYQSRGAMU-GASCZTMLSA-N 0 0 349.450 3.869 50 30 EHEARN C#Cc1ccc(-c2c(-c3ccccc3)ncn2CCC(=O)OC)cc1 ZINC000065393598 564066775 /nfs/dbraw/zinc/06/67/75/564066775.db2.gz BBWQDVOWGRMOCP-UHFFFAOYSA-N 0 0 330.387 3.762 50 30 EHEARN N#Cc1ccsc1NC(=O)c1ccc(Br)cc1F ZINC000015605485 564069308 /nfs/dbraw/zinc/06/93/08/564069308.db2.gz NMPFSVSWZKIADS-UHFFFAOYSA-N 0 0 325.162 3.774 50 30 EHEARN C=C(C)CSc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1 ZINC000006098509 564070704 /nfs/dbraw/zinc/07/07/04/564070704.db2.gz ZQRKLNCQBODAGR-UHFFFAOYSA-N 0 0 348.431 3.702 50 30 EHEARN COc1ccc2c(c1)OCC/C2=N\OC(=O)c1ccc(Cl)cc1 ZINC000015745695 564073044 /nfs/dbraw/zinc/07/30/44/564073044.db2.gz JYRXCTIYXLORQU-XDJHFCHBSA-N 0 0 331.755 3.692 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S ZINC000001005478 564074657 /nfs/dbraw/zinc/07/46/57/564074657.db2.gz KSZLXIRJXYCNEC-NTCAYCPXSA-N 0 0 332.494 3.920 50 30 EHEARN Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1-c1nccs1 ZINC000012858032 564075582 /nfs/dbraw/zinc/07/55/82/564075582.db2.gz NJWIAMOHNCOWOR-UHFFFAOYSA-N 0 0 337.404 3.684 50 30 EHEARN C=CCn1c(=O)sc2cc(NC(=O)Cc3cccc(F)c3)ccc21 ZINC000015865098 564077176 /nfs/dbraw/zinc/07/71/76/564077176.db2.gz ZNOPIGOZCXLZGZ-UHFFFAOYSA-N 0 0 342.395 3.569 50 30 EHEARN CCN(C(=O)COc1[nH]c2ccccc2c1C#N)C1CCCCC1 ZINC000075092358 564079895 /nfs/dbraw/zinc/07/98/95/564079895.db2.gz NFTDZHZLOQDVPK-UHFFFAOYSA-N 0 0 325.412 3.600 50 30 EHEARN CCOc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000135756 564082493 /nfs/dbraw/zinc/08/24/93/564082493.db2.gz CZTBTECYXFUJLN-UHFFFAOYSA-N 0 0 343.858 3.895 50 30 EHEARN COc1ccc2c(c1)ncc(C#N)c2Nc1cc(OC)ccc1OC ZINC000064438700 564091304 /nfs/dbraw/zinc/09/13/04/564091304.db2.gz LNKYFFQNBODKNQ-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN C[C@@H](Sc1ncnc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000006579175 564092238 /nfs/dbraw/zinc/09/22/38/564092238.db2.gz VGFYMDMTGCWKRK-GFCCVEGCSA-N 0 0 334.404 3.621 50 30 EHEARN C[C@H](C#N)Sc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000006993194 564102724 /nfs/dbraw/zinc/10/27/24/564102724.db2.gz IQUVTRZJJWAVML-GFCCVEGCSA-N 0 0 326.450 3.924 50 30 EHEARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)CNc2ccc(OCC)cc2)C1 ZINC000013138378 564103645 /nfs/dbraw/zinc/10/36/45/564103645.db2.gz XDWWVBAOSPJCAM-INIZCTEOSA-N 0 0 341.455 3.902 50 30 aggregator EHEARN COc1cc(/C=N\NC(=N)SC)ccc1OCc1ccccc1F ZINC000170623505 564110416 /nfs/dbraw/zinc/11/04/16/564110416.db2.gz BLOBNXHDTOHMJF-JMIUGGIZSA-N 0 0 347.415 3.635 50 30 EHEARN Fc1ccccc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000005998097 564112982 /nfs/dbraw/zinc/11/29/82/564112982.db2.gz UDTIYEIXMCGNIV-GIJQJNRQSA-N 0 0 332.791 3.909 50 30 EHEARN CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC000076092019 564115670 /nfs/dbraw/zinc/11/56/70/564115670.db2.gz UDUUMWILNLLCOR-IAGOWNOFSA-N 0 0 327.428 3.808 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1OC ZINC000007720470 564117565 /nfs/dbraw/zinc/11/75/65/564117565.db2.gz SJDHCFIOBNRYNK-UHFFFAOYSA-N 0 0 349.390 3.574 50 30 EHEARN COc1cc(C=Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)=O ZINC000252462929 564118757 /nfs/dbraw/zinc/11/87/57/564118757.db2.gz XNGPSYWPKQVWHF-UHFFFAOYSA-N 0 0 328.324 3.588 50 30 EHEARN COc1ccc(CS(=O)(=O)[C@H]2CCCc3ccccc32)cc1C#N ZINC000161180711 564118801 /nfs/dbraw/zinc/11/88/01/564118801.db2.gz ZDNZUPLEBTUBGS-IBGZPJMESA-N 0 0 341.432 3.559 50 30 EHEARN CN(C)C(=O)c1ccc(Cl)cc1NCCCC1(C#N)CCOCC1 ZINC000252482747 564119265 /nfs/dbraw/zinc/11/92/65/564119265.db2.gz DMWAJGRMAIQJCJ-UHFFFAOYSA-N 0 0 349.862 3.554 50 30 EHEARN CC#CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000252500445 564119825 /nfs/dbraw/zinc/11/98/25/564119825.db2.gz SVTPEIVJBQVRHJ-SNVBAGLBSA-N 0 0 349.253 3.773 50 30 EHEARN CC1(C)CCc2ccccc2[C@@H](NC(=O)C2(C#N)CCOCC2)C1 ZINC000252508315 564119986 /nfs/dbraw/zinc/11/99/86/564119986.db2.gz XJTRRNJPYHITRJ-KRWDZBQOSA-N 0 0 326.440 3.527 50 30 EHEARN CC(=CCc1ccco1)N=Nc1nnc2c3cccc(C)c3[nH]c2n1 ZINC000252600013 564121178 /nfs/dbraw/zinc/12/11/78/564121178.db2.gz DODDGSVLMJPKOV-PNMWXHOKSA-N 0 0 332.367 3.909 50 30 EHEARN N#C[C@H](C(=O)Nc1cccnc1)c1nc2cc(Cl)ccc2s1 ZINC000161423135 564130673 /nfs/dbraw/zinc/13/06/73/564130673.db2.gz PLHJCIZLKKOMCK-LLVKDONJSA-N 0 0 328.784 3.591 50 30 EHEARN N#Cc1ccc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cn1 ZINC000253426010 564131113 /nfs/dbraw/zinc/13/11/13/564131113.db2.gz KYWBYJVHMJKRDA-INIZCTEOSA-N 0 0 333.313 3.550 50 30 EHEARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2NCC#N ZINC000253500117 564132827 /nfs/dbraw/zinc/13/28/27/564132827.db2.gz WWGMIWNOEKZCJH-LRHPIFBUSA-N 0 0 330.516 3.872 50 30 biogenic EHEARN COc1cc(C#N)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000000471143 564133324 /nfs/dbraw/zinc/13/33/24/564133324.db2.gz WINKGKQAJNURAF-UHFFFAOYSA-N 0 0 341.754 3.849 50 30 EHEARN Cc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc1C ZINC000000556263 564133396 /nfs/dbraw/zinc/13/33/96/564133396.db2.gz YBIKAVYANQLXEK-UHFFFAOYSA-N 0 0 333.391 3.676 50 30 EHEARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000000621147 564133509 /nfs/dbraw/zinc/13/35/09/564133509.db2.gz YMEUUXKHBBNQFI-NSHDSACASA-N 0 0 345.196 3.727 50 30 EHEARN N#Cc1ccccc1CC(=O)c1ccc(I)cc1 ZINC000002393045 564134457 /nfs/dbraw/zinc/13/44/57/564134457.db2.gz GJPNRYMLKWTMLR-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012804660 564135574 /nfs/dbraw/zinc/13/55/74/564135574.db2.gz LMYDOHBFYACBNT-SFHVURJKSA-N 0 0 348.402 3.697 50 30 EHEARN N#Cc1ccc(Oc2ccccc2N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000018247120 564136375 /nfs/dbraw/zinc/13/63/75/564136375.db2.gz LKAJSEKDBIYPOW-CALCHBBNSA-N 0 0 344.370 3.806 50 30 EHEARN CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000328587638 564136559 /nfs/dbraw/zinc/13/65/59/564136559.db2.gz DPQYJCXWXZJGJQ-CVEARBPZSA-N 0 0 332.400 3.626 50 30 EHEARN COc1ccc(-c2ccc(NC(=O)c3ccnnc3)nc2)cc1Cl ZINC000328588372 564136609 /nfs/dbraw/zinc/13/66/09/564136609.db2.gz DFGSWTFZTJRCLV-UHFFFAOYSA-N 0 0 340.770 3.837 50 30 EHEARN Cc1cc(OCCCC(=O)N[C@](C)(C#N)CN(C)C)ccc1Cl ZINC000328595061 564136796 /nfs/dbraw/zinc/13/67/96/564136796.db2.gz JSCQVGWEBBAUML-QGZVFWFLSA-N 0 0 337.851 3.608 50 30 EHEARN COc1nc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc2ccccc21 ZINC000390833787 564138856 /nfs/dbraw/zinc/13/88/56/564138856.db2.gz NBKIKMHJDFQSCD-AWEZNQCLSA-N 0 0 342.358 3.610 50 30 EHEARN C=CCN(Cc1cccs1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000095347359 564139241 /nfs/dbraw/zinc/13/92/41/564139241.db2.gz GAAGHRZNVLZAGW-UHFFFAOYSA-N 0 0 345.855 3.598 50 30 EHEARN COc1ccc(C(=O)Nc2ccccc2SCCC#N)c(OC)c1 ZINC000095953412 564142375 /nfs/dbraw/zinc/14/23/75/564142375.db2.gz DCYQGAQDMWYVDP-UHFFFAOYSA-N 0 0 342.420 3.962 50 30 EHEARN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cc(C#N)ccc2C)no1 ZINC000095999606 564144355 /nfs/dbraw/zinc/14/43/55/564144355.db2.gz PGYZWGAIVLIYNR-INIZCTEOSA-N 0 0 339.399 3.707 50 30 EHEARN Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC(C#N)CC1 ZINC000096010731 564144691 /nfs/dbraw/zinc/14/46/91/564144691.db2.gz PSQRITQYBZYSPH-UHFFFAOYSA-N 0 0 326.425 3.886 50 30 EHEARN COc1cc(C#N)ccc1OCc1ccn(-c2c(F)cccc2F)n1 ZINC000161740747 564149872 /nfs/dbraw/zinc/14/98/72/564149872.db2.gz ABWKEHMBYGJOGC-UHFFFAOYSA-N 0 0 341.317 3.610 50 30 EHEARN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)C1(C#N)CCOCC1 ZINC000131434346 564151060 /nfs/dbraw/zinc/15/10/60/564151060.db2.gz XIHQWQXUHWNARW-MRXNPFEDSA-N 0 0 346.496 3.611 50 30 EHEARN COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000002763683 564152505 /nfs/dbraw/zinc/15/25/05/564152505.db2.gz VKJHDLUDPRMNCE-UHFFFAOYSA-N 0 0 326.421 3.688 50 30 EHEARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(CC#N)nc4c23)C1 ZINC000002798190 564152706 /nfs/dbraw/zinc/15/27/06/564152706.db2.gz LJVXWSVCHJCBDA-SNVBAGLBSA-N 0 0 325.441 3.556 50 30 EHEARN O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)O2 ZINC000003087882 564155076 /nfs/dbraw/zinc/15/50/76/564155076.db2.gz YLDQEGUWNAVSLN-UHFFFAOYSA-N 0 0 339.347 3.723 50 30 EHEARN Cc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000003220524 564156146 /nfs/dbraw/zinc/15/61/46/564156146.db2.gz NBYKNQOWULUWDS-UHFFFAOYSA-N 0 0 343.346 3.686 50 30 EHEARN CCN(C(=O)NCc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000058007118 564157077 /nfs/dbraw/zinc/15/70/77/564157077.db2.gz SKEJEMAQMHRHSA-OAHLLOKOSA-N 0 0 337.423 3.860 50 30 EHEARN C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCCC1 ZINC000058160173 564157814 /nfs/dbraw/zinc/15/78/14/564157814.db2.gz KMBYLCHZXAZMCJ-HNNXBMFYSA-N 0 0 335.407 3.773 50 30 EHEARN N#Cc1ccc(NC(=O)Nc2ccc(NC3CCOCC3)cc2)cc1 ZINC000058230458 564158122 /nfs/dbraw/zinc/15/81/22/564158122.db2.gz SUSBLVBUQBHWCT-UHFFFAOYSA-N 0 0 336.395 3.793 50 30 EHEARN CCOc1ccc(C#N)cc1NCc1nc(-c2cccs2)no1 ZINC000058440670 564159099 /nfs/dbraw/zinc/15/90/99/564159099.db2.gz KOXZZYGMCYSNJJ-UHFFFAOYSA-N 0 0 326.381 3.681 50 30 EHEARN CCN(C[C@H](C)C#N)Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000058438184 564159127 /nfs/dbraw/zinc/15/91/27/564159127.db2.gz XPOBHROKRKUGSU-SECBINFHSA-N 0 0 344.271 3.611 50 30 EHEARN COc1cc(C#N)ccc1OCc1cc(Cl)c2c(c1)OCCO2 ZINC000007982166 564161739 /nfs/dbraw/zinc/16/17/39/564161739.db2.gz SJNMODOHRRZFMB-UHFFFAOYSA-N 0 0 331.755 3.570 50 30 EHEARN COc1cc(C(=O)OCc2ccccc2C#N)ccc1OCC(C)C ZINC000007982181 564161757 /nfs/dbraw/zinc/16/17/57/564161757.db2.gz JDAWDSSBSBAIEQ-UHFFFAOYSA-N 0 0 339.391 3.959 50 30 EHEARN N#Cc1cccc(CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000069589453 564170757 /nfs/dbraw/zinc/17/07/57/564170757.db2.gz QWKGMGBIRCCRPV-UHFFFAOYSA-N 0 0 339.338 3.692 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCOCC1CC1 ZINC000069813079 564172335 /nfs/dbraw/zinc/17/23/35/564172335.db2.gz MGQOWBDBRIDIEF-AWEZNQCLSA-N 0 0 347.484 3.877 50 30 EHEARN C=CCO[C@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071803631 564175523 /nfs/dbraw/zinc/17/55/23/564175523.db2.gz DMMWVRGGFQXXCC-MNOVXSKESA-N 0 0 348.374 3.856 50 30 EHEARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc(C#N)c1 ZINC000024191137 568416508 /nfs/dbraw/zinc/41/65/08/568416508.db2.gz CENBQVRNZPISPO-UHFFFAOYSA-N 0 0 333.435 3.821 50 30 EHEARN N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000048363715 568417963 /nfs/dbraw/zinc/41/79/63/568417963.db2.gz OAVPTHBJFWNPSS-UHFFFAOYSA-N 0 0 332.359 3.660 50 30 EHEARN Cc1cccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)c1 ZINC000000351794 568422626 /nfs/dbraw/zinc/42/26/26/568422626.db2.gz WYEHOJXMIVEICA-UHFFFAOYSA-N 0 0 344.418 3.848 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cnc3cc(C)ccn23)cc1NC(C)=O ZINC000078876739 1016583286 /nfs/dbraw/zinc/58/32/86/1016583286.db2.gz YXRDDZPXWMHUGN-AATRIKPKSA-N 0 0 349.390 3.506 50 30 EHEARN CCOC(=O)c1c(C)n(-c2ccccc2)c2c1/C(=N/N)c1ccccc1-2 ZINC000022017166 1017295969 /nfs/dbraw/zinc/29/59/69/1017295969.db2.gz HYUGYCCBVUDAOU-FCDQGJHFSA-N 0 0 345.402 3.654 50 30 EHEARN Cc1c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000096973244 1021643357 /nfs/dbraw/zinc/64/33/57/1021643357.db2.gz ZRIAXDNAXJPYHL-KHPPLWFESA-N 0 0 333.347 3.985 50 30 EHEARN CNc1ccc(/C=C2\CCc3cc(OC)ccc3C2=O)cc1[N+](=O)[O-] ZINC000013135247 1034760767 /nfs/dbraw/zinc/76/07/67/1034760767.db2.gz ALRRGEWKCXOMRI-NTEUORMPSA-N 0 0 338.363 3.858 50 30 EHEARN C#Cc1cccc(NC(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000096942675 1039593431 /nfs/dbraw/zinc/59/34/31/1039593431.db2.gz UOMXIUFYTWIXGW-SREVYHEPSA-N 0 0 339.778 3.744 50 30 EHEARN COc1ccc(C=Nc2nc3ccccc3nc2N2CCCC2)cc1 ZINC000254492888 1040114860 /nfs/dbraw/zinc/11/48/60/1040114860.db2.gz MFWZHHHVZXQBKS-UHFFFAOYSA-N 0 0 332.407 3.989 50 30 EHEARN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000329841905 1040775027 /nfs/dbraw/zinc/77/50/27/1040775027.db2.gz KFKQYOLLTIXUCK-CJNGLKHVSA-N 0 0 328.416 3.665 50 30 EHEARN CC(=NOCCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000254765409 1041233680 /nfs/dbraw/zinc/23/36/80/1041233680.db2.gz LYNNPUOZTIZFPG-UHFFFAOYSA-N 0 0 347.798 3.931 50 30 EHEARN CC(=NOCc1ccc(-n2cccn2)cc1)c1sc(C)nc1C ZINC000254806439 1041250520 /nfs/dbraw/zinc/25/05/20/1041250520.db2.gz SDPXGFBQRURUNZ-UHFFFAOYSA-N 0 0 326.425 3.886 50 30 EHEARN N#CC1(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)CCCC1 ZINC000888099720 1043256934 /nfs/dbraw/zinc/25/69/34/1043256934.db2.gz NKUOVHIOUXUNDE-UHFFFAOYSA-N 0 0 331.379 3.647 50 30 EHEARN C[C@@H](NCc1ccc(F)c(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000185410110 1126884195 /nfs/dbraw/zinc/88/41/95/1126884195.db2.gz NEMRMQWWVTZEPU-CYBMUJFWSA-N 0 0 336.370 3.522 50 30 EHEARN C=C(C)C[C@@H](C)C(=O)N1CC2(CC(OC)(OC)C2)[C@H]1c1ccccc1 ZINC000585126805 1137017090 /nfs/dbraw/zinc/01/70/90/1137017090.db2.gz IWIHATZPFSFCRG-SJLPKXTDSA-N 0 0 343.467 3.942 50 30 EHEARN C#CCCC1(CCC(=O)NCc2ccccc2N2CCCCC2)N=N1 ZINC000952879938 1137483269 /nfs/dbraw/zinc/48/32/69/1137483269.db2.gz AVMPNXMNYQRNHU-UHFFFAOYSA-N 0 0 338.455 3.649 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000004719737 210258070 /nfs/dbraw/zinc/25/80/70/210258070.db2.gz WQDAYAKSSKFTJG-KRWDZBQOSA-N 0 0 345.826 3.871 50 30 EHEARN CN(Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)cc1F ZINC000053906635 214204825 /nfs/dbraw/zinc/20/48/25/214204825.db2.gz ANPWREVHLJCQRQ-UHFFFAOYSA-N 0 0 334.398 3.574 50 30 EHEARN CC(C)=NNC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000097951116 219064376 /nfs/dbraw/zinc/06/43/76/219064376.db2.gz FUXFTLKMIGPEQM-QMMMGPOBSA-N 0 0 346.149 3.533 50 30 EHEARN N#Cc1ccccc1/C=C\C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000098054720 219074287 /nfs/dbraw/zinc/07/42/87/219074287.db2.gz LFRCTMLUQCXNLB-KTKRTIGZSA-N 0 0 347.418 3.604 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000004488884 210202464 /nfs/dbraw/zinc/20/24/64/210202464.db2.gz QYSMMCIFFRYKHJ-GFCCVEGCSA-N 0 0 337.341 3.952 50 30 EHEARN CS/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000100492780 219100716 /nfs/dbraw/zinc/10/07/16/219100716.db2.gz VGDZMTPRYSCKAG-PEZBUJJGSA-N 0 0 325.842 3.839 50 30 EHEARN Cc1sc(/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)c(C#N)c1C ZINC000004359632 210180789 /nfs/dbraw/zinc/18/07/89/210180789.db2.gz LXYXBJWVLXHCGJ-GIJQJNRQSA-N 0 0 328.397 3.961 50 30 EHEARN COc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000004178183 210140592 /nfs/dbraw/zinc/14/05/92/210140592.db2.gz ANKRHSMJCPIKKV-LZYBPNLTSA-N 0 0 335.703 3.916 50 30 EHEARN C=CCCC(=O)Nc1nc(-c2ccc([C@H](C)NC(C)=O)cc2)cs1 ZINC000065489170 214929122 /nfs/dbraw/zinc/92/91/22/214929122.db2.gz HBYFRIARDNIDBG-LBPRGKRZSA-N 0 0 343.452 3.912 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004083807 210116429 /nfs/dbraw/zinc/11/64/29/210116429.db2.gz MSGQPOBWYUXEOQ-BIFBXPJCSA-N 0 0 332.484 3.727 50 30 biogenic EHEARN COc1ccccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000004069850 210112169 /nfs/dbraw/zinc/11/21/69/210112169.db2.gz DIUZVRVUQBOURX-UHFFFAOYSA-N 0 0 335.388 3.943 50 30 EHEARN Cc1cccc(NN=C2c3cc(Br)ccc3NC2=O)c1C ZINC000003909287 210091541 /nfs/dbraw/zinc/09/15/41/210091541.db2.gz KQXIARUZGMTAGR-UHFFFAOYSA-N 0 0 344.212 3.834 50 30 EHEARN CCn1c2ccccc2c2nnc(N=NC(C)c3ccc(O)cc3)nc21 ZINC000003899202 210087207 /nfs/dbraw/zinc/08/72/07/210087207.db2.gz JUUPJRUSRNHQSY-MTJSOVHGSA-N 0 0 346.394 3.541 50 30 EHEARN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000003894902 210086521 /nfs/dbraw/zinc/08/65/21/210086521.db2.gz ZRSKZWIXAGMHOK-XSFVSMFZSA-N 0 0 346.496 3.866 50 30 EHEARN C=CCn1c(C)nnc1SCc1nc2cc(F)ccc2n1CC ZINC000066256244 215028538 /nfs/dbraw/zinc/02/85/38/215028538.db2.gz XZYNXZGVOWGQAA-UHFFFAOYSA-N 0 0 331.420 3.574 50 30 EHEARN CSc1cc(C(=O)COc2cccc(C#N)c2)ccc1NC(C)=O ZINC000043241997 213569500 /nfs/dbraw/zinc/56/95/00/213569500.db2.gz YQXSQFDPSCVQAC-UHFFFAOYSA-N 0 0 340.404 3.500 50 30 EHEARN Cn1ccc(-c2cc(-c3c[nH]nc3-c3ccccc3)c(C#N)c(N)n2)c1 ZINC000067713751 215192944 /nfs/dbraw/zinc/19/29/44/215192944.db2.gz FSDZRZHEENLPBD-UHFFFAOYSA-N 0 0 340.390 3.598 50 30 EHEARN CC(C)c1cc(C2CCN(C(=O)c3cc(F)cc(C#N)c3)CC2)[nH]n1 ZINC000067805035 215217032 /nfs/dbraw/zinc/21/70/32/215217032.db2.gz DCKSKVVZBPVKPT-UHFFFAOYSA-N 0 0 340.402 3.564 50 30 EHEARN C=C(C)Cn1c2sc(C)c(C)c2c2nc(-c3ccco3)nn2c1=O ZINC000032103920 212790163 /nfs/dbraw/zinc/79/01/63/212790163.db2.gz ZHFRNMAPNKGRIO-UHFFFAOYSA-N 0 0 340.408 3.559 50 30 EHEARN CCn1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000072135224 216023626 /nfs/dbraw/zinc/02/36/26/216023626.db2.gz INRPXWLANPAENW-GOSISDBHSA-N 0 0 347.422 3.767 50 30 EHEARN CC(=O)C1(c2ccccc2)CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000072150638 216038280 /nfs/dbraw/zinc/03/82/80/216038280.db2.gz FWTIERGHGXJOHL-UHFFFAOYSA-N 0 0 347.418 3.713 50 30 EHEARN O=c1[nH]ncc(NN=Cc2cccc3ccccc23)c1Br ZINC000031858807 212752447 /nfs/dbraw/zinc/75/24/47/212752447.db2.gz CYQLYOBDLQYPBO-IUXPMGMMSA-N 0 0 343.184 3.544 50 30 EHEARN C=CCOc1cc(C(=O)Nc2c(C)nn(C)c2C)cc2occc21 ZINC000072240213 216079273 /nfs/dbraw/zinc/07/92/73/216079273.db2.gz HHAUGPYVESMTAH-UHFFFAOYSA-N 0 0 325.368 3.600 50 30 EHEARN CCc1csc([C@H]2CCCN(C(=O)C3(C#N)CCCCC3)C2)n1 ZINC000072282135 216111381 /nfs/dbraw/zinc/11/13/81/216111381.db2.gz QIYYGYDXYMKORI-AWEZNQCLSA-N 0 0 331.485 3.886 50 30 EHEARN COc1ccc(NC=C2C(=O)CC(c3cccs3)CC2=O)cc1 ZINC000000149251 209453157 /nfs/dbraw/zinc/45/31/57/209453157.db2.gz QTRYLHXJLQVKFI-UHFFFAOYSA-N 0 0 327.405 3.768 50 30 EHEARN CN(C)/C=C/C(=O)c1nnn(C2CCCCC2)c1NC1CCCCC1 ZINC000000055350 209393572 /nfs/dbraw/zinc/39/35/72/209393572.db2.gz HRAMTWPDMUYPFA-BUHFOSPRSA-N 0 0 345.491 3.786 50 30 EHEARN CN(Cc1ccc(C#N)cc1)C(=O)c1csc(Br)c1 ZINC000025120459 212460199 /nfs/dbraw/zinc/46/01/99/212460199.db2.gz HDWCFOWSUMGXNZ-UHFFFAOYSA-N 0 0 335.226 3.654 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000023485061 212379528 /nfs/dbraw/zinc/37/95/28/212379528.db2.gz FVSYDJLVACZPLK-SGIREYDYSA-N 0 0 331.485 3.603 50 30 EHEARN COc1cccc([C@@H](Nc2cccc(F)c2C#N)c2nccn2C)c1 ZINC000022262998 212286121 /nfs/dbraw/zinc/28/61/21/212286121.db2.gz FKDUCZHXTBKZEK-GOSISDBHSA-N 0 0 336.370 3.641 50 30 EHEARN COc1cc(/C=C2\Cc3c(cccc3O)C2=O)ccc1OC(F)F ZINC000022135248 212279254 /nfs/dbraw/zinc/27/92/54/212279254.db2.gz TZUUJZTYDIIKDC-YRNVUSSQSA-N 0 0 332.302 3.825 50 30 EHEARN Cc1cc(Br)cc(C(=O)Nc2nn(C(C)C)cc2C#N)c1 ZINC000133188943 223394818 /nfs/dbraw/zinc/39/48/18/223394818.db2.gz SWSKHPAJQJCAHA-UHFFFAOYSA-N 0 0 347.216 3.659 50 30 EHEARN CC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C ZINC000020385979 212124458 /nfs/dbraw/zinc/12/44/58/212124458.db2.gz CQTNLKNNUSTTPN-UHFFFAOYSA-N 0 0 332.363 3.731 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(Cl)c([N+](=O)[O-])c1)CCCC2 ZINC000020323880 212119441 /nfs/dbraw/zinc/11/94/41/212119441.db2.gz AGKIOWKTMOCIHT-UHFFFAOYSA-N 0 0 328.759 3.643 50 30 EHEARN Cc1ccsc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019773043 212064854 /nfs/dbraw/zinc/06/48/54/212064854.db2.gz BNHFDBNCDAQCFH-XDHOZWIPSA-N 0 0 333.888 3.862 50 30 EHEARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000015829344 211856085 /nfs/dbraw/zinc/85/60/85/211856085.db2.gz AGVQQKMVOQSROJ-SFHVURJKSA-N 0 0 336.391 3.553 50 30 EHEARN C=CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000012385439 211364916 /nfs/dbraw/zinc/36/49/16/211364916.db2.gz CUHFXSZADLSKFS-INIZCTEOSA-N 0 0 327.403 3.717 50 30 EHEARN C=CC[C@]1(CO)CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 ZINC000091625160 218034054 /nfs/dbraw/zinc/03/40/54/218034054.db2.gz KFQBEPXPUWTHKB-KRWDZBQOSA-N 0 0 325.811 3.578 50 30 EHEARN FC(F)(F)c1ccc(C=NN2C(=S)N=NC2c2ccccn2)cc1 ZINC000009317102 211066855 /nfs/dbraw/zinc/06/68/55/211066855.db2.gz PJLOOBDOIWPPCH-AWQFTUOYSA-N 0 0 349.341 3.530 50 30 EHEARN Cc1nc2sc3c(c2c(N(C)Cc2cccc(C#N)c2)n1)CCC3 ZINC000095349496 218283717 /nfs/dbraw/zinc/28/37/17/218283717.db2.gz QKYXBNRHUYVQQE-UHFFFAOYSA-N 0 0 334.448 3.997 50 30 EHEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccncc2)cc1 ZINC000009088127 211039405 /nfs/dbraw/zinc/03/94/05/211039405.db2.gz ZDCUWFOHNUDXCK-UDWIEESQSA-N 0 0 337.452 3.809 50 30 EHEARN CSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)CC(C)(C)CC1=N2 ZINC000008914697 211017358 /nfs/dbraw/zinc/01/73/58/211017358.db2.gz WTDDKFMWBRNPNW-CYBMUJFWSA-N 0 0 346.481 3.720 50 30 EHEARN C[C@H](c1ccccc1)N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000008844121 211010566 /nfs/dbraw/zinc/01/05/66/211010566.db2.gz ZOFFJBGAOFKFSD-GFCCVEGCSA-N 0 0 335.432 3.570 50 30 EHEARN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ncoc1-c1ccco1 ZINC000095431823 218373306 /nfs/dbraw/zinc/37/33/06/218373306.db2.gz UXOYMLLCMLWQHA-IBGZPJMESA-N 0 0 335.363 3.579 50 30 EHEARN C=CCC[C@H](NC(=O)Nc1cn(C)c(=O)cc1C)c1ccccc1 ZINC000095975646 218480673 /nfs/dbraw/zinc/48/06/73/218480673.db2.gz KILICCQXKRPQCB-INIZCTEOSA-N 0 0 325.412 3.523 50 30 EHEARN CCN(CC)C(=O)c1sc(NC(=O)C2CCCC2)c(C#N)c1C ZINC000006046258 210581234 /nfs/dbraw/zinc/58/12/34/210581234.db2.gz LKXBZNRLQRJITA-UHFFFAOYSA-N 0 0 333.457 3.539 50 30 EHEARN C/C(=N/N=C(/C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005502948 210477337 /nfs/dbraw/zinc/47/73/37/210477337.db2.gz DMMYLVOVZLJONB-WHYMJUELSA-N 0 0 326.312 3.736 50 30 EHEARN Cc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)c(C#N)c(C)c1C ZINC000005089217 210385976 /nfs/dbraw/zinc/38/59/76/210385976.db2.gz JBOLRKNKMHZAEJ-ZBEGNZNMSA-N 0 0 331.485 3.666 50 30 EHEARN N#Cc1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000007062263 208580439 /nfs/dbraw/zinc/58/04/39/208580439.db2.gz NPJKHDXYJIKRIL-UHFFFAOYSA-N 0 0 348.427 3.626 50 30 EHEARN C=CCSC1=N/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)S1 ZINC000004845460 210297343 /nfs/dbraw/zinc/29/73/43/210297343.db2.gz BOYBNAFTWKIMRX-WMZJFQQLSA-N 0 0 339.825 3.958 50 30 EHEARN Cc1ccc2cccc(OCCOCCOc3ccc(C#N)cc3)c2n1 ZINC000004842872 210296486 /nfs/dbraw/zinc/29/64/86/210296486.db2.gz XGIHIMTVDHGNCE-UHFFFAOYSA-N 0 0 348.402 3.889 50 30 EHEARN O=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000004832303 210290694 /nfs/dbraw/zinc/29/06/94/210290694.db2.gz TYOPUDKGHVMZNS-VLGSPTGOSA-N 0 0 330.796 3.616 50 30 EHEARN O=C(/C=C\c1ccc(F)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000096931875 257839458 /nfs/dbraw/zinc/83/94/58/257839458.db2.gz PSUYIBZTAASUTR-ALCCZGGFSA-N 0 0 329.346 3.698 50 30 EHEARN CSc1cccc([C@@H](NC(=O)CC#N)c2ccc(F)c(F)c2)c1 ZINC000356766483 257930651 /nfs/dbraw/zinc/93/06/51/257930651.db2.gz SBOHULKWHXCVGJ-QGZVFWFLSA-N 0 0 332.375 3.806 50 30 EHEARN CC[C@](C)(NC(=O)C(=O)Nc1cc(C)c(F)cc1C)c1nccs1 ZINC000328596589 258042610 /nfs/dbraw/zinc/04/26/10/258042610.db2.gz GGJAMBMWKJCRJS-KRWDZBQOSA-N 0 0 349.431 3.929 50 30 EHEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000408513714 257984353 /nfs/dbraw/zinc/98/43/53/257984353.db2.gz RSLOYLFFEFHEHG-IRXDYDNUSA-N 0 0 345.402 3.567 50 30 EHEARN C=CCN(Cc1csc(-c2ncccn2)n1)Cc1cccs1 ZINC000051262524 258015295 /nfs/dbraw/zinc/01/52/95/258015295.db2.gz ZRBSWJBMNYDWRG-UHFFFAOYSA-N 0 0 328.466 3.850 50 30 EHEARN C[C@@](C#N)(NC(=O)CNc1ccccc1Oc1ccccc1)C1CC1 ZINC000009313621 258053734 /nfs/dbraw/zinc/05/37/34/258053734.db2.gz JDVCLCVDPXXYLY-FQEVSTJZSA-N 0 0 335.407 3.699 50 30 EHEARN CCCCCCn1c2ccccc2nc1SCC(=O)NCCC#N ZINC000008759537 258053830 /nfs/dbraw/zinc/05/38/30/258053830.db2.gz HDORETSJBJZGBF-UHFFFAOYSA-N 0 0 344.484 3.739 50 30 EHEARN COc1ccc(CN(C(=O)CC#N)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000170599382 258071317 /nfs/dbraw/zinc/07/13/17/258071317.db2.gz VDSZHHCWVDXVEM-GOEBONIOSA-N 0 0 330.428 3.525 50 30 EHEARN CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000254047952 258073483 /nfs/dbraw/zinc/07/34/83/258073483.db2.gz UAMNQIUKJVUQMR-FITZOCOBSA-N 0 0 330.468 3.838 50 30 EHEARN COCCOc1cccc(F)c1C(=O)/C=C/c1cccc(C#N)c1 ZINC000069325103 262533014 /nfs/dbraw/zinc/53/30/14/262533014.db2.gz NNIIKFHVOPFJML-CMDGGOBGSA-N 0 0 325.339 3.619 50 30 EHEARN C[C@]1(C(=O)/C(Br)=C/c2ccc(Br)cc2)CO1 ZINC000000500619 518185405 /nfs/dbraw/zinc/18/54/05/518185405.db2.gz NAUGDUPWWZKRAV-XTOZHPGHSA-N 0 0 346.018 3.543 50 30 EHEARN C=CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1 ZINC000016625075 518801648 /nfs/dbraw/zinc/80/16/48/518801648.db2.gz MVILNOWEYPWIQG-UHFFFAOYSA-N 0 0 325.393 3.627 50 30 EHEARN C=CCn1c([C@@H](CCCC)C[C@H](O)COCCC)n[nH]c1=S ZINC000005737153 519259574 /nfs/dbraw/zinc/25/95/74/519259574.db2.gz SFTZVLUIESDDRA-KBPBESRZSA-N 0 0 327.494 3.578 50 30 EHEARN C=C[C@@H](CC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccccc1 ZINC000095442566 519294380 /nfs/dbraw/zinc/29/43/80/519294380.db2.gz JMHWSGFGASEZSI-HNNXBMFYSA-N 0 0 335.407 3.515 50 30 EHEARN C=C[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)OC(C)(C)C ZINC000036452513 519300458 /nfs/dbraw/zinc/30/04/58/519300458.db2.gz LYFYOJAKMXFONP-RDJZCZTQSA-N 0 0 329.440 3.683 50 30 EHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000096920191 519708943 /nfs/dbraw/zinc/70/89/43/519708943.db2.gz YTRUQBMGVOCSNN-XFXZXTDPSA-N 0 0 348.402 3.668 50 30 EHEARN Cc1ccccc1[C@H](C#N)NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000096414435 525398201 /nfs/dbraw/zinc/39/82/01/525398201.db2.gz XXVFOIALLXZGEN-INIZCTEOSA-N 0 0 337.404 3.635 50 30 EHEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O ZINC000013778166 525815676 /nfs/dbraw/zinc/81/56/76/525815676.db2.gz MIWARKLLFYRQPR-DHDCSXOGSA-N 0 0 326.373 3.988 50 30 EHEARN c1c(CON=C2CCC3(CC2)OCCO3)noc1-c1ccccc1 ZINC000047538950 526401547 /nfs/dbraw/zinc/40/15/47/526401547.db2.gz WEZYXUHJXSRQGY-UHFFFAOYSA-N 0 0 328.368 3.531 50 30 EHEARN N#CC1(NC(=O)CNc2ccccc2Cc2ccccc2)CCCC1 ZINC000025895934 526434974 /nfs/dbraw/zinc/43/49/74/526434974.db2.gz SBIOVGMXXGOFHS-UHFFFAOYSA-N 0 0 333.435 3.642 50 30 EHEARN N=C(COc1ccc(Cl)cc1Cl)NOC(=O)c1ccccc1 ZINC000004389753 526812145 /nfs/dbraw/zinc/81/21/45/526812145.db2.gz FNORLWXRXSRDJT-UHFFFAOYSA-N 0 0 339.178 3.501 50 30 EHEARN S=C(NCc1ccco1)N/N=C/c1ccc(Cl)c(Cl)c1 ZINC000000072594 563215869 /nfs/dbraw/zinc/21/58/69/563215869.db2.gz HTTZZKNSERQUOF-REZTVBANSA-N 0 0 328.224 3.585 50 30 EHEARN CCc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000133550 563239436 /nfs/dbraw/zinc/23/94/36/563239436.db2.gz MGJSPRUXETYSFV-LDADJPATSA-N 0 0 336.844 3.605 50 30 EHEARN CN(C)c1ccc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000000446336 563317294 /nfs/dbraw/zinc/31/72/94/563317294.db2.gz WMKJQWCFADSRPB-LPYMAVHISA-N 0 0 343.386 3.536 50 30 EHEARN Cc1nn(Cc2ccccc2)c(C)c1[C@H](C#N)N1N=C(C)CC1(C)C ZINC000001430199 563388927 /nfs/dbraw/zinc/38/89/27/563388927.db2.gz PYRSKIFXCSBUJK-SFHVURJKSA-N 0 0 335.455 3.973 50 30 EHEARN C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000001995152 563417577 /nfs/dbraw/zinc/41/75/77/563417577.db2.gz TYNRPOFACABVSI-UHFFFAOYSA-N 0 0 332.162 3.964 50 30 EHEARN COCCN1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 ZINC000002777155 563450943 /nfs/dbraw/zinc/45/09/43/563450943.db2.gz IXGZAZDWTARKPB-QSEULQJASA-N 0 0 344.461 3.999 50 30 EHEARN N#CCCN(CCC#N)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000002857296 563456384 /nfs/dbraw/zinc/45/63/84/563456384.db2.gz DXIIWUWQIUOCSA-UHFFFAOYSA-N 0 0 331.375 3.580 50 30 EHEARN N#CCCN(CCC#N)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000003161746 563474798 /nfs/dbraw/zinc/47/47/98/563474798.db2.gz UOSYUFAWJZOJHU-UHFFFAOYSA-N 0 0 327.240 3.820 50 30 EHEARN COc1cccc(/C(C)=N/N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000005032987 563519439 /nfs/dbraw/zinc/51/94/39/563519439.db2.gz ATDIVFCTYGWREE-RCCKNPSSSA-N 0 0 343.858 3.895 50 30 EHEARN CO/N=C(/C)c1ccc(NC=C2C(=O)CC(CC(C)C)CC2=O)cc1 ZINC000005250010 563524423 /nfs/dbraw/zinc/52/44/23/563524423.db2.gz XBHCTMSCSOTKIA-UXZXVIKKSA-N 0 0 342.439 3.947 50 30 EHEARN O=C1/C(=C/c2ccc(O)cc2O)CCC/C1=C\c1ccc(O)cc1O ZINC000005344236 563527638 /nfs/dbraw/zinc/52/76/38/563527638.db2.gz JFESQQVBZPAHPN-VOMDNODZSA-N 0 0 338.359 3.729 50 30 EHEARN C[C@@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc32)NC1=O ZINC000005573311 563540785 /nfs/dbraw/zinc/54/07/85/563540785.db2.gz WFFWYBSBNIEHHX-DQAKUKQTSA-N 0 0 333.416 3.934 50 30 EHEARN CCOC(=O)c1ccc(N/N=C2/Sc3ccccc3C2=O)cc1 ZINC000005905772 563553514 /nfs/dbraw/zinc/55/35/14/563553514.db2.gz LBCCUZGRLNZJCY-KNTRCKAVSA-N 0 0 326.377 3.577 50 30 EHEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)cc1 ZINC000008407989 563629701 /nfs/dbraw/zinc/62/97/01/563629701.db2.gz MYLVYOMRLGAEFB-QGZVFWFLSA-N 0 0 346.427 3.534 50 30 EHEARN N#Cc1c(NC(=O)Nc2cn3ccccc3c2C#N)cn2ccccc12 ZINC000032603885 563662290 /nfs/dbraw/zinc/66/22/90/563662290.db2.gz CPKYNJLIRLKSOO-UHFFFAOYSA-N 0 0 340.346 3.579 50 30 EHEARN O=C(C/C=N\OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000012957761 563678986 /nfs/dbraw/zinc/67/89/86/563678986.db2.gz JVMQXULIVMVTOW-ZDLGFXPLSA-N 0 0 347.758 3.779 50 30 EHEARN Cc1c(-c2ccccc2)oc2c(C(=O)N(C)CCC#N)cccc2c1=O ZINC000013624701 563704214 /nfs/dbraw/zinc/70/42/14/563704214.db2.gz FGCRLKJPAITTNU-UHFFFAOYSA-N 0 0 346.386 3.754 50 30 EHEARN N#CCc1ccc(NC(=O)CNc2cccc(Br)c2)cc1 ZINC000015288496 563781152 /nfs/dbraw/zinc/78/11/52/563781152.db2.gz RXWSXHNJOXNXOK-UHFFFAOYSA-N 0 0 344.212 3.566 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S ZINC000032957280 563901111 /nfs/dbraw/zinc/90/11/11/563901111.db2.gz OZAYBCXXQRMQJC-SOFGYWHQSA-N 0 0 346.296 3.898 50 30 EHEARN Cc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@H](c2ccco2)C3)c1 ZINC000032985472 563920692 /nfs/dbraw/zinc/92/06/92/563920692.db2.gz JBNFPTKJDGKSCC-CQSZACIVSA-N 0 0 344.370 3.523 50 30 EHEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000057525171 563935671 /nfs/dbraw/zinc/93/56/71/563935671.db2.gz URFYOILWJMILHW-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(CCC#N)C1CC1 ZINC000096433811 563952918 /nfs/dbraw/zinc/95/29/18/563952918.db2.gz UFPOKZGGDOXAFX-UHFFFAOYSA-N 0 0 340.349 3.681 50 30 EHEARN CC(C)(C)OC(=O)N1CCC(C#N)(COCc2ccccc2)CC1 ZINC000071254553 563964072 /nfs/dbraw/zinc/96/40/72/563964072.db2.gz CHMOOTFDKMFVJJ-UHFFFAOYSA-N 0 0 330.428 3.744 50 30 EHEARN COCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C#N)c2C)o1 ZINC000097094982 563967430 /nfs/dbraw/zinc/96/74/30/563967430.db2.gz UWVROAWSHNZROY-QGZVFWFLSA-N 0 0 339.395 3.975 50 30 EHEARN COc1nc2ccccc2cc1-c1cc(-c2cc[nH]c2)nc(N)c1C#N ZINC000071738573 563982914 /nfs/dbraw/zinc/98/29/14/563982914.db2.gz RUUVEEZAYLTRKQ-UHFFFAOYSA-N 0 0 341.374 3.754 50 30 EHEARN CCCCC[C@@H]1NC(=O)N(c2cc(C(=O)NCC)ccc2C)C1=O ZINC000328595166 563986087 /nfs/dbraw/zinc/98/60/87/563986087.db2.gz MLKCAWMZEMSJAU-AWEZNQCLSA-N 0 0 331.416 3.529 50 30 EHEARN COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000000109154 563986528 /nfs/dbraw/zinc/98/65/28/563986528.db2.gz YMMJJEPPIBRKRX-PKOBYXMFSA-N 0 0 339.366 3.667 50 30 EHEARN Cc1ccc2c(c1)scc2C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000408515372 563993009 /nfs/dbraw/zinc/99/30/09/563993009.db2.gz ZWZUCBAIYDGVNM-CYBMUJFWSA-N 0 0 335.388 3.566 50 30 EHEARN C[C@@H](SCc1ccccc1)C(=O)NCC#Cc1cccc(F)c1 ZINC000225765465 563995974 /nfs/dbraw/zinc/99/59/74/563995974.db2.gz VVDIBPYQOCLVIP-OAHLLOKOSA-N 0 0 327.424 3.615 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(OC)cc1 ZINC000000428087 563998856 /nfs/dbraw/zinc/99/88/56/563998856.db2.gz UWDXAOVMLGESTC-QFBILLFUSA-N 0 0 340.375 3.608 50 30 EHEARN N#Cc1c(F)cccc1C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000188514914 564004499 /nfs/dbraw/zinc/00/44/99/564004499.db2.gz FREOKPJHFUFTQH-UHFFFAOYSA-N 0 0 348.337 3.877 50 30 EHEARN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1cccnc1 ZINC000005520120 564004913 /nfs/dbraw/zinc/00/49/13/564004913.db2.gz PVDHKFSAZXAHMC-MLPAPPSSSA-N 0 0 333.775 3.766 50 30 EHEARN C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000006974785 564006796 /nfs/dbraw/zinc/00/67/96/564006796.db2.gz YQXKSQPKZJJGIF-BXUZGUMPSA-N 0 0 348.859 3.782 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N(C)c2ccccc2)n1 ZINC000005642736 564006930 /nfs/dbraw/zinc/00/69/30/564006930.db2.gz SRBVHPMLFDJYFS-AWEZNQCLSA-N 0 0 325.437 3.714 50 30 EHEARN Cc1c(C#N)c(NC(=O)c2ccc(F)cc2)sc1C(=O)OC(C)C ZINC000000484074 564016876 /nfs/dbraw/zinc/01/68/76/564016876.db2.gz UOPWZFLGNRRFAM-UHFFFAOYSA-N 0 0 346.383 3.885 50 30 EHEARN CC[C@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000102026863 564019835 /nfs/dbraw/zinc/01/98/35/564019835.db2.gz JUPRPCIZFPLYQG-CABZTGNLSA-N 0 0 326.368 3.695 50 30 EHEARN Cc1ccc(C(=O)OC/C(=N\O)c2ccc(Br)cc2)cc1 ZINC000102519910 564020245 /nfs/dbraw/zinc/02/02/45/564020245.db2.gz QXNXSOSWFHUWSN-OBGWFSINSA-N 0 0 348.196 3.793 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@H]1C=CCC1 ZINC000103259834 564022006 /nfs/dbraw/zinc/02/20/06/564022006.db2.gz IUUXBWWTOBBHDH-QWHCGFSZSA-N 0 0 346.814 3.661 50 30 EHEARN CCO[C@@H]1Oc2ccc(C)cc2C(=O)C1=CNc1ccccc1O ZINC000103835439 564023169 /nfs/dbraw/zinc/02/31/69/564023169.db2.gz GOSLQEDDFZDXTC-KWRJMZDGSA-N 0 0 325.364 3.634 50 30 EHEARN CC(C)Cn1ccc2cc(NC(=O)C3(C#N)CCOCC3)ccc21 ZINC000109141510 564028666 /nfs/dbraw/zinc/02/86/66/564028666.db2.gz QDVYIYWZQXVUQB-UHFFFAOYSA-N 0 0 325.412 3.556 50 30 EHEARN O=C(N=C(NCc1cccnc1)Nc1ccc(F)cc1)c1ccccc1 ZINC000046128267 564029622 /nfs/dbraw/zinc/02/96/22/564029622.db2.gz XPULJTZBLOPBAG-UHFFFAOYSA-N 0 0 348.381 3.619 50 30 EHEARN CCOc1cc(C#N)c(NC(=O)c2ccccc2F)cc1OCC ZINC000001075566 564054286 /nfs/dbraw/zinc/05/42/86/564054286.db2.gz VGJBRARVYGXQPV-UHFFFAOYSA-N 0 0 328.343 3.747 50 30 EHEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(C)=O)ccc2C1=O ZINC000005825090 564056526 /nfs/dbraw/zinc/05/65/26/564056526.db2.gz QYDOKNZJULADHA-NXLLQJLMSA-N 0 0 336.343 3.793 50 30 biogenic EHEARN N#Cc1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000005830310 564056571 /nfs/dbraw/zinc/05/65/71/564056571.db2.gz RXACODHWGCZABA-UHFFFAOYSA-N 0 0 334.347 3.890 50 30 EHEARN COC(=O)[C@H](Cc1ccccc1)/N=C/c1ccc(OC)c(Cl)c1 ZINC000001384598 564064127 /nfs/dbraw/zinc/06/41/27/564064127.db2.gz BTOAGNXGRZPUMH-DORSJAEJSA-N 0 0 331.799 3.552 50 30 EHEARN Cc1cc(C(=O)NC2(C#N)CCCC2)c(C)n1Cc1cccs1 ZINC000084080242 564066264 /nfs/dbraw/zinc/06/62/64/564066264.db2.gz NEUOLTZRNAQZEX-UHFFFAOYSA-N 0 0 327.453 3.781 50 30 EHEARN C=C(Br)CSc1nnc(Cc2ccccc2OC)o1 ZINC000066257845 564067023 /nfs/dbraw/zinc/06/70/23/564067023.db2.gz DCDOJLCYHPAYGC-UHFFFAOYSA-N 0 0 341.230 3.670 50 30 EHEARN N#Cc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000012782399 564070122 /nfs/dbraw/zinc/07/01/22/564070122.db2.gz KMPBQHZESOIGBV-UHFFFAOYSA-N 0 0 342.782 3.554 50 30 EHEARN C#CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000000979800 564074633 /nfs/dbraw/zinc/07/46/33/564074633.db2.gz WUQXYZBTWNWALK-JASJWYONSA-N 0 0 345.420 3.542 50 30 EHEARN C#CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(OC)c2)C1=O ZINC000000979798 564074636 /nfs/dbraw/zinc/07/46/36/564074636.db2.gz WUQXYZBTWNWALK-PILJQMSFSA-N 0 0 345.420 3.542 50 30 EHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(C)(C)C)c2)c1 ZINC000012855040 564075479 /nfs/dbraw/zinc/07/54/79/564075479.db2.gz DWZKDMMEQYFDFZ-UHFFFAOYSA-N 0 0 335.403 3.858 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1cccc(F)c1 ZINC000012911130 564077954 /nfs/dbraw/zinc/07/79/54/564077954.db2.gz ANGRYNXXGZFYRM-UHFFFAOYSA-N 0 0 337.354 3.662 50 30 EHEARN COc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1OCC#N ZINC000075278412 564081383 /nfs/dbraw/zinc/08/13/83/564081383.db2.gz CHEUFWOVZKONJU-POHAHGRESA-N 0 0 340.813 3.580 50 30 EHEARN COc1ccccc1OCC#CCNC(=O)Nc1ccc(C)c(C)c1 ZINC000090610416 564084965 /nfs/dbraw/zinc/08/49/65/564084965.db2.gz VQLFIYHPEZFDAJ-UHFFFAOYSA-N 0 0 338.407 3.516 50 30 EHEARN N#CCn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000090610234 564084983 /nfs/dbraw/zinc/08/49/83/564084983.db2.gz UTOISPPWCWEXQT-UHFFFAOYSA-N 0 0 334.257 3.627 50 30 EHEARN Cc1ccc(-n2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)cc1 ZINC000006672207 564095795 /nfs/dbraw/zinc/09/57/95/564095795.db2.gz AEWBTWZTIILNKQ-UHFFFAOYSA-N 0 0 325.437 3.820 50 30 EHEARN CC(C)(C)C(=O)Nc1nnc(SCc2ccccc2C#N)s1 ZINC000006704333 564096218 /nfs/dbraw/zinc/09/62/18/564096218.db2.gz CALVHGGLBILLTE-UHFFFAOYSA-N 0 0 332.454 3.687 50 30 EHEARN CC1(C)Cc2c(C#N)c(N)n(CCc3ccccc3)c(=S)c2CO1 ZINC000006759751 564097313 /nfs/dbraw/zinc/09/73/13/564097313.db2.gz BXCMJBGFFBYBNA-UHFFFAOYSA-N 0 0 339.464 3.765 50 30 EHEARN N#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000006948974 564102113 /nfs/dbraw/zinc/10/21/13/564102113.db2.gz AAAZOVWWSBDXME-UHFFFAOYSA-N 0 0 327.192 3.666 50 30 EHEARN C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000006974779 564102578 /nfs/dbraw/zinc/10/25/78/564102578.db2.gz YQXKSQPKZJJGIF-RISCZKNCSA-N 0 0 348.859 3.782 50 30 EHEARN N#Cc1ccccc1COC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000007007050 564103077 /nfs/dbraw/zinc/10/30/77/564103077.db2.gz HCHSPKITDKVNJP-UHFFFAOYSA-N 0 0 346.342 3.761 50 30 EHEARN N#Cc1cccc(-c2cn3c(n2)N(C(=O)CC2CCCC2)CCC3)c1 ZINC000065259579 564103629 /nfs/dbraw/zinc/10/36/29/564103629.db2.gz DVDVTFXQTPCRGU-UHFFFAOYSA-N 0 0 334.423 3.739 50 30 EHEARN N#CCN(C(=O)CSc1ccnc2ccccc21)c1ccccc1 ZINC000065515167 564106712 /nfs/dbraw/zinc/10/67/12/564106712.db2.gz IOIVEOUIXXRFES-UHFFFAOYSA-N 0 0 333.416 3.884 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007542910 564110219 /nfs/dbraw/zinc/11/02/19/564110219.db2.gz FMPSABSBKJZJAE-AWEZNQCLSA-N 0 0 349.821 3.843 50 30 EHEARN COc1ccc2[nH]cc(C3CCN(C[C@@H](C#N)CCC#N)CC3)c2c1 ZINC000071825129 564111299 /nfs/dbraw/zinc/11/12/99/564111299.db2.gz OOSGFTCCLLYKDS-OAHLLOKOSA-N 0 0 336.439 3.799 50 30 EHEARN CC(C)n1c(CNC(=O)CCc2ccc(C#N)cc2)nc2ccccc21 ZINC000076018002 564114486 /nfs/dbraw/zinc/11/44/86/564114486.db2.gz UBWZHWJUVYSSIK-UHFFFAOYSA-N 0 0 346.434 3.738 50 30 EHEARN C=CCNC(=O)Nc1ccc(NCc2cccc(-n3cccn3)c2)cc1 ZINC000089893986 564114947 /nfs/dbraw/zinc/11/49/47/564114947.db2.gz HWCUYUOKZJKWTQ-UHFFFAOYSA-N 0 0 347.422 3.792 50 30 EHEARN N#CC1(NC(=O)CN2CC[C@@H]2c2ccc(Cl)cc2)CCCCCC1 ZINC000076093295 564115683 /nfs/dbraw/zinc/11/56/83/564115683.db2.gz LOUFLSCAIXOPKG-QGZVFWFLSA-N 0 0 345.874 3.820 50 30 EHEARN C#CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000006743068 564117499 /nfs/dbraw/zinc/11/74/99/564117499.db2.gz YZOGUDGBUUBGDW-UHFFFAOYSA-N 0 0 345.782 3.622 50 30 EHEARN N#CCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000002156851 564119543 /nfs/dbraw/zinc/11/95/43/564119543.db2.gz GRLTZOZSRZALSR-UHFFFAOYSA-N 0 0 335.791 3.937 50 30 EHEARN CC(=O)C(=NNc1ccccc1)Oc1ccc(Br)cc1 ZINC000252593093 564121028 /nfs/dbraw/zinc/12/10/28/564121028.db2.gz BJHSSSAPXZVPNS-UHFFFAOYSA-N 0 0 333.185 3.843 50 30 EHEARN C=CCn1c(C)c(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000252598485 564121101 /nfs/dbraw/zinc/12/11/01/564121101.db2.gz DBRAIEIUDFHPSC-UHFFFAOYSA-N 0 0 335.367 3.885 50 30 EHEARN COc1ccc(NC(=O)ON=Cc2ccc(N(C)C)cc2)cc1Cl ZINC000252623559 564122939 /nfs/dbraw/zinc/12/29/39/564122939.db2.gz OUBPURCPFLFFPB-UHFFFAOYSA-N 0 0 347.802 3.997 50 30 EHEARN CCOC(=O)c1sc(N=NCc2c[nH]c3ccccc23)nc1C ZINC000252629029 564123501 /nfs/dbraw/zinc/12/35/01/564123501.db2.gz TXEVAFMZVNPKTA-UHFFFAOYSA-N 0 0 328.397 3.556 50 30 EHEARN N#Cc1ccc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)nc1 ZINC000253398657 564130590 /nfs/dbraw/zinc/13/05/90/564130590.db2.gz JXAZRTCIMIYRBA-HNNXBMFYSA-N 0 0 333.313 3.550 50 30 EHEARN Cc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)CCC2 ZINC000000377381 564133137 /nfs/dbraw/zinc/13/31/37/564133137.db2.gz IPYLKBZQNHPTMT-UHFFFAOYSA-N 0 0 337.448 3.790 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)c2ccccc2)n1 ZINC000000545796 564133402 /nfs/dbraw/zinc/13/34/02/564133402.db2.gz PVEFMOWQCKJGNG-AWEZNQCLSA-N 0 0 325.437 3.540 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c1 ZINC000062557221 564133760 /nfs/dbraw/zinc/13/37/60/564133760.db2.gz DXFPDIIQTKNILF-MRXNPFEDSA-N 0 0 338.382 3.629 50 30 EHEARN Cc1c(C(=O)Nc2ccccc2C#N)nnn1-c1ccc(C(C)C)cc1 ZINC000008022108 564133871 /nfs/dbraw/zinc/13/38/71/564133871.db2.gz AXMXCCVQQSKTIJ-UHFFFAOYSA-N 0 0 345.406 3.823 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000002395228 564134490 /nfs/dbraw/zinc/13/44/90/564134490.db2.gz CVNOOXRMJQZVNR-GOSISDBHSA-N 0 0 347.370 3.533 50 30 EHEARN CSc1ccc(NC(=O)[C@@H](C)Sc2cc(C#N)ccn2)cc1 ZINC000078754842 564134558 /nfs/dbraw/zinc/13/45/58/564134558.db2.gz IISVMLIKPMTTPN-LLVKDONJSA-N 0 0 329.450 3.794 50 30 EHEARN CCc1c(C)sc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1C#N ZINC000225507161 564135565 /nfs/dbraw/zinc/13/55/65/564135565.db2.gz HLKHSKXPCGEGDA-UHFFFAOYSA-N 0 0 345.380 3.660 50 30 EHEARN N#Cc1cccc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)n1 ZINC000082116259 564135604 /nfs/dbraw/zinc/13/56/04/564135604.db2.gz IQBLQFLEXHTLAB-SFHVURJKSA-N 0 0 343.434 3.582 50 30 EHEARN N#Cc1cccc(C#N)c1Oc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000225511662 564135774 /nfs/dbraw/zinc/13/57/74/564135774.db2.gz FJKFHYQZAQSSIO-UHFFFAOYSA-N 0 0 345.280 3.514 50 30 EHEARN N#Cc1c2c(sc1NC(=O)CN1CC[C@H]3CCCC[C@@H]3C1)CCC2 ZINC000013116002 564136009 /nfs/dbraw/zinc/13/60/09/564136009.db2.gz PONCICRLDOWJID-ZIAGYGMSSA-N 0 0 343.496 3.559 50 30 EHEARN CCc1nc(CNC(=O)N2CCCC[C@@H]2c2nccn2CC)cs1 ZINC000328587707 564136536 /nfs/dbraw/zinc/13/65/36/564136536.db2.gz FPJIFCRAOYZCGV-CQSZACIVSA-N 0 0 347.488 3.563 50 30 EHEARN CC(C)(C)OC(=O)NCCC(=O)NC(C)(C)C(=O)c1ccccc1 ZINC000328593500 564136762 /nfs/dbraw/zinc/13/67/62/564136762.db2.gz BNIZQDNVEPWHOX-UHFFFAOYSA-N 0 0 334.416 3.724 50 30 EHEARN N#CCOc1ccc(CC(=O)NCc2ccc(-c3ccccc3)o2)cc1 ZINC000095394850 564139452 /nfs/dbraw/zinc/13/94/52/564139452.db2.gz NFEHLMFQKCWEOZ-UHFFFAOYSA-N 0 0 346.386 3.708 50 30 EHEARN C=CCNC(=O)c1ccc(N2CCC[C@H]2c2ccccc2Cl)nc1 ZINC000095963792 564142866 /nfs/dbraw/zinc/14/28/66/564142866.db2.gz ZMICHVGDXIEOCZ-KRWDZBQOSA-N 0 0 341.842 3.992 50 30 EHEARN CO[C@@](C)(CNC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000096392361 564147019 /nfs/dbraw/zinc/14/70/19/564147019.db2.gz KICAHJRSRBZZTH-SFHVURJKSA-N 0 0 328.799 3.503 50 30 EHEARN C=C1N(C)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2C1(C)C ZINC000003164894 564155579 /nfs/dbraw/zinc/15/55/79/564155579.db2.gz IFXBFAANWZNQTE-UHFFFAOYSA-N 0 0 332.403 3.724 50 30 EHEARN N#Cc1ncn(-c2nc(C3CC3)nc3scc(-c4ccccc4)c32)n1 ZINC000058541488 564159339 /nfs/dbraw/zinc/15/93/39/564159339.db2.gz IPHJWTKFMMKIKN-UHFFFAOYSA-N 0 0 344.403 3.688 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004082273 564160433 /nfs/dbraw/zinc/16/04/33/564160433.db2.gz UQVIXFCYKBWZPJ-YRCLAMMRSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN N#C[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1Cl ZINC000172026183 564166394 /nfs/dbraw/zinc/16/63/94/564166394.db2.gz VQBIECJQBVDEAC-INIZCTEOSA-N 0 0 326.783 3.684 50 30 EHEARN Cc1cccc(N(CCC#N)C(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000069533287 564170274 /nfs/dbraw/zinc/17/02/74/564170274.db2.gz BFDOIPWBCOSMGH-UHFFFAOYSA-N 0 0 327.315 3.603 50 30 EHEARN CO[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069814630 564172339 /nfs/dbraw/zinc/17/23/39/564172339.db2.gz ZUDXXQXNLZBLNA-VHSXEESVSA-N 0 0 336.363 3.690 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000069921031 564172850 /nfs/dbraw/zinc/17/28/50/564172850.db2.gz NIUWLEYTCNTGBC-JXMROGBWSA-N 0 0 325.343 3.555 50 30 EHEARN N#Cc1cccc(C2(C(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)c1 ZINC000619450758 1032938086 /nfs/dbraw/zinc/93/80/86/1032938086.db2.gz KEARNLHOVOTUSA-LJQANCHMSA-N 0 0 334.394 3.923 50 30 EHEARN COc1ccc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)cc1F ZINC000021702397 1028915449 /nfs/dbraw/zinc/91/54/49/1028915449.db2.gz LDSNCGFJGZQMEZ-ZZEZOPTASA-N 0 0 343.427 3.773 50 30 EHEARN COc1ccc2c(c1)CC/C(=C\c1cc(OC)c(O)c(OC)c1)C2=O ZINC000096792322 1039168624 /nfs/dbraw/zinc/16/86/24/1039168624.db2.gz RYAHHAICSHWCMV-RIYZIHGNSA-N 0 0 340.375 3.631 50 30 EHEARN N#CCOC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000033547257 1122809627 /nfs/dbraw/zinc/80/96/27/1122809627.db2.gz MBZLGTQWQRKHRJ-SEYXRHQNSA-N 0 0 330.343 3.995 50 30 EHEARN C[C@@H](c1nc2ccccc2o1)N1CCN(c2ccccc2C#N)CC1 ZINC000181053949 1124496934 /nfs/dbraw/zinc/49/69/34/1124496934.db2.gz CZPOURHCANMOCX-HNNXBMFYSA-N 0 0 332.407 3.583 50 30 EHEARN C[C@@](C#N)(NC(=O)c1cc(Cl)ncc1Cl)C1CCCCC1 ZINC000584908806 1136859617 /nfs/dbraw/zinc/85/96/17/1136859617.db2.gz VTELTIDBPUZSNM-HNNXBMFYSA-N 0 0 326.227 3.981 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC[C@@H]2c2ccccc2OC)N=N1 ZINC000952880820 1137483382 /nfs/dbraw/zinc/48/33/82/1137483382.db2.gz ISFKOCSLYMGNAZ-MRXNPFEDSA-N 0 0 325.412 3.714 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)N=N1 ZINC000952882345 1137483408 /nfs/dbraw/zinc/48/34/08/1137483408.db2.gz UNMCHXSLISQRSU-UHFFFAOYSA-N 0 0 341.430 3.963 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)N=N1 ZINC000952882290 1137483430 /nfs/dbraw/zinc/48/34/30/1137483430.db2.gz UEBVEQSUOOHXBQ-FZKQIMNGSA-N 0 0 327.403 3.921 50 30 EHEARN C#CCCC1(CCC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)N=N1 ZINC000952882480 1137483533 /nfs/dbraw/zinc/48/35/33/1137483533.db2.gz VSYIMYARZFKGIW-INIZCTEOSA-N 0 0 345.830 3.596 50 30 EHEARN CC(=NO)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000886016159 1138032657 /nfs/dbraw/zinc/03/26/57/1138032657.db2.gz HKEAFUNACHPLFU-UHFFFAOYSA-N 0 0 336.439 3.933 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2ccc(F)c(F)c2)ccc1OCC#N ZINC000003284094 1138087002 /nfs/dbraw/zinc/08/70/02/1138087002.db2.gz MMQQTJJBRVCQHI-XVNBXDOJSA-N 0 0 344.317 3.528 50 30 EHEARN N#Cc1cn(CC(=O)Nc2ccc(F)cc2Cl)c2ccccc12 ZINC000051319165 214088684 /nfs/dbraw/zinc/08/86/84/214088684.db2.gz YQOVVYMFLICDDR-UHFFFAOYSA-N 0 0 327.746 3.944 50 30 EHEARN C/C(=N\NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000004737877 210263565 /nfs/dbraw/zinc/26/35/65/210263565.db2.gz HRBAZFVJFWYBKG-XMHGGMMESA-N 0 0 330.453 3.687 50 30 EHEARN Cc1ccccc1-n1cnnc1SCCOc1cccc(C#N)c1 ZINC000053285663 214174751 /nfs/dbraw/zinc/17/47/51/214174751.db2.gz YRRSLIXSPSHTOS-UHFFFAOYSA-N 0 0 336.420 3.619 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1NC ZINC000055211439 214288425 /nfs/dbraw/zinc/28/84/25/214288425.db2.gz YFHGVBMTBDXDFD-UHFFFAOYSA-N 0 0 348.406 3.607 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000049765650 214031962 /nfs/dbraw/zinc/03/19/62/214031962.db2.gz HXFYSCQNKCJQDQ-OXJNMPFZSA-N 0 0 349.434 3.864 50 30 EHEARN N#Cc1c(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])sc2c1CCC2 ZINC000098053437 219074463 /nfs/dbraw/zinc/07/44/63/219074463.db2.gz QGZODHAJCGNKNL-HJWRWDBZSA-N 0 0 339.376 3.669 50 30 EHEARN Cc1sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C#N)c1C ZINC000004570291 210223675 /nfs/dbraw/zinc/22/36/75/210223675.db2.gz JSJKYBWDMSOQSV-VOTSOKGWSA-N 0 0 327.365 3.797 50 30 EHEARN N#Cc1cccc(COC(=O)CCC(=O)c2ccc(Cl)s2)c1 ZINC000004460473 210195129 /nfs/dbraw/zinc/19/51/29/210195129.db2.gz NHGWUMSGGWQQKJ-UHFFFAOYSA-N 0 0 333.796 3.979 50 30 EHEARN C=CCSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CCCC1=N2 ZINC000004436249 210192247 /nfs/dbraw/zinc/19/22/47/210192247.db2.gz WFGBLHRPOUFJDP-INIZCTEOSA-N 0 0 338.436 3.578 50 30 EHEARN CCOC(=O)c1sc(N=NC2CCCc3ccccc32)nc1C ZINC000004323930 210170660 /nfs/dbraw/zinc/17/06/60/210170660.db2.gz QWZIWANPTOWSSH-XMHGGMMESA-N 0 0 329.425 3.781 50 30 EHEARN CCOc1ccc2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000004047977 210107459 /nfs/dbraw/zinc/10/74/59/210107459.db2.gz UJYLWLGEVLJALV-UDWIEESQSA-N 0 0 336.351 3.988 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004033310 210104415 /nfs/dbraw/zinc/10/44/15/210104415.db2.gz SOECKLMVHIYVGS-QGZVFWFLSA-N 0 0 343.430 3.807 50 30 EHEARN CN(CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(Cl)c1Cl ZINC000003585082 210058675 /nfs/dbraw/zinc/05/86/75/210058675.db2.gz AOQGSSBJNZJPSK-UHFFFAOYSA-N 0 0 348.233 3.936 50 30 EHEARN COc1ccc(-c2cc(-c3c(C)noc3C)c(C#N)c(N)n2)c(F)c1 ZINC000067473466 215152443 /nfs/dbraw/zinc/15/24/43/215152443.db2.gz BEVNPCMDOFLGIL-UHFFFAOYSA-N 0 0 338.342 3.622 50 30 EHEARN O=C(Nc1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000003152646 209970311 /nfs/dbraw/zinc/97/03/11/209970311.db2.gz ANRGAPUYGMIHQI-UHFFFAOYSA-N 0 0 339.157 3.935 50 30 EHEARN COc1ccc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c(OC)c1 ZINC000067920680 215250001 /nfs/dbraw/zinc/25/00/01/215250001.db2.gz RZPWJUQDPHGZEE-UHFFFAOYSA-N 0 0 347.374 3.592 50 30 EHEARN COC(=O)c1ccc(CSc2nc(C(F)F)cc(C)c2C#N)o1 ZINC000002756520 209903536 /nfs/dbraw/zinc/90/35/36/209903536.db2.gz CRXZHIVYFWAKAR-UHFFFAOYSA-N 0 0 338.335 3.871 50 30 EHEARN N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccccc1Cl ZINC000103504352 219309387 /nfs/dbraw/zinc/30/93/87/219309387.db2.gz KAFJSDYBYKBZDC-LLVKDONJSA-N 0 0 333.174 3.955 50 30 EHEARN CC(=O)/C(=N\Nc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1 ZINC000103744118 219323203 /nfs/dbraw/zinc/32/32/03/219323203.db2.gz RKVRBPKTRIHMGQ-OBGWFSINSA-N 0 0 333.731 3.642 50 30 EHEARN N#CCCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002024603 209813376 /nfs/dbraw/zinc/81/33/76/209813376.db2.gz OKNDUAOCSBCEJT-UHFFFAOYSA-N 0 0 326.849 3.577 50 30 EHEARN N#Cc1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000040498730 213323269 /nfs/dbraw/zinc/32/32/69/213323269.db2.gz HKKWKYKQJXZEIN-UHFFFAOYSA-N 0 0 340.231 3.980 50 30 EHEARN N#Cc1c2c(sc1NC(=O)c1cncc(Br)c1)CCC2 ZINC000040457572 213306636 /nfs/dbraw/zinc/30/66/36/213306636.db2.gz JPOYYPUYLIYZGL-UHFFFAOYSA-N 0 0 348.225 3.518 50 30 EHEARN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000040107321 213266096 /nfs/dbraw/zinc/26/60/96/213266096.db2.gz HYTMBMKVNRHTFC-ZMSDIMECSA-N 0 0 344.455 3.667 50 30 EHEARN Cc1nc2cc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)ccc2o1 ZINC000039516924 213239598 /nfs/dbraw/zinc/23/95/98/213239598.db2.gz ODNXFNCSEIUSDS-UHFFFAOYSA-N 0 0 346.346 3.952 50 30 EHEARN CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(C#N)cc2)n1 ZINC000069707188 215546557 /nfs/dbraw/zinc/54/65/57/215546557.db2.gz BOLFETPGUBVEHI-UHFFFAOYSA-N 0 0 332.363 3.984 50 30 EHEARN N#Cc1nc(COc2ccc(F)cc2)oc1NCCc1ccccc1 ZINC000000553143 209661646 /nfs/dbraw/zinc/66/16/46/209661646.db2.gz PJWXSKWCLBDMBC-UHFFFAOYSA-N 0 0 337.354 3.919 50 30 EHEARN CC1N=NC(=S)N1N=Cc1ccc(COc2ccc(Cl)cc2)o1 ZINC000036611099 213100520 /nfs/dbraw/zinc/10/05/20/213100520.db2.gz GNAGGPKKWSHWDQ-CAOOACKPSA-N 0 0 348.815 3.583 50 30 EHEARN N#Cc1cccnc1N[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000072424911 216215312 /nfs/dbraw/zinc/21/53/12/216215312.db2.gz XEMXVDPHECALCN-CQSZACIVSA-N 0 0 335.436 3.644 50 30 EHEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3C)C1=O)cn2C ZINC000026439487 212519785 /nfs/dbraw/zinc/51/97/85/212519785.db2.gz ZMGGSOJIOKYFAY-LSCVHKIXSA-N 0 0 335.359 3.817 50 30 EHEARN CCCNc1ccc(C#N)cc1NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000075092563 216551334 /nfs/dbraw/zinc/55/13/34/216551334.db2.gz RIUVWEKYKZAOCJ-KDOFPFPSSA-N 0 0 329.444 3.914 50 30 EHEARN CC(C)n1nccc1NC(=O)[C@H](C)SCc1ccc(F)cc1C#N ZINC000193643298 240247023 /nfs/dbraw/zinc/24/70/23/240247023.db2.gz DKNHCHLUQLQSLA-LBPRGKRZSA-N 0 0 346.431 3.735 50 30 EHEARN Clc1ccc(CN2CCN(/N=C/C=C\c3ccco3)CC2)cc1 ZINC000022147680 212280788 /nfs/dbraw/zinc/28/07/88/212280788.db2.gz RZEULCYZOKAERR-WNTDWIKMSA-N 0 0 329.831 3.750 50 30 EHEARN COc1cc(/C=C2/Sc3ccccc3C2=O)c([N+](=O)[O-])cc1O ZINC000211055496 241076442 /nfs/dbraw/zinc/07/64/42/241076442.db2.gz XXDYOKHIKMQFKR-VIZOYTHASA-N 0 0 329.333 3.639 50 30 EHEARN Cc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000020189216 212109835 /nfs/dbraw/zinc/10/98/35/212109835.db2.gz VMCAENBAGVAOGA-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccccc3C#N)C2)c1 ZINC000077407406 216898175 /nfs/dbraw/zinc/89/81/75/216898175.db2.gz NOWZMYXQKVKHJM-KRWDZBQOSA-N 0 0 334.419 3.798 50 30 EHEARN COc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000019790567 212067507 /nfs/dbraw/zinc/06/75/07/212067507.db2.gz XTUYRHZGUBVRJJ-KGENOOAVSA-N 0 0 343.858 3.500 50 30 EHEARN C=CCC(O)(CC=C)CNC(=O)c1cc(C)nc2cc(Cl)ccc21 ZINC000019147949 212002139 /nfs/dbraw/zinc/00/21/39/212002139.db2.gz DJDSFVWHARXYSR-UHFFFAOYSA-N 0 0 344.842 3.810 50 30 EHEARN COc1ccc(C(=O)OCc2cccc(C#N)c2)cc1Br ZINC000017266797 211960900 /nfs/dbraw/zinc/96/09/00/211960900.db2.gz KJOIUQMGNLMUJL-UHFFFAOYSA-N 0 0 346.180 3.686 50 30 EHEARN N#Cc1ccsc1NC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000017067893 211949448 /nfs/dbraw/zinc/94/94/48/211949448.db2.gz XUDZDNCXNNITDY-UHFFFAOYSA-N 0 0 330.752 3.632 50 30 EHEARN C[C@@H](S[C@H](C(N)=O)c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000079358889 217214895 /nfs/dbraw/zinc/21/48/95/217214895.db2.gz AIHYCZCJNHCKDB-HWPZZCPQSA-N 0 0 332.375 3.857 50 30 EHEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)C1 ZINC000013618381 211592289 /nfs/dbraw/zinc/59/22/89/211592289.db2.gz YLDULFYBKSPFSD-TXEJJXNPSA-N 0 0 326.356 3.604 50 30 EHEARN COC(=O)c1sc(N=NCc2ccc(Cl)cc2Cl)nc1C ZINC000012127611 211300227 /nfs/dbraw/zinc/30/02/27/211300227.db2.gz CRJHSRDNIWDKNY-OMCISZLKSA-N 0 0 344.223 3.991 50 30 EHEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000012062921 211284556 /nfs/dbraw/zinc/28/45/56/211284556.db2.gz YGGZMKXIJDGORD-SFHVURJKSA-N 0 0 349.361 3.972 50 30 EHEARN Cc1nc(SCc2ccc(C#N)cc2)[nH]c(=O)c1Cc1ccccc1 ZINC000011905604 211266879 /nfs/dbraw/zinc/26/68/79/211266879.db2.gz JAWSCYHXBNUBKE-UHFFFAOYSA-N 0 0 347.443 3.833 50 30 EHEARN C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000092021814 218105774 /nfs/dbraw/zinc/10/57/74/218105774.db2.gz HNVDTNRQMFZKEE-IBGZPJMESA-N 0 0 331.460 3.631 50 30 EHEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)COc2ccccc2)c1C#N ZINC000009303704 211063650 /nfs/dbraw/zinc/06/36/50/211063650.db2.gz ANWWKSBNLYXQBI-UHFFFAOYSA-N 0 0 349.390 3.635 50 30 EHEARN Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)c1cccc(Cl)c1 ZINC000095438943 218381840 /nfs/dbraw/zinc/38/18/40/218381840.db2.gz XAYVKMDMEICQJY-KRWDZBQOSA-N 0 0 338.798 3.512 50 30 EHEARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(C#N)cn1 ZINC000095440396 218384750 /nfs/dbraw/zinc/38/47/50/218384750.db2.gz BJEPACICNQOWJV-GFCCVEGCSA-N 0 0 328.441 3.675 50 30 EHEARN C=C1C=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000006780246 210708906 /nfs/dbraw/zinc/70/89/06/210708906.db2.gz AOKVPXZYQSAPMF-BIHSPOSFSA-N 0 0 330.424 3.584 50 30 EHEARN N#CCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000006608806 210662442 /nfs/dbraw/zinc/66/24/42/210662442.db2.gz GCXUVJDYMBLZTR-UHFFFAOYSA-N 0 0 327.796 3.655 50 30 EHEARN COc1cc(/C=C\C(=O)Nc2ccc(F)c(F)c2)ccc1OCC#N ZINC000006497890 210641570 /nfs/dbraw/zinc/64/15/70/210641570.db2.gz MMQQTJJBRVCQHI-CLTKARDFSA-N 0 0 344.317 3.528 50 30 EHEARN N#CCCCCS(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000096428306 218801025 /nfs/dbraw/zinc/80/10/25/218801025.db2.gz AOYHWFSDTUWUTO-CVEARBPZSA-N 0 0 340.876 3.589 50 30 EHEARN N#CCCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000096428308 218801791 /nfs/dbraw/zinc/80/17/91/218801791.db2.gz AOYHWFSDTUWUTO-HZPDHXFCSA-N 0 0 340.876 3.589 50 30 EHEARN N#CC(=NNc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000005603795 210499891 /nfs/dbraw/zinc/49/98/91/210499891.db2.gz UJQZSWSSXCXWPH-RGEXLXHISA-N 0 0 328.169 3.623 50 30 EHEARN CN(C(=O)c1coc(Br)c1)c1cc(Cl)ccc1C#N ZINC000096476215 218853560 /nfs/dbraw/zinc/85/35/60/218853560.db2.gz RPBOBJFMYLCOBY-UHFFFAOYSA-N 0 0 339.576 3.844 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@]1(c2ccc(OC)cc2)CCO[C@@](C)(CC)C1 ZINC000004951063 210338293 /nfs/dbraw/zinc/33/82/93/210338293.db2.gz WFBNDJNPEABRFD-YSIASYRMSA-N 0 0 345.439 3.615 50 30 EHEARN Cc1cc(C)c(C(=O)C=Cc2ccc(Br)cc2)c(=O)[nH]1 ZINC000004946918 210336052 /nfs/dbraw/zinc/33/60/52/210336052.db2.gz OVJSTVUYOLMQKB-VMPITWQZSA-N 0 0 332.197 3.650 50 30 EHEARN COc1cc(C#N)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000004837763 210293052 /nfs/dbraw/zinc/29/30/52/210293052.db2.gz BLTYGZOVMGSFMK-UHFFFAOYSA-N 0 0 330.771 3.546 50 30 EHEARN C=C(C)Cn1c(SCC#N)nc2sc3c(c2c1=O)CCCC3 ZINC000004785635 210278868 /nfs/dbraw/zinc/27/88/68/210278868.db2.gz QJSLOUNTPYEBGS-UHFFFAOYSA-N 0 0 331.466 3.529 50 30 EHEARN COc1cnccc1[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000187578833 533147628 /nfs/dbraw/zinc/14/76/28/533147628.db2.gz IEAABWGWOMSTRP-ZDUSSCGKSA-N 0 0 338.411 3.774 50 30 EHEARN COc1cc(/C=C2\Oc3c(cccc3Br)C2=O)ccc1O ZINC000299738333 257985464 /nfs/dbraw/zinc/98/54/64/257985464.db2.gz WSYGYXZOQPLFGA-ZSOIEALJSA-N 0 0 347.164 3.780 50 30 EHEARN CC1(C)CN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]1c1cccnc1 ZINC000291917813 258011753 /nfs/dbraw/zinc/01/17/53/258011753.db2.gz RHESFTULKCDFQD-CQSZACIVSA-N 0 0 332.329 3.955 50 30 EHEARN Cc1nc(S[C@H](C)C(=O)N2CCC(C)CC2)c(C#N)c(C)c1C ZINC000012534492 258054552 /nfs/dbraw/zinc/05/45/52/258054552.db2.gz LYUWTDZHTVUTIZ-OAHLLOKOSA-N 0 0 331.485 3.618 50 30 EHEARN C(=Cc1ccccc1)C=Nn1cnnc1N=NC=CCc1ccccc1 ZINC000013426987 258056210 /nfs/dbraw/zinc/05/62/10/258056210.db2.gz MCOBYYTXIFWZMI-DRNILUHMSA-N 0 0 342.406 3.937 50 30 EHEARN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1C ZINC000015013255 258056535 /nfs/dbraw/zinc/05/65/35/258056535.db2.gz NKIFJHOYDYVPRJ-OQLLNIDSSA-N 0 0 329.400 3.673 50 30 EHEARN CSc1ccc(C)c(C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000069697304 258063789 /nfs/dbraw/zinc/06/37/89/258063789.db2.gz DKTOQFJRZKAIHK-UHFFFAOYSA-N 0 0 325.437 3.668 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000048265723 132426617 /nfs/dbraw/zinc/42/66/17/132426617.db2.gz KFCWVDQYSKJHMS-CYBMUJFWSA-N 0 0 348.362 3.992 50 30 EHEARN CNc1ccc(/C=C2/COc3cc(C)cc(C)c3C2=O)cc1[N+](=O)[O-] ZINC000063411714 262530110 /nfs/dbraw/zinc/53/01/10/262530110.db2.gz GJXSYPYOAPAXRR-ZSOIEALJSA-N 0 0 338.363 3.912 50 30 EHEARN C/C(=N\N[C@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000043761331 518464110 /nfs/dbraw/zinc/46/41/10/518464110.db2.gz VBJBEWQYQUYAPX-ZXOFLVKFSA-N 0 0 339.395 3.822 50 30 EHEARN CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000328591885 518476430 /nfs/dbraw/zinc/47/64/30/518476430.db2.gz KNOQCUDPOHBWBQ-INIZCTEOSA-N 0 0 338.407 3.917 50 30 EHEARN C=C(C)CN(CC)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000058314213 518596056 /nfs/dbraw/zinc/59/60/56/518596056.db2.gz QIEXXVYQSRGAMU-HUUCEWRRSA-N 0 0 349.450 3.869 50 30 EHEARN C=CCCC(=O)N[C@@H](C)c1cnc(N(C)C2CCCCC2)nc1C ZINC000015079543 518697144 /nfs/dbraw/zinc/69/71/44/518697144.db2.gz FKAHEQMAMJORIB-AWEZNQCLSA-N 0 0 330.476 3.697 50 30 EHEARN C=CCc1ccc(OCCOCCOc2ccccc2)c(OC)c1 ZINC000002984292 519137736 /nfs/dbraw/zinc/13/77/36/519137736.db2.gz QOPHKPFKTVUNIU-UHFFFAOYSA-N 0 0 328.408 3.898 50 30 EHEARN C=CCn1c(SCC(=O)OC(C)(C)C)nnc1-c1cccc(C)c1 ZINC000004356320 519228550 /nfs/dbraw/zinc/22/85/50/519228550.db2.gz IUXRLTMCFNGKTM-UHFFFAOYSA-N 0 0 345.468 3.873 50 30 EHEARN N#CCCn1ccc(NC(=O)N2CCCC3(CCCCC3)CC2)n1 ZINC000191429754 534658081 /nfs/dbraw/zinc/65/80/81/534658081.db2.gz BICFUQMKCDDGII-UHFFFAOYSA-N 0 0 329.448 3.765 50 30 EHEARN COc1ccccc1OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000012487019 524653999 /nfs/dbraw/zinc/65/39/99/524653999.db2.gz YXHXZKWFJIVGEC-MOSHPQCFSA-N 0 0 337.419 3.955 50 30 EHEARN COc1cccc(/C=N/CCNc2cc(Cl)ccc2OC)c1O ZINC000004371626 525771046 /nfs/dbraw/zinc/77/10/46/525771046.db2.gz KFNPUCSHZJDRTP-YBFXNURJSA-N 0 0 334.803 3.594 50 30 EHEARN Cc1ccc(C(=O)ONC(=N)Cc2ccc(Cl)cc2Cl)cc1 ZINC000004958126 526237446 /nfs/dbraw/zinc/23/74/46/526237446.db2.gz AUZTWJXYGHZBBX-UHFFFAOYSA-N 0 0 337.206 3.974 50 30 EHEARN Cc1csc(-c2cccc(C(=O)N(CCC#N)CC3CC3)c2)n1 ZINC000096416997 526302029 /nfs/dbraw/zinc/30/20/29/526302029.db2.gz SAKMKCIYXBHRQT-UHFFFAOYSA-N 0 0 325.437 3.884 50 30 EHEARN N#CCCCSc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000007072125 526447834 /nfs/dbraw/zinc/44/78/34/526447834.db2.gz BZHWGXLHMOYNNB-UHFFFAOYSA-N 0 0 327.457 3.653 50 30 EHEARN N#CCSCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000057272838 526477722 /nfs/dbraw/zinc/47/77/22/526477722.db2.gz BSCRAWYGAIEKIN-UHFFFAOYSA-N 0 0 333.800 3.723 50 30 EHEARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCCCC#N)c12 ZINC000036735197 526677925 /nfs/dbraw/zinc/67/79/25/526677925.db2.gz LOZKMOJSBRHFNB-UHFFFAOYSA-N 0 0 339.326 3.798 50 30 EHEARN Cc1nc(C)c(C(=O)NCCc2cnc(SC3CCCC3)nc2)o1 ZINC000328592389 526688623 /nfs/dbraw/zinc/68/86/23/526688623.db2.gz UUJZLNYPRQKQEB-UHFFFAOYSA-N 0 0 346.456 3.663 50 30 EHEARN N#Cc1cccc(C(=O)Nc2ccccc2Cc2nc(C3CC3)no2)c1 ZINC000096119603 526700178 /nfs/dbraw/zinc/70/01/78/526700178.db2.gz CWSZYYAOSSBAJM-UHFFFAOYSA-N 0 0 344.374 3.662 50 30 EHEARN C=CCn1c(Sc2cc(C)nc(C)n2)nnc1-c1ccc(C)cc1 ZINC000133379719 527347131 /nfs/dbraw/zinc/34/71/31/527347131.db2.gz QTQSMQKQWHATSO-UHFFFAOYSA-N 0 0 337.452 3.998 50 30 EHEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000000028281 563211603 /nfs/dbraw/zinc/21/16/03/563211603.db2.gz ZMGPGWNJNGJJJD-RQZCQDPDSA-N 0 0 343.235 3.614 50 30 EHEARN S=C(NCc1ccccc1)N/N=C/c1ccc(-c2ccccc2)o1 ZINC000000450734 563319764 /nfs/dbraw/zinc/31/97/64/563319764.db2.gz LNEZEDWGFDUVHI-KGENOOAVSA-N 0 0 335.432 3.945 50 30 EHEARN Cc1ccc(/N=C2/NC(=O)/C(=C3\c4ccccc4NC3=O)S2)cc1C ZINC000001286776 563382375 /nfs/dbraw/zinc/38/23/75/563382375.db2.gz WBZYYYFWNVIPII-NXVVXOECSA-N 0 0 349.415 3.517 50 30 EHEARN N#C[C@H](NC(=O)CCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000071890196 563421293 /nfs/dbraw/zinc/42/12/93/563421293.db2.gz DOHQHFHLAUNYFX-HNNXBMFYSA-N 0 0 334.206 3.702 50 30 EHEARN O=C1C=C(N2CCN(c3ccccc3)CC2)C[C@H](c2ccccc2)C1 ZINC000002508313 563434923 /nfs/dbraw/zinc/43/49/23/563434923.db2.gz GUUIHBCBDNBBEU-IBGZPJMESA-N 0 0 332.447 3.839 50 30 EHEARN C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O ZINC000034914246 563484305 /nfs/dbraw/zinc/48/43/05/563484305.db2.gz JQTCUTPANVYMOG-UNOMPAQXSA-N 0 0 349.434 3.790 50 30 EHEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccn1 ZINC000008438734 563630114 /nfs/dbraw/zinc/63/01/14/563630114.db2.gz MKKVLRMRVGNZMV-QGZVFWFLSA-N 0 0 330.428 3.727 50 30 EHEARN CCOC(=O)c1c(/N=C/c2ccc(O)cc2O)sc2c1CCC2 ZINC000013126922 563689628 /nfs/dbraw/zinc/68/96/28/563689628.db2.gz KUHASHMLHNOWSX-GIJQJNRQSA-N 0 0 331.393 3.575 50 30 EHEARN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccccc1F ZINC000013497513 563699751 /nfs/dbraw/zinc/69/97/51/563699751.db2.gz YAQYUYOUMZCIBX-UHFFFAOYSA-N 0 0 341.169 3.804 50 30 EHEARN CCc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 ZINC000013653699 563707075 /nfs/dbraw/zinc/70/70/75/563707075.db2.gz FMBJNCHRYAEPBU-WQRHYEAKSA-N 0 0 337.375 3.926 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(C#N)cc1 ZINC000014117621 563742402 /nfs/dbraw/zinc/74/24/02/563742402.db2.gz QKFVPUYILLNJAR-UHFFFAOYSA-N 0 0 344.418 3.633 50 30 EHEARN Cc1ccc(/C=N/N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)o1 ZINC000015016611 563772828 /nfs/dbraw/zinc/77/28/28/563772828.db2.gz IRODYWKRLJXZGD-QBZWNVLOSA-N 0 0 332.406 3.725 50 30 EHEARN COc1ccc(C(=O)C=CNc2cc(Cl)ccc2O)c(OC)c1 ZINC000015684449 563790572 /nfs/dbraw/zinc/79/05/72/563790572.db2.gz ADYKVBOASQZCEU-FPLPWBNLSA-N 0 0 333.771 3.871 50 30 EHEARN CCCCCCNC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000015777251 563792241 /nfs/dbraw/zinc/79/22/41/563792241.db2.gz IYRPOKFCODWZQU-UHFFFAOYSA-N 0 0 344.480 3.992 50 30 EHEARN O=[N+]([O-])c1ccccc1N=NCc1ccc(Br)s1 ZINC000016310535 563808473 /nfs/dbraw/zinc/80/84/73/563808473.db2.gz DIKPRHICCVRALH-QPEQYQDCSA-N 0 0 326.175 3.865 50 30 EHEARN CC[C@@H](C)N(Cc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000069969965 563892452 /nfs/dbraw/zinc/89/24/52/563892452.db2.gz ZPXKEFFOJFQRNW-OAHLLOKOSA-N 0 0 346.434 3.595 50 30 EHEARN O=C(OCC#Cc1ccccc1)c1cc2c(nc3sccn23)s1 ZINC000070006825 563894522 /nfs/dbraw/zinc/89/45/22/563894522.db2.gz YBPRLIXIGURWMX-UHFFFAOYSA-N 0 0 338.413 3.819 50 30 EHEARN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(C#N)cs1 ZINC000177061009 563914595 /nfs/dbraw/zinc/91/45/95/563914595.db2.gz NTDPYUYGHSZQBG-ABAIWWIYSA-N 0 0 346.839 3.875 50 30 EHEARN Cc1ccccc1-c1noc([C@H](C)ON=C(N)Cc2ccccc2)n1 ZINC000072305380 563914766 /nfs/dbraw/zinc/91/47/66/563914766.db2.gz PPTKSQRLFUYJOX-AWEZNQCLSA-N 0 0 336.395 3.638 50 30 EHEARN CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000033011251 563925111 /nfs/dbraw/zinc/92/51/11/563925111.db2.gz YUENYPSUJGGDLK-UHFFFAOYSA-N 0 0 325.437 3.627 50 30 EHEARN CCCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 ZINC000013739167 563932517 /nfs/dbraw/zinc/93/25/17/563932517.db2.gz UHRPWXBLYALQPQ-UHFFFAOYSA-N 0 0 331.485 3.561 50 30 EHEARN Cc1ccccc1SC1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000071388703 563933333 /nfs/dbraw/zinc/93/33/33/563933333.db2.gz OOUAYZSNWCRIPR-UHFFFAOYSA-N 0 0 337.448 3.659 50 30 EHEARN CCc1ccc(NC(=O)[C@@H](C#N)Cc2cc(OC)ccc2OC)cc1 ZINC000057524980 563935687 /nfs/dbraw/zinc/93/56/87/563935687.db2.gz VVPWJAKYIDYESA-MRXNPFEDSA-N 0 0 338.407 3.587 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1OC(F)F ZINC000058305637 563942223 /nfs/dbraw/zinc/94/22/23/563942223.db2.gz LOOBJWLEIVRUTR-GQCTYLIASA-N 0 0 336.338 3.970 50 30 EHEARN CN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C1(C#N)CCC1 ZINC000058368964 563943974 /nfs/dbraw/zinc/94/39/74/563943974.db2.gz OUIFZTGPGPIXGA-UHFFFAOYSA-N 0 0 348.406 3.849 50 30 EHEARN Cc1nccn1CCCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000096433986 563952916 /nfs/dbraw/zinc/95/29/16/563952916.db2.gz DUVCIRMLDLHCEA-UHFFFAOYSA-N 0 0 339.443 3.595 50 30 EHEARN Cc1nnc(SCc2csc(-c3ccccn3)n2)c(C#N)c1C ZINC000097080576 563967231 /nfs/dbraw/zinc/96/72/31/563967231.db2.gz XEPGVAYVBCHCBY-UHFFFAOYSA-N 0 0 339.449 3.776 50 30 EHEARN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@H]2CCn3cncc3C2)cc1 ZINC000328930246 563974443 /nfs/dbraw/zinc/97/44/43/563974443.db2.gz HJGYAPBWWGHYNE-WDSOQIARSA-N 0 0 339.439 3.631 50 30 EHEARN N#Cc1c2c(sc1NC(=O)CN1CC[C@H]3CCCC[C@H]3C1)CCC2 ZINC000247745580 563981341 /nfs/dbraw/zinc/98/13/41/563981341.db2.gz PONCICRLDOWJID-KGLIPLIRSA-N 0 0 343.496 3.559 50 30 EHEARN N#CC1(CCCN2CCC(=O)Nc3cc(F)ccc32)CCOCC1 ZINC000328586668 563984001 /nfs/dbraw/zinc/98/40/01/563984001.db2.gz VLCLWCQKDWFFKO-UHFFFAOYSA-N 0 0 331.391 3.724 50 30 EHEARN N#Cc1cccc(C2(NC(=O)C[C@H](c3ccc(O)cc3)C3CC3)CC2)c1 ZINC000408520972 563993159 /nfs/dbraw/zinc/99/31/59/563993159.db2.gz DFSWXWOAIJHBFB-FQEVSTJZSA-N 0 0 346.430 3.953 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1 ZINC000005128809 563994498 /nfs/dbraw/zinc/99/44/98/563994498.db2.gz XWQOUAAFTLPOSW-JXMROGBWSA-N 0 0 328.364 3.617 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000100737513 563995086 /nfs/dbraw/zinc/99/50/86/563995086.db2.gz WJDUCWWSKQGQHE-OKZBNKHCSA-N 0 0 329.440 3.753 50 30 EHEARN O=C(N[C@@H]1CCCc2sc(Cl)cc21)[C@@H]1CCc2nncn2C1 ZINC000329225242 563996080 /nfs/dbraw/zinc/99/60/80/563996080.db2.gz GBRJSUBEOUZKJP-MWLCHTKSSA-N 0 0 336.848 3.590 50 30 EHEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)c1 ZINC000001023351 564002263 /nfs/dbraw/zinc/00/22/63/564002263.db2.gz GPJGQJWUWZTGPT-ATVHPVEESA-N 0 0 337.448 3.953 50 30 EHEARN CCOc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 ZINC000005129644 564005779 /nfs/dbraw/zinc/00/57/79/564005779.db2.gz ADCZJEGBUWTSQU-FMIVXFBMSA-N 0 0 337.419 3.818 50 30 EHEARN Oc1ccc(Br)cc1/C=N/C1=NN(c2ccccc2)CC1 ZINC000018137838 564018371 /nfs/dbraw/zinc/01/83/71/564018371.db2.gz VZUKCVDVMFZEHP-WOJGMQOQSA-N 0 0 344.212 3.797 50 30 EHEARN COc1ccccc1[C@H]1c2cc3c(cc2NC2=C1C(=O)CCC2)OCO3 ZINC000018196775 564018722 /nfs/dbraw/zinc/01/87/22/564018722.db2.gz MNDOUTCUEJHZRB-FQEVSTJZSA-N 0 0 349.386 3.988 50 30 EHEARN Cc1ccc2[nH]c3c(nc(C)n(/N=C/c4ccccc4F)c3=O)c2c1 ZINC000000523524 564021176 /nfs/dbraw/zinc/02/11/76/564021176.db2.gz FHZXTHMJOOYZGX-UFFVCSGVSA-N 0 0 334.354 3.516 50 30 EHEARN N#C[C@@]1(c2ccc(Br)cc2)CCC(=O)N1c1ccccc1 ZINC000000527995 564021297 /nfs/dbraw/zinc/02/12/97/564021297.db2.gz PTOZHWZNCNEUES-QGZVFWFLSA-N 0 0 341.208 3.995 50 30 EHEARN N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)N1CCCC1 ZINC000103259638 564021962 /nfs/dbraw/zinc/02/19/62/564021962.db2.gz MRWRRFJUIRSVNM-HXUWFJFHSA-N 0 0 346.430 3.540 50 30 EHEARN CCOC(=O)[C@@H](C)Sc1nc(C2CC2)cc(C(F)(F)F)c1C#N ZINC000000544063 564022646 /nfs/dbraw/zinc/02/26/46/564022646.db2.gz NEVSEDPBPVSJSH-MRVPVSSYSA-N 0 0 344.358 3.893 50 30 EHEARN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CC/C=C\c2ccccc2)cc1 ZINC000104173836 564023745 /nfs/dbraw/zinc/02/37/45/564023745.db2.gz SVGATCIHIJEKKZ-STISFXCESA-N 0 0 348.402 3.836 50 30 EHEARN O=C1ON=C(c2ccccc2)C1=CNc1ccc(Br)cc1 ZINC000106547111 564026467 /nfs/dbraw/zinc/02/64/67/564026467.db2.gz GPCYDCZDDCWSMW-GXDHUFHOSA-N 0 0 343.180 3.706 50 30 EHEARN Cc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2)c1 ZINC000046127037 564029619 /nfs/dbraw/zinc/02/96/19/564029619.db2.gz KJYXGJKAKFIIAV-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN Cc1cc(NC(=O)CCc2ccc(C)c(Cl)c2)n(CCC#N)n1 ZINC000048290777 564030554 /nfs/dbraw/zinc/03/05/54/564030554.db2.gz FVMYWSGYBGLCBB-UHFFFAOYSA-N 0 0 330.819 3.638 50 30 EHEARN N#Cc1ccc(N2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000048310750 564030780 /nfs/dbraw/zinc/03/07/80/564030780.db2.gz WQLOSSIVMKFCIM-UHFFFAOYSA-N 0 0 340.358 3.686 50 30 EHEARN COc1ccc(CNc2nc(SCC#N)nc3ccccc32)cc1 ZINC000034138672 564038524 /nfs/dbraw/zinc/03/85/24/564038524.db2.gz XFDBNCLQECHMFU-UHFFFAOYSA-N 0 0 336.420 3.866 50 30 EHEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1 ZINC000248319637 564053103 /nfs/dbraw/zinc/05/31/03/564053103.db2.gz QRYPXLQVHZQIEK-VTYHHJSWSA-N 0 0 347.414 3.990 50 30 EHEARN CC(=O)O[C@H]1C[C@@H]2[C@H]3CCC(=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254877595 564053708 /nfs/dbraw/zinc/05/37/08/564053708.db2.gz WGJULUODXUVWJZ-YZCHDQFTSA-N 0 0 344.451 3.629 50 30 EHEARN N#Cc1cc(F)c(C(=O)N[C@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000182858040 564056372 /nfs/dbraw/zinc/05/63/72/564056372.db2.gz SCTSZVFYAUNYNO-HNNXBMFYSA-N 0 0 346.308 3.619 50 30 EHEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O ZINC000005900662 564056885 /nfs/dbraw/zinc/05/68/85/564056885.db2.gz VBYYOTSYRDYPNY-NVMNQCDNSA-N 0 0 326.348 3.719 50 30 biogenic EHEARN Cc1nc(SCC(=O)NCCC2=CCCCC2)c(C#N)c(C)c1C ZINC000012533874 564058396 /nfs/dbraw/zinc/05/83/96/564058396.db2.gz JWWTVUJIWXVLBV-UHFFFAOYSA-N 0 0 343.496 3.977 50 30 EHEARN N#CC1(c2ccccc2)CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000299768409 564060773 /nfs/dbraw/zinc/06/07/73/564060773.db2.gz NHXUFBROIMZYKH-UHFFFAOYSA-N 0 0 342.446 3.930 50 30 EHEARN C=C(C)CN(CC)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000058314216 564065275 /nfs/dbraw/zinc/06/52/75/564065275.db2.gz QIEXXVYQSRGAMU-GJZGRUSLSA-N 0 0 349.450 3.869 50 30 EHEARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015597605 564069198 /nfs/dbraw/zinc/06/91/98/564069198.db2.gz LVIAAXRCIGYWND-UHFFFAOYSA-N 0 0 338.798 3.762 50 30 EHEARN C=CCC(CC=C)C(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000084638107 564069236 /nfs/dbraw/zinc/06/92/36/564069236.db2.gz HLSCOGQGYIOJKE-UHFFFAOYSA-N 0 0 325.368 3.512 50 30 EHEARN CCC(CC)CN(CCC#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000084727481 564069828 /nfs/dbraw/zinc/06/98/28/564069828.db2.gz IRYFGOTXNMYTQC-UHFFFAOYSA-N 0 0 331.416 3.642 50 30 EHEARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C)o2)c(C#N)c1C ZINC000006046977 564072703 /nfs/dbraw/zinc/07/27/03/564072703.db2.gz XWPGNVMUGQEMIC-BQYQJAHWSA-N 0 0 344.392 3.658 50 30 EHEARN C=CCn1c2ccc(NC(=O)c3cccc(OC)c3)cc2sc1=O ZINC000015865085 564077170 /nfs/dbraw/zinc/07/71/70/564077170.db2.gz OZDIWCGDXFHSHD-UHFFFAOYSA-N 0 0 340.404 3.510 50 30 EHEARN O=C(CCc1ccsc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000024507103 564078849 /nfs/dbraw/zinc/07/88/49/564078849.db2.gz XSCBJHAXDHKQHD-UHFFFAOYSA-N 0 0 337.366 3.867 50 30 EHEARN C[C@H](Sc1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000064038531 564083719 /nfs/dbraw/zinc/08/37/19/564083719.db2.gz DFHNPJSQUGINIV-JTQLQIEISA-N 0 0 344.461 3.933 50 30 EHEARN O=S(=O)(NN=C1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000006338307 564085240 /nfs/dbraw/zinc/08/52/40/564085240.db2.gz INFMVQYGOFHUQB-UHFFFAOYSA-N 0 0 328.437 3.679 50 30 EHEARN N#Cc1ccc(NC(=O)c2cncc(Br)c2)cc1Cl ZINC000012996349 564086043 /nfs/dbraw/zinc/08/60/43/564086043.db2.gz GTHZUTBZGZHZPP-UHFFFAOYSA-N 0 0 336.576 3.621 50 30 EHEARN COc1cc2ncc(C#N)c(Nc3ccc4c(c3)OCO4)c2cc1OC ZINC000064438636 564091324 /nfs/dbraw/zinc/09/13/24/564091324.db2.gz QTWDOJKGNGZTMK-UHFFFAOYSA-N 0 0 349.346 3.596 50 30 EHEARN N#CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000006531190 564091642 /nfs/dbraw/zinc/09/16/42/564091642.db2.gz FKZHBMXNXCLDFJ-UHFFFAOYSA-N 0 0 337.766 3.873 50 30 EHEARN CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000006559464 564092078 /nfs/dbraw/zinc/09/20/78/564092078.db2.gz OGUSERZRPYJRJW-UHFFFAOYSA-N 0 0 335.451 3.926 50 30 EHEARN NC(=NOCc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000065205273 564102655 /nfs/dbraw/zinc/10/26/55/564102655.db2.gz LHWUAKGRRUDKAO-UHFFFAOYSA-N 0 0 330.256 3.821 50 30 EHEARN CC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O ZINC000013144101 564103655 /nfs/dbraw/zinc/10/36/55/564103655.db2.gz ZONLYPIJWOAPRU-HSWSJEDYSA-N 0 0 341.436 3.832 50 30 EHEARN Cc1ccsc1CN(C)C(=O)CSc1nc(C)cc(C)c1C#N ZINC000007096928 564104866 /nfs/dbraw/zinc/10/48/66/564104866.db2.gz MWMOXDKSQTWFLU-UHFFFAOYSA-N 0 0 345.493 3.691 50 30 EHEARN C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1sccc1C#N ZINC000007093841 564104872 /nfs/dbraw/zinc/10/48/72/564104872.db2.gz KKRZLZVRBPBFSM-JTQLQIEISA-N 0 0 342.449 3.626 50 30 EHEARN N#Cc1ccsc1NC(=O)CN1CCCSc2ccccc21 ZINC000007274599 564106319 /nfs/dbraw/zinc/10/63/19/564106319.db2.gz KDJKRJASMLGFCO-UHFFFAOYSA-N 0 0 329.450 3.561 50 30 EHEARN C/C=C/c1ccc(OCC(=O)OCc2cccc(C#N)c2)c(OC)c1 ZINC000007432990 564108481 /nfs/dbraw/zinc/10/84/81/564108481.db2.gz YTJJBGXCDWLQEE-HWKANZROSA-N 0 0 337.375 3.722 50 30 EHEARN C=CCCO[C@H](C)C(=O)Nc1sccc1C(=O)OC(C)(C)C ZINC000170598558 564109222 /nfs/dbraw/zinc/10/92/22/564109222.db2.gz ZNDPVKHOLNZJEH-LLVKDONJSA-N 0 0 325.430 3.623 50 30 EHEARN Cc1cccc(NC(=O)N(CCC#N)Cc2ccccn2)c1Cl ZINC000089688783 564113060 /nfs/dbraw/zinc/11/30/60/564113060.db2.gz XIPBNAGNBXAPDX-UHFFFAOYSA-N 0 0 328.803 3.991 50 30 EHEARN CC(=NNC(=S)NCc1ccccc1)c1nc2ccccc2s1 ZINC000252498240 564119703 /nfs/dbraw/zinc/11/97/03/564119703.db2.gz UXBWGBYFMBVIJO-UHFFFAOYSA-N 0 0 340.477 3.685 50 30 EHEARN Cc1cc(C=NNC(N)=S)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000252619884 564122337 /nfs/dbraw/zinc/12/23/37/564122337.db2.gz LTPHHJOLUDXVHZ-UHFFFAOYSA-N 0 0 341.267 3.568 50 30 EHEARN COc1ccc(N=C2N=C(SC)N(CC#N)C23CCCCC3)cc1 ZINC000252621505 564122869 /nfs/dbraw/zinc/12/28/69/564122869.db2.gz NABFETXHLWLJQK-UHFFFAOYSA-N 0 0 342.468 3.986 50 30 EHEARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C#N)c1 ZINC000007794089 564123427 /nfs/dbraw/zinc/12/34/27/564123427.db2.gz WZVOYNIKFIQSKN-UHFFFAOYSA-N 0 0 333.313 3.895 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004081192 564128928 /nfs/dbraw/zinc/12/89/28/564128928.db2.gz UQVIXFCYKBWZPJ-URZBOBFWSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)[C@H](C)CC[C@@]23CCC(=O)[C@]21O3)C(=O)CC ZINC000043762391 564129211 /nfs/dbraw/zinc/12/92/11/564129211.db2.gz IKLCRHMVXJGFCE-ZXDAGGQSSA-N 0 0 348.483 3.870 50 30 EHEARN N#Cc1ccccc1OCc1cccc(I)c1 ZINC000002879237 564130598 /nfs/dbraw/zinc/13/05/98/564130598.db2.gz ODMPBHXRQVENQS-UHFFFAOYSA-N 0 0 335.144 3.742 50 30 EHEARN CC1=C(Br)CN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000253429950 564131261 /nfs/dbraw/zinc/13/12/61/564131261.db2.gz DNAGSFICSGFHBD-HNNXBMFYSA-N 0 0 347.256 3.975 50 30 EHEARN Cc1ccc(-c2nc(C#N)c(NCc3cccc4c3OCO4)o2)cc1 ZINC000000467822 564133281 /nfs/dbraw/zinc/13/32/81/564133281.db2.gz MWKQSYWNHJIMTP-UHFFFAOYSA-N 0 0 333.347 3.863 50 30 EHEARN Cc1sc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000000505934 564133341 /nfs/dbraw/zinc/13/33/41/564133341.db2.gz GOIZNVJUBKTVFE-UHFFFAOYSA-N 0 0 343.477 3.980 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000002372745 564133885 /nfs/dbraw/zinc/13/38/85/564133885.db2.gz KMKMPWOJZGIIHH-GOSISDBHSA-N 0 0 347.370 3.533 50 30 EHEARN Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)c1 ZINC000077425599 564134256 /nfs/dbraw/zinc/13/42/56/564134256.db2.gz WEIBIJQIZKKMNU-SFHVURJKSA-N 0 0 334.419 3.798 50 30 EHEARN Cc1ccccc1OC1CCN(C(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000077452506 564134261 /nfs/dbraw/zinc/13/42/61/564134261.db2.gz JHAFSNQRLWIYNL-UHFFFAOYSA-N 0 0 338.382 3.689 50 30 EHEARN O=C(C/C=N\OCc1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000012957771 564135728 /nfs/dbraw/zinc/13/57/28/564135728.db2.gz FWDHJKODFVODIL-ZDLGFXPLSA-N 0 0 348.742 3.746 50 30 EHEARN CC(C)N(C)c1ccccc1NC(=O)CN(C)C(=O)c1cccs1 ZINC000328589970 564136685 /nfs/dbraw/zinc/13/66/85/564136685.db2.gz PTBXKJDNXFNMRD-UHFFFAOYSA-N 0 0 345.468 3.953 50 30 EHEARN C#CCOc1ccc(N(C)C(=O)c2cccc(SCC#N)c2)cc1 ZINC000079472282 564138215 /nfs/dbraw/zinc/13/82/15/564138215.db2.gz QVJOUVUMRPXMJS-UHFFFAOYSA-N 0 0 336.416 3.591 50 30 EHEARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cc(C#N)cs1 ZINC000095417613 564139765 /nfs/dbraw/zinc/13/97/65/564139765.db2.gz IKAFQKNPDNZRFL-INIZCTEOSA-N 0 0 346.427 3.591 50 30 EHEARN C=CCC[C@H](C)Sc1nc2ccccc2c(=O)n1CCCOC ZINC000095460193 564140763 /nfs/dbraw/zinc/14/07/63/564140763.db2.gz VHUTUUWEARYNRZ-AWEZNQCLSA-N 0 0 332.469 3.880 50 30 EHEARN Cc1noc(C)c1CCC(=O)Nc1ccccc1SCCC#N ZINC000095953498 564142438 /nfs/dbraw/zinc/14/24/38/564142438.db2.gz JZECZULCANKQHJ-UHFFFAOYSA-N 0 0 329.425 3.869 50 30 EHEARN CCOc1ccc(NC(=O)N2CCC[C@H](CCCOC)C2)cc1C#N ZINC000096166887 564145802 /nfs/dbraw/zinc/14/58/02/564145802.db2.gz QXTIKKJOVKMHCW-OAHLLOKOSA-N 0 0 345.443 3.627 50 30 EHEARN Cn1ncc2c1CC/C(=C/c1csc(-c3cccs3)n1)C2=O ZINC000096292702 564146482 /nfs/dbraw/zinc/14/64/82/564146482.db2.gz RACUIBVHXVPVRR-YFHOEESVSA-N 0 0 327.434 3.818 50 30 EHEARN COc1cccc(-c2nc(C#N)c(NCCc3cccs3)o2)c1 ZINC000096346365 564146834 /nfs/dbraw/zinc/14/68/34/564146834.db2.gz LPKPACSOYZUBBG-UHFFFAOYSA-N 0 0 325.393 3.938 50 30 EHEARN C=CCO[C@@H](C)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000096408289 564147481 /nfs/dbraw/zinc/14/74/81/564147481.db2.gz NRYXRAXEGPEMMP-IZHWHUGBSA-N 0 0 349.496 3.798 50 30 EHEARN N#Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000002653355 564151927 /nfs/dbraw/zinc/15/19/27/564151927.db2.gz OPXWXKTVGSAFAV-UHFFFAOYSA-N 0 0 349.173 3.661 50 30 EHEARN CC[C@@](C)(C#N)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000008130421 564162994 /nfs/dbraw/zinc/16/29/94/564162994.db2.gz UVLFJVFPOZIAPX-HNNXBMFYSA-N 0 0 339.178 3.522 50 30 EHEARN O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cccc2ccccc21 ZINC000008643138 564166191 /nfs/dbraw/zinc/16/61/91/564166191.db2.gz WPTXITKXQDICNQ-XNHPLOEXSA-N 0 0 349.415 3.597 50 30 EHEARN C[C@H](Oc1ccc(F)c(F)c1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000068723460 564167669 /nfs/dbraw/zinc/16/76/69/564167669.db2.gz USEGFNYIXSTTND-CMPLNLGQSA-N 0 0 342.301 3.750 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)c1ccc(F)cc1Cl ZINC000069664236 564171349 /nfs/dbraw/zinc/17/13/49/564171349.db2.gz SMPWPYTTXHBPQQ-UHFFFAOYSA-N 0 0 333.750 3.809 50 30 EHEARN CC(=O)Nc1ccc(Br)cc1NCc1ccc(C#N)cc1 ZINC000069970917 564172971 /nfs/dbraw/zinc/17/29/71/564172971.db2.gz TVQDMUDFVCDIAT-UHFFFAOYSA-N 0 0 344.212 3.891 50 30 EHEARN COc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000255156836 1018405324 /nfs/dbraw/zinc/40/53/24/1018405324.db2.gz MJIAOPBNPICKSW-JLHYYAGUSA-N 0 0 325.320 3.652 50 30 EHEARN C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C1=O ZINC000016225465 1025543514 /nfs/dbraw/zinc/54/35/14/1025543514.db2.gz UTEHWKMFASBCDU-YBEGLDIGSA-N 0 0 339.420 3.711 50 30 EHEARN Cc1cccn2cc(CNC(=O)Nc3nc4c(s3)CCCC4)nc12 ZINC000329326322 1038685569 /nfs/dbraw/zinc/68/55/69/1038685569.db2.gz UBZUGBUSNLDXES-UHFFFAOYSA-N 0 0 341.440 3.504 50 30 EHEARN CN=c1scc(-c2ccc(F)cc2)n1N=Cc1ccc(F)cc1 ZINC000254303914 1038896399 /nfs/dbraw/zinc/89/63/99/1038896399.db2.gz NLHQDDCHZHLVFC-UHFFFAOYSA-N 0 0 329.375 3.908 50 30 EHEARN Cc1nc2sccc2c(=O)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000254441122 1039791661 /nfs/dbraw/zinc/79/16/61/1039791661.db2.gz JGNNWVMAHMZCJI-UHFFFAOYSA-N 0 0 338.219 3.955 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)CCO[C@](C)(CC)C1 ZINC000004951070 1042693490 /nfs/dbraw/zinc/69/34/90/1042693490.db2.gz LQFZXZWNYQBDOY-DFQSSKMNSA-N 0 0 329.440 3.915 50 30 EHEARN COc1ccc(/C=C2/COc3c(C)cccc3C2=O)c(OC)c1OC ZINC000063279333 1126905744 /nfs/dbraw/zinc/90/57/44/1126905744.db2.gz BPLJPMRRQWZFJT-UVTDQMKNSA-N 0 0 340.375 3.680 50 30 EHEARN CC(=CC(O)=C(C#N)C(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000101495441 1127786540 /nfs/dbraw/zinc/78/65/40/1127786540.db2.gz WRRYWTCMCKCHCN-OJNOIJSXSA-N 0 0 344.842 3.901 50 30 EHEARN CC(C)(C)c1ccc(C=NNC(=S)NCc2ccccc2)cc1 ZINC000012488626 1130055585 /nfs/dbraw/zinc/05/55/85/1130055585.db2.gz WXKKXAMHSBCZEU-UHFFFAOYSA-N 0 0 325.481 3.982 50 30 aggregator EHEARN COc1ccc2[nH]c3c(c2c1)CCN(C)C(C(=O)c1ccccc1)=C3 ZINC000824758600 1131216631 /nfs/dbraw/zinc/21/66/31/1131216631.db2.gz MNQYAGQNHDJGOC-UHFFFAOYSA-N 0 0 332.403 3.888 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC[C@H]2c2ccccc2OC)N=N1 ZINC000952880817 1137483159 /nfs/dbraw/zinc/48/31/59/1137483159.db2.gz ISFKOCSLYMGNAZ-INIZCTEOSA-N 0 0 325.412 3.714 50 30 EHEARN C#CCCC1(CCC(=O)NCC2(c3ccccc3Cl)CC2)N=N1 ZINC000952879901 1137483171 /nfs/dbraw/zinc/48/31/71/1137483171.db2.gz CCFIUHMLNOGBAY-UHFFFAOYSA-N 0 0 329.831 3.844 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCO3)N=N1 ZINC000952879687 1137483238 /nfs/dbraw/zinc/48/32/38/1137483238.db2.gz GJFFGAHUCCJGLQ-CQSZACIVSA-N 0 0 325.412 3.545 50 30 EHEARN C#CCCC1(CCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)N=N1 ZINC000952882189 1137483444 /nfs/dbraw/zinc/48/34/44/1137483444.db2.gz SDQGDUKQDXNMCM-ZBFHGGJFSA-N 0 0 327.403 3.886 50 30 EHEARN NC(=O)C(C(=O)/C=C/c1ccc(Cl)cc1Cl)=C1SCS1 ZINC000051329739 214088674 /nfs/dbraw/zinc/08/86/74/214088674.db2.gz HYGSPZAKSGPVFF-DUXPYHPUSA-N 0 0 346.260 3.710 50 30 EHEARN Cc1ccccc1/C=C/C(=O)c1cc(Br)ccc(=O)c1O ZINC000004667446 210241633 /nfs/dbraw/zinc/24/16/33/210241633.db2.gz NZTKYQUXGHRSRW-SOFGYWHQSA-N 0 0 345.192 3.719 50 30 EHEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000100102367 219091362 /nfs/dbraw/zinc/09/13/62/219091362.db2.gz TWZNZPQNHHVXSK-KRWDZBQOSA-N 0 0 345.464 3.915 50 30 EHEARN N#CC1(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)CCCCC1 ZINC000004484994 210199525 /nfs/dbraw/zinc/19/95/25/210199525.db2.gz ARAJGIRZDFAJKA-UHFFFAOYSA-N 0 0 348.859 3.651 50 30 EHEARN CN(C)/C=N/c1nnc(SCc2c(F)cccc2Cl)s1 ZINC000004323345 210170681 /nfs/dbraw/zinc/17/06/81/210170681.db2.gz IMBAEEDSJUOFDX-VIZOYTHASA-N 0 0 330.841 3.844 50 30 EHEARN CCN(CC)C1=C(N(C)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000004140284 210130339 /nfs/dbraw/zinc/13/03/39/210130339.db2.gz PIJVIKRPEPEZJY-UHFFFAOYSA-N 0 0 334.419 3.755 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033483 210104960 /nfs/dbraw/zinc/10/49/60/210104960.db2.gz IOFVDWAGXMJKFD-QGZVFWFLSA-N 0 0 331.419 3.738 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033430 210105163 /nfs/dbraw/zinc/10/51/63/210105163.db2.gz AEINTAGBIPOFHC-AWEZNQCLSA-N 0 0 335.382 3.882 50 30 EHEARN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Cl)cc1 ZINC000003585343 210059467 /nfs/dbraw/zinc/05/94/67/210059467.db2.gz CIYAANUCKPXTQT-UHFFFAOYSA-N 0 0 348.233 3.936 50 30 EHEARN C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)n1ccnc1 ZINC000066840712 215084985 /nfs/dbraw/zinc/08/49/85/215084985.db2.gz WOXRTIDGBFYYGG-CQSZACIVSA-N 0 0 332.363 3.747 50 30 EHEARN C=C(C)COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)cc1OCC ZINC000102730478 219225124 /nfs/dbraw/zinc/22/51/24/219225124.db2.gz OQHVXMVHUQRNIW-PIIMJCKOSA-N 0 0 331.456 3.528 50 30 EHEARN Cc1ccc(NC(=O)COc2ccccc2C#N)c(Br)c1 ZINC000003344185 210013153 /nfs/dbraw/zinc/01/31/53/210013153.db2.gz FZOMWRXITIMWIL-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN Cc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000067282993 215130153 /nfs/dbraw/zinc/13/01/53/215130153.db2.gz UDIVHXDXYLOHHM-SFHVURJKSA-N 0 0 339.370 3.611 50 30 EHEARN Cc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000067282992 215130472 /nfs/dbraw/zinc/13/04/72/215130472.db2.gz JYHVWLAAXVSQNN-GOSISDBHSA-N 0 0 339.370 3.611 50 30 EHEARN N#C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000068455282 215310156 /nfs/dbraw/zinc/31/01/56/215310156.db2.gz APTJMDDHHLMWTE-SMDDNHRTSA-N 0 0 327.211 3.633 50 30 EHEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC000002071935 209817784 /nfs/dbraw/zinc/81/77/84/209817784.db2.gz IMYZWLVKODBMAE-SNVBAGLBSA-N 0 0 338.498 3.522 50 30 EHEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCOC3)sc2C1 ZINC000069322990 215378044 /nfs/dbraw/zinc/37/80/44/215378044.db2.gz JGWSCLAZFUFWOP-RYUDHWBXSA-N 0 0 332.469 3.746 50 30 EHEARN CC(C)CCOc1ccc(CN2c3ccccc3/C(=N/[O-])C2=O)cc1 ZINC000039853874 213241900 /nfs/dbraw/zinc/24/19/00/213241900.db2.gz ZTWAKSKKNSANDO-VZCXRCSSSA-N 0 0 338.407 3.837 50 30 EHEARN COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(C#N)cc2)cc1 ZINC000036354425 213087801 /nfs/dbraw/zinc/08/78/01/213087801.db2.gz WDEOORVIVKFLIW-KRWDZBQOSA-N 0 0 344.374 3.876 50 30 EHEARN O=C1CSC(=S)N1/N=C\c1cccc(Oc2ccccc2)c1 ZINC000035624505 213044316 /nfs/dbraw/zinc/04/43/16/213044316.db2.gz BHLKMDMHVAEKNN-YVLHZVERSA-N 0 0 328.418 3.673 50 30 EHEARN CCn1cc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000072135225 216023266 /nfs/dbraw/zinc/02/32/66/216023266.db2.gz INRPXWLANPAENW-SFHVURJKSA-N 0 0 347.422 3.767 50 30 EHEARN N#Cc1cccnc1N[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000072424910 216214610 /nfs/dbraw/zinc/21/46/10/216214610.db2.gz XEMXVDPHECALCN-AWEZNQCLSA-N 0 0 335.436 3.644 50 30 EHEARN Cc1nn2c(nc(-c3ccccc3)cc2N2CCC[C@H](C#N)C2)c1C ZINC000072478917 216258864 /nfs/dbraw/zinc/25/88/64/216258864.db2.gz IRKZYMVSPQWVAJ-MRXNPFEDSA-N 0 0 331.423 3.753 50 30 EHEARN Cc1ccc(C#N)c(SCC(=O)Nc2cccc3ncccc32)n1 ZINC000215677597 241137267 /nfs/dbraw/zinc/13/72/67/241137267.db2.gz ZDASZUNQOLAQKC-UHFFFAOYSA-N 0 0 334.404 3.541 50 30 EHEARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(C#N)cc1 ZINC000021052061 212203701 /nfs/dbraw/zinc/20/37/01/212203701.db2.gz FDVOXODMGBRWTC-UHFFFAOYSA-N 0 0 336.782 3.958 50 30 EHEARN N#Cc1cnc(N2CCC[C@@H]2c2cc(F)cc(Br)c2)cn1 ZINC000241644590 242997345 /nfs/dbraw/zinc/99/73/45/242997345.db2.gz PRZFDGWXJDLIKD-CQSZACIVSA-N 0 0 347.191 3.591 50 30 EHEARN CC1CC[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)CC1 ZINC000020503791 212141644 /nfs/dbraw/zinc/14/16/44/212141644.db2.gz BWHHEFUSEHUSBS-WQRHYEAKSA-N 0 0 339.391 3.833 50 30 biogenic EHEARN N#Cc1ccccc1CNc1ccccc1I ZINC000020360856 212122089 /nfs/dbraw/zinc/12/20/89/212122089.db2.gz MQHOZJSOHOWOHE-UHFFFAOYSA-N 0 0 334.160 3.775 50 30 EHEARN Cc1cc(NC(=O)c2cc(Cl)sc2Cl)n(CCC#N)n1 ZINC000049423948 214007100 /nfs/dbraw/zinc/00/71/00/214007100.db2.gz AZCRAVAFIKMGBM-UHFFFAOYSA-N 0 0 329.212 3.726 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000019301113 212014120 /nfs/dbraw/zinc/01/41/20/212014120.db2.gz ARAVPLZBYJJCJG-KRWDZBQOSA-N 0 0 345.464 3.915 50 30 EHEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1OC ZINC000016693382 211928946 /nfs/dbraw/zinc/92/89/46/211928946.db2.gz YCLBAPJEFDBZNN-WJDWOHSUSA-N 0 0 340.404 3.595 50 30 EHEARN Cc1nnc(-c2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)o1 ZINC000078971835 217161989 /nfs/dbraw/zinc/16/19/89/217161989.db2.gz UBRNJQIDEWSKEH-UHFFFAOYSA-N 0 0 338.754 3.822 50 30 EHEARN CC(C)N(Cc1cccnc1)C(=O)c1ccc(N2CCCC2)c(C#N)c1 ZINC000079361609 217216151 /nfs/dbraw/zinc/21/61/51/217216151.db2.gz BSLWNWGCJVKLMF-UHFFFAOYSA-N 0 0 348.450 3.604 50 30 EHEARN C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000087049168 217709629 /nfs/dbraw/zinc/70/96/29/217709629.db2.gz SEIBNMYXIUCODT-MRXNPFEDSA-N 0 0 348.450 3.719 50 30 EHEARN N#Cc1ccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000012948617 211491986 /nfs/dbraw/zinc/49/19/86/211491986.db2.gz PEDDACJTQUNLOQ-IBGZPJMESA-N 0 0 340.810 3.858 50 30 EHEARN C=CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000011955726 211273739 /nfs/dbraw/zinc/27/37/39/211273739.db2.gz NAPAPUHAFVBXTF-HXUWFJFHSA-N 0 0 348.437 3.746 50 30 EHEARN N#Cc1c2c(sc1NC(=O)CSc1ncccc1Cl)CCC2 ZINC000011033544 211200433 /nfs/dbraw/zinc/20/04/33/211200433.db2.gz QMRAYCJMFBDGGA-UHFFFAOYSA-N 0 0 349.868 3.888 50 30 EHEARN O=C(C=CNc1ccc([N+](=O)[O-])cc1Br)c1ccncc1 ZINC000009519984 211097160 /nfs/dbraw/zinc/09/71/60/211097160.db2.gz PBPQAHLLIRUYLD-YVMONPNESA-N 0 0 348.156 3.561 50 30 EHEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000009088595 211038670 /nfs/dbraw/zinc/03/86/70/211038670.db2.gz UDOPPWUOKCGGIJ-OXQOHEQNSA-N 0 0 342.402 3.694 50 30 EHEARN C=CCN1c2cc(NC(=O)C(C)(C)C)ccc2OCC(C)(C)C1=O ZINC000008959557 211022713 /nfs/dbraw/zinc/02/27/13/211022713.db2.gz LCFAKQSRVQXWIP-UHFFFAOYSA-N 0 0 330.428 3.609 50 30 EHEARN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cc2ccccc2oc1=O ZINC000008751816 210999440 /nfs/dbraw/zinc/99/94/40/210999440.db2.gz KFYJQTSDPPVUTJ-ZHACJKMWSA-N 0 0 342.354 3.875 50 30 EHEARN N#Cc1cccc(NC(=O)COc2cccc(Oc3cccnc3)c2)c1 ZINC000095455648 218398509 /nfs/dbraw/zinc/39/85/09/218398509.db2.gz SZAASNDCZCPRLL-UHFFFAOYSA-N 0 0 345.358 3.763 50 30 EHEARN N#Cc1ccsc1NC(=O)CSc1ccc2c(c1)OCCCO2 ZINC000006436779 210633957 /nfs/dbraw/zinc/63/39/57/210633957.db2.gz XOHGKYOYGKOBJR-UHFFFAOYSA-N 0 0 346.433 3.512 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000006407280 210630056 /nfs/dbraw/zinc/63/00/56/210630056.db2.gz WVJHYIFSSRIKQB-GOSISDBHSA-N 0 0 333.387 3.759 50 30 EHEARN CN(Cc1cccc(Cl)c1Cl)C(=O)COc1ccc(C#N)cc1 ZINC000006288033 210612464 /nfs/dbraw/zinc/61/24/64/210612464.db2.gz QNFXIXDJKWITFD-UHFFFAOYSA-N 0 0 349.217 3.902 50 30 EHEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O ZINC000005387994 210455115 /nfs/dbraw/zinc/45/51/15/210455115.db2.gz JZFZZWYITYTNFP-IUXPMGMMSA-N 0 0 328.751 3.924 50 30 biogenic EHEARN N#Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000005123965 210394744 /nfs/dbraw/zinc/39/47/44/210394744.db2.gz RRKVGDWVHKFVNS-MHWRWJLKSA-N 0 0 336.441 3.960 50 30 EHEARN C=CCOc1ccc(/C=C2\Oc3ccc(C(=O)OC)cc3C2=O)cc1 ZINC000005047805 210374388 /nfs/dbraw/zinc/37/43/88/210374388.db2.gz AHNXAHUSBYWGKH-WQRHYEAKSA-N 0 0 336.343 3.654 50 30 biogenic,in-vitro EHEARN CNC(=O)c1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000096997836 257839497 /nfs/dbraw/zinc/83/94/97/257839497.db2.gz SLFLBTVXYPLHGW-WCIBSUBMSA-N 0 0 331.318 3.544 50 30 EHEARN CSc1cccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)c1 ZINC000000170824 258047780 /nfs/dbraw/zinc/04/77/80/258047780.db2.gz QYOLSRZCTTWGBV-UHFFFAOYSA-N 0 0 339.420 3.883 50 30 EHEARN CC(C)[C@H](C(=O)NCCN1CCc2sccc2C1)c1cccnc1 ZINC000328596047 258042972 /nfs/dbraw/zinc/04/29/72/258042972.db2.gz PNQWCMWQDPXSHJ-SFHVURJKSA-N 0 0 343.496 3.898 50 30 EHEARN Cn1cc(CCC(=O)Nc2nc(-c3ccccc3F)cs2)cn1 ZINC000330031876 258002997 /nfs/dbraw/zinc/00/29/97/258002997.db2.gz FISTZIGWUNHWKX-UHFFFAOYSA-N 0 0 330.388 3.904 50 30 EHEARN C=CCNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc21 ZINC000002299984 258017309 /nfs/dbraw/zinc/01/73/09/258017309.db2.gz UDEAEZDMRKKIPC-UHFFFAOYSA-N 0 0 349.438 3.588 50 30 EHEARN C=CCNC(=O)CSc1nc2ccccc2n1C1CCCCC1 ZINC000010398270 258017746 /nfs/dbraw/zinc/01/77/46/258017746.db2.gz GYYCTWBFHFCBNC-UHFFFAOYSA-N 0 0 329.469 3.936 50 30 EHEARN CCN(CC)c1ccc(CN=NC(=S)NCc2ccccc2)cc1 ZINC000013470893 258056138 /nfs/dbraw/zinc/05/61/38/258056138.db2.gz GEMVZPHXNBBWMU-RCCKNPSSSA-N 0 0 340.496 3.942 50 30 EHEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccn1 ZINC000019923580 258057032 /nfs/dbraw/zinc/05/70/32/258057032.db2.gz JTPWWFXDXIKOGW-RHSMWYFYSA-N 0 0 330.428 3.582 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257346061 258073522 /nfs/dbraw/zinc/07/35/22/258073522.db2.gz PWCLWZOSAFOXFL-PTAHHKKXSA-N 0 0 330.468 3.694 50 30 EHEARN C#CCOc1ccccc1C=C1SC(NC2CCCCC2)=NC1=O ZINC000007209264 518333064 /nfs/dbraw/zinc/33/30/64/518333064.db2.gz ZFODLUANYMWCNS-LGMDPLHJSA-N 0 0 340.448 3.591 50 30 EHEARN C=C(C)COc1ccc(C(=O)NCc2cc(CC(C)C)on2)cc1 ZINC000055167151 518613818 /nfs/dbraw/zinc/61/38/18/518613818.db2.gz SQHJHNGOYXLCPZ-UHFFFAOYSA-N 0 0 328.412 3.758 50 30 EHEARN C=CCOc1ccccc1/C=C1/N=C(c2cccc(OC)c2)OC1=O ZINC000002071988 519066212 /nfs/dbraw/zinc/06/62/12/519066212.db2.gz ANESMYKMBPHOEU-GHRIWEEISA-N 0 0 335.359 3.605 50 30 EHEARN CC(=O)N1CC[C@@H](CNC(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000328591739 519607906 /nfs/dbraw/zinc/60/79/06/519607906.db2.gz DDORUNVARWXXKL-HNNXBMFYSA-N 0 0 348.512 3.901 50 30 EHEARN COC(=O)c1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000033472233 521936747 /nfs/dbraw/zinc/93/67/47/521936747.db2.gz QAJWRMHKKTVHNT-WCIBSUBMSA-N 0 0 332.302 3.971 50 30 EHEARN COC(=O)CCCCCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000008704516 522993119 /nfs/dbraw/zinc/99/31/19/522993119.db2.gz JSKHEQIXUXWRBB-UHFFFAOYSA-N 0 0 349.430 3.550 50 30 EHEARN Cc1cccc(C(=O)ONC(=N)Cc2ccc(Cl)cc2Cl)c1 ZINC000004985883 524224054 /nfs/dbraw/zinc/22/40/54/524224054.db2.gz PVHMNNMXCXOXEB-UHFFFAOYSA-N 0 0 337.206 3.974 50 30 EHEARN Cc1cccc(CSCC(=O)Nc2n[nH]c(C(F)(F)F)n2)c1 ZINC000026255210 524456643 /nfs/dbraw/zinc/45/66/43/524456643.db2.gz AGEODBBGVGFOJT-UHFFFAOYSA-N 0 0 330.335 3.653 50 30 EHEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCOCC2)c1C(C)C ZINC000000045610 525532115 /nfs/dbraw/zinc/53/21/15/525532115.db2.gz WQZYPZYUVBREPP-UHFFFAOYSA-N 0 0 334.423 3.628 50 30 EHEARN Cc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000023609692 525551988 /nfs/dbraw/zinc/55/19/88/525551988.db2.gz MOYOOGMAVQTCAX-VAWYXSNFSA-N 0 0 333.347 3.985 50 30 EHEARN COc1ccc2oc(C)c(C(=O)N(CCC#N)Cc3ccco3)c2c1 ZINC000058185764 525685108 /nfs/dbraw/zinc/68/51/08/525685108.db2.gz OJEOKGIQXSLVMT-UHFFFAOYSA-N 0 0 338.363 3.899 50 30 EHEARN Cc1c(Cl)cccc1OCc1ccc(C=NN2CN=NC2=S)o1 ZINC000036611106 525782355 /nfs/dbraw/zinc/78/23/55/525782355.db2.gz XKSTZTVMTWERQA-CNHKJKLMSA-N 0 0 348.815 3.583 50 30 EHEARN N#C[C@@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1Cl ZINC000252489033 526496251 /nfs/dbraw/zinc/49/62/51/526496251.db2.gz JDWAYDBPBYUCTK-RHSMWYFYSA-N 0 0 338.794 3.781 50 30 EHEARN N#C[C@@H]1CCC[C@H](Nc2cccc(C(=O)NCc3ccccn3)c2)C1 ZINC000193100917 526501695 /nfs/dbraw/zinc/50/16/95/526501695.db2.gz NSCYIDXAYITMMF-WBVHZDCISA-N 0 0 334.423 3.506 50 30 EHEARN C=C(C)COc1cc(CNc2ccc(C(=O)NC)cc2)ccc1OC ZINC000170615593 526663063 /nfs/dbraw/zinc/66/30/63/526663063.db2.gz ZLPVTOISZLWULQ-UHFFFAOYSA-N 0 0 340.423 3.622 50 30 EHEARN O=C1N/C(=N\c2ccc(F)cc2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000015659937 527043620 /nfs/dbraw/zinc/04/36/20/527043620.db2.gz BZTBRQPKYGDZOX-CQSZACIVSA-N 0 0 334.803 3.941 50 30 EHEARN C=CCn1c(SCc2cc(C)cc(C)c2)nnc1-c1cnccn1 ZINC000157824315 527342495 /nfs/dbraw/zinc/34/24/95/527342495.db2.gz YEIAZGMKSIEEFK-UHFFFAOYSA-N 0 0 337.452 3.830 50 30 EHEARN O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1nc[nH]n1 ZINC000023142086 527587578 /nfs/dbraw/zinc/58/75/78/527587578.db2.gz XRYUKLYKUHSDGQ-UHFFFAOYSA-N 0 0 328.759 3.792 50 30 EHEARN O=C(/C=C/c1cccc(Br)c1)c1cn2ccccc2n1 ZINC000328594304 527624520 /nfs/dbraw/zinc/62/45/20/527624520.db2.gz YLFLDKRANSVXEZ-BQYQJAHWSA-N 0 0 327.181 3.993 50 30 EHEARN S=C(N/N=C/c1ccccn1)Nc1ccc(Cl)cc1Cl ZINC000000547460 564022757 /nfs/dbraw/zinc/02/27/57/564022757.db2.gz WMAOELFAHZGETP-CAOOACKPSA-N 0 0 325.224 3.709 50 30 EHEARN Cc1ccn2c(cc(-c3ccc(Cl)cc3)c2/C=N/NC(N)=S)c1 ZINC000000177571 563253380 /nfs/dbraw/zinc/25/33/80/563253380.db2.gz PFICQAKNROMYEN-KEBDBYFISA-N 0 0 342.855 3.735 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 ZINC000000218725 563262212 /nfs/dbraw/zinc/26/22/12/563262212.db2.gz IBPFSPTWXZBHSO-KRWDZBQOSA-N 0 0 343.448 3.549 50 30 EHEARN COC1(OC)OC2=C(c3cccc4cccc2c34)C(C#N)(C#N)[C@@H]1C ZINC000000340756 563286242 /nfs/dbraw/zinc/28/62/42/563286242.db2.gz SJGVLYLFECUNFJ-LBPRGKRZSA-N 0 0 332.359 3.668 50 30 EHEARN CN(C)/C=C(\C(=O)C(F)(F)F)c1ccc2ccccc2c1[N+](=O)[O-] ZINC000003048951 563470334 /nfs/dbraw/zinc/47/03/34/563470334.db2.gz KVZDJXKRAJTRIS-LCYFTJDESA-N 0 0 338.285 3.782 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000005728229 563547741 /nfs/dbraw/zinc/54/77/41/563547741.db2.gz PKPQUPRPPZPZET-HNNXBMFYSA-N 0 0 345.757 3.687 50 30 EHEARN O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(=O)[nH]c(=S)[nH]c1N2 ZINC000005818932 563551472 /nfs/dbraw/zinc/55/14/72/563551472.db2.gz SYDKXZKEYXLAOO-LBPRGKRZSA-N 0 0 343.383 3.548 50 30 EHEARN O=C1N/C(=N/N=C/c2ccccc2)S[C@H]1Cc1cccc(Cl)c1 ZINC000006222630 563561749 /nfs/dbraw/zinc/56/17/49/563561749.db2.gz OTFBKBZBRRXXFU-BKQORJHRSA-N 0 0 343.839 3.504 50 30 EHEARN O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2 ZINC000006498864 563570345 /nfs/dbraw/zinc/57/03/45/563570345.db2.gz FDNVTCDQGOVLPM-UHFFFAOYSA-N 0 0 336.395 3.519 50 30 EHEARN C=CCSCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000071916588 563621733 /nfs/dbraw/zinc/62/17/33/563621733.db2.gz QFDPLPFTLJUUQG-INIZCTEOSA-N 0 0 345.443 3.799 50 30 EHEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c(OC)c1 ZINC000013727501 563719201 /nfs/dbraw/zinc/71/92/01/563719201.db2.gz LWPGYMIAVQFYDC-QGZVFWFLSA-N 0 0 340.379 3.565 50 30 EHEARN N#Cc1ccccc1S(=O)(=O)Oc1ccccc1-c1ccccc1 ZINC000016090245 563803119 /nfs/dbraw/zinc/80/31/19/563803119.db2.gz OZGFZZQAICTTIO-UHFFFAOYSA-N 0 0 335.384 3.993 50 30 EHEARN Cc1ccc(C(=O)C(C#N)=NNc2ccc(Br)cc2)cc1 ZINC000017201617 563840681 /nfs/dbraw/zinc/84/06/81/563840681.db2.gz OWYLCIAVFSUZLL-HKWRFOASSA-N 0 0 342.196 3.932 50 30 EHEARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000032930681 563841321 /nfs/dbraw/zinc/84/13/21/563841321.db2.gz HSYXQIVMYVPRTG-UHFFFAOYSA-N 0 0 347.418 3.787 50 30 EHEARN Cc1cc(C)c(C#N)c(NCc2ccc(OCC(F)(F)F)nc2)n1 ZINC000071953838 563855221 /nfs/dbraw/zinc/85/52/21/563855221.db2.gz XIOBEBOWQMRPJF-UHFFFAOYSA-N 0 0 336.317 3.518 50 30 EHEARN COc1ccc(N(C(=O)c2cccc(CC#N)c2)C(C)C)cc1F ZINC000069898698 563870324 /nfs/dbraw/zinc/87/03/24/563870324.db2.gz UXHXHFNWNGGMRZ-UHFFFAOYSA-N 0 0 326.371 3.956 50 30 EHEARN Fc1nc(F)c(F)c(-n2c3ccccc3nc2C(F)(F)F)c1F ZINC000003094864 563912220 /nfs/dbraw/zinc/91/22/20/563912220.db2.gz LSXHUWFIKBEVFX-UHFFFAOYSA-N 0 0 335.182 3.996 50 30 EHEARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccco2)C1=O ZINC000033304656 563915719 /nfs/dbraw/zinc/91/57/19/563915719.db2.gz DTQGOPBZHWOZAE-XNTDXEJSSA-N 0 0 343.766 3.810 50 30 EHEARN COc1cccc(/C=N/c2ccc(Br)cc2OC)c1O ZINC000072334090 563936942 /nfs/dbraw/zinc/93/69/42/563936942.db2.gz MDYYSLVBZKJANG-RQZCQDPDSA-N 0 0 336.185 3.923 50 30 EHEARN Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC#N)Cc1ccco1 ZINC000058177717 563939121 /nfs/dbraw/zinc/93/91/21/563939121.db2.gz JXMPDQOPUQHOOC-UHFFFAOYSA-N 0 0 349.390 3.728 50 30 EHEARN c1csc(-c2nc(CON=C3CCC4(CC3)OCCO4)co2)c1 ZINC000058391386 563944536 /nfs/dbraw/zinc/94/45/36/563944536.db2.gz APSBSLXKJNDXEB-UHFFFAOYSA-N 0 0 334.397 3.593 50 30 EHEARN Cc1cc(C)n([C@H](C)C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)n1 ZINC000096411687 563950700 /nfs/dbraw/zinc/95/07/00/563950700.db2.gz POXMMYVGAGVDOF-LLVKDONJSA-N 0 0 344.806 3.788 50 30 EHEARN CN(CC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000096423632 563951911 /nfs/dbraw/zinc/95/19/11/563951911.db2.gz FLGBFCZPHVGKRD-UHFFFAOYSA-N 0 0 336.178 3.776 50 30 EHEARN C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000096453379 563953791 /nfs/dbraw/zinc/95/37/91/563953791.db2.gz DXLOXYUFERROMB-JTQLQIEISA-N 0 0 331.301 3.793 50 30 EHEARN N#Cc1cccc(OS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000060567427 563965909 /nfs/dbraw/zinc/96/59/09/563965909.db2.gz PXTIYSMUKVJBOI-UHFFFAOYSA-N 0 0 334.205 3.694 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000077303166 563968887 /nfs/dbraw/zinc/96/88/87/563968887.db2.gz PSNFMGIXBKBHHU-HNNXBMFYSA-N 0 0 338.382 3.629 50 30 EHEARN C=C(C)CN(C)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000097233175 563970795 /nfs/dbraw/zinc/97/07/95/563970795.db2.gz KZLKHMYJAJVVPC-UHFFFAOYSA-N 0 0 340.214 3.614 50 30 EHEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000000068558 563973154 /nfs/dbraw/zinc/97/31/54/563973154.db2.gz SCBNOELADYCQGB-UHFFFAOYSA-N 0 0 342.420 3.732 50 30 EHEARN O=c1[nH]ncc(NN=Cc2cccc(Oc3ccccc3)c2)c1Cl ZINC000095663275 563977624 /nfs/dbraw/zinc/97/76/24/563977624.db2.gz XGRNBZJDUTYKRV-GRSHGNNSSA-N 0 0 340.770 3.662 50 30 EHEARN COc1cc(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O ZINC000000096600 563977890 /nfs/dbraw/zinc/97/78/90/563977890.db2.gz OLXHLGLUKFMPCK-UDWIEESQSA-N 0 0 346.814 3.641 50 30 EHEARN CCn1cc(-c2cc(-c3c[nH]c4ccccc43)nc(N)c2C#N)c(C)n1 ZINC000071759697 563983031 /nfs/dbraw/zinc/98/30/31/563983031.db2.gz JMTKWESGRUMZAI-UHFFFAOYSA-N 0 0 342.406 3.876 50 30 EHEARN O=C(Nc1cccc(Cl)c1Br)N1C[C@H]2CC[C@@H](C1)O2 ZINC000328588575 563984088 /nfs/dbraw/zinc/98/40/88/563984088.db2.gz IRQRHPBWYDTJBK-DTORHVGOSA-N 0 0 345.624 3.511 50 30 EHEARN Cc1ccc(OCc2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000000108225 563986575 /nfs/dbraw/zinc/98/65/75/563986575.db2.gz XWWRPRWNRIQLBK-GJZGRUSLSA-N 0 0 325.412 3.916 50 30 EHEARN O[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccccc1F ZINC000000234761 563989066 /nfs/dbraw/zinc/98/90/66/563989066.db2.gz PUDGHLSRJWJKPO-NRFANRHFSA-N 0 0 332.374 3.799 50 30 EHEARN Oc1ccccc1/C=N/c1cc2c(cc1Br)OCCO2 ZINC000000272529 563990084 /nfs/dbraw/zinc/99/00/84/563990084.db2.gz HMXPGFCSGZKXNU-RQZCQDPDSA-N 0 0 334.169 3.677 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000100259451 563991944 /nfs/dbraw/zinc/99/19/44/563991944.db2.gz TWKFFRBNVTZGKV-DPEHCCBOSA-N 0 0 345.757 3.531 50 30 EHEARN N#CC1(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC000120998111 563993856 /nfs/dbraw/zinc/99/38/56/563993856.db2.gz AGHINJKIOLFODN-UHFFFAOYSA-N 0 0 348.189 3.967 50 30 EHEARN Cc1nc(SCC(=O)N[C@H](C)c2ccccc2)c(C#N)c(C)c1C ZINC000005172649 563999930 /nfs/dbraw/zinc/99/99/30/563999930.db2.gz GGMSYNGLEOYOEQ-OAHLLOKOSA-N 0 0 339.464 3.848 50 30 EHEARN N#C[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1cccc(O)c1 ZINC000061719853 564000444 /nfs/dbraw/zinc/00/04/44/564000444.db2.gz UZEVLXCHGQZJSY-LLVKDONJSA-N 0 0 339.782 3.848 50 30 EHEARN C=CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccco1 ZINC000100909665 564017040 /nfs/dbraw/zinc/01/70/40/564017040.db2.gz SCASUVGIDMLWFA-ZCXUNETKSA-N 0 0 328.393 3.622 50 30 EHEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccccc2)C1=O ZINC000018130311 564018330 /nfs/dbraw/zinc/01/83/30/564018330.db2.gz CJEQLVHKYYCCMD-QINSGFPZSA-N 0 0 347.370 3.986 50 30 EHEARN COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCCC2 ZINC000000500749 564018985 /nfs/dbraw/zinc/01/89/85/564018985.db2.gz CGNLDABFXHAVLA-UHFFFAOYSA-N 0 0 344.461 3.826 50 30 EHEARN CC(C)c1ccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)cc1 ZINC000000501215 564019031 /nfs/dbraw/zinc/01/90/31/564019031.db2.gz PHTYBSHIRGSXDW-SSDVNMTOSA-N 0 0 330.391 3.883 50 30 EHEARN COc1ccc(NC(=O)[C@H](C#N)C(=O)CC/C=C/c2ccccc2)cc1 ZINC000101215792 564019332 /nfs/dbraw/zinc/01/93/32/564019332.db2.gz SVGATCIHIJEKKZ-NTPDMAOXSA-N 0 0 348.402 3.836 50 30 EHEARN Cc1ccc(C)c(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)CCC3)c1 ZINC000102389353 564019987 /nfs/dbraw/zinc/01/99/87/564019987.db2.gz UOXBNLJRIHYCTP-CQSZACIVSA-N 0 0 338.432 3.815 50 30 EHEARN CN(C)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000024506737 564022381 /nfs/dbraw/zinc/02/23/81/564022381.db2.gz SPHMPVXZYSPZJX-UHFFFAOYSA-N 0 0 346.352 3.553 50 30 EHEARN CCc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2C)cc1C ZINC000103503628 564022544 /nfs/dbraw/zinc/02/25/44/564022544.db2.gz KKMJNUVPZXZGLD-CYBMUJFWSA-N 0 0 326.421 3.889 50 30 EHEARN Cn1ccnc1[C@@H](C(=O)C=Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000103614996 564022824 /nfs/dbraw/zinc/02/28/24/564022824.db2.gz PEWGPYQJWZMMTM-DLENHJPASA-N 0 0 348.377 3.808 50 30 EHEARN N#Cc1ccccc1N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000046849584 564025450 /nfs/dbraw/zinc/02/54/50/564025450.db2.gz BMDDNBOAKOQSCX-UHFFFAOYSA-N 0 0 325.456 3.567 50 30 EHEARN Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 ZINC000047168557 564025818 /nfs/dbraw/zinc/02/58/18/564025818.db2.gz MVVLTZRICNHRNV-BJMVGYQFSA-N 0 0 343.386 3.767 50 30 EHEARN C[C@@H](CCC#N)Sc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000241897138 564052094 /nfs/dbraw/zinc/05/20/94/564052094.db2.gz TVXHXVWBRDUEQS-LBPRGKRZSA-N 0 0 328.397 3.964 50 30 EHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)NC(=O)N1 ZINC000005785178 564052141 /nfs/dbraw/zinc/05/21/41/564052141.db2.gz IVINMBVBTHQEIT-MRXNPFEDSA-N 0 0 326.783 3.851 50 30 EHEARN N#Cc1cccc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)c1 ZINC000585149292 564052699 /nfs/dbraw/zinc/05/26/99/564052699.db2.gz GTRDJAPOVOERTN-QGZVFWFLSA-N 0 0 326.421 3.517 50 30 EHEARN O=C(/C=C\NNC(=S)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000211075519 564054554 /nfs/dbraw/zinc/05/45/54/564054554.db2.gz ZSBJKUCNAZCABE-KHPPLWFESA-N 0 0 331.828 3.528 50 30 EHEARN C=CCn1c2ccccc2nc1-c1nccn1Cc1noc(C(C)C)n1 ZINC000071752210 564063792 /nfs/dbraw/zinc/06/37/92/564063792.db2.gz UFRAWLSRPAJSCG-UHFFFAOYSA-N 0 0 348.410 3.641 50 30 EHEARN Cc1ccc(Sc2cc(C#N)c(C#N)cc2N2CCOCC2)cc1 ZINC000001432819 564066904 /nfs/dbraw/zinc/06/69/04/564066904.db2.gz YMKDNXCZNSDBSG-UHFFFAOYSA-N 0 0 335.432 3.726 50 30 EHEARN N#CCOc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000084372340 564067917 /nfs/dbraw/zinc/06/79/17/564067917.db2.gz FJZXQINJBIJAFJ-LJQANCHMSA-N 0 0 338.382 3.634 50 30 EHEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000005235740 564070584 /nfs/dbraw/zinc/07/05/84/564070584.db2.gz RFPUUXJRXUXONG-MRXNPFEDSA-N 0 0 349.409 3.726 50 30 EHEARN C=CCn1cnc2c3c4c(c(-c5ccco5)nc3sc2c1=O)CCC4 ZINC000013718978 564073962 /nfs/dbraw/zinc/07/39/62/564073962.db2.gz ZZNSJNVDGRRZNV-UHFFFAOYSA-N 0 0 349.415 3.941 50 30 EHEARN COC(=O)c1c(C)c2ccccc2nc1COc1ccccc1C#N ZINC000012918049 564078083 /nfs/dbraw/zinc/07/80/83/564078083.db2.gz SWCDWMLLFJGVQE-UHFFFAOYSA-N 0 0 332.359 3.781 50 30 EHEARN CO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000075134429 564080562 /nfs/dbraw/zinc/08/05/62/564080562.db2.gz YSVVFVBDLOWCIY-SECBINFHSA-N 0 0 332.347 3.685 50 30 EHEARN C=CCc1cc(CNc2nnc(C(F)F)s2)cc(OC)c1OC ZINC000089424177 564090568 /nfs/dbraw/zinc/09/05/68/564090568.db2.gz FBZDQBUDMLJPDG-UHFFFAOYSA-N 0 0 341.383 3.834 50 30 EHEARN COc1ccccc1-c1nc(NC(=O)Cc2ccc(C)s2)n[nH]1 ZINC000064490002 564091760 /nfs/dbraw/zinc/09/17/60/564091760.db2.gz UJFMNCAEGWJNHR-UHFFFAOYSA-N 0 0 328.397 3.681 50 30 EHEARN COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1OC ZINC000013114919 564100847 /nfs/dbraw/zinc/10/08/47/564100847.db2.gz JJTMKAVMZRVHFW-LVZFUZTISA-N 0 0 325.364 3.601 50 30 EHEARN COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000007061030 564104071 /nfs/dbraw/zinc/10/40/71/564104071.db2.gz BQPGCYSPNNAROE-PXNMLYILSA-N 0 0 344.750 3.508 50 30 EHEARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000007168872 564105554 /nfs/dbraw/zinc/10/55/54/564105554.db2.gz QOLOLNSUAWJUGN-AWEZNQCLSA-N 0 0 336.391 3.947 50 30 EHEARN CCc1nnsc1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000065453514 564106067 /nfs/dbraw/zinc/10/60/67/564106067.db2.gz IMCVDTKZYJRGSB-SNVBAGLBSA-N 0 0 332.454 3.605 50 30 EHEARN N#Cc1ccc(F)c(CN2CCC(=C3C(=O)Nc4ccccc43)CC2)c1 ZINC000065490124 564106418 /nfs/dbraw/zinc/10/64/18/564106418.db2.gz KGKPPZUCKSUYMC-UHFFFAOYSA-N 0 0 347.393 3.699 50 30 EHEARN N#C[C@H](NC(=O)/C=C/c1cccc2cccnc12)c1ccccc1F ZINC000065518536 564106800 /nfs/dbraw/zinc/10/68/00/564106800.db2.gz WRJZBJULZAVRKY-ZGKFYVQTSA-N 0 0 331.350 3.768 50 30 EHEARN N#Cc1nccnc1Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000065589749 564107853 /nfs/dbraw/zinc/10/78/53/564107853.db2.gz KXHXQUCWULQNSX-UHFFFAOYSA-N 0 0 341.326 3.914 50 30 EHEARN N#Cc1ccncc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000089782886 564113738 /nfs/dbraw/zinc/11/37/38/564113738.db2.gz MFOIKLYFLMQNGF-GOSISDBHSA-N 0 0 327.815 3.557 50 30 EHEARN CO[C@H](C)c1cccc(NC(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000089905242 564115076 /nfs/dbraw/zinc/11/50/76/564115076.db2.gz GHIRSKRGUXUHTO-OAHLLOKOSA-N 0 0 338.411 3.737 50 30 EHEARN CO[C@H](C)c1cccc(NC(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000089905244 564115110 /nfs/dbraw/zinc/11/51/10/564115110.db2.gz JAHIUIQXUXRBQY-OAHLLOKOSA-N 0 0 338.411 3.737 50 30 EHEARN S=C(NCc1ccccc1)NN=C1CCc2c1cccc2Cl ZINC000252474511 564118968 /nfs/dbraw/zinc/11/89/68/564118968.db2.gz GWQCCBIYFLQLJB-UHFFFAOYSA-N 0 0 329.856 3.655 50 30 EHEARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=C[C@H]1CC=CCC1 ZINC000252475190 564119013 /nfs/dbraw/zinc/11/90/13/564119013.db2.gz VNGAWCQPKOPRPK-LBPRGKRZSA-N 0 0 349.346 3.686 50 30 EHEARN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Cl)c2C)cc1 ZINC000193817952 564120339 /nfs/dbraw/zinc/12/03/39/564120339.db2.gz YTLSODAKWKHMHT-HNNXBMFYSA-N 0 0 342.782 3.618 50 30 EHEARN COC(=O)/C(=N/Nc1ccc(Cl)cc1)N1CCCc2ccccc21 ZINC000002200123 564120830 /nfs/dbraw/zinc/12/08/30/564120830.db2.gz IGEBHVHUGNIOCM-FXBPSFAMSA-N 0 0 343.814 3.691 50 30 EHEARN COC(=O)c1ccccc1C=NN(C)c1nc2ccccc2s1 ZINC000252599185 564121131 /nfs/dbraw/zinc/12/11/31/564121131.db2.gz DGTPGZJDYYUHGG-UHFFFAOYSA-N 0 0 325.393 3.553 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCOc2ccccc21 ZINC000007705495 564122091 /nfs/dbraw/zinc/12/20/91/564122091.db2.gz CNZFZCPJYXMXIA-INIZCTEOSA-N 0 0 347.374 3.504 50 30 EHEARN N#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000007742977 564122588 /nfs/dbraw/zinc/12/25/88/564122588.db2.gz DEHZVCJGVIJJFE-UHFFFAOYSA-N 0 0 337.379 3.997 50 30 EHEARN Cc1nc(-c2ccccc2)sc1CS(=O)(=O)CCC(C)(C)C#N ZINC000195579472 564123941 /nfs/dbraw/zinc/12/39/41/564123941.db2.gz KMJNLDSLOULTDM-UHFFFAOYSA-N 0 0 348.493 3.973 50 30 EHEARN CN(CCC#N)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007886350 564124404 /nfs/dbraw/zinc/12/44/04/564124404.db2.gz YOIUVZZZVVDZJP-FQEVSTJZSA-N 0 0 346.434 3.765 50 30 EHEARN Cc1csc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1Cl ZINC000253427770 564131255 /nfs/dbraw/zinc/13/12/55/564131255.db2.gz ANJQWMSMBYQURG-AWEZNQCLSA-N 0 0 346.839 3.795 50 30 EHEARN N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1N1CCOCC1 ZINC000027562257 564132156 /nfs/dbraw/zinc/13/21/56/564132156.db2.gz MESKFCSWDKGRNM-UHFFFAOYSA-N 0 0 345.402 3.563 50 30 EHEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCOC2(CCC2)C1 ZINC000161577528 564134308 /nfs/dbraw/zinc/13/43/08/564134308.db2.gz RDGCGBWIFUNGJH-AWEZNQCLSA-N 0 0 345.468 3.868 50 30 EHEARN N#Cc1ccnc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1 ZINC000067756512 564134903 /nfs/dbraw/zinc/13/49/03/564134903.db2.gz RDHXXEHEPGMJQM-INIZCTEOSA-N 0 0 347.397 3.866 50 30 EHEARN CCCc1cc(SCC(=O)OC)n2c3ccccc3nc2c1C#N ZINC000002446748 564135276 /nfs/dbraw/zinc/13/52/76/564135276.db2.gz CXMJXWUXOMWKHR-UHFFFAOYSA-N 0 0 339.420 3.577 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012796317 564135551 /nfs/dbraw/zinc/13/55/51/564135551.db2.gz PMRSMIYEHNIQME-DZJNRPSUSA-N 0 0 326.440 3.801 50 30 EHEARN COc1ccccc1/C=C1\Oc2cc(OC(=O)C(C)C)ccc2C1=O ZINC000012861124 564135671 /nfs/dbraw/zinc/13/56/71/564135671.db2.gz WPDWZWJWGPNGET-ZDLGFXPLSA-N 0 0 338.359 3.873 50 30 biogenic EHEARN CCc1c(C)sc(NC(=O)c2ccc3c(c2)OCCO3)c1C#N ZINC000013328104 564136209 /nfs/dbraw/zinc/13/62/09/564136209.db2.gz JOUZWTVRCCCFDD-UHFFFAOYSA-N 0 0 328.393 3.514 50 30 EHEARN O=C(Nc1cccc2c1OCC[C@H]2O)c1cc(O)c2ccccc2c1 ZINC000328588600 564136616 /nfs/dbraw/zinc/13/66/16/564136616.db2.gz JTPOSHMCPAKIKY-QGZVFWFLSA-N 0 0 335.359 3.998 50 30 EHEARN N#Cc1cnc(Sc2nnc(-c3cccc4ccccc43)o2)cn1 ZINC000125430527 564141858 /nfs/dbraw/zinc/14/18/58/564141858.db2.gz AHJJJRWYYQMSAT-UHFFFAOYSA-N 0 0 331.360 3.703 50 30 EHEARN C[S@@](=O)c1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000095944337 564142154 /nfs/dbraw/zinc/14/21/54/564142154.db2.gz SLIOVCFOVOHURD-QHCPKHFHSA-N 0 0 338.354 3.927 50 30 EHEARN N#CC1(CCCN2CCO[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000281405737 564144357 /nfs/dbraw/zinc/14/43/57/564144357.db2.gz QVMMFMCPWSVXRQ-GOSISDBHSA-N 0 0 348.874 3.814 50 30 EHEARN CCn1nc(C)c(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)c1C ZINC000096189830 564145938 /nfs/dbraw/zinc/14/59/38/564145938.db2.gz OGHCVQMMDNGKKK-KHPPLWFESA-N 0 0 332.407 3.873 50 30 EHEARN C=C(C)CNC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 ZINC000156504656 564145983 /nfs/dbraw/zinc/14/59/83/564145983.db2.gz FWNOEDGHKMKVNB-UHFFFAOYSA-N 0 0 331.347 3.677 50 30 EHEARN O=C1c2cc(Br)ccc2SC/C1=C\c1csnn1 ZINC000096310739 564146688 /nfs/dbraw/zinc/14/66/88/564146688.db2.gz ASMHUKQMUCTURL-XVNBXDOJSA-N 0 0 339.239 3.673 50 30 EHEARN Cc1nc(C=CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cs1 ZINC000096400710 564147032 /nfs/dbraw/zinc/14/70/32/564147032.db2.gz FJFZZJWSMBEWOP-ZHRWSRJISA-N 0 0 325.418 3.951 50 30 EHEARN CN(Cc1cnccn1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000096446065 564148224 /nfs/dbraw/zinc/14/82/24/564148224.db2.gz JNPZITGDXRUOIE-UHFFFAOYSA-N 0 0 342.402 3.540 50 30 EHEARN C#Cc1cccc(NC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000096446183 564148226 /nfs/dbraw/zinc/14/82/26/564148226.db2.gz QKIRUFPJVMAGGK-JBEBIEQOSA-N 0 0 340.448 3.630 50 30 EHEARN CSC1(CNc2ccc(Br)cc2C#N)CCOCC1 ZINC000097083890 564149346 /nfs/dbraw/zinc/14/93/46/564149346.db2.gz GHYGKZWPIJNVBZ-UHFFFAOYSA-N 0 0 341.274 3.645 50 30 EHEARN Cc1nnc(SCCOc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000002629028 564151435 /nfs/dbraw/zinc/15/14/35/564151435.db2.gz FOXPEFYLKGUMCG-UHFFFAOYSA-N 0 0 336.420 3.619 50 30 EHEARN COc1cc(C#N)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000003426586 564158084 /nfs/dbraw/zinc/15/80/84/564158084.db2.gz JBCJUFONJIEZJP-UHFFFAOYSA-N 0 0 332.359 3.738 50 30 EHEARN N#Cc1c2c(c(-c3ccco3)nc1OCC(=O)c1ccccc1)CCC2 ZINC000032105694 564160839 /nfs/dbraw/zinc/16/08/39/564160839.db2.gz VMOHXPMICUPPNV-UHFFFAOYSA-N 0 0 344.370 3.964 50 30 EHEARN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(C#N)c1 ZINC000008393285 564165011 /nfs/dbraw/zinc/16/50/11/564165011.db2.gz UQQKQZOVCQEYTC-UHFFFAOYSA-N 0 0 346.390 3.659 50 30 EHEARN Cc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)c(C)c1 ZINC000008549704 564165643 /nfs/dbraw/zinc/16/56/43/564165643.db2.gz FTGNTKYSUMCBFL-UHFFFAOYSA-N 0 0 344.378 3.668 50 30 EHEARN Cc1noc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 ZINC000069453262 564169632 /nfs/dbraw/zinc/16/96/32/564169632.db2.gz TVJBUVKHPCRDKL-UHFFFAOYSA-N 0 0 338.342 3.580 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(NC2CCOCC2)cc1 ZINC000069491173 564169931 /nfs/dbraw/zinc/16/99/31/564169931.db2.gz OCZFMADREHAHTO-UHFFFAOYSA-N 0 0 338.367 3.801 50 30 EHEARN N#Cc1ccc(Oc2cccc(Oc3ncccn3)c2)c([N+](=O)[O-])c1 ZINC000069520185 564170150 /nfs/dbraw/zinc/17/01/50/564170150.db2.gz LQYFDCAUWUFJGW-UHFFFAOYSA-N 0 0 334.291 3.841 50 30 EHEARN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000069590256 564170747 /nfs/dbraw/zinc/17/07/47/564170747.db2.gz LTACAHDRWRYJDJ-GFCCVEGCSA-N 0 0 343.452 3.568 50 30 EHEARN C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C)ccc1F ZINC000069706348 564171705 /nfs/dbraw/zinc/17/17/05/564171705.db2.gz NJGAYZBDGNHHLG-UHFFFAOYSA-N 0 0 333.366 3.883 50 30 EHEARN COc1ccc(C(=O)/C=C/c2csc(C3CC3)n2)cc1NC(C)=O ZINC000070036584 564173421 /nfs/dbraw/zinc/17/34/21/564173421.db2.gz WUZWDYRUPPYULK-VOTSOKGWSA-N 0 0 342.420 3.884 50 30 EHEARN N#C[C@H](C(=O)c1csc(Br)c1)c1nc2ccccc2[nH]1 ZINC000041494467 564173971 /nfs/dbraw/zinc/17/39/71/564173971.db2.gz HZJZYOQWTAMCOV-SECBINFHSA-N 0 0 346.209 3.877 50 30 EHEARN C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1csc2ccccc21 ZINC000071880096 564176330 /nfs/dbraw/zinc/17/63/30/564176330.db2.gz VQZCJRHOMKAVSS-LBPRGKRZSA-N 0 0 349.415 3.589 50 30 EHEARN N#CCc1cccc(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000075654863 564176445 /nfs/dbraw/zinc/17/64/45/564176445.db2.gz DBBWPBJNKKKMJZ-UHFFFAOYSA-N 0 0 346.386 3.894 50 30 EHEARN O=C(CON=Cc1ccccc1Cl)N[C@H]1CCCc2ccccc21 ZINC000254912773 1015006429 /nfs/dbraw/zinc/00/64/29/1015006429.db2.gz YIWCTVDIDUKWRT-SFHVURJKSA-N 0 0 342.826 3.884 50 30 EHEARN Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)cn1 ZINC000331164181 1022757732 /nfs/dbraw/zinc/75/77/32/1022757732.db2.gz ANLFNLHSRQWJAF-UHFFFAOYSA-N 0 0 326.322 3.997 50 30 EHEARN CCOC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000002937641 1027420385 /nfs/dbraw/zinc/42/03/85/1027420385.db2.gz FSOWYDGXZJPNAK-UHFFFAOYSA-N 0 0 348.218 3.805 50 30 EHEARN C/C(=N\N1C(=O)c2ccccc2NC12CCCC2)c1ccccc1O ZINC000004881483 1042572672 /nfs/dbraw/zinc/57/26/72/1042572672.db2.gz FHWAPMFEWRXWAC-HYARGMPZSA-N 0 0 335.407 3.954 50 30 EHEARN CC(C)(O)C#Cc1ccc(CN2CC[C@H]2c2ccc(F)cc2)s1 ZINC000826585085 1131327668 /nfs/dbraw/zinc/32/76/68/1131327668.db2.gz QKAVMPWXMUKIFW-SFHVURJKSA-N 0 0 329.440 3.957 50 30 EHEARN N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc4ccccc4o3)n2)c1 ZINC000371253963 1130551019 /nfs/dbraw/zinc/55/10/19/1130551019.db2.gz QACZAWHFBJWYKZ-UHFFFAOYSA-N 0 0 342.358 3.625 50 30 EHEARN N#CC1(c2nc(Cc3ccc(-n4ccnc4)cc3)no2)CCCCC1 ZINC000585120546 1137012154 /nfs/dbraw/zinc/01/21/54/1137012154.db2.gz UWXUFFDMBUXFCJ-UHFFFAOYSA-N 0 0 333.395 3.572 50 30 EHEARN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccc(F)cc1 ZINC000004690386 210249116 /nfs/dbraw/zinc/24/91/16/210249116.db2.gz IKLOPILYQKQZJF-UHFFFAOYSA-N 0 0 341.169 3.804 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000049765652 214032216 /nfs/dbraw/zinc/03/22/16/214032216.db2.gz HXFYSCQNKCJQDQ-JXFKEZNVSA-N 0 0 349.434 3.864 50 30 EHEARN CN(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C1(C#N)CCC1 ZINC000058414410 214578621 /nfs/dbraw/zinc/57/86/21/214578621.db2.gz GCMJHPCAGJXFPX-UHFFFAOYSA-N 0 0 329.400 3.552 50 30 EHEARN C#CCN(C(=O)/C=C\c1c(Cl)nc2sccn12)C1CCCCC1 ZINC000098055485 219075099 /nfs/dbraw/zinc/07/50/99/219075099.db2.gz AEMIKUBOPFJQFS-HJWRWDBZSA-N 0 0 347.871 3.857 50 30 EHEARN COc1ccc(C(=O)/C=C\c2cnc3cccc(C)n23)cc1NC(C)=O ZINC000098056292 219075877 /nfs/dbraw/zinc/07/58/77/219075877.db2.gz QKSHYHNVLNBMSF-HJWRWDBZSA-N 0 0 349.390 3.506 50 30 EHEARN CC(N=Nc1nccnc1Cl)c1ccc(Br)cc1 ZINC000004595746 210229310 /nfs/dbraw/zinc/22/93/10/210229310.db2.gz TWFGDIDYJMRWOA-CAOOACKPSA-N 0 0 325.597 3.729 50 30 EHEARN C/C(=N\NC(N)=S)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000004579351 210226401 /nfs/dbraw/zinc/22/64/01/210226401.db2.gz BZCJAQVOKLPZHA-VCHYOVAHSA-N 0 0 348.269 3.673 50 30 EHEARN COc1ccc(/C=C2\CC[C@H]3[C@H](CCCC34OCCO4)C2=O)cc1 ZINC000004533210 210214845 /nfs/dbraw/zinc/21/48/45/210214845.db2.gz VTTUERHBIOYDLZ-WBUKYKKZSA-N 0 0 328.408 3.601 50 30 EHEARN C=CCSc1nc2sc3c(c2c(=O)n1CC)CC(C)(C)OC3 ZINC000004438499 210193145 /nfs/dbraw/zinc/19/31/45/210193145.db2.gz BDGYYNQQDJPPRK-UHFFFAOYSA-N 0 0 336.482 3.607 50 30 EHEARN COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(F)cc1 ZINC000004320990 210169820 /nfs/dbraw/zinc/16/98/20/210169820.db2.gz KVADUHDZGOPMTG-CXUHLZMHSA-N 0 0 341.338 3.729 50 30 EHEARN CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccc12 ZINC000004048008 210108039 /nfs/dbraw/zinc/10/80/39/210108039.db2.gz WPFDPMIOZDMLJD-RGVLZGJSSA-N 0 0 336.351 3.988 50 30 EHEARN CC(=NOC(=O)Nc1ccc(C)cc1)C(C)(C)NC(=O)OC(C)C ZINC000003905738 210089781 /nfs/dbraw/zinc/08/97/81/210089781.db2.gz QTDDVQWJUKBFFO-DEDYPNTBSA-N 0 0 335.404 3.833 50 30 EHEARN CC(=O)/N=C1\NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)S1 ZINC000003903047 210089166 /nfs/dbraw/zinc/08/91/66/210089166.db2.gz VKVBGOAULKSTQC-WJDWOHSUSA-N 0 0 338.388 3.585 50 30 EHEARN CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1 ZINC000003663501 210072277 /nfs/dbraw/zinc/07/22/77/210072277.db2.gz WOCPPSYICQAHAN-UHFFFAOYSA-N 0 0 328.393 3.777 50 30 EHEARN C=CCn1c(S[C@H](C)C#N)nnc1-c1ccc(Br)cc1 ZINC000003332867 210010605 /nfs/dbraw/zinc/01/06/05/210010605.db2.gz IECBUQOWOALGBW-SNVBAGLBSA-N 0 0 349.257 3.898 50 30 EHEARN CCCCCCCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000102933988 219242275 /nfs/dbraw/zinc/24/22/75/219242275.db2.gz QFGIKIUYXJQYAC-UHFFFAOYSA-N 0 0 334.445 3.536 50 30 EHEARN N#C[C@@H](NC(=O)c1ccco1)c1ccc(OCc2ccccc2)cc1 ZINC000068343659 215301678 /nfs/dbraw/zinc/30/16/78/215301678.db2.gz UNKRBRIPFLHWEK-GOSISDBHSA-N 0 0 332.359 3.853 50 30 EHEARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000002632246 209878794 /nfs/dbraw/zinc/87/87/94/209878794.db2.gz LSEUOVJMEMYTPN-UHFFFAOYSA-N 0 0 347.374 3.994 50 30 EHEARN Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccccc2)c(C)c1 ZINC000002327066 209840852 /nfs/dbraw/zinc/84/08/52/209840852.db2.gz YMUPLELUKLEPHN-UCLIPEMJSA-N 0 0 337.448 3.769 50 30 EHEARN COc1c2c(cc(/C=C/C(=O)c3ccc(Cl)cc3)c1OC)OCO2 ZINC000035324186 213021736 /nfs/dbraw/zinc/02/17/36/213021736.db2.gz DOBGOQCXTYDTQH-VMPITWQZSA-N 0 0 346.766 3.982 50 30 EHEARN N#Cc1ccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000033474694 212941283 /nfs/dbraw/zinc/94/12/83/212941283.db2.gz RJTIBODKNVJEHL-ZROIWOOFSA-N 0 0 333.778 3.866 50 30 EHEARN CSc1nnc(-c2ccccc2)n1/N=C/c1cc(O)ccc1Cl ZINC000000365796 209553580 /nfs/dbraw/zinc/55/35/80/209553580.db2.gz BYYJJTDUKBFYHT-VCHYOVAHSA-N 0 0 344.827 3.908 50 30 EHEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000000316410 209533151 /nfs/dbraw/zinc/53/31/51/209533151.db2.gz WNUGZVJSQUTWLQ-IFRROFPPSA-N 0 0 334.210 3.875 50 30 EHEARN C[C@@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C#N)c2C1 ZINC000000270835 209512942 /nfs/dbraw/zinc/51/29/42/209512942.db2.gz SCMPLQYANLERNR-SNVBAGLBSA-N 0 0 341.392 3.905 50 30 EHEARN Cc1ccc(-c2cnc(CSc3nc(N)c(C#N)cc3C#N)o2)cc1 ZINC000072302553 216141170 /nfs/dbraw/zinc/14/11/70/216141170.db2.gz YPJPLCTVFWEWPP-UHFFFAOYSA-N 0 0 347.403 3.663 50 30 EHEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1[N+](=O)[O-] ZINC000000244956 209502826 /nfs/dbraw/zinc/50/28/26/209502826.db2.gz UKJIQPVWEUYHGB-UHFFFAOYSA-N 0 0 341.392 3.968 50 30 EHEARN COc1ccccc1NC(=O)c1cncc(C#Cc2ccccc2)c1 ZINC000000170181 209462051 /nfs/dbraw/zinc/46/20/51/209462051.db2.gz BTRYIDDUDDFANX-UHFFFAOYSA-N 0 0 328.371 3.742 50 30 EHEARN COCCc1nsc(Sc2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000225545305 241922599 /nfs/dbraw/zinc/92/25/99/241922599.db2.gz RXWTWLHZNIIQOH-UHFFFAOYSA-N 0 0 345.371 3.769 50 30 EHEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3c(C)noc3C)sc2C1 ZINC000020581441 212150467 /nfs/dbraw/zinc/15/04/67/212150467.db2.gz ALHWBKMBQOLLDT-LLVKDONJSA-N 0 0 329.425 3.992 50 30 EHEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020503383 212141855 /nfs/dbraw/zinc/14/18/55/212141855.db2.gz ROYOMSAHTGNDLS-NCUBORBFSA-N 0 0 339.391 3.976 50 30 biogenic EHEARN N#Cc1c(N)nc2c(c1-c1cccc(Br)c1)CCCC2 ZINC000019300152 212012768 /nfs/dbraw/zinc/01/27/68/212012768.db2.gz YNJROSNFEVRHTR-UHFFFAOYSA-N 0 0 328.213 3.844 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc(OC)c1OC ZINC000014190794 211706611 /nfs/dbraw/zinc/70/66/11/211706611.db2.gz GREAFHKSOCCXMU-GQCTYLIASA-N 0 0 340.375 3.543 50 30 EHEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000014175790 211701288 /nfs/dbraw/zinc/70/12/88/211701288.db2.gz LJHFHMCAHLNWAF-INIZCTEOSA-N 0 0 334.371 3.707 50 30 EHEARN Cc1cc(C)nc(N=C(NC(=O)c2ccccc2)Nc2ccccc2)n1 ZINC000013756802 211631559 /nfs/dbraw/zinc/63/15/59/211631559.db2.gz LSHUEEPHHHQYHZ-UHFFFAOYSA-N 0 0 345.406 3.814 50 30 EHEARN CN1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1 ZINC000013739013 211627167 /nfs/dbraw/zinc/62/71/67/211627167.db2.gz SXSZQZYFQPCCNH-VRNBXGKJSA-N 0 0 325.358 3.946 50 30 EHEARN COc1cc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)ccc1O ZINC000013685654 211610073 /nfs/dbraw/zinc/61/00/73/211610073.db2.gz XRSBJERFRJRTCO-YBEGLDIGSA-N 0 0 340.404 3.601 50 30 EHEARN CCCCc1nc(NC[C@H]2CCCO2)c(C#N)c2c1COC(C)(C)C2 ZINC000013116132 211523112 /nfs/dbraw/zinc/52/31/12/211523112.db2.gz PIOHWOBBHPMXGT-CQSZACIVSA-N 0 0 343.471 3.738 50 30 EHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3N[C@H](c3ccccc3)C12 ZINC000012390565 211366381 /nfs/dbraw/zinc/36/63/81/211366381.db2.gz IYQYGSCWXNNZBC-YVEFUNNKSA-N 0 0 348.362 3.642 50 30 EHEARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(C#N)c3)c12 ZINC000011373987 211215519 /nfs/dbraw/zinc/21/55/19/211215519.db2.gz BMZXICYGYGLOQQ-UHFFFAOYSA-N 0 0 344.330 3.915 50 30 EHEARN Cc1ccc2c(C)c(CCC(=O)Nc3cccc(C#N)c3)c(=O)oc2c1 ZINC000011373177 211214795 /nfs/dbraw/zinc/21/47/95/211214795.db2.gz IVKPUESABUYCBR-UHFFFAOYSA-N 0 0 346.386 3.853 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000009458702 211087750 /nfs/dbraw/zinc/08/77/50/211087750.db2.gz HITOSPJQVKLVEU-LBPRGKRZSA-N 0 0 344.798 3.935 50 30 EHEARN CCN(Cc1ccccc1)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000009494384 211091795 /nfs/dbraw/zinc/09/17/95/211091795.db2.gz XPDNWPBSUCADTM-UHFFFAOYSA-N 0 0 333.391 3.913 50 30 EHEARN NC(=O)[C@@]1(c2nc(-c3ccc(Cl)cc3)cs2)OC12CCCCC2 ZINC000009420022 211081034 /nfs/dbraw/zinc/08/10/34/211081034.db2.gz OQBKSEJKWWXXLD-KRWDZBQOSA-N 0 0 348.855 3.877 50 30 EHEARN CSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000009361186 211074169 /nfs/dbraw/zinc/07/41/69/211074169.db2.gz WWBNLDNPKPOFFG-HNNXBMFYSA-N 0 0 340.452 3.658 50 30 EHEARN COc1cc(C#N)cc(Cl)c1OCc1nnc(-c2ccccc2)o1 ZINC000009154189 211046291 /nfs/dbraw/zinc/04/62/91/211046291.db2.gz RVHJGFQWWBPMAF-UHFFFAOYSA-N 0 0 341.754 3.849 50 30 EHEARN C[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)C1 ZINC000009014804 211031934 /nfs/dbraw/zinc/03/19/34/211031934.db2.gz KMBGWGWUZNJAPT-HXPMCKFVSA-N 0 0 330.391 3.699 50 30 EHEARN COc1cc(C#N)ccc1Oc1nc2cc(C)nn2c2ccccc12 ZINC000007737828 210841769 /nfs/dbraw/zinc/84/17/69/210841769.db2.gz BWKKPNQVWHUJCN-UHFFFAOYSA-N 0 0 330.347 3.864 50 30 EHEARN COc1ccc(-c2nc(C)c(C(=O)/C=C\c3csnn3)s2)cc1 ZINC000096032922 218517517 /nfs/dbraw/zinc/51/75/17/218517517.db2.gz ZYSHVZWFGUDYNA-YVMONPNESA-N 0 0 343.433 3.875 50 30 EHEARN O=C(/C=C\c1c(F)cccc1F)c1ccc(N2CCCC2=O)cc1 ZINC000096919941 218899044 /nfs/dbraw/zinc/89/90/44/218899044.db2.gz NZKYVNZOALRQTQ-KHPPLWFESA-N 0 0 327.330 3.988 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(OC)cc2)CCO[C@@](C)(CC)C1 ZINC000004951058 210337229 /nfs/dbraw/zinc/33/72/29/210337229.db2.gz WFBNDJNPEABRFD-IHPCNDPISA-N 0 0 345.439 3.615 50 30 EHEARN COc1ccc([C@H]2C3=C(NC(C)=C2C(C)=O)c2ccccc2C3=O)cc1 ZINC000004934760 210328608 /nfs/dbraw/zinc/32/86/08/210328608.db2.gz JGGSPGXPOMKOFH-LJQANCHMSA-N 0 0 345.398 3.853 50 30 EHEARN Cc1cc([C@H](C)Nc2ncnc3c2cnn3CCC#N)c(C)s1 ZINC000097200081 218988998 /nfs/dbraw/zinc/98/89/98/218988998.db2.gz REDFBGFWCMOZSZ-NSHDSACASA-N 0 0 326.429 3.591 50 30 EHEARN C=CCNC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC ZINC000004831762 210290513 /nfs/dbraw/zinc/29/05/13/210290513.db2.gz BBKBTILZBDOPBK-UHFFFAOYSA-N 0 0 330.409 3.899 50 30 EHEARN COc1ccccc1[C@@H](C#N)NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000096451247 257834230 /nfs/dbraw/zinc/83/42/30/257834230.db2.gz IPVPVAFKABHMQK-XJKSGUPXSA-N 0 0 334.375 3.926 50 30 EHEARN CN(CC1(CO)CCCC1)C(=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000426373872 257970671 /nfs/dbraw/zinc/97/06/71/257970671.db2.gz VWOHIPIDMTWESW-UHFFFAOYSA-N 0 0 348.446 3.850 50 30 EHEARN N#CCC(=O)N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000000170872 258047672 /nfs/dbraw/zinc/04/76/72/258047672.db2.gz PLILKGFXHDBJAF-UHFFFAOYSA-N 0 0 327.771 3.814 50 30 EHEARN O=C(Nc1ccc(NC(=O)N2CCCCCO2)cc1)c1ccco1 ZINC000328596543 258042714 /nfs/dbraw/zinc/04/27/14/258042714.db2.gz BHQBDHXYGCRPHP-UHFFFAOYSA-N 0 0 329.356 3.865 50 30 EHEARN C=CCN(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)C1CC1 ZINC000006689255 258044880 /nfs/dbraw/zinc/04/48/80/258044880.db2.gz BSYAFLXDOGPXJM-UHFFFAOYSA-N 0 0 347.821 3.649 50 30 EHEARN Cc1nn(C)c(C)c1C(=O)Nc1ccccc1OCc1cscn1 ZINC000330033115 258001801 /nfs/dbraw/zinc/00/18/01/258001801.db2.gz WKOSIYPMFBXSSN-UHFFFAOYSA-N 0 0 342.424 3.709 50 30 EHEARN O=C(Nc1ccnn1CCc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000330032449 258002205 /nfs/dbraw/zinc/00/22/05/258002205.db2.gz NDXDCKCKSJIGEL-UHFFFAOYSA-N 0 0 342.380 3.732 50 30 EHEARN C=CCn1c(C)nnc1SCCCc1nc(-c2cccs2)no1 ZINC000048362006 258015490 /nfs/dbraw/zinc/01/54/90/258015490.db2.gz HNJAIOAOHGWWGA-UHFFFAOYSA-N 0 0 347.469 3.609 50 30 EHEARN N#Cc1cccc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000012536246 258054485 /nfs/dbraw/zinc/05/44/85/258054485.db2.gz ZPOOHRCVULEYJI-UHFFFAOYSA-N 0 0 342.420 3.680 50 30 EHEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C[C@@H]1CO1 ZINC000095681766 258067298 /nfs/dbraw/zinc/06/72/98/258067298.db2.gz BKXKCZGEIQKTBI-GSVOUGTGSA-N 0 0 326.105 3.879 50 30 EHEARN C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257345462 258073432 /nfs/dbraw/zinc/07/34/32/258073432.db2.gz MASCESDECGBIBB-PQFDIHQSSA-N 0 0 332.484 3.630 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257346274 258073699 /nfs/dbraw/zinc/07/36/99/258073699.db2.gz XDMKIFRLARGPLV-YCGORTOGSA-N 0 0 328.452 3.903 50 30 EHEARN C=C(C)CNC(=S)N(Cc1ccccc1O)c1ccc(OC)cc1 ZINC000036800935 518610040 /nfs/dbraw/zinc/61/00/40/518610040.db2.gz IWWPAQHCEIUZHR-UHFFFAOYSA-N 0 0 342.464 3.858 50 30 EHEARN C=CCN(Cc1ccc(C)s1)C(=O)[C@@H](N)c1ccccc1Cl ZINC000055326001 518779104 /nfs/dbraw/zinc/77/91/04/518779104.db2.gz MXMQNFFKKLFLEV-INIZCTEOSA-N 0 0 334.872 3.925 50 30 EHEARN C=CCNC(=S)N/N=C/c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000004510866 518948973 /nfs/dbraw/zinc/94/89/73/518948973.db2.gz QWDBAYODKAIEMY-HBBMIWKISA-N 0 0 339.464 3.811 50 30 EHEARN COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000005513228 523403603 /nfs/dbraw/zinc/40/36/03/523403603.db2.gz NCQCJVGPIRLGGF-RMKNXTFCSA-N 0 0 328.364 3.617 50 30 EHEARN COCCOc1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 ZINC000058168380 524053875 /nfs/dbraw/zinc/05/38/75/524053875.db2.gz HIPBHLQJZLIQCR-GOSISDBHSA-N 0 0 346.386 3.750 50 30 EHEARN COc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000007586456 524316731 /nfs/dbraw/zinc/31/67/31/524316731.db2.gz FQHOGIBAASPGJJ-VQHVLOKHSA-N 0 0 341.382 3.567 50 30 EHEARN Cc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000004380226 525965447 /nfs/dbraw/zinc/96/54/47/525965447.db2.gz CLKGIIATOGFANC-DEDYPNTBSA-N 0 0 328.379 3.570 50 30 EHEARN Cc1cc(C(=O)N(CCC#N)Cc2ccco2)c2ccc(F)cc2n1 ZINC000069455496 526230728 /nfs/dbraw/zinc/23/07/28/526230728.db2.gz APKXCBWNFSMJEN-UHFFFAOYSA-N 0 0 337.354 3.831 50 30 EHEARN Cc1nnc(Sc2nnc(C3CC3)n2-c2ccccc2)c(C#N)c1C ZINC000253425793 526391801 /nfs/dbraw/zinc/39/18/01/526391801.db2.gz HYATWJULXOYNDS-UHFFFAOYSA-N 0 0 348.435 3.574 50 30 EHEARN N#C[C@H](C(=O)c1ccn(Cc2ccccc2)c1)c1nc2ccccc2[nH]1 ZINC000328593318 526508578 /nfs/dbraw/zinc/50/85/78/526508578.db2.gz QCSYFVRQGPFQOL-QGZVFWFLSA-N 0 0 340.386 3.903 50 30 EHEARN Cn1cc(C(=O)/C=C/c2ccc(COc3ccc4c(c3)CCC4)o2)cn1 ZINC000006925524 527150773 /nfs/dbraw/zinc/15/07/73/527150773.db2.gz IZMHCXYRHGJGAJ-MDZDMXLPSA-N 0 0 348.402 3.977 50 30 EHEARN C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000000133540 563239420 /nfs/dbraw/zinc/23/94/20/563239420.db2.gz HYQWEUVCYSEZFA-QGOAFFKASA-N 0 0 336.844 3.659 50 30 EHEARN CC(C)(O)C#Cc1ccc(/C=N/OC(=O)c2ccc(Cl)cc2)cc1 ZINC000000169876 563250865 /nfs/dbraw/zinc/25/08/65/563250865.db2.gz XIRKKKDUQCPXEH-FYJGNVAPSA-N 0 0 341.794 3.653 50 30 EHEARN CC(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000000443712 563315690 /nfs/dbraw/zinc/31/56/90/563315690.db2.gz OFBDDOFPYGHASM-INIZCTEOSA-N 0 0 333.815 3.957 50 30 EHEARN COc1ccccc1N1CCN(/N=C/c2ccccc2Cl)CC1 ZINC000000445697 563317072 /nfs/dbraw/zinc/31/70/72/563317072.db2.gz GIANWYHENMWNRE-XSFVSMFZSA-N 0 0 329.831 3.505 50 30 EHEARN FC(F)(F)c1ccccc1/C=N/NC(=S)NCc1ccccc1 ZINC000000459824 563325980 /nfs/dbraw/zinc/32/59/80/563325980.db2.gz HUQDBDOITZOPHN-SRZZPIQSSA-N 0 0 337.370 3.704 50 30 EHEARN CCCCCCCc1nc2sc3c(c2c(=O)n1N)CC(C)(C)OC3 ZINC000001814152 563413535 /nfs/dbraw/zinc/41/35/35/563413535.db2.gz QLKOUKXUJNTBAB-UHFFFAOYSA-N 0 0 349.500 3.536 50 30 EHEARN C#C[C@](O)(c1ccc(C)cc1)[C@@H]1CC[C@@H]1[C@](O)(C#C)c1ccc(C)cc1 ZINC000002518932 563438336 /nfs/dbraw/zinc/43/83/36/563438336.db2.gz BHRAKBJCLIOPRY-KIHHCIJBSA-N 0 0 344.454 3.671 50 30 EHEARN O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(=O)[nH]c(=S)[nH]c1N2 ZINC000005818939 563551460 /nfs/dbraw/zinc/55/14/60/563551460.db2.gz SYDKXZKEYXLAOO-GFCCVEGCSA-N 0 0 343.383 3.548 50 30 EHEARN N#CCCSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000032691593 563686059 /nfs/dbraw/zinc/68/60/59/563686059.db2.gz CYDPWQFGCSTSSB-UHFFFAOYSA-N 0 0 327.434 3.512 50 30 EHEARN O=C1N/C(=N/c2ccccn2)S/C1=C\c1cccc2cccnc12 ZINC000013683202 563710313 /nfs/dbraw/zinc/71/03/13/563710313.db2.gz IXWCZFGYQPNRDA-KAMYIIQDSA-N 0 0 332.388 3.521 50 30 EHEARN CC(=O)Nc1ccc(SCCC(=O)Nc2ccccc2C#N)cc1 ZINC000032871073 563770452 /nfs/dbraw/zinc/77/04/52/563770452.db2.gz SDSGPTCIAFDEOW-UHFFFAOYSA-N 0 0 339.420 3.638 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000016750856 563822529 /nfs/dbraw/zinc/82/25/29/563822529.db2.gz PGOKHFJHNKPDQP-OAHLLOKOSA-N 0 0 343.379 3.652 50 30 EHEARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1cccc(F)c1C#N)CC3 ZINC000026725287 563892779 /nfs/dbraw/zinc/89/27/79/563892779.db2.gz LQVZYUZXEDCJKR-UHFFFAOYSA-N 0 0 349.365 3.528 50 30 EHEARN CC(=O)[C@@H]1C(=O)c2cc([N+](=O)[O-])ccc2/C1=N\c1cccc(Cl)c1 ZINC000000433338 563917462 /nfs/dbraw/zinc/91/74/62/563917462.db2.gz LARNELFPDHMAOY-NXSRCCIVSA-N 0 0 342.738 3.771 50 30 EHEARN N#Cc1c2ccccc2[nH]c1OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000072311111 563918271 /nfs/dbraw/zinc/91/82/71/563918271.db2.gz NYTOOWDVHRGSKN-KBXCAEBGSA-N 0 0 337.423 3.600 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cc1 ZINC000032971462 563920122 /nfs/dbraw/zinc/92/01/22/563920122.db2.gz FKXAJYUZRGTRIX-UHFFFAOYSA-N 0 0 330.347 3.738 50 30 EHEARN CCOC(=O)[C@](C#N)(C/C=C/CCOC)[C@](C)(C#N)c1ccccc1 ZINC000044125019 563926154 /nfs/dbraw/zinc/92/61/54/563926154.db2.gz HDVWKTGMFLOJQL-WOPDUGCTSA-N 0 0 340.423 3.524 50 30 EHEARN COc1cc(/C=C\C(=O)c2ccc(C)o2)cc(Br)c1O ZINC000096126347 563929252 /nfs/dbraw/zinc/92/92/52/563929252.db2.gz DLAHNQNXJOEKOL-PLNGDYQASA-N 0 0 337.169 3.961 50 30 EHEARN COc1ccc(C[C@H](C#N)C(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000057525165 563935727 /nfs/dbraw/zinc/93/57/27/563935727.db2.gz BIHVYHAPNCXWSU-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1C(F)(F)F ZINC000096443155 563953211 /nfs/dbraw/zinc/95/32/11/563953211.db2.gz UIQKHHLIWOIWIZ-ZIAGYGMSSA-N 0 0 331.297 3.714 50 30 EHEARN COc1cc2c(cc1OC)[C@@H]1CC(=O)C3=C(C=C(C)CC3)N1CC2 ZINC000071769144 563965594 /nfs/dbraw/zinc/96/55/94/563965594.db2.gz SDRNAXVKUQBIAU-KRWDZBQOSA-N 0 0 325.408 3.570 50 30 EHEARN N#CCCCC[S@@](=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000097083685 563967183 /nfs/dbraw/zinc/96/71/83/563967183.db2.gz OZUNGYDPEVLYRI-FQEVSTJZSA-N 0 0 330.240 3.584 50 30 EHEARN CCSCCNC(=O)c1ccc(-c2cc(C)c(C#N)c(C)n2)cc1 ZINC000584897874 563967541 /nfs/dbraw/zinc/96/75/41/563967541.db2.gz ZCVCPLSJIUELMJ-UHFFFAOYSA-N 0 0 339.464 3.720 50 30 EHEARN COc1cc(Cl)ccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000119518518 563970446 /nfs/dbraw/zinc/97/04/46/563970446.db2.gz FVEGFQUXHIHOTP-ZDUSSCGKSA-N 0 0 339.782 3.725 50 30 EHEARN N#CCc1ccc(NCc2cnc3ccc(Br)cn23)cc1 ZINC000097049493 563971738 /nfs/dbraw/zinc/97/17/38/563971738.db2.gz BKTOMVFDKSLFAZ-UHFFFAOYSA-N 0 0 341.212 3.775 50 30 EHEARN N#CCc1ncc(-c2cc3cc(Br)ccc3oc2=O)s1 ZINC000000092944 563976593 /nfs/dbraw/zinc/97/65/93/563976593.db2.gz PFQKPISJWAMBHT-UHFFFAOYSA-N 0 0 347.193 3.745 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)C[C@H](c1ccccc1)CC2 ZINC000071777095 563983067 /nfs/dbraw/zinc/98/30/67/563983067.db2.gz ZASKYSHGHPKTTD-CQSZACIVSA-N 0 0 345.402 3.560 50 30 EHEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1O ZINC000000150871 563987388 /nfs/dbraw/zinc/98/73/88/563987388.db2.gz UMPROAWIQHDPNU-UHFFFAOYSA-N 0 0 340.375 3.529 50 30 EHEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccccc1-2 ZINC000002603012 563990122 /nfs/dbraw/zinc/99/01/22/563990122.db2.gz PREZZVDIIXVFMA-HNNXBMFYSA-N 0 0 338.392 3.913 50 30 EHEARN C=CCNC(=O)c1c(CC)onc1-c1ccc(Br)cc1 ZINC000225412328 563995894 /nfs/dbraw/zinc/99/58/94/563995894.db2.gz GDDABJWIPXWQRF-UHFFFAOYSA-N 0 0 335.201 3.582 50 30 EHEARN C#Cc1ccc(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1 ZINC000225640262 563995938 /nfs/dbraw/zinc/99/59/38/563995938.db2.gz IIWVDPZUVJUTAD-HXUWFJFHSA-N 0 0 344.458 3.784 50 30 EHEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccco1 ZINC000005249698 564001482 /nfs/dbraw/zinc/00/14/82/564001482.db2.gz JNYDYIVIDLEVMT-YVLHZVERSA-N 0 0 333.299 3.510 50 30 EHEARN Cc1ccc(C(=O)C=C2NCCc3cc4c(cc32)OCCCO4)cc1 ZINC000005354786 564002889 /nfs/dbraw/zinc/00/28/89/564002889.db2.gz ZFIUFIIVEGCDJR-AQTBWJFISA-N 0 0 335.403 3.526 50 30 EHEARN C=CCn1c(SCC(C)=O)nc2scc(-c3ccco3)c2c1=O ZINC000003270674 564004317 /nfs/dbraw/zinc/00/43/17/564004317.db2.gz JEHFPHHGHFEUFY-UHFFFAOYSA-N 0 0 346.433 3.585 50 30 EHEARN CCn1c(SCC#N)nc2scc(-c3cccs3)c2c1=O ZINC000005583407 564005909 /nfs/dbraw/zinc/00/59/09/564005909.db2.gz SLDLIPMWANGBHJ-UHFFFAOYSA-N 0 0 333.463 3.822 50 30 EHEARN C#CCn1c2ccc3ccccc3c2s/c1=N\C(=O)c1ccco1 ZINC000100910080 564017053 /nfs/dbraw/zinc/01/70/53/564017053.db2.gz CUJLDOARYMUUDU-VXPUYCOJSA-N 0 0 332.384 3.823 50 30 EHEARN O=C1ON=C(c2ccccc2)/C1=C/c1cccc(Br)c1 ZINC000018190836 564018587 /nfs/dbraw/zinc/01/85/87/564018587.db2.gz IQWAWXJODIKNMQ-UVTDQMKNSA-N 0 0 328.165 3.794 50 30 EHEARN O=c1[nH][nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O ZINC000018196060 564018664 /nfs/dbraw/zinc/01/86/64/564018664.db2.gz SIPGYFUBVOJYOS-ZDUSSCGKSA-N 0 0 349.777 3.934 50 30 EHEARN CCCCCCC[C@@]1(C)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102792062 564020652 /nfs/dbraw/zinc/02/06/52/564020652.db2.gz PXVRLEMMADNCOV-LJQANCHMSA-N 0 0 327.428 3.729 50 30 EHEARN C=CCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 ZINC000000526913 564021249 /nfs/dbraw/zinc/02/12/49/564021249.db2.gz SWCSGAIDJDRLNC-GFCCVEGCSA-N 0 0 338.411 3.556 50 30 EHEARN N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCCC1 ZINC000103259815 564021989 /nfs/dbraw/zinc/02/19/89/564021989.db2.gz QXPJWKURJOQULX-CYBMUJFWSA-N 0 0 338.379 3.839 50 30 EHEARN CC(C)CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000103503465 564022531 /nfs/dbraw/zinc/02/25/31/564022531.db2.gz PTUGEVHZGHQJGR-GFCCVEGCSA-N 0 0 326.368 3.695 50 30 EHEARN N#Cc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000024842171 564034074 /nfs/dbraw/zinc/03/40/74/564034074.db2.gz GVDDVAFZPSKTHV-UHFFFAOYSA-N 0 0 336.782 3.709 50 30 EHEARN N#CC1CCC(CNC(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000242324425 564052106 /nfs/dbraw/zinc/05/21/06/564052106.db2.gz ZBEGHDGOQPXBJV-RJYAGPCLSA-N 0 0 337.423 3.998 50 30 EHEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 ZINC000252694917 564053584 /nfs/dbraw/zinc/05/35/84/564053584.db2.gz RUQCGCWODJEVJZ-ATNCTUDOSA-N 0 0 346.467 3.661 50 30 EHEARN CCOc1ccc(C2N=NC(=S)N2N=CC=Cc2ccco2)cc1 ZINC000005900372 564056859 /nfs/dbraw/zinc/05/68/59/564056859.db2.gz XRNSLVXQEQBJEP-DXVNTNFESA-N 0 0 340.408 3.773 50 30 EHEARN CSc1ccc(C(=O)CCC(=O)OCc2ccc(C#N)cc2)cc1 ZINC000005918758 564056960 /nfs/dbraw/zinc/05/69/60/564056960.db2.gz SMKXUBYCUMUOHY-UHFFFAOYSA-N 0 0 339.416 3.986 50 30 EHEARN CCOc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000005936860 564057100 /nfs/dbraw/zinc/05/71/00/564057100.db2.gz SGBRSZMNCPYOGV-NSHDSACASA-N 0 0 341.436 3.791 50 30 EHEARN CCCn1ccnc1SCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000012581200 564060022 /nfs/dbraw/zinc/06/00/22/564060022.db2.gz GMFYBZUXGLEXII-UHFFFAOYSA-N 0 0 334.832 3.549 50 30 EHEARN C[C@H](NC(=O)COc1ccccc1C#N)c1ccc2c(c1)CCCC2 ZINC000012581154 564060029 /nfs/dbraw/zinc/06/00/29/564060029.db2.gz MLNDDMLJWKKPLC-HNNXBMFYSA-N 0 0 334.419 3.693 50 30 EHEARN C=CCc1cc(OC)ccc1OC(=O)c1cnn(-c2ccccn2)c1C ZINC000120887886 564060559 /nfs/dbraw/zinc/06/05/59/564060559.db2.gz FVQVOUGGIDVZBG-UHFFFAOYSA-N 0 0 349.390 3.532 50 30 EHEARN COc1ccc(C(C)N=Nc2snc(SC)c2C#N)cc1OC ZINC000004525016 564062648 /nfs/dbraw/zinc/06/26/48/564062648.db2.gz VVEWOGBGSAPZNR-RQZCQDPDSA-N 0 0 348.453 3.590 50 30 EHEARN C#CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000058407075 564065257 /nfs/dbraw/zinc/06/52/57/564065257.db2.gz HVMNYILMBOERPN-GOSISDBHSA-N 0 0 335.363 3.749 50 30 EHEARN Cc1nnc(-c2cccc(C(=O)O[C@@H](C)c3cccc(C#N)c3)c2)o1 ZINC000084291703 564067690 /nfs/dbraw/zinc/06/76/90/564067690.db2.gz PMIFKJITWWBIBT-LBPRGKRZSA-N 0 0 333.347 3.835 50 30 EHEARN N#Cc1ccccc1-c1ccc(Cn2nnc(-c3cccs3)n2)cc1 ZINC000084497840 564068301 /nfs/dbraw/zinc/06/83/01/564068301.db2.gz NZHBDVTXYXKEML-UHFFFAOYSA-N 0 0 343.415 3.989 50 30 EHEARN N#C[C@H](NC(=O)c1ccc(-c2cscn2)cc1)c1ccccc1F ZINC000087279529 564068598 /nfs/dbraw/zinc/06/85/98/564068598.db2.gz IEOHKOURBNIBCK-INIZCTEOSA-N 0 0 337.379 3.944 50 30 EHEARN C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000014009929 564074041 /nfs/dbraw/zinc/07/40/41/564074041.db2.gz TXOOMKBVHXZXQV-GXDHUFHOSA-N 0 0 328.755 3.679 50 30 EHEARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000015829347 564075725 /nfs/dbraw/zinc/07/57/25/564075725.db2.gz AGVQQKMVOQSROJ-GOSISDBHSA-N 0 0 336.391 3.553 50 30 EHEARN C=CCc1cc(C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000024467901 564078834 /nfs/dbraw/zinc/07/88/34/564078834.db2.gz WMCNXXVXLIHLEZ-CQSZACIVSA-N 0 0 325.408 3.923 50 30 EHEARN COc1cc2c(cc1OC)[C@@H]1CC[C@]3(C)/C(=N/O)CCC[C@@H]3[N@@H+]1CC2 ZINC000102197888 564083232 /nfs/dbraw/zinc/08/32/32/564083232.db2.gz NBJFREIVHGTJGX-RCWPLKBWSA-N 0 0 344.455 3.786 50 30 EHEARN N#C[C@]1(c2nc3ccccc3[nH]2)Cc2ccccc2N2CCCC[C@@H]21 ZINC000012970818 564084791 /nfs/dbraw/zinc/08/47/91/564084791.db2.gz RSHQSURFWKZLSY-TZIWHRDSSA-N 0 0 328.419 3.939 50 30 EHEARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000242463457 564088515 /nfs/dbraw/zinc/08/85/15/564088515.db2.gz DBPWSSGDRRHUNT-ZUHHCLADSA-N 0 0 330.468 3.838 50 30 biogenic EHEARN COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OCCCC#N ZINC000064367219 564089453 /nfs/dbraw/zinc/08/94/53/564089453.db2.gz RIXNXXWURKFPHY-UHFFFAOYSA-N 0 0 347.370 3.840 50 30 EHEARN C=CCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000064675713 564095125 /nfs/dbraw/zinc/09/51/25/564095125.db2.gz CFKITBLKXYOVFQ-UHFFFAOYSA-N 0 0 339.826 3.890 50 30 EHEARN N#Cc1ccc(N2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000267479526 564095587 /nfs/dbraw/zinc/09/55/87/564095587.db2.gz BRCQJLHRFQMYNC-BBRMVZONSA-N 0 0 343.408 3.620 50 30 EHEARN CC1(C)Cc2c(C#N)c(NC(=O)NCc3ccccc3)sc2CO1 ZINC000006661500 564095617 /nfs/dbraw/zinc/09/56/17/564095617.db2.gz DJSGAMFDRYATKR-UHFFFAOYSA-N 0 0 341.436 3.793 50 30 EHEARN C=CCSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000006736410 564096655 /nfs/dbraw/zinc/09/66/55/564096655.db2.gz JXDDZELBAJPQNC-UHFFFAOYSA-N 0 0 339.376 3.572 50 30 EHEARN O=C1c2ccccc2C2=NC(=S)N[C@H](c3cccc4ccccc43)C12 ZINC000006942855 564101995 /nfs/dbraw/zinc/10/19/95/564101995.db2.gz VBTXSLLTQCWGKC-GOSISDBHSA-N 0 0 342.423 3.966 50 30 EHEARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000007003152 564103008 /nfs/dbraw/zinc/10/30/08/564103008.db2.gz MPHJBTVWNLJOAE-MRXNPFEDSA-N 0 0 348.450 3.988 50 30 EHEARN Cc1nc(SCC(=O)Nc2ccc(F)c(F)c2)c(C#N)c(C)c1C ZINC000007060211 564103845 /nfs/dbraw/zinc/10/38/45/564103845.db2.gz BSQWCNHVUCDKLT-UHFFFAOYSA-N 0 0 347.390 3.888 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000007544475 564110268 /nfs/dbraw/zinc/11/02/68/564110268.db2.gz BMHLSCNWTJSXFL-AWEZNQCLSA-N 0 0 349.821 3.843 50 30 EHEARN Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1cccs1 ZINC000013596503 564111807 /nfs/dbraw/zinc/11/18/07/564111807.db2.gz NCUVUOHCFBNBKV-SUVYKLBCSA-N 0 0 343.477 3.911 50 30 EHEARN COc1cc(Nc2c(C#N)cnc3ccccc32)cc(OC)c1OC ZINC000016943744 564114958 /nfs/dbraw/zinc/11/49/58/564114958.db2.gz ZKUBRAUNASVGJB-UHFFFAOYSA-N 0 0 335.363 3.876 50 30 EHEARN N#Cc1ccc(C=Nc2ccc(I)cc2)cc1 ZINC000252460882 564118688 /nfs/dbraw/zinc/11/86/88/564118688.db2.gz IVKHXRHCNKRNLB-UHFFFAOYSA-N 0 0 332.144 3.913 50 30 EHEARN N#C[C@@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccccc1Cl ZINC000252489034 564119437 /nfs/dbraw/zinc/11/94/37/564119437.db2.gz JDWAYDBPBYUCTK-WMLDXEAASA-N 0 0 338.794 3.781 50 30 EHEARN N#CCSCC(=O)Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC000194205900 564120463 /nfs/dbraw/zinc/12/04/63/564120463.db2.gz YDXLFSMCQGJXPP-UHFFFAOYSA-N 0 0 340.383 3.564 50 30 EHEARN COc1ccccc1C=NOC(=O)c1cc(F)c(Cl)nc1Cl ZINC000252605173 564121250 /nfs/dbraw/zinc/12/12/50/564121250.db2.gz GHBKTEADALXWKL-UHFFFAOYSA-N 0 0 343.141 3.727 50 30 EHEARN CC(C)n1cc(C#N)c(NC(=O)[C@@H](C)Oc2cccc3ccccc32)n1 ZINC000194545858 564121637 /nfs/dbraw/zinc/12/16/37/564121637.db2.gz XKAHGCCLANEFBL-CQSZACIVSA-N 0 0 348.406 3.895 50 30 EHEARN Cc1ccc(C=NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000252612415 564121848 /nfs/dbraw/zinc/12/18/48/564121848.db2.gz ISQIGZKHVAHODC-UHFFFAOYSA-N 0 0 343.235 3.614 50 30 EHEARN COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccco2)cc1 ZINC000252612770 564121893 /nfs/dbraw/zinc/12/18/93/564121893.db2.gz IWCUPWOZOWVODD-UHFFFAOYSA-N 0 0 345.358 3.547 50 30 EHEARN CC(=O)C(=NNc1ccccc1Cl)Oc1cccc([N+](=O)[O-])c1 ZINC000252631057 564123992 /nfs/dbraw/zinc/12/39/92/564123992.db2.gz VHHIDRZWVRPYLH-UHFFFAOYSA-N 0 0 333.731 3.642 50 30 EHEARN COc1ccc(C=NN2C(=S)N=NC2C2CCCCC2)cc1OC ZINC000253616986 564133234 /nfs/dbraw/zinc/13/32/34/564133234.db2.gz MMGOAOOTTICGBZ-UHFFFAOYSA-N 0 0 346.456 3.514 50 30 EHEARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000000621150 564133524 /nfs/dbraw/zinc/13/35/24/564133524.db2.gz YOUPIRIYYIFHFP-NSHDSACASA-N 0 0 345.196 3.727 50 30 EHEARN CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2(C#N)CC2)c1 ZINC000078878314 564137299 /nfs/dbraw/zinc/13/72/99/564137299.db2.gz PZYCYPTYXXLRIX-UHFFFAOYSA-N 0 0 333.819 3.501 50 30 EHEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nn1C ZINC000079058468 564137784 /nfs/dbraw/zinc/13/77/84/564137784.db2.gz CEGMHIPASBRAFS-UHFFFAOYSA-N 0 0 348.431 3.680 50 30 EHEARN Cc1ccc(C(=O)N(CCC#N)CC2CC2)cc1Oc1ccncc1 ZINC000079361738 564138152 /nfs/dbraw/zinc/13/81/52/564138152.db2.gz AKIIVRUASWSWRU-UHFFFAOYSA-N 0 0 335.407 3.948 50 30 EHEARN C[C@H](NC(=O)C1(C#N)CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000095440208 564140520 /nfs/dbraw/zinc/14/05/20/564140520.db2.gz KKYFOXNFBNSIHU-INIZCTEOSA-N 0 0 336.439 3.583 50 30 EHEARN Cc1ccc(N(CCC#N)C(=O)c2cnc([C@@H]3CCCO3)s2)cc1 ZINC000095445138 564140560 /nfs/dbraw/zinc/14/05/60/564140560.db2.gz DEDVOODXFPAZHC-HNNXBMFYSA-N 0 0 341.436 3.864 50 30 EHEARN COc1cccc(CC(=O)Nc2ccccc2SCCC#N)c1 ZINC000095953526 564142423 /nfs/dbraw/zinc/14/24/23/564142423.db2.gz SYEQBIOLAGONPF-UHFFFAOYSA-N 0 0 326.421 3.882 50 30 EHEARN Cc1ccc(C#N)cc1NC(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000096007949 564144562 /nfs/dbraw/zinc/14/45/62/564144562.db2.gz WNZJQXPSUSLSEP-UHFFFAOYSA-N 0 0 331.379 3.579 50 30 EHEARN C=CCSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1CC=C ZINC000002500847 564150063 /nfs/dbraw/zinc/15/00/63/564150063.db2.gz HCVCKFFTPKSGHZ-UHFFFAOYSA-N 0 0 343.839 3.899 50 30 EHEARN CCCOc1ccc(-c2nc(C#N)c(NC[C@H]3CCCO3)o2)cc1 ZINC000002865648 564152847 /nfs/dbraw/zinc/15/28/47/564152847.db2.gz SEPOOAOQCRJJKS-OAHLLOKOSA-N 0 0 327.384 3.593 50 30 EHEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000002944075 564153131 /nfs/dbraw/zinc/15/31/31/564153131.db2.gz KYJWUVJXXISYEY-UHFFFAOYSA-N 0 0 326.421 3.825 50 30 EHEARN N#C[C@@H](C(=O)c1ccc(Br)s1)c1nc2ccccc2[nH]1 ZINC000003164082 564155546 /nfs/dbraw/zinc/15/55/46/564155546.db2.gz ONDARKWTWSMGQK-QMMMGPOBSA-N 0 0 346.209 3.877 50 30 EHEARN CCOc1ccc2c(c1)/C(=N\N=C1/C[C@H](c3ccccc3)N=N1)C(=O)N2 ZINC000004184917 564161061 /nfs/dbraw/zinc/16/10/61/564161061.db2.gz BVPOIRIJWPPQCZ-WKRZDEFASA-N 0 0 347.378 3.737 50 30 EHEARN N#Cc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000007990927 564162031 /nfs/dbraw/zinc/16/20/31/564162031.db2.gz DQYGWBIIGWNJID-UHFFFAOYSA-N 0 0 328.375 3.874 50 30 EHEARN CO[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000069669605 564171400 /nfs/dbraw/zinc/17/14/00/564171400.db2.gz ULAJVJZJDOJOFA-WCBMZHEXSA-N 0 0 342.342 3.916 50 30 EHEARN CC(C)c1noc(CCCC(=O)N(CCC#N)c2ccc(F)cc2)n1 ZINC000069704414 564171617 /nfs/dbraw/zinc/17/16/17/564171617.db2.gz WKERZHIUDHHEDI-UHFFFAOYSA-N 0 0 344.390 3.602 50 30 EHEARN Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)c1sccc1C1CC1 ZINC000069810073 564172236 /nfs/dbraw/zinc/17/22/36/564172236.db2.gz JAMSRTRJXGMRGJ-OAHLLOKOSA-N 0 0 348.431 3.911 50 30 EHEARN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000069950849 564172884 /nfs/dbraw/zinc/17/28/84/564172884.db2.gz ZIMOSOYCMNRWSO-UHFFFAOYSA-N 0 0 335.367 3.510 50 30 EHEARN CC[C@@H](C)N(Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000069969951 564172939 /nfs/dbraw/zinc/17/29/39/564172939.db2.gz HYRWUBYQZCPBPV-OAHLLOKOSA-N 0 0 346.434 3.595 50 30 EHEARN N#CC1CCN(C(=O)NCC2(c3c(F)cccc3F)CCCC2)CC1 ZINC000071857307 564176107 /nfs/dbraw/zinc/17/61/07/564176107.db2.gz URBVFURIPYWQAJ-UHFFFAOYSA-N 0 0 347.409 3.722 50 30 EHEARN Cc1[nH]c2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000254492100 1018777383 /nfs/dbraw/zinc/77/73/83/1018777383.db2.gz CJWUHXOCFZOHAY-UHFFFAOYSA-N 0 0 339.311 3.739 50 30 EHEARN Cc1n[nH]cc1-c1nnc(NC(=O)c2coc(C3CCCC3)n2)s1 ZINC000328753083 1022480050 /nfs/dbraw/zinc/48/00/50/1022480050.db2.gz SCEVUXHXIYSDJS-UHFFFAOYSA-N 0 0 344.400 3.519 50 30 EHEARN Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCC3)c(C)c1 ZINC000005895260 1027288646 /nfs/dbraw/zinc/28/86/46/1027288646.db2.gz FAZJRJVUKUROGS-UHFFFAOYSA-N 0 0 337.448 3.790 50 30 EHEARN COc1ccccc1N1CCC(Nc2nc3c(cc2C#N)CCC3)CC1 ZINC000329315484 1038664954 /nfs/dbraw/zinc/66/49/54/1038664954.db2.gz AZVKZHHSXFXPRB-UHFFFAOYSA-N 0 0 348.450 3.531 50 30 EHEARN Cc1ccc([C@@H](C)NC(=O)CC2=C(c3ccccc3)CCC2=O)cn1 ZINC000827801528 1131407092 /nfs/dbraw/zinc/40/70/92/1131407092.db2.gz QFVSDNMFDADHJE-OAHLLOKOSA-N 0 0 334.419 3.774 50 30 EHEARN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCCc2ccccc2C1 ZINC000178130960 1130651330 /nfs/dbraw/zinc/65/13/30/1130651330.db2.gz IRJHGGQEOUUSKX-UHFFFAOYSA-N 0 0 334.419 3.691 50 30 EHEARN C=CCc1cc(C(=O)N[C@@H](C)c2c(C)nn(CC)c2C)ccc1OC ZINC000820505621 1130878637 /nfs/dbraw/zinc/87/86/37/1130878637.db2.gz HSRFOTFEYCGOCT-ZDUSSCGKSA-N 0 0 341.455 3.748 50 30 EHEARN N#Cc1nccn1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000581049960 1132242904 /nfs/dbraw/zinc/24/29/04/1132242904.db2.gz OWHSKROKJXXTGW-BBRMVZONSA-N 0 0 335.329 3.941 50 30 EHEARN CC(C)(C)C(=O)N1CCC(COc2ccc(C#N)c(Cl)c2)CC1 ZINC000190257277 1133986292 /nfs/dbraw/zinc/98/62/92/1133986292.db2.gz YDMVNISBJNNLNC-UHFFFAOYSA-N 0 0 334.847 3.875 50 30 EHEARN CC(C)(O)C#Cc1cccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c1 ZINC000952976067 1137484600 /nfs/dbraw/zinc/48/46/00/1137484600.db2.gz YPLSVZNPJKCZBY-IBGZPJMESA-N 0 0 337.394 3.535 50 30 EHEARN C[C@H](/N=C1\SCCN1C(=O)/C=C\c1ccco1)c1ccccc1 ZINC000105083025 1139298690 /nfs/dbraw/zinc/29/86/90/1139298690.db2.gz YOZTVWZOSVIIAM-CVQAOIBHSA-N 0 0 326.421 3.985 50 30 EHEARN CC(=NNc1ccc(C(C)(C)C)cc1)c1nnc2cc(C)nn2c1C ZINC000004738216 210263671 /nfs/dbraw/zinc/26/36/71/210263671.db2.gz RCCZCPZTEBIAAP-MOSHPQCFSA-N 0 0 336.443 3.875 50 30 EHEARN COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)c1O ZINC000004680128 210246369 /nfs/dbraw/zinc/24/63/69/210246369.db2.gz VACKGQWQDRUSSJ-IPGLUOITSA-N 0 0 340.404 3.635 50 30 EHEARN CC(=O)Nc1ccc(/C=C\C(=O)/C=C\c2ccc(NC(C)=O)cc2)cc1 ZINC000004582706 210226663 /nfs/dbraw/zinc/22/66/63/210226663.db2.gz VCHAUTKELJAWIB-PVRNWPCDSA-N 0 0 348.402 3.899 50 30 EHEARN Cc1ccc(C)c(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000004566036 210222320 /nfs/dbraw/zinc/22/23/20/210222320.db2.gz HAMUENLBSOVICG-SFQUDFHCSA-N 0 0 328.328 3.956 50 30 EHEARN Oc1ccc(Br)cc1/C=N/c1ccc2c(c1)OCCO2 ZINC000100037635 219088792 /nfs/dbraw/zinc/08/87/92/219088792.db2.gz GSMNDUPJFMUVMH-RQZCQDPDSA-N 0 0 334.169 3.677 50 30 EHEARN O=C(Cc1nc2ccccc2oc1=O)c1ccc(Br)cc1 ZINC000100055072 219089853 /nfs/dbraw/zinc/08/98/53/219089853.db2.gz FTIXRAOPJQQYIK-LCYFTJDESA-N 0 0 344.164 3.547 50 30 EHEARN O=C1C[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004520711 210212576 /nfs/dbraw/zinc/21/25/76/210212576.db2.gz AYGIHHJXYKHFDQ-OCCSQVGLSA-N 0 0 341.407 3.892 50 30 EHEARN CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004488896 210202371 /nfs/dbraw/zinc/20/23/71/210202371.db2.gz WOZKSKXJRZGEIO-CQSZACIVSA-N 0 0 327.424 3.721 50 30 EHEARN CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004488889 210202334 /nfs/dbraw/zinc/20/23/34/210202334.db2.gz JBNWSJZBROHMPC-HNNXBMFYSA-N 0 0 327.424 3.722 50 30 EHEARN CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000004436064 210192000 /nfs/dbraw/zinc/19/20/00/210192000.db2.gz XUYVBPJHGOPBIR-MRXNPFEDSA-N 0 0 340.452 3.584 50 30 EHEARN CN(C)c1ccc(C=[NH+][N-]c2cnc3ccccc3n2)c(Cl)c1 ZINC000004363996 210180154 /nfs/dbraw/zinc/18/01/54/210180154.db2.gz UCGXATGMGJMWDN-KEBDBYFISA-N 0 0 325.803 3.795 50 30 EHEARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(CCC#N)CCC#N ZINC000004322369 210170344 /nfs/dbraw/zinc/17/03/44/210170344.db2.gz PWRQANHKDJPYRZ-UHFFFAOYSA-N 0 0 342.786 3.573 50 30 EHEARN N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2ccco2)cc1 ZINC000065474592 214923870 /nfs/dbraw/zinc/92/38/70/214923870.db2.gz FWZVPJPQIDAZRY-GJZGRUSLSA-N 0 0 348.324 3.846 50 30 EHEARN CC(C)(C)c1ccc(SCc2cc(=O)n3ncc(C#N)c3[nH]2)cc1 ZINC000065488115 214928095 /nfs/dbraw/zinc/92/80/95/214928095.db2.gz LEDZXAHMZJNVJC-UHFFFAOYSA-N 0 0 338.436 3.896 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000004033365 210104635 /nfs/dbraw/zinc/10/46/35/210104635.db2.gz RRFSBVGYVVIBAB-QGZVFWFLSA-N 0 0 343.430 3.807 50 30 EHEARN COC(=O)c1sccc1N=NCc1ccc(OC(F)(F)F)cc1 ZINC000003909575 210090878 /nfs/dbraw/zinc/09/08/78/210090878.db2.gz GABLCFZNRXFRIX-QGMBQPNBSA-N 0 0 344.314 3.879 50 30 EHEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003445275 210041835 /nfs/dbraw/zinc/04/18/35/210041835.db2.gz ZZCYPELBTLBVFS-JTQLQIEISA-N 0 0 345.742 3.526 50 30 EHEARN CCN(c1ccc(NC(=O)COc2ccccc2C#N)cc1)C(C)C ZINC000003445400 210041545 /nfs/dbraw/zinc/04/15/45/210041545.db2.gz SYTCEMQQWNJYSG-UHFFFAOYSA-N 0 0 337.423 3.810 50 30 EHEARN N#Cc1cccnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066815645 215080333 /nfs/dbraw/zinc/08/03/33/215080333.db2.gz ZQEFLWNYEFCUEY-OAHLLOKOSA-N 0 0 334.206 3.838 50 30 EHEARN COc1cc(C(=O)OCc2ccccc2C#N)ccc1OC(F)F ZINC000003395299 210026542 /nfs/dbraw/zinc/02/65/42/210026542.db2.gz AOMSWUQXWMSESH-UHFFFAOYSA-N 0 0 333.290 3.525 50 30 EHEARN CCOC(=O)c1c(NC=CC(=O)C(F)(F)F)sc2c1CCCC2 ZINC000003310389 210003324 /nfs/dbraw/zinc/00/33/24/210003324.db2.gz GUEVDLSJFXELOU-BQYQJAHWSA-N 0 0 347.358 3.861 50 30 EHEARN Cc1nc(/C=C/C(=O)Nc2cccc(C#Cc3ccccn3)c2)cs1 ZINC000043484218 213583800 /nfs/dbraw/zinc/58/38/00/213583800.db2.gz RZSNAGJBQVFJBP-ZHACJKMWSA-N 0 0 345.427 3.898 50 30 EHEARN O=C1OC(c2ccccc2)=C(C(=S)Nc2ccc(Cl)cc2)C1=O ZINC000003129080 209968323 /nfs/dbraw/zinc/96/83/23/209968323.db2.gz PYTZDXNOSUPAMY-UHFFFAOYSA-N 0 0 343.791 3.617 50 30 EHEARN C=CCOc1ccccc1-c1cc(-c2ccn(C)c2)nc(N)c1C#N ZINC000067672879 215176706 /nfs/dbraw/zinc/17/67/06/215176706.db2.gz WTEGUENWMQMBDP-UHFFFAOYSA-N 0 0 330.391 3.773 50 30 EHEARN N#C[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1Cl ZINC000179483013 233085926 /nfs/dbraw/zinc/08/59/26/233085926.db2.gz AEEOXUPOYAUIMI-STQMWFEESA-N 0 0 347.827 3.643 50 30 EHEARN COc1ccc(Br)cc1NC(=O)c1ccc(C#N)cc1 ZINC000042266464 213489284 /nfs/dbraw/zinc/48/92/84/213489284.db2.gz LFFZMGNRTJBCGX-UHFFFAOYSA-N 0 0 331.169 3.582 50 30 EHEARN C=CCOC(=O)c1cc(OCC)c(OCC=C)cc1Br ZINC000002113584 209820517 /nfs/dbraw/zinc/82/05/17/209820517.db2.gz BPJXEAVFOVFDFM-UHFFFAOYSA-N 0 0 341.201 3.755 50 30 EHEARN C=CCSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2 ZINC000002113901 209820313 /nfs/dbraw/zinc/82/03/13/209820313.db2.gz VKXYHUFFIIWQKD-UHFFFAOYSA-N 0 0 326.425 3.891 50 30 EHEARN Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000069391090 215399312 /nfs/dbraw/zinc/39/93/12/215399312.db2.gz MUIJUKMLAOCZLL-UHFFFAOYSA-N 0 0 349.434 3.969 50 30 EHEARN O=C(/C=C/c1cccc2c1OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040139525 213270654 /nfs/dbraw/zinc/27/06/54/213270654.db2.gz DHBPFKXXMUJPGY-FNORWQNLSA-N 0 0 331.711 3.873 50 30 EHEARN C/N=C1/S/C(=C\c2cc(Cl)cc(Cl)c2OC)C(=O)N1C ZINC000001063173 209705828 /nfs/dbraw/zinc/70/58/28/209705828.db2.gz YDUSZWJBDLGIRD-CFKZRKEXSA-N 0 0 331.224 3.534 50 30 EHEARN N#Cc1c(N)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 ZINC000000870102 209693923 /nfs/dbraw/zinc/69/39/23/209693923.db2.gz NPIIJCBBXKKRLD-UHFFFAOYSA-N 0 0 348.314 3.525 50 30 aggregator EHEARN Cc1ccc(CSCC(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1 ZINC000036714152 213112508 /nfs/dbraw/zinc/11/25/08/213112508.db2.gz SKMIYRMXQGPUTP-UHFFFAOYSA-N 0 0 330.335 3.653 50 30 EHEARN CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(F)cc3)sc2CO1 ZINC000000447335 209605135 /nfs/dbraw/zinc/60/51/35/209605135.db2.gz WNXNYAHMWXFRIT-UHFFFAOYSA-N 0 0 330.384 3.862 50 30 EHEARN Cc1cccc(N2CCc3nc(N)c(C#N)c(-c4ccco4)c3C2)c1 ZINC000071738616 215801231 /nfs/dbraw/zinc/80/12/31/215801231.db2.gz FXISIFAMELXXLK-UHFFFAOYSA-N 0 0 330.391 3.667 50 30 EHEARN N#Cc1cccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 ZINC000071916158 215963504 /nfs/dbraw/zinc/96/35/04/215963504.db2.gz WPGFHNNUFLLMFW-INIZCTEOSA-N 0 0 339.370 3.541 50 30 EHEARN C=CCn1nc(C)c(CCC(=O)Nc2nc3ccccc3s2)c1C ZINC000072242983 216082296 /nfs/dbraw/zinc/08/22/96/216082296.db2.gz MYOPIHAIMUUOLX-UHFFFAOYSA-N 0 0 340.452 3.867 50 30 EHEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000000286872 209518867 /nfs/dbraw/zinc/51/88/67/209518867.db2.gz MVTMNWGEWKIHRT-UHFFFAOYSA-N 0 0 337.423 3.875 50 30 EHEARN Cc1oc(-c2ccsc2)nc1CC(=O)Nc1sccc1C#N ZINC000072318910 216149130 /nfs/dbraw/zinc/14/91/30/216149130.db2.gz GAIOJIJGUJLSKK-UHFFFAOYSA-N 0 0 329.406 3.826 50 30 EHEARN C(=N/n1cnnc1)\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000000048583 209389423 /nfs/dbraw/zinc/38/94/23/209389423.db2.gz YILAOMXYIHGSSQ-FSJBWODESA-N 0 0 328.375 3.893 50 30 EHEARN N#Cc1ccc(Br)c(CO[C@@H]2CCCc3c[nH]nc32)c1 ZINC000191690859 239251437 /nfs/dbraw/zinc/25/14/37/239251437.db2.gz NNJHGHYIMQOWLH-CQSZACIVSA-N 0 0 332.201 3.638 50 30 EHEARN N#Cc1ccc(CN2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000023260203 212364616 /nfs/dbraw/zinc/36/46/16/212364616.db2.gz PVPRHXZMNUXQSX-UHFFFAOYSA-N 0 0 331.872 3.591 50 30 EHEARN CCN1CCc2c(C#N)c(Cl)nc(NCc3ccccc3)c2C1 ZINC000020840835 212175077 /nfs/dbraw/zinc/17/50/77/212175077.db2.gz VSLODAGEQRXWQP-UHFFFAOYSA-N 0 0 326.831 3.597 50 30 EHEARN Cc1cc([O-])c(C[NH+]2CCCC2)c2c1C(=O)/C(=C/c1ccco1)O2 ZINC000020589273 212149929 /nfs/dbraw/zinc/14/99/29/212149929.db2.gz CVFZSUQNCBMEMB-YBEGLDIGSA-N 0 0 325.364 3.506 50 30 EHEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2 ZINC000020533454 212145045 /nfs/dbraw/zinc/14/50/45/212145045.db2.gz NCMMASTUHGZBRF-PXNMLYILSA-N 0 0 347.773 3.863 50 30 EHEARN O=C(/C(=C/c1cccnc1)n1cncn1)c1ccc(Cl)cc1Cl ZINC000020446892 212129905 /nfs/dbraw/zinc/12/99/05/212129905.db2.gz DTSQKGNWBXCQRK-UUASQNMZSA-N 0 0 345.189 3.861 50 30 EHEARN C=CCN1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000020160946 212108148 /nfs/dbraw/zinc/10/81/48/212108148.db2.gz DPLZLAZLOBMMJV-UHFFFAOYSA-N 0 0 338.835 3.638 50 30 EHEARN Cc1ccc(CN2CCN(/N=C/c3ccc(F)cc3)CC2)c(C)c1 ZINC000020188290 212109450 /nfs/dbraw/zinc/10/94/50/212109450.db2.gz NVCJPJZTMGDQSR-HYARGMPZSA-N 0 0 325.431 3.594 50 30 EHEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC(C)(C)OC3 ZINC000013733930 211626047 /nfs/dbraw/zinc/62/60/47/211626047.db2.gz QKQXDGZSTKDMJL-UHFFFAOYSA-N 0 0 348.493 3.773 50 30 EHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000013283199 211542256 /nfs/dbraw/zinc/54/22/56/211542256.db2.gz AOFCQCVBWOGDLH-QGZVFWFLSA-N 0 0 325.408 3.608 50 30 EHEARN Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)[nH]c1C ZINC000012372633 211358554 /nfs/dbraw/zinc/35/85/54/211358554.db2.gz IDHQBNZCHPPKKG-UHFFFAOYSA-N 0 0 346.481 3.569 50 30 EHEARN C=CCN1C(=O)COc2ccc(NC(=O)c3ccccc3Cl)cc21 ZINC000012237185 211327773 /nfs/dbraw/zinc/32/77/73/211327773.db2.gz WSUYWFCGBRCHAV-UHFFFAOYSA-N 0 0 342.782 3.504 50 30 EHEARN N#Cc1cccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 ZINC000011275351 211210337 /nfs/dbraw/zinc/21/03/37/211210337.db2.gz IKNQETGHPWAZOM-UHFFFAOYSA-N 0 0 343.382 3.538 50 30 EHEARN N#Cc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1 ZINC000011084680 211204429 /nfs/dbraw/zinc/20/44/29/211204429.db2.gz XIVKDOKJWUUNQV-UHFFFAOYSA-N 0 0 328.799 3.801 50 30 EHEARN N#Cc1ccc(OCc2nnc(-c3ccc(Br)o3)o2)cc1 ZINC000008982974 211025483 /nfs/dbraw/zinc/02/54/83/211025483.db2.gz ZVXRGBSIEQFNQO-UHFFFAOYSA-N 0 0 346.140 3.543 50 30 EHEARN Cc1nc(CCCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)cs1 ZINC000095408473 218344875 /nfs/dbraw/zinc/34/48/75/218344875.db2.gz WVFULYHCEZITEK-OAHLLOKOSA-N 0 0 333.844 3.809 50 30 EHEARN N#C[C@]1(NC(=O)c2cc(-c3ccccn3)ccc2Cl)CCSC1 ZINC000095438235 218380968 /nfs/dbraw/zinc/38/09/68/218380968.db2.gz HOUIWFHMEIQKDK-QGZVFWFLSA-N 0 0 343.839 3.531 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1O ZINC000006866683 210730907 /nfs/dbraw/zinc/73/09/07/210730907.db2.gz VACYNUSNVMZXRT-FNORWQNLSA-N 0 0 343.335 3.522 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006493592 210640304 /nfs/dbraw/zinc/64/03/04/210640304.db2.gz PRMZVHGCZZEVBX-HNNXBMFYSA-N 0 0 327.767 3.548 50 30 EHEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCCCn1ccnc1 ZINC000096346254 218745409 /nfs/dbraw/zinc/74/54/09/218745409.db2.gz BVJCPUOLMPKJCZ-JKSUJKDBSA-N 0 0 333.395 3.516 50 30 EHEARN CCOc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000005936857 210562725 /nfs/dbraw/zinc/56/27/25/210562725.db2.gz SGBRSZMNCPYOGV-LLVKDONJSA-N 0 0 341.436 3.791 50 30 EHEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O ZINC000005906363 210557670 /nfs/dbraw/zinc/55/76/70/210557670.db2.gz QVWLYNGJKYRZPR-ZDLGFXPLSA-N 0 0 326.348 3.719 50 30 biogenic EHEARN N#CCCCCS(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000096428305 218801309 /nfs/dbraw/zinc/80/13/09/218801309.db2.gz AOYHWFSDTUWUTO-HOTGVXAUSA-N 0 0 340.876 3.589 50 30 EHEARN CCN(C[C@H](C)C#N)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000096466157 218845726 /nfs/dbraw/zinc/84/57/26/218845726.db2.gz BIVSHKLTOYINRY-LLVKDONJSA-N 0 0 335.333 3.543 50 30 EHEARN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC1(C#N)CC1 ZINC000096455703 218840348 /nfs/dbraw/zinc/84/03/48/218840348.db2.gz BKGZPZKDGFCFGR-JTQLQIEISA-N 0 0 331.828 3.541 50 30 EHEARN COc1cc2c(cc1OC)C(=CC(=O)c1ccc(Cl)cc1)NCC2 ZINC000005323362 210439635 /nfs/dbraw/zinc/43/96/35/210439635.db2.gz IBPABWYHUTZUEA-WJDWOHSUSA-N 0 0 343.810 3.727 50 30 EHEARN N#Cc1ccc(C(=O)OCc2ccc(Br)cc2)c(F)c1 ZINC000005059493 210378962 /nfs/dbraw/zinc/37/89/62/210378962.db2.gz SYJLMHMMLIJALL-UHFFFAOYSA-N 0 0 334.144 3.817 50 30 EHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccccc1Cl ZINC000005009222 210360166 /nfs/dbraw/zinc/36/01/66/210360166.db2.gz XPIVBGSSPZQYRQ-UHFFFAOYSA-N 0 0 341.823 3.666 50 30 EHEARN C=CCOc1cccc(-c2nn3c(nnc3-c3ccoc3C)s2)c1 ZINC000004939112 210330236 /nfs/dbraw/zinc/33/02/36/210330236.db2.gz BSWBPRGQVQXZAJ-UHFFFAOYSA-N 0 0 338.392 3.986 50 30 EHEARN C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O ZINC000004943157 210333651 /nfs/dbraw/zinc/33/36/51/210333651.db2.gz YHRSXMWEZUBTRE-SFHVURJKSA-N 0 0 345.446 3.895 50 30 EHEARN CCSC(=O)[C@@H]1CNC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000004844324 210298099 /nfs/dbraw/zinc/29/80/99/210298099.db2.gz QKRQYDBGGPRLNH-SJORKVTESA-N 0 0 349.455 3.877 50 30 EHEARN C/C(=N/N=C1/NC(=O)[C@@H](Cc2ccccc2)S1)c1ccc(C)cc1 ZINC000004866463 210307297 /nfs/dbraw/zinc/30/72/97/210307297.db2.gz ZRIAOIYEYUFHNE-RHTHQAGFSA-N 0 0 337.448 3.549 50 30 EHEARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)CCC#N)cc1 ZINC000004863822 210305467 /nfs/dbraw/zinc/30/54/67/210305467.db2.gz WYLUUVVTYUDDJX-HMMYKYKNSA-N 0 0 344.418 3.843 50 30 EHEARN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCCC2)cc1C ZINC000004516865 257927970 /nfs/dbraw/zinc/92/79/70/257927970.db2.gz JFMRSFNYVFLJPC-UHFFFAOYSA-N 0 0 336.439 3.707 50 30 EHEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C2=O)o1 ZINC000013541349 258001949 /nfs/dbraw/zinc/00/19/49/258001949.db2.gz NCHUYSAZKPINDC-WQRHYEAKSA-N 0 0 339.391 3.896 50 30 biogenic EHEARN C=CCn1c(C)nnc1S[C@@H](CC)C(=O)c1ccc(OC)cc1 ZINC000065487516 258011891 /nfs/dbraw/zinc/01/18/91/258011891.db2.gz GVBWBHOEVZUZOU-HNNXBMFYSA-N 0 0 331.441 3.535 50 30 EHEARN C=CCn1c(SCc2ccc(Cl)cn2)nnc1-c1ccncc1 ZINC000095993752 258012374 /nfs/dbraw/zinc/01/23/74/258012374.db2.gz BMTIMWHWSPMZEN-UHFFFAOYSA-N 0 0 343.843 3.867 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1sc(C)nc1C ZINC000080437032 258014982 /nfs/dbraw/zinc/01/49/82/258014982.db2.gz VMPXVUUWBPTKLN-UHFFFAOYSA-N 0 0 340.452 3.529 50 30 EHEARN COc1cccc(CNC(=S)Nc2cc(OC)ccc2OC)c1 ZINC000013497372 258056153 /nfs/dbraw/zinc/05/61/53/258056153.db2.gz WNWXAQPJXZPNJV-UHFFFAOYSA-N 0 0 332.425 3.610 50 30 EHEARN CCCOc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019913163 258057040 /nfs/dbraw/zinc/05/70/40/258057040.db2.gz HDVUJDVWOVUUIP-OQKWZONESA-N 0 0 337.467 3.627 50 30 EHEARN Cc1cccc(C)c1OC1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000052426294 132183289 /nfs/dbraw/zinc/18/32/89/132183289.db2.gz MSAGUWXMFDGMTI-UHFFFAOYSA-N 0 0 336.439 3.630 50 30 EHEARN C[C@H]1CCc2ccccc2N1CC(=O)NC1(C#N)CCCCCC1 ZINC000058407609 132804029 /nfs/dbraw/zinc/80/40/29/132804029.db2.gz QPDLDZZJSAOGDB-INIZCTEOSA-N 0 0 325.456 3.560 50 30 EHEARN N#Cc1ccc(NC(=O)CN2CCCc3ccccc32)cc1Cl ZINC000002726656 135658433 /nfs/dbraw/zinc/65/84/33/135658433.db2.gz AXVZIQUQDPFPCE-UHFFFAOYSA-N 0 0 325.799 3.603 50 30 EHEARN CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Cl)cc1Br ZINC000122688473 222137854 /nfs/dbraw/zinc/13/78/54/222137854.db2.gz NVJAEUQQJGYOEU-LLVKDONJSA-N 0 0 329.625 3.771 50 30 EHEARN C=CCNC(=S)N(Cc1ccc(Cl)cc1)Cc1ccccn1 ZINC000005830663 518949355 /nfs/dbraw/zinc/94/93/55/518949355.db2.gz GBPUMOSJYBFSNU-UHFFFAOYSA-N 0 0 331.872 3.798 50 30 EHEARN C=CCn1c(COc2cccc3ccc(C)nc32)nnc1SC ZINC000000619888 519188948 /nfs/dbraw/zinc/18/89/48/519188948.db2.gz XSOUZCVFQGFOHW-UHFFFAOYSA-N 0 0 326.425 3.622 50 30 EHEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccccn1 ZINC000005046915 519233327 /nfs/dbraw/zinc/23/33/27/519233327.db2.gz JUBSGUHGVZGBQI-UHFFFAOYSA-N 0 0 336.420 3.501 50 30 EHEARN CCN(CCC#N)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000064111336 520980162 /nfs/dbraw/zinc/98/01/62/520980162.db2.gz IXSPQZNSGAYIJY-UHFFFAOYSA-N 0 0 341.484 3.533 50 30 EHEARN COc1ccc(-c2nc(N=NCc3ccc(O)cc3)sc2C)cc1 ZINC000005678571 523072245 /nfs/dbraw/zinc/07/22/45/523072245.db2.gz CIDBHRPIJVVOHY-YBFXNURJSA-N 0 0 339.420 3.701 50 30 EHEARN COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccccc1 ZINC000004510911 524629743 /nfs/dbraw/zinc/62/97/43/524629743.db2.gz RURINRTWHJYAIX-UHFFFAOYSA-N 0 0 346.390 3.725 50 30 EHEARN COc1ccc(OC)c(NC=CC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000000352466 524842972 /nfs/dbraw/zinc/84/29/72/524842972.db2.gz SWDYEVXRGXVNCT-MDZDMXLPSA-N 0 0 343.379 3.530 50 30 EHEARN C[C@H](NC(=O)CSCC#N)c1ccccc1Oc1ccccc1 ZINC000071853708 524975124 /nfs/dbraw/zinc/97/51/24/524975124.db2.gz DCIVTHPQYPCMQH-AWEZNQCLSA-N 0 0 326.421 3.913 50 30 EHEARN Cc1nnc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000011577534 526377749 /nfs/dbraw/zinc/37/77/49/526377749.db2.gz XYQQHPZNZRRMJG-UHFFFAOYSA-N 0 0 346.481 3.502 50 30 EHEARN C=CCN(c1ccccc1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158744048 526385645 /nfs/dbraw/zinc/38/56/45/526385645.db2.gz OBROUDFELWGPFB-UHFFFAOYSA-N 0 0 343.235 3.770 50 30 EHEARN N#CC1(NC(=O)CNc2ccccc2Oc2ccccc2)CCCC1 ZINC000030290752 526435708 /nfs/dbraw/zinc/43/57/08/526435708.db2.gz WIHZBSCWIQVYNU-UHFFFAOYSA-N 0 0 335.407 3.843 50 30 EHEARN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C2CCCC2)C(F)(F)F)no1 ZINC000328588542 527046919 /nfs/dbraw/zinc/04/69/19/527046919.db2.gz HZDDHUVXLBGVEU-RYUDHWBXSA-N 0 0 346.353 3.550 50 30 EHEARN Cc1ccc(N2CCN(/N=C/c3c(F)cccc3Cl)CC2)cc1 ZINC000000136696 563240568 /nfs/dbraw/zinc/24/05/68/563240568.db2.gz CQIHQNRMIQMOMT-FYJGNVAPSA-N 0 0 331.822 3.944 50 30 EHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 ZINC000002055298 563420204 /nfs/dbraw/zinc/42/02/04/563420204.db2.gz HEOHYTKTTBLFJW-SFHVURJKSA-N 0 0 341.382 3.523 50 30 EHEARN CC1(C)CC2=C(C(=O)C1)[C@](Nc1ccccc1)(C(F)(F)F)C(=O)O2 ZINC000002428221 563432037 /nfs/dbraw/zinc/43/20/37/563432037.db2.gz FPSAFZHKLNUNBF-MRXNPFEDSA-N 0 0 339.313 3.600 50 30 EHEARN CN1C(=O)N[C@@H](c2cccc(Cl)c2Cl)C2=C1CCCC2=O ZINC000002701529 563446178 /nfs/dbraw/zinc/44/61/78/563446178.db2.gz DBMQOXLMFWFGLX-AWEZNQCLSA-N 0 0 325.195 3.697 50 30 EHEARN CC[C@H](C(=O)[C@H](C#N)c1nccn1CC(F)(F)F)c1ccccc1 ZINC000071913665 563600834 /nfs/dbraw/zinc/60/08/34/563600834.db2.gz YSEBXNYUSARLGJ-KBPBESRZSA-N 0 0 335.329 3.815 50 30 EHEARN COc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(C)=O)cc1 ZINC000013773865 563722577 /nfs/dbraw/zinc/72/25/77/563722577.db2.gz VJWAUYXCVKTAJC-BOPFTXTBSA-N 0 0 325.389 3.878 50 30 EHEARN Cc1cc(C)cc(-c2nn(CN(CCC#N)CCC#N)c(=S)o2)c1 ZINC000014197150 563749339 /nfs/dbraw/zinc/74/93/39/563749339.db2.gz KQGWXNVSYJUDCD-UHFFFAOYSA-N 0 0 341.440 3.576 50 30 EHEARN Oc1ccc(Br)cc1CN=Nc1ncnc2ccccc21 ZINC000004536738 563760146 /nfs/dbraw/zinc/76/01/46/563760146.db2.gz SGZLVIMOMBSQLL-UFWORHAWSA-N 0 0 343.184 3.544 50 30 EHEARN Brc1cccc(/C=N\N2CCN(c3ccccc3)CC2)c1 ZINC000015685381 563790577 /nfs/dbraw/zinc/79/05/77/563790577.db2.gz OFRHESBLIQXAEN-RGEXLXHISA-N 0 0 344.256 3.605 50 30 EHEARN COc1cc(/C=N/O)ccc1OCc1ccc(Br)cc1 ZINC000016214588 563806007 /nfs/dbraw/zinc/80/60/07/563806007.db2.gz LMOKKUFIMIOPHH-RQZCQDPDSA-N 0 0 336.185 3.845 50 30 EHEARN CCCc1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2)cc1 ZINC000017067295 563831314 /nfs/dbraw/zinc/83/13/14/563831314.db2.gz CSQBVWWPLKLLOV-KAQMMXOMSA-N 0 0 328.437 3.617 50 30 EHEARN Cc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(C#N)c3)c(N)c21 ZINC000032929466 563839530 /nfs/dbraw/zinc/83/95/30/563839530.db2.gz YYPYQOLSOZCVPP-UHFFFAOYSA-N 0 0 349.419 3.583 50 30 EHEARN C=CCO[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000072288545 563908400 /nfs/dbraw/zinc/90/84/00/563908400.db2.gz LCIREXGLPMJFHR-MAUKXSAKSA-N 0 0 339.439 3.640 50 30 EHEARN CC(C)Oc1ccc(C#N)cc1NCc1nccn1CC(F)(F)F ZINC000072301923 563912910 /nfs/dbraw/zinc/91/29/10/563912910.db2.gz KEDKOSUKDCNDDM-UHFFFAOYSA-N 0 0 338.333 3.716 50 30 EHEARN N#Cc1c2ccccc2[nH]c1OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000072311109 563918212 /nfs/dbraw/zinc/91/82/12/563918212.db2.gz NYTOOWDVHRGSKN-KSSFIOAISA-N 0 0 337.423 3.600 50 30 EHEARN C[C@H](ON=C(N)c1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000072311197 563918225 /nfs/dbraw/zinc/91/82/25/563918225.db2.gz HHMSBAKOWKXUDW-LBPRGKRZSA-N 0 0 325.343 3.879 50 30 EHEARN N#Cc1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000032971464 563920144 /nfs/dbraw/zinc/92/01/44/563920144.db2.gz JEQTUKAQUOXIHE-UHFFFAOYSA-N 0 0 330.347 3.738 50 30 EHEARN Cc1cc(C)n(-c2nc(C)cc(N=NCc3cccc(Cl)c3)n2)n1 ZINC000004591016 563924787 /nfs/dbraw/zinc/92/47/87/563924787.db2.gz YIOUNHISXQMMEG-VXLYETTFSA-N 0 0 340.818 3.687 50 30 EHEARN CSc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 ZINC000096420353 563951528 /nfs/dbraw/zinc/95/15/28/563951528.db2.gz DSBFUYAEFFPESR-BXUZGUMPSA-N 0 0 332.450 3.817 50 30 EHEARN COc1ccc(CNc2c(Cl)cccc2C#N)cc1NC(C)=O ZINC000096429348 563952393 /nfs/dbraw/zinc/95/23/93/563952393.db2.gz SEDQAYNIQDOCIN-UHFFFAOYSA-N 0 0 329.787 3.791 50 30 EHEARN COCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2C)o1 ZINC000097094983 563967418 /nfs/dbraw/zinc/96/74/18/563967418.db2.gz UWVROAWSHNZROY-KRWDZBQOSA-N 0 0 339.395 3.975 50 30 EHEARN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(C#N)CC1 ZINC000097055336 563971838 /nfs/dbraw/zinc/97/18/38/563971838.db2.gz PZTZCVSCADHUGB-GFCCVEGCSA-N 0 0 339.361 3.582 50 30 EHEARN COc1ccc(C)cc1[C@@H](CCOS(C)(=O)=O)c1ccccc1 ZINC000085221600 563973737 /nfs/dbraw/zinc/97/37/37/563973737.db2.gz JOIVYXLJSDLFGQ-INIZCTEOSA-N 0 0 334.437 3.502 50 30 EHEARN N#Cc1c(N)nc(-c2cc[nH]c2)cc1-c1cc(F)ccc1-n1cccn1 ZINC000071745934 563982916 /nfs/dbraw/zinc/98/29/16/563982916.db2.gz KCQBJERVEQTYCY-UHFFFAOYSA-N 0 0 344.353 3.522 50 30 EHEARN Cc1ccc(S(=O)(=O)/N=C/c2ccc(C(F)(F)F)cc2)cc1 ZINC000000121506 563997590 /nfs/dbraw/zinc/99/75/90/563997590.db2.gz PORBHQWXDLUOLN-VXLYETTFSA-N 0 0 327.327 3.822 50 30 EHEARN Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C#N)c(C)c1C ZINC000005172639 563999919 /nfs/dbraw/zinc/99/99/19/563999919.db2.gz JTJDMLIDTCJONQ-BWACUDIHSA-N 0 0 345.512 3.912 50 30 EHEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1cccs1 ZINC000005190314 564000259 /nfs/dbraw/zinc/00/02/59/564000259.db2.gz QQWCBBJHJCQWPB-YBEGLDIGSA-N 0 0 349.367 3.979 50 30 EHEARN COc1cc(C#N)ccc1O[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000018260279 564019044 /nfs/dbraw/zinc/01/90/44/564019044.db2.gz PVLVHDFCGVEHMU-JTQLQIEISA-N 0 0 327.365 3.818 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000000531257 564021624 /nfs/dbraw/zinc/02/16/24/564021624.db2.gz CJHQBGKVZOBKFL-HNNXBMFYSA-N 0 0 347.418 3.751 50 30 EHEARN Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]C1CCCCCC1 ZINC000103246661 564021947 /nfs/dbraw/zinc/02/19/47/564021947.db2.gz CNABHDIBIGNFMT-UNOMPAQXSA-N 0 0 342.399 3.524 50 30 EHEARN COc1ccc2ccccc2c1C=Nn1c(C)nc2ccccc2c1=O ZINC000000535745 564022108 /nfs/dbraw/zinc/02/21/08/564022108.db2.gz VEARELOKAMDPEW-UHFFFAOYSA-N 0 0 343.386 3.749 50 30 EHEARN N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccco1 ZINC000103503462 564022555 /nfs/dbraw/zinc/02/25/55/564022555.db2.gz XKRKTVXDSIEKQV-NSHDSACASA-N 0 0 336.319 3.555 50 30 EHEARN CCCC(Nc1ccccc1)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000103918063 564023345 /nfs/dbraw/zinc/02/33/45/564023345.db2.gz MLTIXQLVYSNMBK-WAIALKQBSA-N 0 0 343.423 3.510 50 30 EHEARN COc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1OCCCC#N ZINC000105468233 564025202 /nfs/dbraw/zinc/02/52/02/564025202.db2.gz IQTJZRBJOANGCQ-QGZVFWFLSA-N 0 0 338.407 3.601 50 30 EHEARN Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(C#N)c3)cc2F)n1 ZINC000047409356 564026289 /nfs/dbraw/zinc/02/62/89/564026289.db2.gz CEJOQQPPAPMWBF-UHFFFAOYSA-N 0 0 334.354 3.752 50 30 EHEARN O=C(C=C1NC[C@H](c2ccccc2)O1)c1ccc(Br)cc1 ZINC000106275588 564026320 /nfs/dbraw/zinc/02/63/20/564026320.db2.gz MSNXVVAKZDTMJS-FNTDYBJHSA-N 0 0 344.208 3.834 50 30 EHEARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CCc1ccc(C#N)cc1 ZINC000024616243 564029695 /nfs/dbraw/zinc/02/96/95/564029695.db2.gz RWQHQQZSCOUCQV-UHFFFAOYSA-N 0 0 340.398 3.687 50 30 EHEARN CN(C)c1ccc(C(=O)/C=C/c2csc(-c3ncccn3)n2)cc1 ZINC000048310728 564030809 /nfs/dbraw/zinc/03/08/09/564030809.db2.gz GJFOWMAWMQPGCV-RMKNXTFCSA-N 0 0 336.420 3.562 50 30 EHEARN N#Cc1ccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])c1 ZINC000048302949 564030871 /nfs/dbraw/zinc/03/08/71/564030871.db2.gz LCIRGNGRIBEUPL-INIZCTEOSA-N 0 0 339.351 3.768 50 30 EHEARN C=CCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1OCC ZINC000002840226 564036029 /nfs/dbraw/zinc/03/60/29/564036029.db2.gz QWNIXXYCQKJIFC-PTNGSMBKSA-N 0 0 333.409 3.706 50 30 EHEARN C=CCOc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 ZINC000002893966 564036261 /nfs/dbraw/zinc/03/62/61/564036261.db2.gz BRGWWVQQENPRJV-UHFFFAOYSA-N 0 0 339.435 3.827 50 30 EHEARN Cn1c(COc2ccccc2)nnc1S[C@@H](C#N)C1CCCCC1 ZINC000124489653 564051372 /nfs/dbraw/zinc/05/13/72/564051372.db2.gz BULCRPKWWAEUOB-INIZCTEOSA-N 0 0 342.468 3.959 50 30 EHEARN C=CCNc1nc(-c2c(C)n(C3CC3)c(C)c2C(=O)OC)cs1 ZINC000015453827 564063368 /nfs/dbraw/zinc/06/33/68/564063368.db2.gz CIPCGAVPYZJBNK-UHFFFAOYSA-N 0 0 331.441 3.948 50 30 EHEARN CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 ZINC000063845153 564066403 /nfs/dbraw/zinc/06/64/03/564066403.db2.gz ILPAWABRZJJHRX-UHFFFAOYSA-N 0 0 335.403 3.565 50 30 EHEARN N#CCCN(CCC(F)(F)F)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000084581826 564068776 /nfs/dbraw/zinc/06/87/76/564068776.db2.gz HXVINUCHMLWXKO-NVXWUHKLSA-N 0 0 336.357 3.585 50 30 EHEARN N#Cc1ccc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)cc1 ZINC000012786979 564070345 /nfs/dbraw/zinc/07/03/45/564070345.db2.gz UNOUGUMNFMOJKP-ZROIWOOFSA-N 0 0 340.285 3.504 50 30 EHEARN Cn1c2ccccc2n(Cc2ccc(-c3ccccc3C#N)cc2)c1=O ZINC000012820020 564073323 /nfs/dbraw/zinc/07/33/23/564073323.db2.gz NCWIQUWOYUUQEN-UHFFFAOYSA-N 0 0 339.398 3.927 50 30 EHEARN C=CCN(C(=O)c1cnc(C)cn1)c1nc(-c2ccccc2)cs1 ZINC000014095017 564074096 /nfs/dbraw/zinc/07/40/96/564074096.db2.gz YWRRUQIWRLIPPX-UHFFFAOYSA-N 0 0 336.420 3.741 50 30 EHEARN C#C[C@](C)(CC)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000001424337 564074706 /nfs/dbraw/zinc/07/47/06/564074706.db2.gz ABWXAKMHJTYRRS-MRXNPFEDSA-N 0 0 338.190 3.632 50 30 EHEARN C[C@@H](ON=C(N)c1ccsc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000075147254 564080760 /nfs/dbraw/zinc/08/07/60/564080760.db2.gz HXSICPQOTKPIOF-SECBINFHSA-N 0 0 348.815 3.850 50 30 EHEARN O[C@@H](C#Cc1ccccc1)c1ccccc1[C@@H](O)C#Cc1ccccc1 ZINC000075278907 564081422 /nfs/dbraw/zinc/08/14/22/564081422.db2.gz DXQRJFBELMSSGG-ZEQRLZLVSA-N 0 0 338.406 3.857 50 30 EHEARN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cnc(-c2ccccc2)s1 ZINC000053527639 564081889 /nfs/dbraw/zinc/08/18/89/564081889.db2.gz ISBAGPOZEJAUTG-UHFFFAOYSA-N 0 0 348.391 3.627 50 30 EHEARN COc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000006253628 564083299 /nfs/dbraw/zinc/08/32/99/564083299.db2.gz NYSNFKADKGDWMJ-LBPRGKRZSA-N 0 0 340.448 3.934 50 30 EHEARN CCc1nc2cc(NC(=O)N(CCC#N)Cc3ccccn3)ccc2o1 ZINC000089295828 564089488 /nfs/dbraw/zinc/08/94/88/564089488.db2.gz UELHAXURCUQRAP-UHFFFAOYSA-N 0 0 349.394 3.733 50 30 EHEARN CC(C)[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)c2ccccc2N1 ZINC000078998115 564089522 /nfs/dbraw/zinc/08/95/22/564089522.db2.gz UBSXXIWNUCRLDT-IBGZPJMESA-N 0 0 349.434 3.615 50 30 EHEARN Cn1nccc1-c1cccc(-c2noc(-c3ccc(C#N)cc3)n2)c1 ZINC000065137216 564101490 /nfs/dbraw/zinc/10/14/90/564101490.db2.gz JAKQRTWRHCTWJM-UHFFFAOYSA-N 0 0 327.347 3.676 50 30 EHEARN N#Cc1ccccc1OCC(=O)OCc1ccc(Cl)cc1Cl ZINC000007058616 564104021 /nfs/dbraw/zinc/10/40/21/564104021.db2.gz LUAXQERVTZSVHD-UHFFFAOYSA-N 0 0 336.174 3.987 50 30 EHEARN COCc1c2ccccc2oc1C(=O)N[C@@H](C#N)c1ccccc1F ZINC000065537691 564107268 /nfs/dbraw/zinc/10/72/68/564107268.db2.gz ZQXQRKLSVBKGNE-INIZCTEOSA-N 0 0 338.338 3.713 50 30 EHEARN C#CCN(CC(=O)N1CCCc2ccccc21)[C@H]1CCc2ccccc21 ZINC000065550417 564107424 /nfs/dbraw/zinc/10/74/24/564107424.db2.gz WUJCZIWVTGDRRZ-QFIPXVFZSA-N 0 0 344.458 3.589 50 30 EHEARN C#Cc1cccc(N(C(=O)c2cc(C)nc3c2c(C)nn3C)C(C)C)c1 ZINC000065552203 564107456 /nfs/dbraw/zinc/10/74/56/564107456.db2.gz FNWUDSUGXLAXSG-UHFFFAOYSA-N 0 0 346.434 3.622 50 30 EHEARN COc1ccc(N[C@H](C)C(=O)Nc2ccccc2C#N)cc1Cl ZINC000007389763 564107718 /nfs/dbraw/zinc/10/77/18/564107718.db2.gz ANCOTMVMAAMPAE-LLVKDONJSA-N 0 0 329.787 3.659 50 30 EHEARN Cc1noc(C)c1[C@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000076062773 564115182 /nfs/dbraw/zinc/11/51/82/564115182.db2.gz ASVGVVMMAWIZQP-VIFPVBQESA-N 0 0 337.339 3.793 50 30 EHEARN N#C[C@H]1CCC[C@@H](Nc2cccc(C(=O)NCc3ccccn3)c2)C1 ZINC000193100878 564118392 /nfs/dbraw/zinc/11/83/92/564118392.db2.gz NSCYIDXAYITMMF-DOTOQJQBSA-N 0 0 334.423 3.506 50 30 EHEARN CC[C@@]1(C)NC(=O)N(N=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000252452721 564118576 /nfs/dbraw/zinc/11/85/76/564118576.db2.gz YCUURBQJZKXVNV-QGZVFWFLSA-N 0 0 345.786 3.654 50 30 EHEARN Cc1c(N=Cc2ccc(F)c(F)c2)c(=O)n(-c2ccccc2)n1C ZINC000252458549 564118607 /nfs/dbraw/zinc/11/86/07/564118607.db2.gz QPYFDKYJYFTINH-UHFFFAOYSA-N 0 0 327.334 3.513 50 30 EHEARN N#Cc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c[nH]1 ZINC000194057644 564120391 /nfs/dbraw/zinc/12/03/91/564120391.db2.gz CNXRJFJOHGTDHI-SFHVURJKSA-N 0 0 345.406 3.644 50 30 EHEARN O=C(ON=C(c1ccccc1)c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000252615173 564122017 /nfs/dbraw/zinc/12/20/17/564122017.db2.gz JQEMGCIEJLNKSV-UHFFFAOYSA-N 0 0 347.330 3.599 50 30 EHEARN CSc1ccccc1NC(=O)COc1ccc(C#N)cc1Cl ZINC000007856161 564124272 /nfs/dbraw/zinc/12/42/72/564124272.db2.gz HPRUOGWCVUNEEB-UHFFFAOYSA-N 0 0 332.812 3.951 50 30 EHEARN COc1ccc(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl ZINC000252639558 564124603 /nfs/dbraw/zinc/12/46/03/564124603.db2.gz YLSQBASPDMDNMC-UHFFFAOYSA-N 0 0 334.715 3.736 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2cc(C)on2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000001451288 564124986 /nfs/dbraw/zinc/12/49/86/564124986.db2.gz JNRABYZIQNEOJQ-QGZVFWFLSA-N 0 0 340.379 3.595 50 30 EHEARN C=CCN(CC(F)(F)F)C(=O)c1ccnc(-c2ccccc2)c1N ZINC000253417913 564130846 /nfs/dbraw/zinc/13/08/46/564130846.db2.gz IQLJZCOGDJEWNA-UHFFFAOYSA-N 0 0 335.329 3.521 50 30 EHEARN Cc1oc(C#N)cc1C(=O)N(C)c1nc2ccc(Cl)cc2s1 ZINC000253429235 564131312 /nfs/dbraw/zinc/13/13/12/564131312.db2.gz SJNDDCONTURVIF-UHFFFAOYSA-N 0 0 331.784 3.999 50 30 EHEARN CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000254339422 564134071 /nfs/dbraw/zinc/13/40/71/564134071.db2.gz BIVGVJKEXZWCDK-HNNXBMFYSA-N 0 0 326.396 3.771 50 30 EHEARN CSc1cccc(F)c1C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328586613 564136514 /nfs/dbraw/zinc/13/65/14/564136514.db2.gz LEBUDZFBEUKUAM-LBPRGKRZSA-N 0 0 333.432 3.935 50 30 EHEARN C[C@@H]1CN(C(=O)Nc2cn(Cc3ccccc3)nn2)[C@@H]1c1ccccc1 ZINC000328587964 564136593 /nfs/dbraw/zinc/13/65/93/564136593.db2.gz KPUYZJUVTJKQRQ-BEFAXECRSA-N 0 0 347.422 3.565 50 30 EHEARN N#Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)ccc1Cl ZINC000095462468 564140817 /nfs/dbraw/zinc/14/08/17/564140817.db2.gz CUHVTBDSZDRGOS-UHFFFAOYSA-N 0 0 335.190 3.674 50 30 EHEARN O=C(Cn1ccc2ccc(Cl)cc21)Nc1n[nH]c([C@@H]2CCCO2)n1 ZINC000095477106 564141480 /nfs/dbraw/zinc/14/14/80/564141480.db2.gz BPCPLLGRGLLGHI-ZDUSSCGKSA-N 0 0 345.790 3.553 50 30 EHEARN N#CCCSc1ccccc1NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000095953606 564142397 /nfs/dbraw/zinc/14/23/97/564142397.db2.gz GZXDUMSLJJTUML-UHFFFAOYSA-N 0 0 349.415 3.786 50 30 EHEARN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccco1 ZINC000095953623 564142406 /nfs/dbraw/zinc/14/24/06/564142406.db2.gz AHYYGNPXNXWPGP-CQSZACIVSA-N 0 0 343.452 3.744 50 30 EHEARN Cc1nnc(SCc2csc([C@H]3CCCO3)n2)c(C#N)c1C ZINC000096004633 564144493 /nfs/dbraw/zinc/14/44/93/564144493.db2.gz OINNUVQTPAACOW-CYBMUJFWSA-N 0 0 332.454 3.565 50 30 EHEARN CN(CC#N)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000096408404 564147506 /nfs/dbraw/zinc/14/75/06/564147506.db2.gz QNPRBAXAMRWWBO-UHFFFAOYSA-N 0 0 325.755 3.600 50 30 EHEARN Cc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2ccc(N(C)C)cc2)cc1 ZINC000003269813 564156808 /nfs/dbraw/zinc/15/68/08/564156808.db2.gz TYBNIGXOUHDIMX-UHFFFAOYSA-N 0 0 341.418 3.844 50 30 EHEARN CCN1c2ccc(NC(=O)c3ccc(C#N)cc3)c3cccc(c23)C1=O ZINC000003287501 564157022 /nfs/dbraw/zinc/15/70/22/564157022.db2.gz MVSKWPKQXUWAGQ-UHFFFAOYSA-N 0 0 341.370 3.944 50 30 EHEARN Cc1nc(NC(=O)c2cc(C)cc3cn[nH]c32)sc1SCC#N ZINC000069414494 564169200 /nfs/dbraw/zinc/16/92/00/564169200.db2.gz QYJODDYNWBJWFF-UHFFFAOYSA-N 0 0 343.437 3.504 50 30 EHEARN N#Cc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000041788392 564174369 /nfs/dbraw/zinc/17/43/69/564174369.db2.gz HLXVYCYKFATHLY-GNISGLHKSA-N 0 0 342.402 3.811 50 30 EHEARN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1Br)c1ccccn1 ZINC000071850169 564175985 /nfs/dbraw/zinc/17/59/85/564175985.db2.gz QLVDARAVZQQIMR-IHRRRGAJSA-N 0 0 341.208 3.824 50 30 EHEARN CC[C@H](C)N(Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000071856397 564176070 /nfs/dbraw/zinc/17/60/70/564176070.db2.gz BKQVSQMSWMLNKL-HNNXBMFYSA-N 0 0 346.434 3.595 50 30 EHEARN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1csc2ccccc21 ZINC000071880100 564176345 /nfs/dbraw/zinc/17/63/45/564176345.db2.gz HVOHYNOUMNDHOY-LBPRGKRZSA-N 0 0 349.415 3.589 50 30 EHEARN C=CCN1C(=O)C(C#N)=C(C)C(=NNc2ccc(C(C)=O)cc2)C1=O ZINC000252636962 568422016 /nfs/dbraw/zinc/42/20/16/568422016.db2.gz XOKIQZVUJZPMQU-UHFFFAOYSA-N 0 0 336.351 3.538 50 30 EHEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC[C@@H]1CCCO1 ZINC000000352602 568422644 /nfs/dbraw/zinc/42/26/44/568422644.db2.gz PPMRSEOOCQYDCH-AWEZNQCLSA-N 0 0 334.423 3.821 50 30 EHEARN COc1cc(OC)c(C(=O)/C=C\c2cccc3c2OCO3)cc1Cl ZINC000098008633 1016823011 /nfs/dbraw/zinc/82/30/11/1016823011.db2.gz MDZVJYKTCUYMKW-SREVYHEPSA-N 0 0 346.766 3.982 50 30 EHEARN Cc1nn(C)c(C)c1[C@H](NC(=O)c1ncoc1C1CC1)C(F)(F)F ZINC000328924650 1037777720 /nfs/dbraw/zinc/77/77/20/1037777720.db2.gz VOICRXASIHCMCR-ZDUSSCGKSA-N 0 0 342.321 3.511 50 30 EHEARN C[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)CC1 ZINC000329380704 1039044365 /nfs/dbraw/zinc/04/43/65/1039044365.db2.gz NQLXIUXJNAIVBS-OIISXLGYSA-N 0 0 345.491 3.503 50 30 EHEARN COc1cccc(C=NOCc2cc(F)cc3cccnc32)c1OC ZINC000254488141 1039959214 /nfs/dbraw/zinc/95/92/14/1039959214.db2.gz SELCKNNIMOOOBK-UHFFFAOYSA-N 0 0 340.354 3.942 50 30 EHEARN O=C(/C=C/c1ccsc1)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000005127646 1042850465 /nfs/dbraw/zinc/85/04/65/1042850465.db2.gz DXMAQDJVRMEGRS-FPYGCLRLSA-N 0 0 341.432 3.645 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)N=N1 ZINC000952879516 1137483178 /nfs/dbraw/zinc/48/31/78/1137483178.db2.gz FDDHJKZDBHAOFB-WMZOPIPTSA-N 0 0 343.402 3.518 50 30 EHEARN C#CCCC1(CCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)N=N1 ZINC000952882188 1137483452 /nfs/dbraw/zinc/48/34/52/1137483452.db2.gz SDQGDUKQDXNMCM-HOCLYGCPSA-N 0 0 327.403 3.886 50 30 EHEARN CC(C)Cc1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)no1 ZINC000097632013 219042802 /nfs/dbraw/zinc/04/28/02/219042802.db2.gz JXCJFZASKQMBCO-UHFFFAOYSA-N 0 0 337.423 3.571 50 30 EHEARN Cn1cnc([N+](=O)[O-])c1Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000054981487 214262397 /nfs/dbraw/zinc/26/23/97/214262397.db2.gz IBYFYNDMIGQJPV-UHFFFAOYSA-N 0 0 335.323 3.736 50 30 EHEARN CC(C)N(Cc1ccccn1)C(=O)CSCc1ccc(C#N)cc1 ZINC000055739429 214340281 /nfs/dbraw/zinc/34/02/81/214340281.db2.gz MMLBVAVKCAOQRV-UHFFFAOYSA-N 0 0 339.464 3.624 50 30 EHEARN O=C1C[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004520713 210213860 /nfs/dbraw/zinc/21/38/60/210213860.db2.gz AYGIHHJXYKHFDQ-JSGCOSHPSA-N 0 0 341.407 3.892 50 30 EHEARN COc1ccc2c(c1)OC1=C(C(=O)CCC1)[C@@H]2C1C(=O)CCCC1=O ZINC000100106935 219091825 /nfs/dbraw/zinc/09/18/25/219091825.db2.gz JMMFWLZZEBGXTR-SFHVURJKSA-N 0 0 340.375 3.743 50 30 EHEARN CCN(CC)c1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100210571 219094101 /nfs/dbraw/zinc/09/41/01/219094101.db2.gz SGSAJZRDVMPXJX-QOCHGBHMSA-N 0 0 349.438 3.723 50 30 EHEARN C/N=C1/S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1C ZINC000100200618 219094279 /nfs/dbraw/zinc/09/42/79/219094279.db2.gz UMWYQCZJLRYHBN-AUCNZSTQSA-N 0 0 330.434 3.963 50 30 EHEARN COc1ccc(C/N=C2\SCC(=O)N2c2ccccc2)cc1Cl ZINC000100293267 219095860 /nfs/dbraw/zinc/09/58/60/219095860.db2.gz PYHFZTXTELDRMC-ZPHPHTNESA-N 0 0 346.839 3.985 50 30 EHEARN N#Cc1c2nc3ccccc3n2c(NC[C@H]2CCCO2)c2c1CCCC2 ZINC000004383833 210183362 /nfs/dbraw/zinc/18/33/62/210183362.db2.gz PQAOGYOHTUDXQB-CQSZACIVSA-N 0 0 346.434 3.829 50 30 EHEARN COCCCN=C(Nc1ccc(Br)cc1C)SC ZINC000004347922 210177967 /nfs/dbraw/zinc/17/79/67/210177967.db2.gz YBXMFFHGAGAHOP-UHFFFAOYSA-N 0 0 331.279 3.734 50 30 EHEARN COC(=O)c1scc(C)c1NN=C1CCOc2ccc(F)cc21 ZINC000003909123 210091233 /nfs/dbraw/zinc/09/12/33/210091233.db2.gz PGMSGYPRKFGZBA-LDADJPATSA-N 0 0 334.372 3.581 50 30 EHEARN CC(C(=O)Nc1cc([N+](=O)[O-])ccc1F)(C(F)(F)F)C(F)(F)F ZINC000003668034 210072590 /nfs/dbraw/zinc/07/25/90/210072590.db2.gz LIBBZWPHSAGAPR-UHFFFAOYSA-N 0 0 348.174 3.803 50 30 EHEARN Cc1cccc2c(C)cc(SCC(=O)N[C@](C)(C#N)C(C)C)nc12 ZINC000003381829 210022374 /nfs/dbraw/zinc/02/23/74/210022374.db2.gz HMPWJMLIGHOUQJ-LJQANCHMSA-N 0 0 341.480 3.998 50 30 EHEARN N#Cc1ccccc1OCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000003359575 210017667 /nfs/dbraw/zinc/01/76/67/210017667.db2.gz IYBBQRGKIQXJEG-UHFFFAOYSA-N 0 0 349.217 3.603 50 30 EHEARN COCCOc1ccc(C(=O)/C=C/c2cc(OC)cc(OC)c2)cc1 ZINC000044027701 213606694 /nfs/dbraw/zinc/60/66/94/213606694.db2.gz WGKOJABTOOFACP-RUDMXATFSA-N 0 0 342.391 3.625 50 30 EHEARN N#Cc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1 ZINC000003328107 210008218 /nfs/dbraw/zinc/00/82/18/210008218.db2.gz RBAWKLLMSOYBNV-UHFFFAOYSA-N 0 0 325.418 3.924 50 30 EHEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1nnc2ccccc21 ZINC000002831417 209924737 /nfs/dbraw/zinc/92/47/37/209924737.db2.gz OBQGRCUJQGIUII-UHFFFAOYSA-N 0 0 335.182 3.996 50 30 EHEARN CCc1ccsc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)cc1F ZINC000103633263 219318874 /nfs/dbraw/zinc/31/88/74/219318874.db2.gz NWLWPMKBUBGHKG-NSHDSACASA-N 0 0 334.347 3.550 50 30 EHEARN N#Cc1cccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)c1 ZINC000068645758 215324686 /nfs/dbraw/zinc/32/46/86/215324686.db2.gz APJNJALJERRFTJ-UHFFFAOYSA-N 0 0 347.418 3.617 50 30 EHEARN CCc1c(C)sc(NC(=O)c2cc(NC(C)=O)ccc2F)c1C#N ZINC000068677135 215327017 /nfs/dbraw/zinc/32/70/17/215327017.db2.gz PYSYMGVOEDKZLY-UHFFFAOYSA-N 0 0 345.399 3.840 50 30 EHEARN Cc1ccccc1-n1cnnc1SCc1cn2ccccc2c1C#N ZINC000069367589 215389004 /nfs/dbraw/zinc/38/90/04/215389004.db2.gz NTPMVAQJVCIGLK-UHFFFAOYSA-N 0 0 345.431 3.992 50 30 EHEARN C=C(C)Cn1c(C(=O)NC2CC2)cc2scc(Br)c21 ZINC000037542337 213155116 /nfs/dbraw/zinc/15/51/16/213155116.db2.gz QEKBUUOWPPFNJO-UHFFFAOYSA-N 0 0 339.258 3.934 50 30 EHEARN C=CCN(Cc1cccn1Cc1ccc(F)cc1)[C@@H](C)C(=O)OCC ZINC000035843748 213050435 /nfs/dbraw/zinc/05/04/35/213050435.db2.gz DXZRHANNGXSRJP-INIZCTEOSA-N 0 0 344.430 3.615 50 30 EHEARN CN(Cc1ccccc1)c1oc(-c2ccccc2[N+](=O)[O-])nc1C#N ZINC000035672234 213045465 /nfs/dbraw/zinc/04/54/65/213045465.db2.gz FIEXBRZEPRXAHZ-UHFFFAOYSA-N 0 0 334.335 3.758 50 30 EHEARN Cc1c(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)c2ccccc2n1C ZINC000071756946 215812677 /nfs/dbraw/zinc/81/26/77/215812677.db2.gz IVHMTJLZYMPNKE-ZDUSSCGKSA-N 0 0 332.407 3.507 50 30 EHEARN Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)c(Cl)c3)CC2)o1 ZINC000071857350 215887769 /nfs/dbraw/zinc/88/77/69/215887769.db2.gz AESHYOGTCRRUQD-UHFFFAOYSA-N 0 0 343.814 3.512 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072164826 216054009 /nfs/dbraw/zinc/05/40/09/216054009.db2.gz ZUILVFFWSBJKCS-SFHVURJKSA-N 0 0 347.418 3.614 50 30 EHEARN CCc1ccccc1CN1CCc2nc[nH]c2[C@@H]1c1cccc(C#N)c1 ZINC000072407697 216198227 /nfs/dbraw/zinc/19/82/27/216198227.db2.gz KYKTVUANCRYYIA-QFIPXVFZSA-N 0 0 342.446 3.991 50 30 EHEARN Cc1nn2c(nc(-c3ccccc3)cc2N2CCC[C@@H](C#N)C2)c1C ZINC000072478918 216259181 /nfs/dbraw/zinc/25/91/81/216259181.db2.gz IRKZYMVSPQWVAJ-INIZCTEOSA-N 0 0 331.423 3.753 50 30 EHEARN C=C(C)c1nc(C#N)c(N=NCc2ccc(OCC)c(OCC)c2)o1 ZINC000027562366 212565360 /nfs/dbraw/zinc/56/53/60/212565360.db2.gz YNPBCWHTPGCQHW-RGVLZGJSSA-N 0 0 340.383 3.823 50 30 EHEARN C=CCCC(=O)N1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC000230126167 242236146 /nfs/dbraw/zinc/23/61/46/242236146.db2.gz IGRYUUATXRLVBY-DFBDCSAJSA-N 0 0 334.504 3.663 50 30 EHEARN Cc1ccc(C/N=C2\C(c3cccc(Cl)c3)=Nc3ncnn32)cc1 ZINC000021102557 212207099 /nfs/dbraw/zinc/20/70/99/212207099.db2.gz PYVGDPZXRDMVRJ-LVZFUZTISA-N 0 0 335.798 3.821 50 30 EHEARN C=CCn1c2nc(C3CC3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604935 212152938 /nfs/dbraw/zinc/15/29/38/212152938.db2.gz ZHDZEHYIHLQVQK-UHFFFAOYSA-N 0 0 327.331 3.536 50 30 EHEARN Cc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000019835476 212073738 /nfs/dbraw/zinc/07/37/38/212073738.db2.gz IMIGDSCNHUFAJZ-XDHOZWIPSA-N 0 0 333.888 3.862 50 30 EHEARN O=C(Nc1nc2ccc(F)cc2s1)c1cc(=O)[nH]c2ccccc21 ZINC000016051139 211880111 /nfs/dbraw/zinc/88/01/11/211880111.db2.gz QEBYGIVWOUTWRR-UHFFFAOYSA-N 0 0 339.351 3.913 50 30 EHEARN C=CCN(CC=C)C(=O)c1cc(COc2ccccc2SC)on1 ZINC000012704173 211435149 /nfs/dbraw/zinc/43/51/49/211435149.db2.gz SZOBUFWENSVPEA-UHFFFAOYSA-N 0 0 344.436 3.790 50 30 EHEARN CC(=NS(=O)(=O)c1ccc(C)cc1)Nc1ccc(O)c(C)c1C ZINC000012461771 211389047 /nfs/dbraw/zinc/38/90/47/211389047.db2.gz IQPWNKNOSUBYAQ-UHFFFAOYSA-N 0 0 332.425 3.537 50 30 EHEARN N#Cc1ccccc1OCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000012265859 211331302 /nfs/dbraw/zinc/33/13/02/211331302.db2.gz INRAZQDDTXQROA-HXUWFJFHSA-N 0 0 348.427 3.904 50 30 EHEARN C=CCn1c2ccccc2nc1SCC(=O)c1ccc(O)cc1O ZINC000011650771 211229945 /nfs/dbraw/zinc/22/99/45/211229945.db2.gz FWTRWRNJDMGWQN-UHFFFAOYSA-N 0 0 340.404 3.609 50 30 EHEARN Cc1cc(C)n(-c2ccc(SCc3ccc(C#N)cc3F)nn2)n1 ZINC000011142666 211204787 /nfs/dbraw/zinc/20/47/87/211204787.db2.gz ZOVWDASDNKWNHK-UHFFFAOYSA-N 0 0 339.399 3.582 50 30 EHEARN C=C(C)COc1cccc(C(=O)Nc2ccc(OCCOC)cc2)c1 ZINC000010372944 211168887 /nfs/dbraw/zinc/16/88/87/211168887.db2.gz QNTYBRKVQKPPMZ-UHFFFAOYSA-N 0 0 341.407 3.919 50 30 EHEARN NC(=O)[C@]1(c2nc(-c3ccc(Cl)cc3)cs2)OC12CCCCC2 ZINC000009420021 211080693 /nfs/dbraw/zinc/08/06/93/211080693.db2.gz OQBKSEJKWWXXLD-QGZVFWFLSA-N 0 0 348.855 3.877 50 30 EHEARN CCCCc1[nH]c(SCC(=O)Nc2ccccc2C#N)nc1C ZINC000009191461 211050069 /nfs/dbraw/zinc/05/00/69/211050069.db2.gz HQOHEFLYFPIKGY-UHFFFAOYSA-N 0 0 328.441 3.663 50 30 EHEARN C=C(C)Cn1cnc2c(sc3nc(-c4ccccc4)nc(C)c32)c1=O ZINC000008991819 211027903 /nfs/dbraw/zinc/02/79/03/211027903.db2.gz MVXWLYMRVIXSIJ-UHFFFAOYSA-N 0 0 348.431 3.953 50 30 EHEARN COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O ZINC000008765210 211002349 /nfs/dbraw/zinc/00/23/49/211002349.db2.gz CWBWJDPPQSTZIT-UFWORHAWSA-N 0 0 335.359 3.812 50 30 biogenic EHEARN N#Cc1c[nH]c(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccncc2)c1 ZINC000095407092 218343038 /nfs/dbraw/zinc/34/30/38/218343038.db2.gz BXHILIIZROJKCO-LJQANCHMSA-N 0 0 342.358 3.547 50 30 EHEARN CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)[C@@H](c2ccccc2)O1 ZINC000005996282 210573422 /nfs/dbraw/zinc/57/34/22/210573422.db2.gz NYRMIJKDBAQCHC-MRXNPFEDSA-N 0 0 333.309 3.934 50 30 EHEARN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cc2ccccc2oc1=O ZINC000096891451 218896462 /nfs/dbraw/zinc/89/64/62/218896462.db2.gz KFYJQTSDPPVUTJ-KHPPLWFESA-N 0 0 342.354 3.875 50 30 EHEARN Cc1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)c(C#N)c(C)c1C ZINC000005089216 210386676 /nfs/dbraw/zinc/38/66/76/210386676.db2.gz JBOLRKNKMHZAEJ-MEDUHNTESA-N 0 0 331.485 3.666 50 30 EHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 ZINC000005010610 210361326 /nfs/dbraw/zinc/36/13/26/210361326.db2.gz PFKZPGNWQWJMTF-UHFFFAOYSA-N 0 0 341.480 3.921 50 30 EHEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl ZINC000004947393 210336566 /nfs/dbraw/zinc/33/65/66/210336566.db2.gz QHTORVCAWHERLR-SXGWCWSVSA-N 0 0 334.719 3.993 50 30 EHEARN CC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000004898147 210315495 /nfs/dbraw/zinc/31/54/95/210315495.db2.gz FQRPOUBLXAAISR-WPFCCQJKSA-N 0 0 327.409 3.524 50 30 EHEARN C/C(=N\OC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000004776515 210275042 /nfs/dbraw/zinc/27/50/42/210275042.db2.gz YDBNPMRZCUTYNL-QPSGOUHRSA-N 0 0 329.224 3.963 50 30 EHEARN CC(C)c1nc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)n(C)n1 ZINC000079049619 257835226 /nfs/dbraw/zinc/83/52/26/257835226.db2.gz HHDWSUAFALHTFI-VIFPVBQESA-N 0 0 340.786 3.787 50 30 EHEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccncc1F ZINC000078084434 257972700 /nfs/dbraw/zinc/97/27/00/257972700.db2.gz MGZSLRYJIRKESU-UHFFFAOYSA-N 0 0 348.337 3.840 50 30 EHEARN N#CC(=NNc1ccc(OC(F)(F)F)cc1)C(=O)c1cccs1 ZINC000000125673 258047527 /nfs/dbraw/zinc/04/75/27/258047527.db2.gz KPYAXEFTZICYLR-RGVLZGJSSA-N 0 0 339.298 3.821 50 30 EHEARN C=CCNc1ccccc1C(=O)N(CCCCO)Cc1ccccc1 ZINC000055060689 258014883 /nfs/dbraw/zinc/01/48/83/258014883.db2.gz NQNYHEDCABWZOX-UHFFFAOYSA-N 0 0 338.451 3.699 50 30 EHEARN C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000071897770 258015358 /nfs/dbraw/zinc/01/53/58/258015358.db2.gz LKCNYIMIDBBGNS-ZDUSSCGKSA-N 0 0 331.441 3.577 50 30 EHEARN C#CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1 ZINC000002382730 258016712 /nfs/dbraw/zinc/01/67/12/258016712.db2.gz JBDHZKLJNAIJNC-LLVKDONJSA-N 0 0 349.745 3.610 50 30 in-vitro EHEARN C=CCn1c(SCC(=O)c2ccc[nH]2)nnc1C1CCCCC1 ZINC000008428659 258018295 /nfs/dbraw/zinc/01/82/95/258018295.db2.gz OAOKPGITQYCZJE-UHFFFAOYSA-N 0 0 330.457 3.815 50 30 EHEARN CCOCC1(CNC(=O)c2cccc(-c3cccnc3C#N)c2)CCC1 ZINC000299787556 258094470 /nfs/dbraw/zinc/09/44/70/258094470.db2.gz NGGMJGLWQOWFHW-UHFFFAOYSA-N 0 0 349.434 3.557 50 30 EHEARN N#CCOC(=O)c1c2cc(Br)ccc2nc2c1CCCC2 ZINC000007786352 258053395 /nfs/dbraw/zinc/05/33/95/258053395.db2.gz WFTZHBHEJLPBSD-UHFFFAOYSA-N 0 0 345.196 3.556 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1 ZINC000069657078 258063775 /nfs/dbraw/zinc/06/37/75/258063775.db2.gz DISYDIPESQDUAN-CQSZACIVSA-N 0 0 325.437 3.989 50 30 EHEARN Cc1nc(CN2CCC(CNc3ccc(C#N)cc3F)CC2)oc1C ZINC000071894590 258064092 /nfs/dbraw/zinc/06/40/92/258064092.db2.gz GHKYIUUKBCOYET-UHFFFAOYSA-N 0 0 342.418 3.626 50 30 EHEARN C#CCOc1cccc(C=NNc2ccc(C(=O)OC(C)C)cc2)c1 ZINC000005846474 518330395 /nfs/dbraw/zinc/33/03/95/518330395.db2.gz BJQSYMPEUXROFU-KGENOOAVSA-N 0 0 336.391 3.710 50 30 EHEARN C#CCn1c2ccccc2nc1SCCOc1ccccc1OC ZINC000011667109 518344865 /nfs/dbraw/zinc/34/48/65/518344865.db2.gz JWPQZQSHZXNRSY-UHFFFAOYSA-N 0 0 338.432 3.849 50 30 EHEARN C=CCN(Cc1cccc(OCC)c1)C(=O)CCc1scnc1C ZINC000055253969 518783561 /nfs/dbraw/zinc/78/35/61/518783561.db2.gz GBYYOALBBAXPPR-UHFFFAOYSA-N 0 0 344.480 3.998 50 30 EHEARN CC(C)(C)SCC(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328587979 518902930 /nfs/dbraw/zinc/90/29/30/518902930.db2.gz KXOQVJVDIXQNRS-SNVBAGLBSA-N 0 0 349.422 3.953 50 30 EHEARN CCOCCOC(=NC(=O)c1cccs1)N[C@H](C)c1ccccc1 ZINC000004734169 519971179 /nfs/dbraw/zinc/97/11/79/519971179.db2.gz IIUVUHTXNDYZCA-CQSZACIVSA-N 0 0 346.452 3.648 50 30 EHEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000001953503 520021459 /nfs/dbraw/zinc/02/14/59/520021459.db2.gz GLQILNQUYXQDIG-UHFFFAOYSA-N 0 0 331.412 3.868 50 30 biogenic EHEARN CCCCCCCCNC(=O)CCn1c2ccccc2sc1=O ZINC000100701731 520032810 /nfs/dbraw/zinc/03/28/10/520032810.db2.gz VXPYXGSREYJUSQ-UHFFFAOYSA-N 0 0 334.485 3.930 50 30 EHEARN CCOc1ccc(C(C)=O)cc1CON=C(N)c1ccc(Cl)cc1 ZINC000029465314 520926679 /nfs/dbraw/zinc/92/66/79/520926679.db2.gz WLMRPOHBEHWTSH-UHFFFAOYSA-N 0 0 346.814 3.778 50 30 EHEARN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000096004344 521106560 /nfs/dbraw/zinc/10/65/60/521106560.db2.gz GTUHVUYOQNOMQJ-RHSMWYFYSA-N 0 0 338.423 3.680 50 30 EHEARN COc1ccc(-c2cnnc(N=NC=CCc3ccccc3)n2)cc1 ZINC000004351317 523157704 /nfs/dbraw/zinc/15/77/04/523157704.db2.gz RMNPZSQBIBDGOX-IYYWNBDZSA-N 0 0 331.379 3.658 50 30 EHEARN Cc1cc(=NN=Cc2cccc(F)c2)nc(NCc2ccccc2)[nH]1 ZINC000004837567 525044836 /nfs/dbraw/zinc/04/48/36/525044836.db2.gz XHMJOWSQIAUPAK-LPYMAVHISA-N 0 0 335.386 3.982 50 30 EHEARN Cc1cc(NC(=O)C2CC2)sc1C(=O)N(CCC#N)CC1CCC1 ZINC000095401666 525117294 /nfs/dbraw/zinc/11/72/94/525117294.db2.gz JQYCDJREJZJIKO-UHFFFAOYSA-N 0 0 345.468 3.561 50 30 EHEARN C[C@@H](NC(=O)CSC(=NC#N)Nc1ccccc1)c1ccccc1 ZINC000005612156 525122578 /nfs/dbraw/zinc/12/25/78/525122578.db2.gz NULNPXATQUBQTK-CQSZACIVSA-N 0 0 338.436 3.546 50 30 EHEARN Cc1cc(C(=O)/C=C\c2ccc(COc3ccc(F)cc3)o2)n(C)n1 ZINC000006527846 526196847 /nfs/dbraw/zinc/19/68/47/526196847.db2.gz MJOSNGIQTCSOSH-KTKRTIGZSA-N 0 0 340.354 3.936 50 30 EHEARN N#CCCn1cc(C(=O)OCc2ccccc2)c(-c2cccs2)n1 ZINC000003372181 526467928 /nfs/dbraw/zinc/46/79/28/526467928.db2.gz FVAQPUHVMVRNNI-UHFFFAOYSA-N 0 0 337.404 3.882 50 30 EHEARN C=CCc1cc(CNc2cc(F)c(OC)cc2OC)cc(OC)c1O ZINC000151897610 527244029 /nfs/dbraw/zinc/24/40/29/527244029.db2.gz MBLICDYAEKAOSI-UHFFFAOYSA-N 0 0 347.386 3.898 50 30 EHEARN Cn1nccc1C(=O)/C=C\c1ccc(COc2ccc(F)cc2)o1 ZINC000006827525 527592852 /nfs/dbraw/zinc/59/28/52/527592852.db2.gz UZJLOSXONQPBBJ-HJWRWDBZSA-N 0 0 326.327 3.627 50 30 EHEARN COc1ccc(OCC#CCOc2ccccc2Br)cc1 ZINC000002839808 563454627 /nfs/dbraw/zinc/45/46/27/563454627.db2.gz PFAMBUGMQAHRLZ-UHFFFAOYSA-N 0 0 347.208 3.919 50 30 EHEARN COc1ccccc1N1CCN(/N=C\c2c(F)cccc2Cl)CC1 ZINC000005052908 563520101 /nfs/dbraw/zinc/52/01/01/563520101.db2.gz HSMYVUJRJTUGJH-BKUYFWCQSA-N 0 0 347.821 3.644 50 30 EHEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccccc1 ZINC000005895891 563553265 /nfs/dbraw/zinc/55/32/65/563553265.db2.gz FLKMCUZITYTFMU-MMWWNLEXSA-N 0 0 336.420 3.790 50 30 EHEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000013124487 563689120 /nfs/dbraw/zinc/68/91/20/563689120.db2.gz CWUNNMNOQCOWFB-SCLBCKFNSA-N 0 0 348.431 3.755 50 30 EHEARN O=C(/N=C1\SCC(=O)N1c1ccc(Cl)cc1)c1ccccc1 ZINC000013590595 563702871 /nfs/dbraw/zinc/70/28/71/563702871.db2.gz VSKOHMDGOJTWPI-VLGSPTGOSA-N 0 0 330.796 3.616 50 30 EHEARN CCN(Cc1cn2ccccc2c1C#N)Cc1ccc(OC)c(OC)c1 ZINC000032825250 563756443 /nfs/dbraw/zinc/75/64/43/563756443.db2.gz IJDOEKTWKZHVMU-UHFFFAOYSA-N 0 0 349.434 3.850 50 30 EHEARN O=[N+]([O-])c1cccc(C=NNC(=Nc2ccccc2)c2ccccn2)c1 ZINC000018188423 563850666 /nfs/dbraw/zinc/85/06/66/563850666.db2.gz CGXUCRJGXVPDKN-KGENOOAVSA-N 0 0 345.362 3.883 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cnc(-c3ccc(Cl)cc3)nc2)cc1 ZINC000097938558 563923035 /nfs/dbraw/zinc/92/30/35/563923035.db2.gz WCPIVUSGUHWQCF-UHFFFAOYSA-N 0 0 334.766 3.921 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000013551627 563930182 /nfs/dbraw/zinc/93/01/82/563930182.db2.gz DMCVWHOYYSZJET-YRNVUSSQSA-N 0 0 340.813 3.635 50 30 EHEARN C[C@@H]1CN(c2oc(-c3cccc4ccccc43)nc2C#N)C[C@H](C)O1 ZINC000013769718 563932860 /nfs/dbraw/zinc/93/28/60/563932860.db2.gz OEVKTJCATGAADL-OKILXGFUSA-N 0 0 333.391 3.980 50 30 EHEARN O=C(/C=C/c1c(F)cccc1F)c1cccc(N2CCOC2=O)c1 ZINC000058230354 563940481 /nfs/dbraw/zinc/94/04/81/563940481.db2.gz QYJVNWOIDAGTER-BQYQJAHWSA-N 0 0 329.302 3.818 50 30 EHEARN COc1cc(C(=O)/C=C/c2csnn2)ccc1SC(F)F ZINC000058308687 563942204 /nfs/dbraw/zinc/94/22/04/563942204.db2.gz DNOWAROCTDHIGG-ONEGZZNKSA-N 0 0 328.365 3.758 50 30 EHEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(Oc2cnccn2)cc1 ZINC000096433616 563952843 /nfs/dbraw/zinc/95/28/43/563952843.db2.gz HHPUXWUGJHQNBI-UHFFFAOYSA-N 0 0 328.327 3.732 50 30 EHEARN CC(C)S(=O)(=O)Cc1cccc(NCc2cc(C#N)ccc2F)c1 ZINC000096453604 563953772 /nfs/dbraw/zinc/95/37/72/563953772.db2.gz HRLZBXRANBENMW-UHFFFAOYSA-N 0 0 346.427 3.633 50 30 EHEARN C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1cnn(C)c1 ZINC000096496098 563955742 /nfs/dbraw/zinc/95/57/42/563955742.db2.gz GSRFBAHDJUNHRD-AWEZNQCLSA-N 0 0 346.390 3.575 50 30 EHEARN CN(C)/C=C\C(=O)c1cc(Br)c(Br)s1 ZINC000096803795 563966514 /nfs/dbraw/zinc/96/65/14/563966514.db2.gz FHZTWJXOSTYEQN-ARJAWSKDSA-N 0 0 339.052 3.531 50 30 EHEARN COCCOc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098008736 563971060 /nfs/dbraw/zinc/97/10/60/563971060.db2.gz XOJVXDFKAFNCHN-WCIBSUBMSA-N 0 0 327.336 3.516 50 30 EHEARN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2scnc2C2CC2)cc1 ZINC000127848911 563973701 /nfs/dbraw/zinc/97/37/01/563973701.db2.gz AXQWCIJRQLCERI-AWEZNQCLSA-N 0 0 339.420 3.544 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CCC[C@H]2c1ccccc1 ZINC000071749656 563982972 /nfs/dbraw/zinc/98/29/72/563982972.db2.gz IMGDZIQSFKPADO-HNNXBMFYSA-N 0 0 345.402 3.756 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000014242651 563983678 /nfs/dbraw/zinc/98/36/78/563983678.db2.gz NLIGANASPZVTPM-SFHVURJKSA-N 0 0 348.402 3.697 50 30 EHEARN Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000328588858 563984115 /nfs/dbraw/zinc/98/41/15/563984115.db2.gz XTESVTDGIJRUJP-CXAGYDPISA-N 0 0 338.473 3.580 50 30 EHEARN N#C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(Br)o1 ZINC000000286006 563990268 /nfs/dbraw/zinc/99/02/68/563990268.db2.gz KVGVFRSNTWZISP-MRXNPFEDSA-N 0 0 345.196 3.697 50 30 EHEARN N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000252586415 563997933 /nfs/dbraw/zinc/99/79/33/563997933.db2.gz PXMPVFVVLAWEPF-IKGGRYGDSA-N 0 0 344.370 3.884 50 30 EHEARN N#Cc1ccccc1COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000005225005 564001284 /nfs/dbraw/zinc/00/12/84/564001284.db2.gz WZZVMRYQPHVFOF-UHFFFAOYSA-N 0 0 343.382 3.538 50 30 EHEARN N#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1cccs1 ZINC000017440242 564011902 /nfs/dbraw/zinc/01/19/02/564011902.db2.gz HLHWHASXYPVRIC-UHFFFAOYSA-N 0 0 349.444 3.823 50 30 EHEARN CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000181013537 564013753 /nfs/dbraw/zinc/01/37/53/564013753.db2.gz LEBKDCFPRVSOJC-AWEZNQCLSA-N 0 0 335.411 3.919 50 30 EHEARN CC[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000102026852 564019852 /nfs/dbraw/zinc/01/98/52/564019852.db2.gz JUPRPCIZFPLYQG-BXKDBHETSA-N 0 0 326.368 3.695 50 30 EHEARN C/N=C1\S/C(=C\c2ccc(N3Cc4ccccc4C3)cc2)C(=O)N1C ZINC000103543040 564022727 /nfs/dbraw/zinc/02/27/27/564022727.db2.gz UFAXASRHTSGESE-GTQPVGENSA-N 0 0 349.459 3.739 50 30 EHEARN C/N=C1/S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1C1CCCCC1 ZINC000103886042 564023320 /nfs/dbraw/zinc/02/33/20/564023320.db2.gz SLJOLCMVKXJWGQ-QOOZPXINSA-N 0 0 346.452 3.636 50 30 EHEARN CCN(C(=O)Cc1noc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000045500224 564028469 /nfs/dbraw/zinc/02/84/69/564028469.db2.gz OQGPATKJHHOMIM-CQSZACIVSA-N 0 0 333.391 3.852 50 30 EHEARN Cn1cccc1CN(Cc1cccs1)C(=O)c1cccc(C#N)c1 ZINC000049026652 564032396 /nfs/dbraw/zinc/03/23/96/564032396.db2.gz UFBVGWJETJFNTA-UHFFFAOYSA-N 0 0 335.432 3.801 50 30 EHEARN C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005315937 564039161 /nfs/dbraw/zinc/03/91/61/564039161.db2.gz PTFJIKYUEPWBMS-UHFFFAOYSA-N 0 0 333.266 3.924 50 30 in-vitro EHEARN COC(=O)c1sc2nc(C)nc(Oc3ccc(C#N)cc3)c2c1C ZINC000015175258 564056026 /nfs/dbraw/zinc/05/60/26/564056026.db2.gz MEAQKQXPRAAQDN-UHFFFAOYSA-N 0 0 339.376 3.759 50 30 EHEARN C/N=C1/S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1C ZINC000002154967 564058422 /nfs/dbraw/zinc/05/84/22/564058422.db2.gz VQRHQACSFSCVHK-UOWSXMIYSA-N 0 0 334.347 3.757 50 30 EHEARN C#CCCNC(=O)N[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000072282445 564063803 /nfs/dbraw/zinc/06/38/03/564063803.db2.gz QSFBRLWHYAACGQ-GFCCVEGCSA-N 0 0 327.211 3.530 50 30 EHEARN C=CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1OC)c1ccncc1 ZINC000075612791 564064151 /nfs/dbraw/zinc/06/41/51/564064151.db2.gz LVNFRVGCYSHCDO-PDFOZTTASA-N 0 0 338.407 3.546 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC(CSCc3ccco3)CC2)c1 ZINC000085472471 564073445 /nfs/dbraw/zinc/07/34/45/564073445.db2.gz SURYUXWFSRFXQB-UHFFFAOYSA-N 0 0 340.448 3.937 50 30 EHEARN C=CCCC(=O)N1CCC(n2c(CCC)nc3cccnc32)CC1 ZINC000015003750 564074226 /nfs/dbraw/zinc/07/42/26/564074226.db2.gz FNWWBCHLBCDIHO-UHFFFAOYSA-N 0 0 326.444 3.514 50 30 EHEARN O[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000000077182 564074466 /nfs/dbraw/zinc/07/44/66/564074466.db2.gz YQNRWDFBGOHZLY-NRFANRHFSA-N 0 0 332.374 3.799 50 30 EHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000000085890 564074470 /nfs/dbraw/zinc/07/44/70/564074470.db2.gz NMBCSVATXMQGHL-JOCHJYFZSA-N 0 0 349.430 3.803 50 30 EHEARN C=CCN1C(=O)[C@@](O)(c2c[nH]c3ccccc32)c2cc(Cl)ccc21 ZINC000002214827 564074813 /nfs/dbraw/zinc/07/48/13/564074813.db2.gz SCHQQDYYKVMIET-IBGZPJMESA-N 0 0 338.794 3.590 50 30 EHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000002469487 564074843 /nfs/dbraw/zinc/07/48/43/564074843.db2.gz SGIRSEQECONELC-CYBMUJFWSA-N 0 0 327.355 3.718 50 30 EHEARN Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCC3)cc1C ZINC000015834514 564076162 /nfs/dbraw/zinc/07/61/62/564076162.db2.gz IJBDIZQFXVBARC-UHFFFAOYSA-N 0 0 337.448 3.790 50 30 EHEARN CC(C)Oc1ccc(C2=N/C(=C\c3cccc(C#N)c3)C(=O)O2)cc1 ZINC000012870615 564076367 /nfs/dbraw/zinc/07/63/67/564076367.db2.gz GKDFORWDLBUYTO-WQRHYEAKSA-N 0 0 332.359 3.690 50 30 EHEARN C=CCn1c(=O)sc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000015865087 564077181 /nfs/dbraw/zinc/07/71/81/564077181.db2.gz IZBAVGLIRJXEAI-UHFFFAOYSA-N 0 0 328.368 3.640 50 30 EHEARN C=CCc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000024467896 564078830 /nfs/dbraw/zinc/07/88/30/564078830.db2.gz WMCNXXVXLIHLEZ-AWEZNQCLSA-N 0 0 325.408 3.923 50 30 EHEARN N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2c(F)cccc2N2CCC[C@@H]21 ZINC000006315923 564084527 /nfs/dbraw/zinc/08/45/27/564084527.db2.gz HYZGUYCLLHUMPU-QUCCMNQESA-N 0 0 332.382 3.688 50 30 EHEARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(C#N)c1 ZINC000006401248 564085560 /nfs/dbraw/zinc/08/55/60/564085560.db2.gz OBJXAICWADGALR-LLVKDONJSA-N 0 0 330.771 3.626 50 30 EHEARN N#CC1(c2ccccc2)CCN(C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000426358656 564093462 /nfs/dbraw/zinc/09/34/62/564093462.db2.gz SGNQMVXJIJNPKR-FQEVSTJZSA-N 0 0 345.446 3.941 50 30 EHEARN COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)NC(=O)[C@@H]2C#N)cc1 ZINC000006732597 564096627 /nfs/dbraw/zinc/09/66/27/564096627.db2.gz HDJNAOOUCODKIU-IAGOWNOFSA-N 0 0 338.794 3.743 50 30 EHEARN Cc1cccc(-c2ncccc2CNC(=O)c2ccc(C#N)cc2)c1 ZINC000065171227 564102239 /nfs/dbraw/zinc/10/22/39/564102239.db2.gz WEYURBIKOUMSDZ-UHFFFAOYSA-N 0 0 327.387 3.859 50 30 EHEARN N#Cc1c(/N=c2\oc3ccccc3cc2C(N)=O)sc2c1CCCC2 ZINC000013137082 564103647 /nfs/dbraw/zinc/10/36/47/564103647.db2.gz ATEFTADYKXYAQB-PYCFMQQDSA-N 0 0 349.415 3.576 50 30 EHEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000007062170 564104488 /nfs/dbraw/zinc/10/44/88/564104488.db2.gz RSXPVXFVPUPKQV-UHFFFAOYSA-N 0 0 327.192 3.666 50 30 EHEARN N#C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1F ZINC000065553695 564107513 /nfs/dbraw/zinc/10/75/13/564107513.db2.gz AISOINPEGFUDTF-SFHVURJKSA-N 0 0 339.345 3.760 50 30 EHEARN N#Cc1ccccc1NC(=O)NCCc1coc(-c2ccccc2)n1 ZINC000065586111 564107814 /nfs/dbraw/zinc/10/78/14/564107814.db2.gz VQVRYBOLRGXVKW-UHFFFAOYSA-N 0 0 332.363 3.577 50 30 EHEARN Cn1c2cccc(C#N)c2nc1NCc1coc(-c2ccccc2)n1 ZINC000170616147 564110102 /nfs/dbraw/zinc/11/01/02/564110102.db2.gz LJEGSYOSMTWDJM-UHFFFAOYSA-N 0 0 329.363 3.712 50 30 EHEARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=C[C@@H]1CC=CCC1 ZINC000252475189 564118983 /nfs/dbraw/zinc/11/89/83/564118983.db2.gz VNGAWCQPKOPRPK-GFCCVEGCSA-N 0 0 349.346 3.686 50 30 EHEARN Cc1ccc(N2CCN(N=Cc3c(F)cccc3Cl)CC2)cc1 ZINC000252597243 564121117 /nfs/dbraw/zinc/12/11/17/564121117.db2.gz CQIHQNRMIQMOMT-UHFFFAOYSA-N 0 0 331.822 3.944 50 30 EHEARN CC(=O)Nc1ccc(SCCC(=O)Nc2sccc2C#N)cc1 ZINC000007651814 564121575 /nfs/dbraw/zinc/12/15/75/564121575.db2.gz IMQDEENQIZSTFY-UHFFFAOYSA-N 0 0 345.449 3.699 50 30 EHEARN Cc1ccc(C(=O)C(C#N)=NNc2ccc(Br)cc2)cc1 ZINC000252623676 564122975 /nfs/dbraw/zinc/12/29/75/564122975.db2.gz OWYLCIAVFSUZLL-UHFFFAOYSA-N 0 0 342.196 3.932 50 30 EHEARN Oc1ccc(Br)cc1C=Nc1cccc2nsnc21 ZINC000252627153 564123389 /nfs/dbraw/zinc/12/33/89/564123389.db2.gz RNSDOVHJQGUZTR-UHFFFAOYSA-N 0 0 334.198 3.910 50 30 EHEARN O=C1c2ccccc2C(=O)C1(c1ccc(-c2ccccc2)cc1)[N+](=O)[O-] ZINC000019909929 564130110 /nfs/dbraw/zinc/13/01/10/564130110.db2.gz AMLCSBURFNTRLE-UHFFFAOYSA-N 0 0 343.338 3.905 50 30 EHEARN O=C(CN1C=CC(=C2C=CC(=O)C=C2)N=C1)c1ccc2ccccc2c1 ZINC000222007066 564130154 /nfs/dbraw/zinc/13/01/54/564130154.db2.gz OUDGVDDHIGHBST-UHFFFAOYSA-N 0 0 340.382 3.829 50 30 EHEARN Cc1c(CC(=O)Nc2scc(Cl)c2C#N)cccc1[N+](=O)[O-] ZINC000253425488 564131102 /nfs/dbraw/zinc/13/11/02/564131102.db2.gz DVAQKGRDSYJXEB-UHFFFAOYSA-N 0 0 335.772 3.671 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000000311555 564133116 /nfs/dbraw/zinc/13/31/16/564133116.db2.gz QMNMYGXEDVZBMQ-JTQLQIEISA-N 0 0 341.392 3.905 50 30 EHEARN N#Cc1ccc(Oc2ncc([N+](=O)[O-])cc2Br)c(F)c1 ZINC000301707392 564134122 /nfs/dbraw/zinc/13/41/22/564134122.db2.gz SWQAYMOJEFRETE-UHFFFAOYSA-N 0 0 338.092 3.555 50 30 EHEARN N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2csc3ccccc23)cc1 ZINC000390834175 564138911 /nfs/dbraw/zinc/13/89/11/564138911.db2.gz TZGQYUMHMNMROP-INIZCTEOSA-N 0 0 345.427 3.772 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000095401661 564139499 /nfs/dbraw/zinc/13/94/99/564139499.db2.gz JOYRCNFSFQONLK-UHFFFAOYSA-N 0 0 349.768 3.769 50 30 EHEARN CC(C)[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000095465738 564140975 /nfs/dbraw/zinc/14/09/75/564140975.db2.gz UGJDFNIDPDNEFP-MRXNPFEDSA-N 0 0 347.365 3.569 50 30 EHEARN N#CCCSc1ccccc1NC(=O)COc1cccc(F)c1 ZINC000095953452 564142410 /nfs/dbraw/zinc/14/24/10/564142410.db2.gz ZHPPMHBWNLLYLG-UHFFFAOYSA-N 0 0 330.384 3.849 50 30 EHEARN N#Cc1cn(Cc2nc3ccccc3o2)c2ccc(Cl)cc2c1=O ZINC000095965166 564142898 /nfs/dbraw/zinc/14/28/98/564142898.db2.gz OUIIEKPZCCMGQM-UHFFFAOYSA-N 0 0 335.750 3.716 50 30 EHEARN CCOC(=O)Nc1ccc(NCc2nc3ccccc3n2C)cc1C#N ZINC000096499945 564148807 /nfs/dbraw/zinc/14/88/07/564148807.db2.gz APMISUXSUSRONG-UHFFFAOYSA-N 0 0 349.394 3.625 50 30 EHEARN COc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)cc1C#N ZINC000097084922 564149391 /nfs/dbraw/zinc/14/93/91/564149391.db2.gz WMXFUHHIQCQZKY-HSZRJFAPSA-N 0 0 348.855 3.711 50 30 EHEARN N#Cc1c(NC(=S)NC(=O)C2CCCC2)sc2c1CCCC2 ZINC000002868909 564152840 /nfs/dbraw/zinc/15/28/40/564152840.db2.gz ZVPFFPMOHWWRGJ-UHFFFAOYSA-N 0 0 333.482 3.502 50 30 EHEARN Cc1nccn1-c1ccccc1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000058141584 564157793 /nfs/dbraw/zinc/15/77/93/564157793.db2.gz CNNFRSIIIHWBOR-UHFFFAOYSA-N 0 0 333.351 3.573 50 30 EHEARN N#Cc1cccnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000058329738 564158628 /nfs/dbraw/zinc/15/86/28/564158628.db2.gz XQDWAVISORCEAQ-HNNXBMFYSA-N 0 0 349.369 3.526 50 30 EHEARN Cc1ccc(CC(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000133710102 564159721 /nfs/dbraw/zinc/15/97/21/564159721.db2.gz NIKORTJEBSTTSN-UHFFFAOYSA-N 0 0 337.467 3.644 50 30 EHEARN C[C@@H](C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2)c1cccnc1 ZINC000133762616 564159790 /nfs/dbraw/zinc/15/97/90/564159790.db2.gz DPZLNFWLKWEJKX-NEFAXPCMSA-N 0 0 337.467 3.896 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004082198 564160444 /nfs/dbraw/zinc/16/04/44/564160444.db2.gz JMIZEABJISSYOQ-GCNHBNHWSA-N 0 0 330.468 3.935 50 30 biogenic EHEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C)C1 ZINC000008142720 564163143 /nfs/dbraw/zinc/16/31/43/564163143.db2.gz LZTOQUVABBCKMG-KGLIPLIRSA-N 0 0 345.512 3.948 50 30 EHEARN Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)C=Cc1ccc(F)cc1 ZINC000066866345 564164505 /nfs/dbraw/zinc/16/45/05/564164505.db2.gz FHEZQIKKLKEPII-GKUQOKNUSA-N 0 0 346.365 3.511 50 30 EHEARN Cc1c(C(=O)N(CCC#N)Cc2ccco2)cnn1-c1ccccc1C ZINC000069349568 564168849 /nfs/dbraw/zinc/16/88/49/564168849.db2.gz AGNRTORTYMLTLB-UHFFFAOYSA-N 0 0 348.406 3.638 50 30 EHEARN Cc1ccc(-c2cnc(CCC(=O)N(CCC#N)C(C)C)o2)cc1 ZINC000069571345 564170614 /nfs/dbraw/zinc/17/06/14/564170614.db2.gz FTQNTTBKDVCQPO-UHFFFAOYSA-N 0 0 325.412 3.733 50 30 EHEARN COc1ccc(-c2nc(CN(CCC#N)[C@@H](C)C3CC3)co2)cc1 ZINC000069595936 564170806 /nfs/dbraw/zinc/17/08/06/564170806.db2.gz UQTVDEJXAQOBRK-AWEZNQCLSA-N 0 0 325.412 3.864 50 30 EHEARN N#Cc1ccc(NCc2ccc(-n3ccnc3)nc2)cc1C(F)(F)F ZINC000069744862 564171963 /nfs/dbraw/zinc/17/19/63/564171963.db2.gz ANVCWRODIKXMNG-UHFFFAOYSA-N 0 0 343.312 3.770 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000069814740 564172350 /nfs/dbraw/zinc/17/23/50/564172350.db2.gz NDVYQWFMMBQKAW-GUYCJALGSA-N 0 0 338.432 3.881 50 30 EHEARN COC(=O)c1ccc(C(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000069922125 564172874 /nfs/dbraw/zinc/17/28/74/564172874.db2.gz HSXAOZIIXRJDPL-UHFFFAOYSA-N 0 0 342.782 3.687 50 30 EHEARN COc1cc(/C=C2\CSc3ccccc3C2=O)cc(OC)c1O ZINC000041106820 564173283 /nfs/dbraw/zinc/17/32/83/564173283.db2.gz QWMHKDNCQVBWCE-KPKJPENVSA-N 0 0 328.389 3.781 50 30 EHEARN CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000077379766 564176675 /nfs/dbraw/zinc/17/66/75/564176675.db2.gz VJECMCUKPAICKQ-HNNXBMFYSA-N 0 0 343.814 3.710 50 30 EHEARN CCCCCCC[C@@]1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000101662121 568417283 /nfs/dbraw/zinc/41/72/83/568417283.db2.gz VLKSRFNWMJSKID-LJQANCHMSA-N 0 0 327.428 3.729 50 30 EHEARN CC1(C)Cc2cc(/C=C3/S/C(=N\C4CCCC4)NC3=O)ccc2O1 ZINC000170621316 1033329545 /nfs/dbraw/zinc/32/95/45/1033329545.db2.gz PXDUFZORTIXXPL-MHWRWJLKSA-N 0 0 342.464 3.903 50 30 EHEARN O=C1c2ccccc2OC/C1=C\c1ccc(Oc2cnccn2)cc1 ZINC000174166914 1033792557 /nfs/dbraw/zinc/79/25/57/1033792557.db2.gz ZOIQZKLLKDEEHO-RVDMUPIBSA-N 0 0 330.343 3.928 50 30 EHEARN O=C1c2cc(F)ccc2S(=O)(=O)C/C1=C/c1ccc(Cl)cc1 ZINC000013987558 1037838440 /nfs/dbraw/zinc/83/84/40/1037838440.db2.gz VJDQJJPEDONTCW-XFFZJAGNSA-N 0 0 336.771 3.533 50 30 EHEARN Cc1ccc(C(=O)N=C2N=C3C=CC=CN3Cc3ccccc32)cc1 ZINC000254398185 1039521837 /nfs/dbraw/zinc/52/18/37/1039521837.db2.gz IIHPAHXEONYXBQ-UHFFFAOYSA-N 0 0 327.387 3.880 50 30 EHEARN c1ccc2c(c1)nc(-c1cccnc1)nc2N=NCc1cccnc1 ZINC000005008574 1042751663 /nfs/dbraw/zinc/75/16/63/1042751663.db2.gz CLHRHXYEWAXUHJ-WSDLNYQXSA-N 0 0 326.363 3.533 50 30 EHEARN Cn1cc([C@@H]2C[C@@H](NC(=O)C=Cc3ccc(Cl)cc3)CCO2)cn1 ZINC000328593650 1043759852 /nfs/dbraw/zinc/75/98/52/1043759852.db2.gz SMYAZBUKKGBOOV-SFXFJHKKSA-N 0 0 345.830 3.964 50 30 EHEARN CCS(=O)(=O)c1c(Cl)cccc1/C=C\c1ccncc1C#N ZINC000581563902 1132327834 /nfs/dbraw/zinc/32/78/34/1132327834.db2.gz AXAJJQRQCMXWPG-SREVYHEPSA-N 0 0 332.812 3.571 50 30 EHEARN C#CCCC1(CCC(=O)N2CCCCc3c(OC)cccc32)N=N1 ZINC000952882148 1137483397 /nfs/dbraw/zinc/48/33/97/1137483397.db2.gz RVOOTNIJHHZOCN-UHFFFAOYSA-N 0 0 325.412 3.720 50 30 EHEARN CC(C)(O)C#Cc1cccc(C(=O)NCc2c(F)cccc2Cl)c1 ZINC000952992340 1137485051 /nfs/dbraw/zinc/48/50/51/1137485051.db2.gz ZYWRIMCBWFBWFU-UHFFFAOYSA-N 0 0 345.801 3.532 50 30 EHEARN COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)c1 ZINC000005129456 1138258646 /nfs/dbraw/zinc/25/86/46/1138258646.db2.gz WXGPPSZMLYSNME-GQCTYLIASA-N 0 0 348.782 3.968 50 30 EHEARN N#Cc1ccc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000005903713 1138709541 /nfs/dbraw/zinc/70/95/41/1138709541.db2.gz CBFDAAITSWFOPS-MDZDMXLPSA-N 0 0 333.416 3.905 50 30 EHEARN O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050665745 214064483 /nfs/dbraw/zinc/06/44/83/214064483.db2.gz JMUUOYNXWCKZEA-VURMDHGXSA-N 0 0 332.281 3.771 50 30 EHEARN O=c1sc(C=NNc2ccccc2)c(Cl)n1-c1ccccc1 ZINC000004738511 210264402 /nfs/dbraw/zinc/26/44/02/210264402.db2.gz NGNHURGAPSKEOM-WOJGMQOQSA-N 0 0 329.812 3.998 50 30 EHEARN CC(C)N(C)C(=O)c1ccc(CNc2snc(Cl)c2C#N)cc1 ZINC000051905446 214108295 /nfs/dbraw/zinc/10/82/95/214108295.db2.gz DAZZETWZCFPJCC-UHFFFAOYSA-N 0 0 348.859 3.761 50 30 EHEARN COc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000004725182 210261213 /nfs/dbraw/zinc/26/12/13/210261213.db2.gz MQEHSCIECKRQOX-BQYQJAHWSA-N 0 0 343.335 3.517 50 30 EHEARN N#Cc1ccsc1NC(=O)CN(Cc1ccco1)C1CCCC1 ZINC000053140070 214166798 /nfs/dbraw/zinc/16/67/98/214166798.db2.gz NCATYPNTGQWDFH-UHFFFAOYSA-N 0 0 329.425 3.596 50 30 EHEARN N#Cc1c(Cl)nc(N=NCc2ccncc2)c(Cl)c1Cl ZINC000004719137 210257411 /nfs/dbraw/zinc/25/74/11/210257411.db2.gz ASQZRBQOYAOLGT-NGYBGAFCSA-N 0 0 326.574 3.754 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F ZINC000054680831 214251794 /nfs/dbraw/zinc/25/17/94/214251794.db2.gz DPNACTKZDUSYSH-INIZCTEOSA-N 0 0 345.305 3.626 50 30 EHEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)ccc1O ZINC000004680392 210246204 /nfs/dbraw/zinc/24/62/04/210246204.db2.gz GDDCOERKOZCBEU-FLXQFUDPSA-N 0 0 340.404 3.635 50 30 EHEARN Cc1nn(C)c(C)c1/C=C1\CCC/C(=C\c2c(C)nn(C)c2C)C1=O ZINC000004501427 210204777 /nfs/dbraw/zinc/20/47/77/210204777.db2.gz YXGRBFUIUGRTAP-OTYYAQKOSA-N 0 0 338.455 3.607 50 30 EHEARN O=[N+]([O-])c1ccccc1CN=Nc1nc(-c2cccc(O)c2)cs1 ZINC000004475487 210196549 /nfs/dbraw/zinc/19/65/49/210196549.db2.gz NHOGEOCYDCUVLD-RQZCQDPDSA-N 0 0 340.364 3.870 50 30 EHEARN N/C(=N\O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000004394444 210187128 /nfs/dbraw/zinc/18/71/28/210187128.db2.gz UBNMLABOZRYPAI-UHFFFAOYSA-N 0 0 342.138 3.788 50 30 EHEARN Cc1cc(OCCn2cc(/C(N)=N/O)c3ccccc32)ccc1Cl ZINC000004140764 210130758 /nfs/dbraw/zinc/13/07/58/210130758.db2.gz DFNMSYYWWNJRJE-UHFFFAOYSA-N 0 0 343.814 3.777 50 30 aggregator EHEARN CCOC(=O)CCSc1nc2c(c(C(F)(F)F)c1C#N)CCC2 ZINC000004058282 210108674 /nfs/dbraw/zinc/10/86/74/210108674.db2.gz ACJJLTJHFPFIQK-UHFFFAOYSA-N 0 0 344.358 3.506 50 30 EHEARN COc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000003625151 210069186 /nfs/dbraw/zinc/06/91/86/210069186.db2.gz PTTDHDLCXAVXPT-UHFFFAOYSA-N 0 0 341.436 3.618 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@@H]2c2cccc(O)c2)C1 ZINC000102453384 219203522 /nfs/dbraw/zinc/20/35/22/219203522.db2.gz VPUZRIRTVLUHEA-QGZVFWFLSA-N 0 0 334.379 3.768 50 30 EHEARN CC(=O)Nc1ccc(NC=C2C(=O)CC3(CCCCC3)CC2=O)cc1 ZINC000103840610 219326607 /nfs/dbraw/zinc/32/66/07/219326607.db2.gz BFAVNLFQHKJYDF-UHFFFAOYSA-N 0 0 340.423 3.823 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Br)cc1 ZINC000040498632 213323282 /nfs/dbraw/zinc/32/32/82/213323282.db2.gz ORNUJYAOCNMLQO-UHFFFAOYSA-N 0 0 343.224 3.522 50 30 EHEARN C=CCn1c(C)cs/c1=N/N=C/c1cccc(Br)c1 ZINC000001806661 209795380 /nfs/dbraw/zinc/79/53/80/209795380.db2.gz JIHBVISWPLIAFR-LLYMPXGKSA-N 0 0 336.258 3.741 50 30 EHEARN COC(=O)C1CCN(c2[nH]c(-c3sccc3Cl)cc2C#N)CC1 ZINC000001382363 209732557 /nfs/dbraw/zinc/73/25/57/209732557.db2.gz WRJZOUILZDPXMH-UHFFFAOYSA-N 0 0 349.843 3.658 50 30 EHEARN CCN(C[C@@H](C)C#N)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000069898629 215624855 /nfs/dbraw/zinc/62/48/55/215624855.db2.gz HLDCOVCLIRXKAD-INIZCTEOSA-N 0 0 349.434 3.585 50 30 EHEARN C/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1C ZINC000033349157 212930223 /nfs/dbraw/zinc/93/02/23/212930223.db2.gz VQRHQACSFSCVHK-GDUWUPNNSA-N 0 0 334.347 3.757 50 30 EHEARN N#Cc1cc(NC(=O)c2ccc(Br)o2)ccc1Cl ZINC000032859879 212857409 /nfs/dbraw/zinc/85/74/09/212857409.db2.gz CBBXQJADFVJRON-UHFFFAOYSA-N 0 0 325.549 3.819 50 30 EHEARN Cc1c(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc(C#N)n1C ZINC000072167328 216056775 /nfs/dbraw/zinc/05/67/75/216056775.db2.gz GHDDJVVSRBGHSR-GOSISDBHSA-N 0 0 347.422 3.592 50 30 EHEARN Cc1sc2ncn(/N=C/c3cccnc3)c(=O)c2c1-c1ccccc1 ZINC000000351605 209545178 /nfs/dbraw/zinc/54/51/78/209545178.db2.gz GWOMFTBKPFNDII-SSDVNMTOSA-N 0 0 346.415 3.711 50 30 EHEARN C[S@@](=O)Cc1ccc(Cl)c(NCCOc2ccc(C#N)cc2)c1 ZINC000072287154 216119739 /nfs/dbraw/zinc/11/97/39/216119739.db2.gz HBCDHPHHCPVLMW-QHCPKHFHSA-N 0 0 348.855 3.581 50 30 EHEARN N#Cc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000000172946 209463294 /nfs/dbraw/zinc/46/32/94/209463294.db2.gz QFDWLMQKAGZFCJ-UHFFFAOYSA-N 0 0 337.326 3.703 50 30 EHEARN CS(=O)(=O)c1sc(Cl)c(-c2ccc(Cl)cc2)c1C#N ZINC000000125029 209436704 /nfs/dbraw/zinc/43/67/04/209436704.db2.gz DCZVLGNEJVMRLM-UHFFFAOYSA-N 0 0 332.233 3.997 50 30 EHEARN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000130542661 223160103 /nfs/dbraw/zinc/16/01/03/223160103.db2.gz DMSFFOUNVCVCLE-LLVKDONJSA-N 0 0 327.388 3.900 50 30 EHEARN N#Cc1ccccc1-c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000022409381 212295312 /nfs/dbraw/zinc/29/53/12/212295312.db2.gz RNIPWNDJULEQIT-UHFFFAOYSA-N 0 0 337.386 3.927 50 30 EHEARN COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)cc1 ZINC000021625022 212235130 /nfs/dbraw/zinc/23/51/30/212235130.db2.gz YWYDEOOEBISQBC-HXUWFJFHSA-N 0 0 334.419 3.863 50 30 EHEARN CC(C)c1nc(CC(=O)Nc2cc(C#N)cn2C(C)(C)C)cs1 ZINC000078665303 217097611 /nfs/dbraw/zinc/09/76/11/217097611.db2.gz KPQIBFQEYQHCEH-UHFFFAOYSA-N 0 0 330.457 3.876 50 30 EHEARN N#Cc1ccc([C@H](Sc2ccccc2Br)C(N)=O)cc1 ZINC000079358855 217215207 /nfs/dbraw/zinc/21/52/07/217215207.db2.gz DTCFNYAFZMJITK-AWEZNQCLSA-N 0 0 347.237 3.639 50 30 EHEARN N#Cc1c(CSc2nnc(NC3CC3)s2)cn2ccccc12 ZINC000014182092 211700982 /nfs/dbraw/zinc/70/09/82/211700982.db2.gz PFMMVUNMRGSXEF-UHFFFAOYSA-N 0 0 327.438 3.529 50 30 EHEARN O=[N+](CC(=N[O-])c1cccs1)Cc1ccc(Cl)cc1Cl ZINC000013810331 211643556 /nfs/dbraw/zinc/64/35/56/211643556.db2.gz UTRXCCXCWODGQN-AKFCNSCWSA-N 0 0 329.208 3.863 50 30 EHEARN N#Cc1ccc(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000012748524 211443492 /nfs/dbraw/zinc/44/34/92/211443492.db2.gz MFMPYVSTCRQVOZ-UHFFFAOYSA-N 0 0 343.386 3.590 50 30 EHEARN CC(=O)[C@@H]1[C@@H](c2ccsc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N21 ZINC000012437156 211382137 /nfs/dbraw/zinc/38/21/37/211382137.db2.gz NHRZDEAKMKXVGO-IPMKNSEASA-N 0 0 345.427 3.738 50 30 EHEARN C=CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000011702701 211238333 /nfs/dbraw/zinc/23/83/33/211238333.db2.gz WBVBUQFEQZATLK-QGZVFWFLSA-N 0 0 339.439 3.587 50 30 EHEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1ccccc1F ZINC000011435396 211216246 /nfs/dbraw/zinc/21/62/46/211216246.db2.gz IYQVQRUUUQFEIX-UHFFFAOYSA-N 0 0 336.413 3.810 50 30 EHEARN N#Cc1ccc(OCCOC(=O)c2ccc(Br)cc2)cc1 ZINC000011081702 211204322 /nfs/dbraw/zinc/20/43/22/211204322.db2.gz OFJISWUWXSNBBO-UHFFFAOYSA-N 0 0 346.180 3.557 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)n1 ZINC000010267083 211158933 /nfs/dbraw/zinc/15/89/33/211158933.db2.gz SBNDGPBUIVOQIN-CABCVRRESA-N 0 0 339.464 3.928 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)n1 ZINC000010267084 211158656 /nfs/dbraw/zinc/15/86/56/211158656.db2.gz SBNDGPBUIVOQIN-HUUCEWRRSA-N 0 0 339.464 3.928 50 30 EHEARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000095364463 218297437 /nfs/dbraw/zinc/29/74/37/218297437.db2.gz ZOEOREQYJWDDQT-SFHVURJKSA-N 0 0 336.439 3.575 50 30 EHEARN CC(C)Oc1ccc(NC(=O)NC[C@H](C)C#N)cc1Br ZINC000095416160 218354874 /nfs/dbraw/zinc/35/48/74/218354874.db2.gz AURAHHQHJUYKMW-SNVBAGLBSA-N 0 0 340.221 3.517 50 30 EHEARN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000007706013 210834969 /nfs/dbraw/zinc/83/49/69/210834969.db2.gz KWFNJIAFRQYWLI-OAHLLOKOSA-N 0 0 334.419 3.693 50 30 EHEARN N#Cc1cc2c(nc1[S@@](=O)Cc1ccc(Cl)cc1)CCCC2 ZINC000006660771 210673176 /nfs/dbraw/zinc/67/31/76/210673176.db2.gz CYBUCOVMTAQKIN-JOCHJYFZSA-N 0 0 330.840 3.793 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCc1ccc(C#N)cc1 ZINC000006551035 210651707 /nfs/dbraw/zinc/65/17/07/210651707.db2.gz DPVNKOOTLSYOTJ-UHFFFAOYSA-N 0 0 345.402 3.647 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000005629338 210505746 /nfs/dbraw/zinc/50/57/46/210505746.db2.gz QUGOJXUTXXPWSM-BDJLRTHQSA-N 0 0 333.482 3.831 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000005563163 210490154 /nfs/dbraw/zinc/49/01/54/210490154.db2.gz ZQKCEQTZEUBUSA-SFHVURJKSA-N 0 0 331.371 3.833 50 30 EHEARN COc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000005328075 210439648 /nfs/dbraw/zinc/43/96/48/210439648.db2.gz OYCXONLNNCKOQR-FPLPWBNLSA-N 0 0 343.335 3.517 50 30 EHEARN Cc1nc(SCC(=O)N2CCc3ccccc32)c(C#N)c(C)c1C ZINC000005172609 210406246 /nfs/dbraw/zinc/40/62/46/210406246.db2.gz PEOQILBPYLFTON-UHFFFAOYSA-N 0 0 337.448 3.560 50 30 EHEARN O=[N+]([O-])c1ccc(C(=NNc2ccccc2)c2cc(O)ccc2O)cc1 ZINC000005073574 210384599 /nfs/dbraw/zinc/38/45/99/210384599.db2.gz JCIQRRNULXTYOY-XUTLUUPISA-N 0 0 349.346 3.871 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(F)cc2)CCO[C@](C)(CC)C1 ZINC000005068090 210382155 /nfs/dbraw/zinc/38/21/55/210382155.db2.gz ORZBLSWNBVOAST-UHOSZYNNSA-N 0 0 333.403 3.745 50 30 EHEARN C/C(=N\N=C1\NC(=O)[C@H](Cc2ccc(C)cc2)S1)c1ccccc1 ZINC000005047965 210374275 /nfs/dbraw/zinc/37/42/75/210374275.db2.gz KHPBQEIBCURBAR-JPOGYNCRSA-N 0 0 337.448 3.549 50 30 EHEARN CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C(C)C)cc1 ZINC000000034827 208552515 /nfs/dbraw/zinc/55/25/15/208552515.db2.gz NFJVCSVCPFMKGQ-SFHVURJKSA-N 0 0 339.391 3.888 50 30 EHEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O ZINC000004943152 210334173 /nfs/dbraw/zinc/33/41/73/210334173.db2.gz AFRVVDXVYRJARR-GOSISDBHSA-N 0 0 345.446 3.895 50 30 EHEARN Cc1ccc(C(=O)N[C@@H](C#N)c2ccsc2)c(Br)c1 ZINC000097229713 218999605 /nfs/dbraw/zinc/99/96/05/218999605.db2.gz SXFGJDYAVVCNMI-ZDUSSCGKSA-N 0 0 335.226 3.814 50 30 EHEARN C[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004902585 210318225 /nfs/dbraw/zinc/31/82/25/210318225.db2.gz VSPVHAUHHAFJFU-FWUNCDEUSA-N 0 0 329.450 3.602 50 30 EHEARN N#Cc1cccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007051347 208575882 /nfs/dbraw/zinc/57/58/82/208575882.db2.gz MMSOKKNPKVMVCU-UHFFFAOYSA-N 0 0 337.326 3.703 50 30 EHEARN C[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004902590 210317477 /nfs/dbraw/zinc/31/74/77/210317477.db2.gz VSPVHAUHHAFJFU-OZVLPLFASA-N 0 0 329.450 3.602 50 30 EHEARN COc1ccc(OC)c(CN=Nc2nnc(Cl)c3ccccc32)c1 ZINC000004854344 210302205 /nfs/dbraw/zinc/30/22/05/210302205.db2.gz OIJDTJJOXMNONQ-VXLYETTFSA-N 0 0 342.786 3.746 50 30 EHEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(O)cc2)C1=O ZINC000004819597 210286413 /nfs/dbraw/zinc/28/64/13/210286413.db2.gz CKDJFQXSGGYYSF-LDADJPATSA-N 0 0 349.386 3.578 50 30 EHEARN Cc1ccc2[nH]c3c(ncn(/N=C/c4ccccc4Cl)c3=O)c2c1 ZINC000004828785 210290802 /nfs/dbraw/zinc/29/08/02/210290802.db2.gz RQEDHTQITDHMOE-ZVBGSRNCSA-N 0 0 336.782 3.722 50 30 EHEARN Cc1sc(NC(=O)COc2ccc3c(c2)CCC3)c(C#N)c1C ZINC000004805527 210282399 /nfs/dbraw/zinc/28/23/99/210282399.db2.gz ILBQSMZSCIZRRT-UHFFFAOYSA-N 0 0 326.421 3.743 50 30 EHEARN Cc1ccc(OCC(=O)Nc2cccc(C#N)c2)c(Br)c1 ZINC000000142338 209446851 /nfs/dbraw/zinc/44/68/51/209446851.db2.gz GACYCHGBYJZVHQ-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN CCNC(=O)CCc1c(C)nn(COCC[Si](C)(C)C)c1C ZINC000328599237 258042019 /nfs/dbraw/zinc/04/20/19/258042019.db2.gz QSTNGMROURKLNK-UHFFFAOYSA-N 0 0 325.529 3.721 50 30 EHEARN CCn1c(C)nnc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328587194 258046508 /nfs/dbraw/zinc/04/65/08/258046508.db2.gz GBHHYNNFTNYLFS-HNNXBMFYSA-N 0 0 345.450 3.996 50 30 EHEARN COc1cccc(COCCNC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000330032204 258002650 /nfs/dbraw/zinc/00/26/50/258002650.db2.gz JKSOTHGFCLIIED-AWEZNQCLSA-N 0 0 327.371 3.994 50 30 EHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O ZINC000009531367 258003158 /nfs/dbraw/zinc/00/31/58/258003158.db2.gz NBXAKLAUUGOAFM-ZDLGFXPLSA-N 0 0 338.359 3.553 50 30 biogenic EHEARN NC(CSc1ccccn1)=NOCc1c(Cl)cccc1Cl ZINC000013656588 258056119 /nfs/dbraw/zinc/05/61/19/258056119.db2.gz GLUFZQLLDJFZKN-UHFFFAOYSA-N 0 0 342.251 3.970 50 30 EHEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccn1 ZINC000019923578 258056989 /nfs/dbraw/zinc/05/69/89/258056989.db2.gz JTPWWFXDXIKOGW-YOEHRIQHSA-N 0 0 330.428 3.582 50 30 EHEARN N#CCSCC(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032946370 258059019 /nfs/dbraw/zinc/05/90/19/258059019.db2.gz KXYJOOXVWKAARX-IBGZPJMESA-N 0 0 336.416 3.895 50 30 EHEARN COc1cc(C(=O)/C=C/c2cccc3c2OCO3)ccc1OC(F)F ZINC000040139743 258059811 /nfs/dbraw/zinc/05/98/11/258059811.db2.gz XYHYYNXZGOPUQD-FNORWQNLSA-N 0 0 348.301 3.921 50 30 EHEARN CC(=O)O[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000257346258 258073643 /nfs/dbraw/zinc/07/36/43/258073643.db2.gz WGJULUODXUVWJZ-ZTGNEAELSA-N 0 0 344.451 3.629 50 30 EHEARN C=C(C)CN(CC)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000190742994 518594677 /nfs/dbraw/zinc/59/46/77/518594677.db2.gz CCHWLSURAAOICD-UHFFFAOYSA-N 0 0 341.377 3.994 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccs1 ZINC000004943563 518796402 /nfs/dbraw/zinc/79/64/02/518796402.db2.gz CTCYENASAPEUQB-UHFFFAOYSA-N 0 0 339.420 3.935 50 30 EHEARN C=CCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)o1 ZINC000004060789 519083368 /nfs/dbraw/zinc/08/33/68/519083368.db2.gz NXZJSEPYYSVSEI-UHFFFAOYSA-N 0 0 349.419 3.991 50 30 EHEARN C=CCn1c(C)nnc1SCC(=O)c1c(C)[nH]c2ccccc21 ZINC000006909441 519172389 /nfs/dbraw/zinc/17/23/89/519172389.db2.gz SYIXVYIVISTQPL-UHFFFAOYSA-N 0 0 326.425 3.537 50 30 EHEARN CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc(O)cc1 ZINC000008690935 520023482 /nfs/dbraw/zinc/02/34/82/520023482.db2.gz UPTZHMXVDFHCMU-OBGWFSINSA-N 0 0 340.489 3.786 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)CSc2ccccn2)cc1 ZINC000008705062 521027968 /nfs/dbraw/zinc/02/79/68/521027968.db2.gz RTIOMJJXNVGXGV-UHFFFAOYSA-N 0 0 341.436 3.519 50 30 EHEARN CN(C)c1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1 ZINC000000255327 522138605 /nfs/dbraw/zinc/13/86/05/522138605.db2.gz ACCIHRIPMVFQGT-NDENLUEZSA-N 0 0 337.452 3.519 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1C ZINC000011334804 523401901 /nfs/dbraw/zinc/40/19/01/523401901.db2.gz NNZUICALBAGODD-SOFGYWHQSA-N 0 0 337.419 3.736 50 30 EHEARN COc1ccc(C(=O)C=CNc2ccc(C(C)=O)cc2)cc1OC ZINC000000444429 523535877 /nfs/dbraw/zinc/53/58/77/523535877.db2.gz BGQGZBNVCZYFQU-ZHACJKMWSA-N 0 0 325.364 3.715 50 30 EHEARN CN(c1ccccc1NC(=O)N(CCC#N)C1CC1)C1CCCC1 ZINC000089365586 523656290 /nfs/dbraw/zinc/65/62/90/523656290.db2.gz KVVZLQKLCUCLRW-UHFFFAOYSA-N 0 0 326.444 3.975 50 30 EHEARN CCc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000033906372 523870015 /nfs/dbraw/zinc/87/00/15/523870015.db2.gz RSHZUEHFYMKWDF-UCQKPKSFSA-N 0 0 332.407 3.835 50 30 EHEARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc(CC#N)cc2)cc1Cl ZINC000012542398 524583906 /nfs/dbraw/zinc/58/39/06/524583906.db2.gz BZYPVDJVYCLNSX-GFCCVEGCSA-N 0 0 343.814 3.854 50 30 EHEARN C[C@@H]1C[C@@H](C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000249152316 525183692 /nfs/dbraw/zinc/18/36/92/525183692.db2.gz XXHGYJDPXOKMTM-XZSJDRIPSA-N 0 0 344.499 3.901 50 30 EHEARN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000014932095 525299361 /nfs/dbraw/zinc/29/93/61/525299361.db2.gz MABPCGQGRMFJCR-AWEZNQCLSA-N 0 0 333.863 3.675 50 30 EHEARN CS[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000069879391 525860099 /nfs/dbraw/zinc/86/00/99/525860099.db2.gz JKAWIHLXSMGEKE-MFKMUULPSA-N 0 0 327.434 3.610 50 30 EHEARN N#CCCCS(=O)(=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000190952071 526447230 /nfs/dbraw/zinc/44/72/30/526447230.db2.gz UYMCUNWQRFURDQ-UHFFFAOYSA-N 0 0 340.857 3.682 50 30 EHEARN N=C(NOC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 ZINC000004833657 526810862 /nfs/dbraw/zinc/81/08/62/526810862.db2.gz FGCWCUGPUDYYGZ-UHFFFAOYSA-N 0 0 344.414 3.949 50 30 EHEARN CC(=O)Nc1cccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000170592874 527070855 /nfs/dbraw/zinc/07/08/55/527070855.db2.gz BMOZKRSRKMJBNV-UHFFFAOYSA-N 0 0 345.406 3.529 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 ZINC000000195060 563257652 /nfs/dbraw/zinc/25/76/52/563257652.db2.gz HSNPKUVSRWSWLV-LJQANCHMSA-N 0 0 339.435 3.780 50 30 EHEARN C/C(=N\NC(=S)Nc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000288518 563273480 /nfs/dbraw/zinc/27/34/80/563273480.db2.gz DQUVEZVIGCRRGK-LDADJPATSA-N 0 0 328.397 3.614 50 30 EHEARN CC1(C)CC(=O)C(=CNc2ccc(OC(F)(F)F)cc2)C(=O)C1 ZINC000001395106 563386316 /nfs/dbraw/zinc/38/63/16/563386316.db2.gz QGTWVKWGJVHXCD-UHFFFAOYSA-N 0 0 327.302 3.839 50 30 EHEARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)/C=C/N(C)C ZINC000003133150 563474092 /nfs/dbraw/zinc/47/40/92/563474092.db2.gz TXIBBFYUMFHCKG-WTSVBCDHSA-N 0 0 338.782 3.879 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000005816985 563551477 /nfs/dbraw/zinc/55/14/77/563551477.db2.gz FUTVZXJCFXGKTQ-KRWDZBQOSA-N 0 0 337.350 3.590 50 30 EHEARN N#CCC[C@H](C#N)CSc1nnc(Nc2ccccc2F)s1 ZINC000012980255 563681270 /nfs/dbraw/zinc/68/12/70/563681270.db2.gz FLVDMBXCQMHSBW-SNVBAGLBSA-N 0 0 333.417 3.956 50 30 EHEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000014175792 563747171 /nfs/dbraw/zinc/74/71/71/563747171.db2.gz LJHFHMCAHLNWAF-MRXNPFEDSA-N 0 0 334.371 3.707 50 30 EHEARN Cc1ccc(OCc2nnc(NC(=O)OCC(C)C)s2)c(C)c1 ZINC000017112358 563836803 /nfs/dbraw/zinc/83/68/03/563836803.db2.gz UUWFDCTXJRXCMT-UHFFFAOYSA-N 0 0 335.429 3.952 50 30 aggregator EHEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccco1 ZINC000018266537 563851881 /nfs/dbraw/zinc/85/18/81/563851881.db2.gz JNARDGHQUCAHAW-QGZVFWFLSA-N 0 0 347.374 3.735 50 30 EHEARN C=CCOc1ccc(C(=O)NC(C)(C)c2c(C)noc2C)cc1OC ZINC000286507738 563915348 /nfs/dbraw/zinc/91/53/48/563915348.db2.gz SODVJQKGYAMGBV-UHFFFAOYSA-N 0 0 344.411 3.530 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2scnc2Cl)cc1 ZINC000071889095 563930658 /nfs/dbraw/zinc/93/06/58/563930658.db2.gz JQVVDUHUTNMVLV-UHFFFAOYSA-N 0 0 335.816 3.756 50 30 EHEARN COCCOc1ccc(C(=O)/C=C\c2ccccc2OCC#N)cc1 ZINC000096307364 563933215 /nfs/dbraw/zinc/93/32/15/563933215.db2.gz DRNWIVORSYHUIN-FLIBITNWSA-N 0 0 337.375 3.510 50 30 EHEARN C[C@H](c1ccc(Cl)cc1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000058216134 563940073 /nfs/dbraw/zinc/94/00/73/563940073.db2.gz GBMJIHBGVMOHBM-YJYMSZOUSA-N 0 0 345.874 3.674 50 30 EHEARN Cc1ccc(-c2nc(NC(=O)CSCc3ccccn3)n[nH]2)s1 ZINC000058218989 563940187 /nfs/dbraw/zinc/94/01/87/563940187.db2.gz WSXPEVJYIJXTEG-UHFFFAOYSA-N 0 0 345.453 3.758 50 30 EHEARN Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n(CCC#N)n1 ZINC000058289372 563941823 /nfs/dbraw/zinc/94/18/23/563941823.db2.gz VFGFHXCAUDKIKI-UHFFFAOYSA-N 0 0 340.280 3.515 50 30 EHEARN NC(Cc1ccccc1)=NOCc1c(Cl)ccc2cccnc21 ZINC000058381619 563944477 /nfs/dbraw/zinc/94/44/77/563944477.db2.gz UXOXDRZXBCNNCQ-UHFFFAOYSA-N 0 0 325.799 3.920 50 30 EHEARN COc1ccc(-c2cc(-c3cc(C)cs3)nc(N)c2C#N)cc1O ZINC000071639241 563966479 /nfs/dbraw/zinc/96/64/79/563966479.db2.gz HQFJNUBTBBBFFL-UHFFFAOYSA-N 0 0 337.404 3.954 50 30 EHEARN Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2C)cc1 ZINC000033362027 563974927 /nfs/dbraw/zinc/97/49/27/563974927.db2.gz WPYHUHAZQBEUES-YOPNLDQXSA-N 0 0 337.448 3.769 50 30 EHEARN COc1c(C)c(/C=C/[C@@H](O)CC(=O)/C=C/c2ccccc2)ccc1O ZINC000096034797 563977954 /nfs/dbraw/zinc/97/79/54/563977954.db2.gz KGQDDZPSSRZPLN-SGSSSKJYSA-N 0 0 338.403 3.756 50 30 EHEARN CC[C@@H](OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1ccccc1 ZINC000328592457 563984222 /nfs/dbraw/zinc/98/42/22/563984222.db2.gz OCTBQROXDXWDEU-QGZVFWFLSA-N 0 0 327.380 3.848 50 30 EHEARN CCC(CC)n1ncc(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1C ZINC000408517467 563992865 /nfs/dbraw/zinc/99/28/65/563992865.db2.gz KBQQRCKZTDPUFV-UHFFFAOYSA-N 0 0 346.381 3.633 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000247992945 563994982 /nfs/dbraw/zinc/99/49/82/563994982.db2.gz LHHAOXPCVBTLRR-XBFCOCLRSA-N 0 0 340.345 3.697 50 30 EHEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000005164842 563997600 /nfs/dbraw/zinc/99/76/00/563997600.db2.gz WWPFNQNNLBZEAI-SXGWCWSVSA-N 0 0 327.311 3.502 50 30 EHEARN Cc1ccc(C=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000252462842 563997663 /nfs/dbraw/zinc/99/76/63/563997663.db2.gz WRXWDDJYKGNUCT-UHFFFAOYSA-N 0 0 328.437 3.530 50 30 EHEARN C=CCN1C(=S)N=NC1[C@H](C)Oc1ccc(Br)cc1 ZINC000002526635 563998302 /nfs/dbraw/zinc/99/83/02/563998302.db2.gz LDTDRVGVKBWRPS-VIFPVBQESA-N 0 0 340.246 3.655 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1OC ZINC000000428088 563998872 /nfs/dbraw/zinc/99/88/72/563998872.db2.gz CYMZGBHTMRBKGS-BEFAXECRSA-N 0 0 340.375 3.608 50 30 EHEARN Cc1nc(SCC(=O)Nc2c(F)cccc2F)c(C#N)c(C)c1C ZINC000005172604 563999932 /nfs/dbraw/zinc/99/99/32/563999932.db2.gz PPTSCRAFWLSWCF-UHFFFAOYSA-N 0 0 347.390 3.888 50 30 EHEARN C[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000033923785 564000741 /nfs/dbraw/zinc/00/07/41/564000741.db2.gz OPKYFZMKAXOIAK-CJARSDEPSA-N 0 0 341.411 3.680 50 30 EHEARN COC(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000005531490 564005179 /nfs/dbraw/zinc/00/51/79/564005179.db2.gz XAZCWRHTRAVFGA-UHFFFAOYSA-N 0 0 348.811 3.549 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCCc2occc21 ZINC000188784867 564013619 /nfs/dbraw/zinc/01/36/19/564013619.db2.gz DDAFUOQPTIBTCD-CQSZACIVSA-N 0 0 340.383 3.556 50 30 EHEARN C=CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccco1 ZINC000100875012 564017014 /nfs/dbraw/zinc/01/70/14/564017014.db2.gz SYPDNFFJOBFHOU-ZCXUNETKSA-N 0 0 328.393 3.622 50 30 EHEARN C=CCn1c2c(cccc2C)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100909642 564017037 /nfs/dbraw/zinc/01/70/37/564017037.db2.gz QETGFGKNYIULLZ-VZCXRCSSSA-N 0 0 333.416 3.810 50 30 EHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100909633 564017045 /nfs/dbraw/zinc/01/70/45/564017045.db2.gz PKICQEHYSKQLDP-VZCXRCSSSA-N 0 0 349.415 3.510 50 30 EHEARN C=CCn1c(SC)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 ZINC000000496030 564017989 /nfs/dbraw/zinc/01/79/89/564017989.db2.gz MXMZMYQXBZEXMK-MRXNPFEDSA-N 0 0 336.482 3.607 50 30 EHEARN CSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(Cl)c2)o1 ZINC000101093354 564018830 /nfs/dbraw/zinc/01/88/30/564018830.db2.gz WAHYSTYSCZZKBQ-NSHDSACASA-N 0 0 334.784 3.616 50 30 EHEARN Cc1nc(C(=O)N(Cc2ccco2)Cc2cccs2)ccc1C#N ZINC000024463148 564021071 /nfs/dbraw/zinc/02/10/71/564021071.db2.gz QBNCXXZDTSPSPY-UHFFFAOYSA-N 0 0 337.404 3.759 50 30 EHEARN O=c1[nH]c2ccccc2cc1C=NCCCN1CCc2ccccc21 ZINC000103008191 564021134 /nfs/dbraw/zinc/02/11/34/564021134.db2.gz AZBNIMZRKSZONB-PXLXIMEGSA-N 0 0 331.419 3.812 50 30 EHEARN Cc1cccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)c1 ZINC000000528908 564021371 /nfs/dbraw/zinc/02/13/71/564021371.db2.gz AJPRUJFZVUQWDE-UHFFFAOYSA-N 0 0 333.347 3.863 50 30 EHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(C)c1 ZINC000103504688 564022588 /nfs/dbraw/zinc/02/25/88/564022588.db2.gz XMONPQKEHCOEBV-MRXNPFEDSA-N 0 0 336.391 3.663 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC(OCc2ccccc2)CC1 ZINC000044975064 564027893 /nfs/dbraw/zinc/02/78/93/564027893.db2.gz HDFXJPLFUAZUKB-UHFFFAOYSA-N 0 0 333.844 3.854 50 30 EHEARN COc1cccc(NN=C2C(=O)Nc3c2ccc(Cl)c3Cl)c1 ZINC000046096418 564029596 /nfs/dbraw/zinc/02/95/96/564029596.db2.gz YUAIFLUIRZPCMI-UHFFFAOYSA-N 0 0 336.178 3.770 50 30 EHEARN CC(C)c1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000033047761 564036421 /nfs/dbraw/zinc/03/64/21/564036421.db2.gz JKFVKPFBBKQANE-UHFFFAOYSA-N 0 0 328.437 3.502 50 30 EHEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000242688639 564052109 /nfs/dbraw/zinc/05/21/09/564052109.db2.gz VVSMJVQHDZUPIL-DPMXFYLUSA-N 0 0 344.451 3.629 50 30 EHEARN CCc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)sc1C ZINC000005788962 564052177 /nfs/dbraw/zinc/05/21/77/564052177.db2.gz QAMHWIRXVJMMGF-LLVKDONJSA-N 0 0 342.420 3.675 50 30 EHEARN C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CF ZINC000257358512 564055961 /nfs/dbraw/zinc/05/59/61/564055961.db2.gz UXQRVGWQURFJGJ-DNWZOHJTSA-N 0 0 348.458 3.644 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@@]12C ZINC000257357867 564055975 /nfs/dbraw/zinc/05/59/75/564055975.db2.gz QLULPRPVLIPVFS-ORRBJFQDSA-N 0 0 332.484 3.727 50 30 EHEARN CCc1cc(NC(=O)c2cc(C)cs2)nn1-c1ccc(C#N)cc1 ZINC000034907308 564057245 /nfs/dbraw/zinc/05/72/45/564057245.db2.gz DLKWSFHLHQFVAQ-UHFFFAOYSA-N 0 0 336.420 3.929 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COC)c1 ZINC000063390969 564057348 /nfs/dbraw/zinc/05/73/48/564057348.db2.gz FANSNCPHGBTMIF-UHFFFAOYSA-N 0 0 335.407 3.925 50 30 EHEARN Cc1cc(C)c2nc(SCC(=O)N(C)CCC#N)cc(C)c2c1 ZINC000012531993 564058304 /nfs/dbraw/zinc/05/83/04/564058304.db2.gz PAMIWDLSPURAFB-UHFFFAOYSA-N 0 0 327.453 3.624 50 30 EHEARN N#Cc1cccc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000075093295 564064099 /nfs/dbraw/zinc/06/40/99/564064099.db2.gz DBLRSQJRRNCMGK-UHFFFAOYSA-N 0 0 329.277 3.786 50 30 EHEARN C=CCNc1ccccc1C(=O)N(CCOC)Cc1cccs1 ZINC000065455116 564066785 /nfs/dbraw/zinc/06/67/85/564066785.db2.gz KDQUNAUPLWGAEQ-UHFFFAOYSA-N 0 0 330.453 3.635 50 30 EHEARN Cc1csc(C2(NC(=O)Nc3cccc(C#N)c3)CCCC2)n1 ZINC000084268199 564067618 /nfs/dbraw/zinc/06/76/18/564067618.db2.gz PLOSVOWXGRGDGX-UHFFFAOYSA-N 0 0 326.425 3.914 50 30 EHEARN Cc1ccsc1[C@@H]1NC(=S)NC(C)=C1C(=O)c1ccccc1 ZINC000006051338 564073059 /nfs/dbraw/zinc/07/30/59/564073059.db2.gz DRWKBZDPFPFXCD-CQSZACIVSA-N 0 0 328.462 3.732 50 30 EHEARN O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)NC(=O)N2 ZINC000006053349 564073083 /nfs/dbraw/zinc/07/30/83/564073083.db2.gz QXGRCWXHWULFDD-HXUWFJFHSA-N 0 0 348.402 3.627 50 30 EHEARN C=CCOc1c(Cl)cc(C=C2SC(=O)NC2=O)cc1OCC ZINC000013843899 564074025 /nfs/dbraw/zinc/07/40/25/564074025.db2.gz BERYSNQSCGWQEC-WQLSENKSSA-N 0 0 339.800 3.627 50 30 EHEARN C#CC1(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000000094569 564074473 /nfs/dbraw/zinc/07/44/73/564074473.db2.gz QZWHIFOJRNZWCC-UHFFFAOYSA-N 0 0 332.252 3.608 50 30 EHEARN C=C[C@H]([C@H](OC(C)=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000478255 564074577 /nfs/dbraw/zinc/07/45/77/564074577.db2.gz SPXYZLXRNASYAI-RTBURBONSA-N 0 0 344.432 3.628 50 30 EHEARN C=C(C)Cn1c(=O)c2c([n-]c1=S)sc1c2C[C@](C)(CC)OC1 ZINC000001253793 564074652 /nfs/dbraw/zinc/07/46/52/564074652.db2.gz SKTGCYOHIAWVCY-INIZCTEOSA-N 0 0 336.482 3.938 50 30 EHEARN CSc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 ZINC000239165204 564075051 /nfs/dbraw/zinc/07/50/51/564075051.db2.gz NRNWHIYQAKZDIM-UHFFFAOYSA-N 0 0 325.481 3.560 50 30 EHEARN C=CCn1c(=O)sc2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000015865073 564077180 /nfs/dbraw/zinc/07/71/80/564077180.db2.gz KIMQTGHPHGLZKI-UHFFFAOYSA-N 0 0 338.432 3.820 50 30 EHEARN N#Cc1ccc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 ZINC000012925801 564078495 /nfs/dbraw/zinc/07/84/95/564078495.db2.gz MBRTYIAZFCDIMK-DHDCSXOGSA-N 0 0 340.285 3.504 50 30 EHEARN N#C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC000075093770 564080025 /nfs/dbraw/zinc/08/00/25/564080025.db2.gz ZNZQUOCQKMNBQH-MRXNPFEDSA-N 0 0 334.366 3.516 50 30 EHEARN Cc1ccsc1-c1nc(NC(=O)c2cc(-c3ccco3)on2)n[nH]1 ZINC000075141379 564080669 /nfs/dbraw/zinc/08/06/69/564080669.db2.gz MMFJHPRRHZNICL-UHFFFAOYSA-N 0 0 341.352 3.726 50 30 EHEARN N#Cc1ccc(COCC2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000075156591 564080930 /nfs/dbraw/zinc/08/09/30/564080930.db2.gz SBVBPMGGOKCKDX-UHFFFAOYSA-N 0 0 340.448 3.689 50 30 EHEARN CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2sccc2C#N)CC1 ZINC000006313379 564084487 /nfs/dbraw/zinc/08/44/87/564084487.db2.gz XNJCBVIJSPLXGC-UHFFFAOYSA-N 0 0 348.468 3.954 50 30 EHEARN C=CCNC(=S)N=NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000001969271 564090379 /nfs/dbraw/zinc/09/03/79/564090379.db2.gz OCBOMSGUDQQNRG-CIAFOILYSA-N 0 0 343.427 3.800 50 30 EHEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccnc1 ZINC000006998315 564102767 /nfs/dbraw/zinc/10/27/67/564102767.db2.gz JMUBASAFARRKDU-OOJYJCHZSA-N 0 0 331.419 3.614 50 30 EHEARN N#Cc1ccsc1NC(=O)COc1cccc(Cl)c1Cl ZINC000007133668 564105385 /nfs/dbraw/zinc/10/53/85/564105385.db2.gz SZBLAJOUMZTGMH-UHFFFAOYSA-N 0 0 327.192 3.944 50 30 EHEARN CCOC(=O)c1sc(N)c(C#N)c1CSCc1ccccc1 ZINC000007523198 564109810 /nfs/dbraw/zinc/10/98/10/564109810.db2.gz HBKXAOFUCSOAGT-UHFFFAOYSA-N 0 0 332.450 3.812 50 30 EHEARN C=C(C)CN(CC)C(=O)[C@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000071794638 564111128 /nfs/dbraw/zinc/11/11/28/564111128.db2.gz QULJVZNDHNSSMN-AWEZNQCLSA-N 0 0 344.484 3.685 50 30 EHEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N\N=C\c1ccccc1 ZINC000016711732 564112774 /nfs/dbraw/zinc/11/27/74/564112774.db2.gz UAUVPRONXAAGKY-ACUSFWJRSA-N 0 0 349.459 3.749 50 30 EHEARN CCOc1ccc2ncc(C#N)c(Nc3ccc4c(c3)OCO4)c2c1 ZINC000016840749 564113767 /nfs/dbraw/zinc/11/37/67/564113767.db2.gz CLCSXOGVQWYHMC-UHFFFAOYSA-N 0 0 333.347 3.977 50 30 EHEARN Cc1ccc(NN=C2c3cc(Br)ccc3NC2=O)cc1 ZINC000014806455 564116877 /nfs/dbraw/zinc/11/68/77/564116877.db2.gz RMDRGPVMEPHCKB-UHFFFAOYSA-N 0 0 330.185 3.526 50 30 EHEARN N#C[C@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1Cl ZINC000252489032 564119440 /nfs/dbraw/zinc/11/94/40/564119440.db2.gz JDWAYDBPBYUCTK-PBHICJAKSA-N 0 0 338.794 3.781 50 30 EHEARN CCOC(=O)/C(=N/Nc1cccc(C)c1)N1CCCc2ccccc21 ZINC000002206917 564121126 /nfs/dbraw/zinc/12/11/26/564121126.db2.gz CFMRAGUXCLVDQH-QOCHGBHMSA-N 0 0 337.423 3.736 50 30 EHEARN CC1=CC(=NN=c2ccc3ccccc3n2C)c2ccccc2C1=O ZINC000252604169 564121246 /nfs/dbraw/zinc/12/12/46/564121246.db2.gz FXQZDSRAMFHGAA-UHFFFAOYSA-N 0 0 327.387 3.626 50 30 EHEARN COCc1cc(C)nc(N=NCc2c(C)[nH]c3ccccc32)c1C#N ZINC000252612045 564121832 /nfs/dbraw/zinc/12/18/32/564121832.db2.gz IPIKXJDLBOJKGO-UHFFFAOYSA-N 0 0 333.395 3.644 50 30 EHEARN COCCN1C(=O)/C(=C\c2cccs2)SC1=Nc1ccccc1 ZINC000252612931 564121892 /nfs/dbraw/zinc/12/18/92/564121892.db2.gz IXGZAZDWTARKPB-PPMQQXKDSA-N 0 0 344.461 3.999 50 30 EHEARN CCCc1ccc(O)c(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000252617150 564122126 /nfs/dbraw/zinc/12/21/26/564122126.db2.gz KNCRPWQIEUJKOQ-UHFFFAOYSA-N 0 0 328.324 3.732 50 30 EHEARN CN1C(=O)/C(=C\c2ccccc2OCC#N)SC1=Nc1ccccc1 ZINC000252631359 564124009 /nfs/dbraw/zinc/12/40/09/564124009.db2.gz VJYYSUWVYFXSCQ-BEOJHSSFSA-N 0 0 349.415 3.823 50 30 EHEARN CSc1nc(SCc2c(F)cccc2Cl)nc(N)c1C#N ZINC000019911187 564129087 /nfs/dbraw/zinc/12/90/87/564129087.db2.gz BVLNDEJWIUJRHB-UHFFFAOYSA-N 0 0 340.836 3.737 50 30 EHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@@H](c1ccco1)CC(=O)O3 ZINC000253404768 564130639 /nfs/dbraw/zinc/13/06/39/564130639.db2.gz HYKFZEBENMQFOP-WPBJZHHJSA-N 0 0 348.310 3.930 50 30 biogenic EHEARN CN(Cc1cscn1)Cc1cccc(Nc2ncccc2C#N)c1 ZINC000253430372 564131334 /nfs/dbraw/zinc/13/13/34/564131334.db2.gz KVYHLUOOPDYVRD-UHFFFAOYSA-N 0 0 335.436 3.785 50 30 EHEARN CS[C@H]1CCCC[C@@]1(O)CSc1nc2c(cc1C#N)CCCC2 ZINC000000034227 564132717 /nfs/dbraw/zinc/13/27/17/564132717.db2.gz SNDMFDJNRHSDPA-FUHWJXTLSA-N 0 0 348.537 3.961 50 30 EHEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CO1 ZINC000253500213 564132815 /nfs/dbraw/zinc/13/28/15/564132815.db2.gz ZQSQEUPUOWBSRX-IUWGVDQNSA-N 0 0 348.527 3.766 50 30 biogenic EHEARN Cc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1Cl ZINC000000143638 564132907 /nfs/dbraw/zinc/13/29/07/564132907.db2.gz ZRHSXLQCEWFJAX-UHFFFAOYSA-N 0 0 333.782 3.989 50 30 EHEARN CC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2 ZINC000000159918 564132930 /nfs/dbraw/zinc/13/29/30/564132930.db2.gz ZNSXHPAUQOBJKS-UHFFFAOYSA-N 0 0 344.370 3.947 50 30 EHEARN N#Cc1ccc(-c2csc(COc3ccc4nonc4c3)n2)cc1 ZINC000000169253 564132944 /nfs/dbraw/zinc/13/29/44/564132944.db2.gz PVXRMXYJZMAZDA-UHFFFAOYSA-N 0 0 334.360 3.797 50 30 EHEARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc2c1 ZINC000006908921 564133776 /nfs/dbraw/zinc/13/37/76/564133776.db2.gz XBSSNVOSJSLTMD-LBPRGKRZSA-N 0 0 336.420 3.862 50 30 EHEARN CC(C)n1cnnc1CN(C)Cc1ccc(-c2ccccc2C#N)o1 ZINC000077427798 564134287 /nfs/dbraw/zinc/13/42/87/564134287.db2.gz ZOQBNFJVXPNXQB-UHFFFAOYSA-N 0 0 335.411 3.623 50 30 EHEARN Cc1nc(C#N)c(NC[C@@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000027794000 564134564 /nfs/dbraw/zinc/13/45/64/564134564.db2.gz AWYDKFHWPMYNOR-INIZCTEOSA-N 0 0 330.819 3.757 50 30 EHEARN C=CCn1c(N)c(C(=O)OCCCCC)c2nc3ccccc3nc21 ZINC000002406710 564134621 /nfs/dbraw/zinc/13/46/21/564134621.db2.gz GUNMKQOUBIIMRO-UHFFFAOYSA-N 0 0 338.411 3.700 50 30 EHEARN CCc1nc(NC(=O)c2cnn(CC3CCOCC3)c2C)sc1C ZINC000328587977 564136590 /nfs/dbraw/zinc/13/65/90/564136590.db2.gz KWHUEAOHPDECMI-UHFFFAOYSA-N 0 0 348.472 3.582 50 30 EHEARN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1CCS(=O)(=O)CC1)CCC2 ZINC000328904483 564137450 /nfs/dbraw/zinc/13/74/50/564137450.db2.gz ACEXCJXIYQIXHA-SFHVURJKSA-N 0 0 349.496 3.969 50 30 EHEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccncc3)n2)cc1 ZINC000019925214 564138274 /nfs/dbraw/zinc/13/82/74/564138274.db2.gz DHIROIDALFLLSE-UHFFFAOYSA-N 0 0 325.353 3.559 50 30 EHEARN CC(=O)N(c1nc(CN(CC#N)C2CCCCCC2)cs1)C1CC1 ZINC000095418536 564139823 /nfs/dbraw/zinc/13/98/23/564139823.db2.gz NDLNNZHAXOLFDY-UHFFFAOYSA-N 0 0 346.500 3.707 50 30 EHEARN N#Cc1cc(C(F)(F)F)ccc1NCCCOC1CCOCC1 ZINC000095965309 564142922 /nfs/dbraw/zinc/14/29/22/564142922.db2.gz FXJQUXCOMYPUFN-UHFFFAOYSA-N 0 0 328.334 3.575 50 30 EHEARN N#C[C@H](NC(=O)/C=C\c1cccc2cccnc12)c1ccccc1F ZINC000096190011 564145919 /nfs/dbraw/zinc/14/59/19/564145919.db2.gz WRJZBJULZAVRKY-LENZSSGSSA-N 0 0 331.350 3.768 50 30 EHEARN CC(C)Oc1ccc(C2=N/C(=C/c3cccc(C#N)c3)C(=O)O2)cc1 ZINC000096939630 564149003 /nfs/dbraw/zinc/14/90/03/564149003.db2.gz GKDFORWDLBUYTO-WOJGMQOQSA-N 0 0 332.359 3.690 50 30 EHEARN COc1ccccc1[C@H](C#N)NC(=O)c1scnc1C1CCCC1 ZINC000097115701 564149445 /nfs/dbraw/zinc/14/94/45/564149445.db2.gz KEKDWXOJRZVDDQ-AWEZNQCLSA-N 0 0 341.436 3.804 50 30 EHEARN Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc(O)c(Br)c1)O2 ZINC000299738325 564150503 /nfs/dbraw/zinc/15/05/03/564150503.db2.gz VWNPSPAYVTVDHQ-AUWJEWJLSA-N 0 0 347.164 3.785 50 30 EHEARN Cc1c(-c2ccccc2)oc2c(C(=O)O[C@@H](C)C#N)cccc2c1=O ZINC000002630008 564151430 /nfs/dbraw/zinc/15/14/30/564151430.db2.gz QZBXAWSVFQABEE-LBPRGKRZSA-N 0 0 333.343 3.837 50 30 EHEARN CC(C)(C)[C@]1(c2ccccc2)NC(=O)C2=C(CC(C)(C)CC2=O)O1 ZINC000003130112 564155366 /nfs/dbraw/zinc/15/53/66/564155366.db2.gz UEIYKBYQBDNRLI-HXUWFJFHSA-N 0 0 327.424 3.675 50 30 EHEARN C=CCNC(=S)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000003247732 564156541 /nfs/dbraw/zinc/15/65/41/564156541.db2.gz JRDAXPPYZPURIK-QGZVFWFLSA-N 0 0 336.888 3.671 50 30 EHEARN N#Cc1ccc(C2=NN(c3ncccn3)[C@@H](c3cccs3)C2)cc1 ZINC000058172711 564157934 /nfs/dbraw/zinc/15/79/34/564157934.db2.gz WRFJMQZYHQLBEN-MRXNPFEDSA-N 0 0 331.404 3.765 50 30 EHEARN C=C(Cl)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000008231880 564163729 /nfs/dbraw/zinc/16/37/29/564163729.db2.gz XGSJVBXHPHJOAV-UHFFFAOYSA-N 0 0 342.804 3.607 50 30 EHEARN CC(=O)c1cccc(O[C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000068902242 564167819 /nfs/dbraw/zinc/16/78/19/564167819.db2.gz QKKVPCNTRICKCN-XJKSGUPXSA-N 0 0 348.358 3.674 50 30 EHEARN CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000245266132 564168911 /nfs/dbraw/zinc/16/89/11/564168911.db2.gz IQNLYDWTVUNPAB-GFCCVEGCSA-N 0 0 348.349 3.741 50 30 EHEARN N#Cc1ccc(NCC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC000069462195 564169754 /nfs/dbraw/zinc/16/97/54/564169754.db2.gz HRGAOCKJKAOESM-IBGZPJMESA-N 0 0 334.423 3.509 50 30 EHEARN C=C(Cl)CN(C(=O)CCc1cnn(C)c1)[C@@H]1CCc2ccccc21 ZINC000069509488 564169995 /nfs/dbraw/zinc/16/99/95/564169995.db2.gz MNESJDJLZDVQTF-GOSISDBHSA-N 0 0 343.858 3.621 50 30 EHEARN C=C(Cl)CN(C(=O)c1ccc(C)[nH]c1=O)[C@H]1CCc2ccccc21 ZINC000069534183 564170326 /nfs/dbraw/zinc/17/03/26/564170326.db2.gz WIEKWFYOEICWEO-KRWDZBQOSA-N 0 0 342.826 3.566 50 30 EHEARN CC(C)(C)CN(CCC#N)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000069708815 564171689 /nfs/dbraw/zinc/17/16/89/564171689.db2.gz NXLVOPOEDYKOFO-UHFFFAOYSA-N 0 0 325.412 3.672 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069737769 564171796 /nfs/dbraw/zinc/17/17/96/564171796.db2.gz PJMIQPJBBJQNAW-KGLIPLIRSA-N 0 0 339.361 3.693 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)Cc1ccc2ccccc2c1 ZINC000069779343 564172175 /nfs/dbraw/zinc/17/21/75/564172175.db2.gz DVUFUFLXSKCGLU-UHFFFAOYSA-N 0 0 329.403 3.720 50 30 EHEARN Cc1ccccc1-n1ncc(C(=O)C(C#N)c2ccccn2)c1C1CC1 ZINC000041481075 564173981 /nfs/dbraw/zinc/17/39/81/564173981.db2.gz UGYBXKHYWULHEK-MRXNPFEDSA-N 0 0 342.402 3.943 50 30 EHEARN C=CCNC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000071280411 564174870 /nfs/dbraw/zinc/17/48/70/564174870.db2.gz XXDLWGOKQMCIMM-ZDUSSCGKSA-N 0 0 328.239 3.807 50 30 EHEARN CCN(CC(=O)Nc1ccc(Cl)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741788 564175185 /nfs/dbraw/zinc/17/51/85/564175185.db2.gz LWPDCFHUOAXILC-ZDUSSCGKSA-N 0 0 342.830 3.628 50 30 EHEARN CN1C(=O)N(c2ccccc2)[C@@H](O/N=C(/C#N)c2ccccc2)C1(C)C ZINC000022203739 1018491161 /nfs/dbraw/zinc/49/11/61/1018491161.db2.gz NXMJVMGIUXXTGB-LSOGNMMWSA-N 0 0 348.406 3.608 50 30 EHEARN O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647641 1020345232 /nfs/dbraw/zinc/34/52/32/1020345232.db2.gz LZJKDNBWGZNLPP-BAQGIRSFSA-N 0 0 332.281 3.771 50 30 EHEARN C[C@H]1CCc2c(sc(NC(=S)NC(=O)C(C)(C)C)c2C#N)C1 ZINC000000559971 1024982532 /nfs/dbraw/zinc/98/25/32/1024982532.db2.gz HXOVWMQWIBPONP-VIFPVBQESA-N 0 0 335.498 3.604 50 30 EHEARN O=C(/C=C/c1ccccc1)N=C1N=C2C=CC=CN2Cc2ccccc21 ZINC000252679293 1038808357 /nfs/dbraw/zinc/80/83/57/1038808357.db2.gz KKWSTLJSUMQGIU-XGLFGOAQSA-N 0 0 339.398 3.971 50 30 EHEARN O=C(Nc1ccc(N2CCCCC2)nc1)N1Cc2ccccc2CO1 ZINC000329483015 1040267552 /nfs/dbraw/zinc/26/75/52/1040267552.db2.gz RSGLTLOMKVGEHV-UHFFFAOYSA-N 0 0 338.411 3.565 50 30 EHEARN CC(C)c1cccc2c1OC/C(=C\c1ccc3c(c1)NC(=O)CO3)C2=O ZINC000195307300 1042086517 /nfs/dbraw/zinc/08/65/17/1042086517.db2.gz CCKRJTPDEQXQOU-RIYZIHGNSA-N 0 0 349.386 3.800 50 30 EHEARN COc1cc(/C=C\C(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000033633329 1122919195 /nfs/dbraw/zinc/91/91/95/1122919195.db2.gz GTKMDDKQAYPVPZ-UITAMQMPSA-N 0 0 344.317 3.820 50 30 EHEARN COC(=O)CN(Cc1c(C#N)oc2ccccc21)c1ccc(C)cc1 ZINC000001806947 1135228801 /nfs/dbraw/zinc/22/88/01/1135228801.db2.gz VSPGNTORCBYUKM-UHFFFAOYSA-N 0 0 334.375 3.793 50 30 EHEARN C#CCCC1(CCC(=O)N2CC(Cc3ccccc3Cl)C2)N=N1 ZINC000952879154 1137483225 /nfs/dbraw/zinc/48/32/25/1137483225.db2.gz AMDWVVMAFVQAIF-UHFFFAOYSA-N 0 0 329.831 3.697 50 30 EHEARN CN(C)[P@](=O)(C(=Nc1ccccc1)N1CCCC1)N1CCCC1 ZINC000886013269 1138032135 /nfs/dbraw/zinc/03/21/35/1138032135.db2.gz FHCNACFDJKNIJX-HSZRJFAPSA-N 0 0 334.404 3.620 50 30 EHEARN CN(C)c1ccc(C=CC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000051034117 214075146 /nfs/dbraw/zinc/07/51/46/214075146.db2.gz AMQKCXJAFJMMJT-HMWXGYMHSA-N 0 0 330.391 3.519 50 30 EHEARN CCC(C#CCN1CCCC[C@@H]1c1cccnc1)(CC)OC(C)=O ZINC000055246626 214295156 /nfs/dbraw/zinc/29/51/56/214295156.db2.gz BRAPCPOGOWCNNC-LJQANCHMSA-N 0 0 328.456 3.734 50 30 biogenic EHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2c(Cl)nc3sccn32)cc1 ZINC000098056017 219075501 /nfs/dbraw/zinc/07/55/01/219075501.db2.gz NVFYQKFUSMHNRU-DAXSKMNVSA-N 0 0 345.811 3.904 50 30 EHEARN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000059270416 214616179 /nfs/dbraw/zinc/61/61/79/214616179.db2.gz BORKTGIQTCLHCP-UXBLZVDNSA-N 0 0 343.386 3.653 50 30 EHEARN Cc1cc2c(cc1C)C(=C1C(=O)CC(C)(C)CC1=O)NC(C)(C)C2 ZINC000100053015 219089953 /nfs/dbraw/zinc/08/99/53/219089953.db2.gz QAUCLGSNHXQMAY-UHFFFAOYSA-N 0 0 325.452 3.897 50 30 EHEARN CCn1ncc(/C=C2\CCC/C(=C\c3cnn(CC)c3C)C2=O)c1C ZINC000004501429 210205240 /nfs/dbraw/zinc/20/52/40/210205240.db2.gz MTFAEOVMSIWPAS-OTYYAQKOSA-N 0 0 338.455 3.956 50 30 EHEARN C=CCc1c(C)[nH]c2cc(-c3ccc(Br)cc3)nn2c1=O ZINC000100573724 219102268 /nfs/dbraw/zinc/10/22/68/219102268.db2.gz FVWROHPPPAXGJI-UHFFFAOYSA-N 0 0 344.212 3.901 50 30 EHEARN O=C1N/C(=N\N=C/c2ccc(Cl)cc2)S/C1=C/c1ccccc1 ZINC000004405522 210188700 /nfs/dbraw/zinc/18/87/00/210188700.db2.gz GJARENSYWMQYCO-LGDLHNLVSA-N 0 0 341.823 3.934 50 30 EHEARN C(=N/c1nccc(-c2cccs2)n1)\N1CCN(c2ccccc2)CC1 ZINC000100914936 219110707 /nfs/dbraw/zinc/11/07/07/219110707.db2.gz VNKRTAWEEGVYHJ-RCCKNPSSSA-N 0 0 349.463 3.687 50 30 EHEARN CO/N=C(/C)c1ccc(NC(C)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000100937171 219111581 /nfs/dbraw/zinc/11/15/81/219111581.db2.gz YSZMFKZQRYQCAB-UUYOSTAYSA-N 0 0 334.375 3.822 50 30 EHEARN OCC/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000101029258 219114265 /nfs/dbraw/zinc/11/42/65/219114265.db2.gz IMXLBELSDHPQNK-UDWIEESQSA-N 0 0 325.799 3.604 50 30 EHEARN CC(C)(O)C#Cc1ccc(CN=Nc2cccc(C(F)(F)F)n2)cc1 ZINC000004347609 210176738 /nfs/dbraw/zinc/17/67/38/210176738.db2.gz DUACSPFWOLKIPW-WSDLNYQXSA-N 0 0 347.340 3.669 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(O)cc2C)cc(OC)c1OC ZINC000004252611 210153649 /nfs/dbraw/zinc/15/36/49/210153649.db2.gz FMIPBTOQJZBODT-VMPITWQZSA-N 0 0 328.364 3.623 50 30 EHEARN COC(=O)c1oc2cc(C#N)c(C#N)cc2c1C(=O)c1ccc(C)cc1 ZINC000066089283 215009087 /nfs/dbraw/zinc/00/90/87/215009087.db2.gz VIGPFDPYRANYIN-UHFFFAOYSA-N 0 0 344.326 3.502 50 30 EHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000003901731 210089366 /nfs/dbraw/zinc/08/93/66/210089366.db2.gz PAYKXQQTEKNZPT-IBGZPJMESA-N 0 0 337.419 3.692 50 30 EHEARN C[C@H](C#N)Sc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003469554 210048333 /nfs/dbraw/zinc/04/83/33/210048333.db2.gz SQZDHNBGJHEQID-LLVKDONJSA-N 0 0 325.368 3.529 50 30 EHEARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000003387494 210025249 /nfs/dbraw/zinc/02/52/49/210025249.db2.gz XXJQAYSUFKFBFD-NSHDSACASA-N 0 0 330.771 3.626 50 30 EHEARN C[C@H](c1cccs1)N(C)C(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000067473164 215151092 /nfs/dbraw/zinc/15/10/92/215151092.db2.gz YJNUYOJEQVDZTB-CQSZACIVSA-N 0 0 327.449 3.704 50 30 EHEARN Cc1c(C#N)c2ccccc2n1Cc1n[nH]c(Cc2ccccc2)n1 ZINC000067491045 215154438 /nfs/dbraw/zinc/15/44/38/215154438.db2.gz VLUNLLIGVSRTPR-UHFFFAOYSA-N 0 0 327.391 3.579 50 30 EHEARN C=CCc1cc(-c2cc(-c3cccnc3)nc(N)c2C#N)ccc1O ZINC000067562645 215163489 /nfs/dbraw/zinc/16/34/89/215163489.db2.gz ILFIOLWIWGGFPY-UHFFFAOYSA-N 0 0 328.375 3.699 50 30 EHEARN OCC#Cc1ccc(-c2nccn2CCc2c[nH]c3ccccc23)s1 ZINC000067868659 215234621 /nfs/dbraw/zinc/23/46/21/215234621.db2.gz DRVWMEHTWJLJGG-UHFFFAOYSA-N 0 0 347.443 3.679 50 30 EHEARN N#Cc1cccnc1N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067935254 215254868 /nfs/dbraw/zinc/25/48/68/215254868.db2.gz LZMLMOWNQGGSLQ-UHFFFAOYSA-N 0 0 329.407 3.727 50 30 EHEARN Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1C ZINC000103504446 219309009 /nfs/dbraw/zinc/30/90/09/219309009.db2.gz GLLPOUNQDZWMRO-AWEZNQCLSA-N 0 0 326.783 3.918 50 30 EHEARN CCc1ccc(OC(=O)CCCOc2ccc(C#N)cc2OC)cc1 ZINC000040128784 213269423 /nfs/dbraw/zinc/26/94/23/213269423.db2.gz JEJPPPRLPSZMTF-UHFFFAOYSA-N 0 0 339.391 3.894 50 30 EHEARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 ZINC000040071277 213257541 /nfs/dbraw/zinc/25/75/41/213257541.db2.gz MRAJAQICNUIZLT-UHFFFAOYSA-N 0 0 346.352 3.899 50 30 EHEARN N#Cc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 ZINC000036393113 213096176 /nfs/dbraw/zinc/09/61/76/213096176.db2.gz FARSQCXVSBJWTN-UHFFFAOYSA-N 0 0 329.359 3.676 50 30 EHEARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(C#N)cc2)cc1 ZINC000036354421 213087482 /nfs/dbraw/zinc/08/74/82/213087482.db2.gz WDEOORVIVKFLIW-QGZVFWFLSA-N 0 0 344.374 3.876 50 30 EHEARN C=C(C)COc1cccc(C(=O)N2CCC3(CCOCC3)CC2)c1 ZINC000071403970 215769118 /nfs/dbraw/zinc/76/91/18/215769118.db2.gz GBAKHWHVZVBIIR-UHFFFAOYSA-N 0 0 329.440 3.674 50 30 EHEARN C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000033314144 212922248 /nfs/dbraw/zinc/92/22/48/212922248.db2.gz AKQYVLRLHYSPRV-LTGZKZEYSA-N 0 0 327.859 3.882 50 30 EHEARN N#Cc1c(NC(=O)CNc2cc(F)ccc2F)sc2c1CCCC2 ZINC000072314824 216149305 /nfs/dbraw/zinc/14/93/05/216149305.db2.gz SMBVBEZIOXFRRU-UHFFFAOYSA-N 0 0 347.390 3.827 50 30 EHEARN Cc1cc2nc(C)cc(N3CCC(c4cccc(C#N)c4)CC3)n2n1 ZINC000072408496 216199069 /nfs/dbraw/zinc/19/90/69/216199069.db2.gz DACZZUBZSXIPON-UHFFFAOYSA-N 0 0 331.423 3.602 50 30 EHEARN Cc1nc2cccc(C(=O)O/N=C3\C=C(C(C)C)C(=O)C=C3C)c2o1 ZINC000000108439 209425698 /nfs/dbraw/zinc/42/56/98/209425698.db2.gz KBLKVWYIYNRRIW-LTGZKZEYSA-N 0 0 338.363 3.760 50 30 EHEARN C#Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000023080991 212347036 /nfs/dbraw/zinc/34/70/36/212347036.db2.gz AXCFFBWSEVKJJE-UHFFFAOYSA-N 0 0 345.377 3.734 50 30 EHEARN CNc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] ZINC000022756592 212320912 /nfs/dbraw/zinc/32/09/12/212320912.db2.gz RKKPXAYGDMAIGO-XYOKQWHBSA-N 0 0 342.326 3.824 50 30 EHEARN C=CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000022204670 212282672 /nfs/dbraw/zinc/28/26/72/212282672.db2.gz MPWVFTYGLDYHJM-OLZOCXBDSA-N 0 0 342.420 3.546 50 30 EHEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc(O)cc2)CC(=O)O3)C1=O ZINC000217875034 241281082 /nfs/dbraw/zinc/28/10/82/241281082.db2.gz KYHSNHAOJPVMHN-AWEZNQCLSA-N 0 0 336.343 3.702 50 30 biogenic EHEARN CCCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2 ZINC000020443764 212128611 /nfs/dbraw/zinc/12/86/11/212128611.db2.gz HQXKEYSITRFAGY-UHFFFAOYSA-N 0 0 325.412 3.962 50 30 EHEARN C=CCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000020427659 212128319 /nfs/dbraw/zinc/12/83/19/212128319.db2.gz FHRHAOJKLCYELR-UHFFFAOYSA-N 0 0 339.391 3.699 50 30 EHEARN C/C(=N\N1CCN(Cc2ccc(C)cc2C)CC1)c1ccccc1O ZINC000019791104 212068253 /nfs/dbraw/zinc/06/82/53/212068253.db2.gz QEPZSICFJUOGJZ-RELWKKBWSA-N 0 0 337.467 3.551 50 30 EHEARN COC(=O)c1cc(CNc2ccc(C#N)c(Cl)c2)ccc1OC ZINC000078610460 217086674 /nfs/dbraw/zinc/08/66/74/217086674.db2.gz MTMOAGNSIKSOMG-UHFFFAOYSA-N 0 0 330.771 3.619 50 30 EHEARN N#Cc1cc(F)c(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000078774499 217118421 /nfs/dbraw/zinc/11/84/21/217118421.db2.gz UQSSYGZJZOXBCL-OAHLLOKOSA-N 0 0 328.318 3.907 50 30 EHEARN CC(C)N(C(=O)c1ccc(N2CCCC2)c(C#N)c1)c1cccnc1 ZINC000079357537 217215099 /nfs/dbraw/zinc/21/50/99/217215099.db2.gz NAFSBCDCDMJWKU-UHFFFAOYSA-N 0 0 334.423 3.609 50 30 EHEARN CCOc1cc2c(cc1COc1ccc(C#N)cc1OC)O[C@H](C)C2 ZINC000012740221 211441342 /nfs/dbraw/zinc/44/13/42/211441342.db2.gz ZCBJPCYAVFYIBS-CYBMUJFWSA-N 0 0 339.391 3.868 50 30 EHEARN N#Cc1ccc(Sc2nnc(NCCc3cccs3)s2)nc1 ZINC000012526709 211399535 /nfs/dbraw/zinc/39/95/35/211399535.db2.gz RAWLXLWMNXSKID-UHFFFAOYSA-N 0 0 345.478 3.672 50 30 EHEARN N#Cc1ccc(-c2ccco2)nc1SCC(=O)NC1CCCCC1 ZINC000012250997 211330523 /nfs/dbraw/zinc/33/05/23/211330523.db2.gz CULGRTGVUJUHMJ-UHFFFAOYSA-N 0 0 341.436 3.754 50 30 EHEARN C=CCC1(CC=C)CCCN1C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012055516 211284423 /nfs/dbraw/zinc/28/44/23/211284423.db2.gz RLODQOOJGGBVAV-KRWDZBQOSA-N 0 0 344.499 3.681 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000011177800 211206963 /nfs/dbraw/zinc/20/69/63/211206963.db2.gz OGXLRQFXQHCAHQ-UHFFFAOYSA-N 0 0 331.331 3.656 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000010267081 211159148 /nfs/dbraw/zinc/15/91/48/211159148.db2.gz SBNDGPBUIVOQIN-GJZGRUSLSA-N 0 0 339.464 3.928 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CC3CCC3)C2)cc1 ZINC000095353204 218287232 /nfs/dbraw/zinc/28/72/32/218287232.db2.gz DBJAEHPCYJJWPI-IBGZPJMESA-N 0 0 348.450 3.575 50 30 EHEARN Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)c1cccc(Cl)c1 ZINC000095438944 218382185 /nfs/dbraw/zinc/38/21/85/218382185.db2.gz XAYVKMDMEICQJY-QGZVFWFLSA-N 0 0 338.798 3.512 50 30 EHEARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(C#N)cn1 ZINC000095440397 218384847 /nfs/dbraw/zinc/38/48/47/218384847.db2.gz BJEPACICNQOWJV-LBPRGKRZSA-N 0 0 328.441 3.675 50 30 EHEARN CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccc(C#N)c1 ZINC000007427863 210799606 /nfs/dbraw/zinc/79/96/06/210799606.db2.gz ASZMVYKPRDSFFS-UHFFFAOYSA-N 0 0 349.342 3.838 50 30 EHEARN C=CCn1c(C)cc(C(=O)Cn2c3ccccc3nc2[C@H](C)O)c1C ZINC000006908721 210740876 /nfs/dbraw/zinc/74/08/76/210740876.db2.gz WYSMSDUKWLVLFR-HNNXBMFYSA-N 0 0 337.423 3.577 50 30 EHEARN C=CCN1C(=S)N=NC1[C@@H](C)Oc1ccc(Br)cc1 ZINC000006525425 210645945 /nfs/dbraw/zinc/64/59/45/210645945.db2.gz LDTDRVGVKBWRPS-SECBINFHSA-N 0 0 340.246 3.655 50 30 EHEARN COc1ccc(O)c([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)c1 ZINC000096406527 218757702 /nfs/dbraw/zinc/75/77/02/218757702.db2.gz PFRXKDVMEAFBBZ-SECBINFHSA-N 0 0 337.301 3.859 50 30 EHEARN C[C@H]1Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N/O)C1 ZINC000005696811 210519013 /nfs/dbraw/zinc/51/90/13/210519013.db2.gz XTVNPIPUPOMIEI-GVRKSUINSA-N 0 0 332.201 3.667 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)c1 ZINC000005612599 210500977 /nfs/dbraw/zinc/50/09/77/210500977.db2.gz MUCKQDQOSAOZDV-SFHVURJKSA-N 0 0 339.435 3.772 50 30 EHEARN Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c(C)c1 ZINC000005020195 210363498 /nfs/dbraw/zinc/36/34/98/210363498.db2.gz BQNILMRAMMYEAS-UHFFFAOYSA-N 0 0 341.392 3.814 50 30 EHEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C\c1ccccc1 ZINC000005009800 210360031 /nfs/dbraw/zinc/36/00/31/210360031.db2.gz UAUVPRONXAAGKY-NPXYDADFSA-N 0 0 349.459 3.749 50 30 EHEARN COc1ccc(N2CCCC2)c(NC(=O)c2ccc(C#N)cc2F)c1 ZINC000004998668 210354339 /nfs/dbraw/zinc/35/43/39/210354339.db2.gz QANUUPJVKQQOKK-UHFFFAOYSA-N 0 0 339.370 3.558 50 30 EHEARN O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004916074 210323056 /nfs/dbraw/zinc/32/30/56/210323056.db2.gz JQUPOGNEFQBMFQ-JSGCOSHPSA-N 0 0 341.407 3.892 50 30 EHEARN O=C(/C=C\c1ccccc1OC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647661 257838626 /nfs/dbraw/zinc/83/86/26/257838626.db2.gz HQPCSDXLEZHUPH-VURMDHGXSA-N 0 0 348.280 3.651 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1C#N ZINC000152597243 257956522 /nfs/dbraw/zinc/95/65/22/257956522.db2.gz DGNJYRGBZOYOLG-UHFFFAOYSA-N 0 0 340.342 3.870 50 30 EHEARN C=C(C)CNC(=O)COC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000328600530 258042055 /nfs/dbraw/zinc/04/20/55/258042055.db2.gz YIWPTLNFJUFICY-UHFFFAOYSA-N 0 0 326.437 3.576 50 30 EHEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccncc1 ZINC000006731388 258044232 /nfs/dbraw/zinc/04/42/32/258044232.db2.gz UKZCFOJINXKQDB-UHFFFAOYSA-N 0 0 326.400 3.958 50 30 EHEARN C=CCN(C[C@H]1CC(c2ccc(C)cc2)=NO1)C(=O)c1cccs1 ZINC000006764840 258044442 /nfs/dbraw/zinc/04/44/42/258044442.db2.gz WEWWGZAWXRJNMF-MRXNPFEDSA-N 0 0 340.448 3.878 50 30 EHEARN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000330033305 258002570 /nfs/dbraw/zinc/00/25/70/258002570.db2.gz YXTLEDIVUNNCBL-IYBDPMFKSA-N 0 0 339.439 3.636 50 30 EHEARN CCNC(=O)c1cccc(CNc2ncccc2Br)c1 ZINC000330031508 258003054 /nfs/dbraw/zinc/00/30/54/258003054.db2.gz AAQYFUGIVABTRE-UHFFFAOYSA-N 0 0 334.217 3.781 50 30 EHEARN C=CCn1c(C)nnc1S[C@H](CC)C(=O)c1ccc(OC)cc1 ZINC000065487518 258011666 /nfs/dbraw/zinc/01/16/66/258011666.db2.gz GVBWBHOEVZUZOU-OAHLLOKOSA-N 0 0 331.441 3.535 50 30 EHEARN C=CCNc1nc(C(=O)OCC(=O)c2ccc(C(C)C)cc2)cs1 ZINC000010136410 258017681 /nfs/dbraw/zinc/01/76/81/258017681.db2.gz NDDYGCHEYJBUMB-UHFFFAOYSA-N 0 0 344.436 3.904 50 30 EHEARN C=C(C)CN(C)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012027835 258018127 /nfs/dbraw/zinc/01/81/27/258018127.db2.gz LSTFBNMPEUOKJW-GOSISDBHSA-N 0 0 337.419 3.972 50 30 EHEARN C#CCOc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1 ZINC000002998829 258050340 /nfs/dbraw/zinc/05/03/40/258050340.db2.gz UFMCXVQLOUFSSV-UHFFFAOYSA-N 0 0 348.398 3.827 50 30 EHEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)cc1 ZINC000019923553 258057126 /nfs/dbraw/zinc/05/71/26/258057126.db2.gz KVXMBXATICMDEQ-KDOFPFPSSA-N 0 0 345.439 3.893 50 30 EHEARN Cc1cc2cc(NC(=O)N(CCC#N)Cc3ccccn3)ccc2[nH]1 ZINC000095416105 258066872 /nfs/dbraw/zinc/06/68/72/258066872.db2.gz RMCYLFCESKEJKU-UHFFFAOYSA-N 0 0 333.395 3.819 50 30 EHEARN O=C(/C=C\c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000033466940 135598198 /nfs/dbraw/zinc/59/81/98/135598198.db2.gz ALWUGJGCADVWRX-HJWRWDBZSA-N 0 0 329.346 3.698 50 30 EHEARN CC(=NNc1nnc(SCc2ccccc2C)[nH]1)c1ccncc1 ZINC000020608378 518455276 /nfs/dbraw/zinc/45/52/76/518455276.db2.gz DRUIOKGRQCNYHQ-MOSHPQCFSA-N 0 0 338.440 3.637 50 30 EHEARN C=C(C)CN(CC)C(=O)c1cc(COc2c(C)cccc2C)on1 ZINC000012574257 518598023 /nfs/dbraw/zinc/59/80/23/518598023.db2.gz BQVZBGFTDBMOHD-UHFFFAOYSA-N 0 0 328.412 3.909 50 30 EHEARN C=CCOc1ccc(CN=Nc2nncc(-c3ccccc3)n2)cc1 ZINC000004476789 519017208 /nfs/dbraw/zinc/01/72/08/519017208.db2.gz IBKTXGJCMLFGLK-DEDYPNTBSA-N 0 0 331.379 3.549 50 30 EHEARN C=CCc1ccc(OCCOc2ccc(C(=O)OC)cc2)c(OC)c1 ZINC000002984007 519136983 /nfs/dbraw/zinc/13/69/83/519136983.db2.gz NNALYNPSZRIJJZ-UHFFFAOYSA-N 0 0 342.391 3.668 50 30 EHEARN CCCCCCCCCC#CCOC(=O)C1CCN(C(C)=O)CC1 ZINC000097977101 519975476 /nfs/dbraw/zinc/97/54/76/519975476.db2.gz BZKSBOLAFNSCHJ-UHFFFAOYSA-N 0 0 335.488 3.932 50 30 EHEARN CCCCCCCCCNC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000098001690 520027773 /nfs/dbraw/zinc/02/77/73/520027773.db2.gz YKSVBGOTBJYNQH-UHFFFAOYSA-N 0 0 333.476 3.558 50 30 EHEARN CCOC(=NC(=O)c1cccc(OC)c1)N[C@@H](C)c1ccccc1 ZINC000005095804 520389359 /nfs/dbraw/zinc/38/93/59/520389359.db2.gz ANUMPHVHTUGLOB-AWEZNQCLSA-N 0 0 326.396 3.579 50 30 EHEARN Cc1ccc(NC=CC(=O)c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000004052828 524915369 /nfs/dbraw/zinc/91/53/69/524915369.db2.gz VYEJTRLKPAIQAL-VAWYXSNFSA-N 0 0 335.451 3.555 50 30 EHEARN N#CCCCSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000006994703 526447637 /nfs/dbraw/zinc/44/76/37/526447637.db2.gz KDMDIMOIWXMZGN-UHFFFAOYSA-N 0 0 347.875 3.917 50 30 EHEARN NC(=S)C(=NNc1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000003764841 527106841 /nfs/dbraw/zinc/10/68/41/527106841.db2.gz PFSKRFSXHXOPGE-UHFFFAOYSA-N 0 0 338.358 3.638 50 30 EHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@H](c1ccco1)CC(=O)O3 ZINC000253404762 527126365 /nfs/dbraw/zinc/12/63/65/527126365.db2.gz HYKFZEBENMQFOP-LWLPBDFMSA-N 0 0 348.310 3.930 50 30 biogenic EHEARN O=C(/C=C/c1ccncc1)c1cccc(C(=O)/C=C/c2ccncc2)n1 ZINC000025692379 527643955 /nfs/dbraw/zinc/64/39/55/527643955.db2.gz HGLOEZLYCREKNY-YDFGWWAZSA-N 0 0 341.370 3.664 50 30 EHEARN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OCC)c1O ZINC000000076080 563216884 /nfs/dbraw/zinc/21/68/84/563216884.db2.gz AULKPJXJCPIYHK-UHFFFAOYSA-N 0 0 334.371 3.982 50 30 EHEARN Cc1sc2nc(C)n(/N=C/c3ccc(Cl)cc3)c(=O)c2c1C ZINC000000130589 563238330 /nfs/dbraw/zinc/23/83/30/563238330.db2.gz TXIICPMAKMBNTI-QGMBQPNBSA-N 0 0 331.828 3.919 50 30 EHEARN Cc1onc(-c2ccccc2Cl)c1C(=O)ONC1=NCCCC1 ZINC000000137969 563241196 /nfs/dbraw/zinc/24/11/96/563241196.db2.gz DCSXCWWGRYEXER-UHFFFAOYSA-N 0 0 333.775 3.547 50 30 EHEARN CC(C)(C)N(OC(=O)c1ccccc1)C(=O)C(Cl)(Cl)Cl ZINC000000140409 563241890 /nfs/dbraw/zinc/24/18/90/563241890.db2.gz RBRUQNBBFXSOSB-UHFFFAOYSA-N 0 0 338.618 3.756 50 30 EHEARN O=C1c2ccccc2C(=O)C1=Cc1cc(Br)ccc1O ZINC000000208110 563260056 /nfs/dbraw/zinc/26/00/56/563260056.db2.gz GVHRXQZYTMSTMZ-UHFFFAOYSA-N 0 0 329.149 3.617 50 30 EHEARN CCOC(=O)C1=C(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000000298513 563275282 /nfs/dbraw/zinc/27/52/82/563275282.db2.gz LIYHIIGOIXAJRU-UHFFFAOYSA-N 0 0 340.762 3.736 50 30 EHEARN CCOc1ccc(C(=O)[C@@H](C)Sc2nc3c([nH]2)C(=O)C=C3C)cc1 ZINC000000407732 563307322 /nfs/dbraw/zinc/30/73/22/563307322.db2.gz NPRSUWNDOVOVBW-LLVKDONJSA-N 0 0 342.420 3.772 50 30 EHEARN N#CCc1ccc(NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000000555043 563345510 /nfs/dbraw/zinc/34/55/10/563345510.db2.gz JSJPUHNHKAEHBR-UHFFFAOYSA-N 0 0 341.370 3.505 50 30 EHEARN COc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001246831 563381283 /nfs/dbraw/zinc/38/12/83/563381283.db2.gz CNOMBBJEFLXTLM-VCHYOVAHSA-N 0 0 344.827 3.778 50 30 EHEARN Cc1ccc([C@H](NC(=O)N2CCC(C#N)CC2)c2cccnc2)c(C)c1 ZINC000584902541 563417612 /nfs/dbraw/zinc/41/76/12/563417612.db2.gz OYMUKJXZXOUJKF-HXUWFJFHSA-N 0 0 348.450 3.733 50 30 EHEARN O=C(C1=C(N2CCOCC2)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000003128994 563473486 /nfs/dbraw/zinc/47/34/86/563473486.db2.gz BARHLGFDFBHMKZ-UHFFFAOYSA-N 0 0 339.822 3.822 50 30 EHEARN O=S(=O)(OCc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000003252754 563478150 /nfs/dbraw/zinc/47/81/50/563478150.db2.gz MVATZGWBWNKBRE-UHFFFAOYSA-N 0 0 339.825 3.855 50 30 EHEARN CC(=O)[C@]12O[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004731209 563509262 /nfs/dbraw/zinc/50/92/62/563509262.db2.gz UQVIXFCYKBWZPJ-AXSQLCHVSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN O=C1C[C@@H](c2ccccc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006819468 563587489 /nfs/dbraw/zinc/58/74/89/563587489.db2.gz BTNZQCZAXJRXJY-RDJZCZTQSA-N 0 0 335.378 3.830 50 30 EHEARN N#Cc1cc(NCc2ccco2)cc(NCc2ccco2)c1[N+](=O)[O-] ZINC000071913830 563601292 /nfs/dbraw/zinc/60/12/92/563601292.db2.gz ZVLVLXBFSFUEGP-UHFFFAOYSA-N 0 0 338.323 3.877 50 30 EHEARN N#Cc1ccc(C(F)(F)F)c(NCc2nnc(C3CC3)n2C2CC2)c1 ZINC000127076342 563647669 /nfs/dbraw/zinc/64/76/69/563647669.db2.gz BECFQPLESAVRGN-UHFFFAOYSA-N 0 0 347.344 3.993 50 30 EHEARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000032754455 563728044 /nfs/dbraw/zinc/72/80/44/563728044.db2.gz AKHVIVDQHQCOFB-CQSZACIVSA-N 0 0 333.391 3.936 50 30 EHEARN CCOc1ccc2[nH]c(=NC=C3C(=O)CC(C)(C)CC3=O)sc2c1 ZINC000013999587 563735006 /nfs/dbraw/zinc/73/50/06/563735006.db2.gz IBDISWASUQHNRS-UHFFFAOYSA-N 0 0 344.436 3.949 50 30 EHEARN Cn1c(SCCC#N)nc2scc(-c3cccs3)c2c1=O ZINC000014092837 563739242 /nfs/dbraw/zinc/73/92/42/563739242.db2.gz RHABNSIKHKVUFD-UHFFFAOYSA-N 0 0 333.463 3.729 50 30 EHEARN O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc2n[nH]nc2c1 ZINC000032907508 563799388 /nfs/dbraw/zinc/79/93/88/563799388.db2.gz MAMYRGBMRPNABW-UHFFFAOYSA-N 0 0 344.399 3.672 50 30 EHEARN Cc1cc(C(F)(F)F)nc(NC(=N)Nc2cccc(Cl)c2C)n1 ZINC000017195243 563839838 /nfs/dbraw/zinc/83/98/38/563839838.db2.gz ZKCCLKXKDJFFKG-UHFFFAOYSA-N 0 0 343.740 3.824 50 30 EHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000017532628 563844730 /nfs/dbraw/zinc/84/47/30/563844730.db2.gz SDOXQIJVULDNJQ-QGZVFWFLSA-N 0 0 331.437 3.669 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(C(F)(F)F)cn1 ZINC000025749949 563887658 /nfs/dbraw/zinc/88/76/58/563887658.db2.gz COYLWDYQFIFPRD-YGRLFVJLSA-N 0 0 345.390 3.635 50 30 EHEARN NC(=S)N/N=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000028616365 563903506 /nfs/dbraw/zinc/90/35/06/563903506.db2.gz UWPAOOMTARMHSV-MTJSOVHGSA-N 0 0 335.432 3.586 50 30 EHEARN Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCc3c[nH]c4ccccc34)nc21 ZINC000072296120 563912202 /nfs/dbraw/zinc/91/22/02/563912202.db2.gz VITHOTQJSBGMSM-OAHLLOKOSA-N 0 0 343.390 3.557 50 30 EHEARN CC(C)(C(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(C#N)c1 ZINC000072298611 563912444 /nfs/dbraw/zinc/91/24/44/563912444.db2.gz FBAXFTRMNNPMFR-HNNXBMFYSA-N 0 0 339.464 3.699 50 30 EHEARN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000046241548 563916389 /nfs/dbraw/zinc/91/63/89/563916389.db2.gz CNEXNSATWHQFHK-LLVKDONJSA-N 0 0 334.297 3.948 50 30 EHEARN C[C@@H](c1ccc(Cl)cc1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000058216130 563940057 /nfs/dbraw/zinc/94/00/57/563940057.db2.gz GBMJIHBGVMOHBM-DJJJIMSYSA-N 0 0 345.874 3.674 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)CCCOc1ccccc1F ZINC000058367311 563944000 /nfs/dbraw/zinc/94/40/00/563944000.db2.gz KQLJYHZPSUZNHN-UHFFFAOYSA-N 0 0 330.359 3.520 50 30 EHEARN O=C1c2ccccc2[C@@](O)(C#Cc2ccccc2)N1c1ccccc1 ZINC000003128699 563949032 /nfs/dbraw/zinc/94/90/32/563949032.db2.gz ZOYBFRXHSUYDHK-QFIPXVFZSA-N 0 0 325.367 3.544 50 30 EHEARN COCCC1(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CCCC1 ZINC000096473478 563954732 /nfs/dbraw/zinc/95/47/32/563954732.db2.gz ZSCQOPWUSAIKNS-HNNXBMFYSA-N 0 0 329.444 3.515 50 30 EHEARN CC(=O)c1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cs1 ZINC000096162380 563979873 /nfs/dbraw/zinc/97/98/73/563979873.db2.gz SIGOSCKHULBXGJ-UHFFFAOYSA-N 0 0 338.432 3.648 50 30 EHEARN Cc1ccc(S(=O)(=O)NN=C2CCC(c3ccccc3)CC2)cc1 ZINC000006277253 563981549 /nfs/dbraw/zinc/98/15/49/563981549.db2.gz CMUNSCUDCOPBQX-UHFFFAOYSA-N 0 0 342.464 3.987 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CCC[C@@H]2c1ccccc1 ZINC000071749657 563983008 /nfs/dbraw/zinc/98/30/08/563983008.db2.gz IMGDZIQSFKPADO-OAHLLOKOSA-N 0 0 345.402 3.756 50 30 EHEARN CC(C)[C@@H]1C[C@@H](CC(=O)NCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000328593335 563984274 /nfs/dbraw/zinc/98/42/74/563984274.db2.gz YSQHQGPHXDBQSY-BBRMVZONSA-N 0 0 336.407 3.562 50 30 EHEARN CCOC(=O)c1cccc(NC=C2C(=O)N(c3ccccc3)N=C2C)c1 ZINC000100210438 563987784 /nfs/dbraw/zinc/98/77/84/563987784.db2.gz YDIRRHRXLFUJEZ-LANLRWRYSA-N 0 0 349.390 3.605 50 30 EHEARN Cc1sc(NC(=O)c2ccnn2C)c(C#N)c1-c1ccc(C)cc1 ZINC000000372154 563991764 /nfs/dbraw/zinc/99/17/64/563991764.db2.gz ZTSYZNVCGLLLCY-UHFFFAOYSA-N 0 0 336.420 3.889 50 30 EHEARN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)sn2)cc1 ZINC000408514942 563992941 /nfs/dbraw/zinc/99/29/41/563992941.db2.gz FRAGEAQYUCZBSK-NHYWBVRUSA-N 0 0 341.436 3.926 50 30 EHEARN O=C(ON=C(c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000252626366 563997969 /nfs/dbraw/zinc/99/79/69/563997969.db2.gz RAYNBWCXEMCKJN-UHFFFAOYSA-N 0 0 347.330 3.599 50 30 EHEARN N#Cc1ccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)N3CCCN23)cc1 ZINC000005307320 564002471 /nfs/dbraw/zinc/00/24/71/564002471.db2.gz CBVCWGJAZBAFHA-KRWDZBQOSA-N 0 0 338.798 3.773 50 30 EHEARN C=CCSc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000005389409 564003464 /nfs/dbraw/zinc/00/34/64/564003464.db2.gz WRNIHFUJBBVXAF-UHFFFAOYSA-N 0 0 327.405 3.988 50 30 EHEARN CCOC(=O)C(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(C)=O ZINC000101514922 564019468 /nfs/dbraw/zinc/01/94/68/564019468.db2.gz QFVJHVYZBCNUPA-YFHOEESVSA-N 0 0 335.709 3.807 50 30 EHEARN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cncc3ccccc32)c1 ZINC000102099321 564019845 /nfs/dbraw/zinc/01/98/45/564019845.db2.gz QSOLSOXHAGZZSC-QGZVFWFLSA-N 0 0 329.359 3.504 50 30 EHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1cccc(Cl)c1 ZINC000103503882 564022608 /nfs/dbraw/zinc/02/26/08/564022608.db2.gz ZFEKENXNQFRTQQ-SCOAYWHSSA-N 0 0 330.815 3.511 50 30 EHEARN CCOC(=O)[C@H](C)Sc1nc(C2CC2)cc(C(F)(F)F)c1C#N ZINC000000544064 564022642 /nfs/dbraw/zinc/02/26/42/564022642.db2.gz NEVSEDPBPVSJSH-QMMMGPOBSA-N 0 0 344.358 3.893 50 30 EHEARN COc1cc(/C=C/C(=O)Oc2ccc(Cl)cc2)ccc1OCC#N ZINC000014465633 564023570 /nfs/dbraw/zinc/02/35/70/564023570.db2.gz WNQQELKKKORJHB-YCRREMRBSA-N 0 0 343.766 3.870 50 30 EHEARN COc1cc2c(cc1OC)C(=CC(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)NCC2 ZINC000105354865 564025098 /nfs/dbraw/zinc/02/50/98/564025098.db2.gz ZGZYNBLFEFDTIJ-JOZOVSNCSA-N 0 0 341.451 3.586 50 30 biogenic EHEARN N#Cc1c(COC(=O)c2cnc(Cl)c(Cl)c2)cn2ccccc12 ZINC000014858161 564025229 /nfs/dbraw/zinc/02/52/29/564025229.db2.gz QEDNMSODOQCSIR-UHFFFAOYSA-N 0 0 346.173 3.870 50 30 EHEARN CN(Cc1cc(Br)cs1)C(=O)c1ccc(C#N)cc1 ZINC000048069433 564029875 /nfs/dbraw/zinc/02/98/75/564029875.db2.gz JPBKGLOADPRIMS-UHFFFAOYSA-N 0 0 335.226 3.654 50 30 EHEARN C[C@H](SCc1ccccc1)C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000048286614 564030678 /nfs/dbraw/zinc/03/06/78/564030678.db2.gz PVMMGSNEMTWHNR-QMMMGPOBSA-N 0 0 330.335 3.733 50 30 EHEARN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccon2)cc1 ZINC000128749686 564034397 /nfs/dbraw/zinc/03/43/97/564034397.db2.gz ZVBLQMFOUOBVSU-UHFFFAOYSA-N 0 0 335.338 3.528 50 30 EHEARN Cc1ccc(N2C(=O)C[C@@H](c3cccnc3)C3=C2CCCC3=O)cc1 ZINC000001079537 564054354 /nfs/dbraw/zinc/05/43/54/564054354.db2.gz YBUZHGUOKJOXHS-KRWDZBQOSA-N 0 0 332.403 3.918 50 30 EHEARN CCC(CC)C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N ZINC000005917495 564056973 /nfs/dbraw/zinc/05/69/73/564056973.db2.gz GXHONAMTDIIVHJ-UHFFFAOYSA-N 0 0 335.473 3.785 50 30 EHEARN Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000012754172 564067169 /nfs/dbraw/zinc/06/71/69/564067169.db2.gz RMMQLKSOCCGYNZ-UHFFFAOYSA-N 0 0 327.771 3.753 50 30 EHEARN CC(C)(C(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000012810358 564072811 /nfs/dbraw/zinc/07/28/11/564072811.db2.gz BKFVPFYEGQLLNK-UHFFFAOYSA-N 0 0 338.476 3.885 50 30 EHEARN C=C(C)C[C@@H](C)C(=O)Nc1ccc(I)c(C)n1 ZINC000185984434 564075161 /nfs/dbraw/zinc/07/51/61/564075161.db2.gz KJDOUXYGANDDAG-SECBINFHSA-N 0 0 344.196 3.535 50 30 EHEARN COc1ccc(O)c(-c2csc(N=NC(C)c3ccncc3)n2)c1 ZINC000043761412 564076249 /nfs/dbraw/zinc/07/62/49/564076249.db2.gz NSVRXRDXOLJOFH-RGVLZGJSSA-N 0 0 340.408 3.755 50 30 EHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000012948613 564079805 /nfs/dbraw/zinc/07/98/05/564079805.db2.gz JQHVLUFDUCUSPX-UHFFFAOYSA-N 0 0 345.354 3.718 50 30 EHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)o1 ZINC000075286221 564081562 /nfs/dbraw/zinc/08/15/62/564081562.db2.gz HEJUPPBCDKEPJU-SFHVURJKSA-N 0 0 329.396 3.509 50 30 EHEARN C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1 ZINC000265528328 564081776 /nfs/dbraw/zinc/08/17/76/564081776.db2.gz GAMBJVPAPSGRFO-CQSZACIVSA-N 0 0 340.448 3.793 50 30 EHEARN CCCCCCCCc1nc2sc3c(c2c(=O)n1N)CCCC3 ZINC000001763843 564087393 /nfs/dbraw/zinc/08/73/93/564087393.db2.gz NTBGJQIEAZGOEW-UHFFFAOYSA-N 0 0 333.501 3.954 50 30 EHEARN N#Cc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000006637484 564094726 /nfs/dbraw/zinc/09/47/26/564094726.db2.gz DEDLLKBZGHRVLP-UHFFFAOYSA-N 0 0 339.738 3.619 50 30 EHEARN O=[N+]([O-])c1ccc(Cl)c(C=NNC(=S)Nc2ccccc2)c1 ZINC000013111674 564099356 /nfs/dbraw/zinc/09/93/56/564099356.db2.gz YJYDENXFSXHRRG-UHFFFAOYSA-N 0 0 334.788 3.569 50 30 EHEARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000065084362 564100844 /nfs/dbraw/zinc/10/08/44/564100844.db2.gz GDWWWPVIEPZDRI-UHFFFAOYSA-N 0 0 343.386 3.538 50 30 EHEARN Cc1ncsc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000170007176 564104619 /nfs/dbraw/zinc/10/46/19/564104619.db2.gz JDIAUCDSRSTKHF-CQSZACIVSA-N 0 0 335.388 3.566 50 30 EHEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000065331116 564105325 /nfs/dbraw/zinc/10/53/25/564105325.db2.gz XHKLQYMSLSRQCG-SFHVURJKSA-N 0 0 345.402 3.911 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000007542589 564110211 /nfs/dbraw/zinc/11/02/11/564110211.db2.gz APKOHYJXJOYEGS-AWEZNQCLSA-N 0 0 349.821 3.843 50 30 EHEARN C=CCCO[C@H](C)C(=O)OC1(c2ccccc2Br)CC1 ZINC000089598274 564112630 /nfs/dbraw/zinc/11/26/30/564112630.db2.gz COVLRYNWEKJOMS-GFCCVEGCSA-N 0 0 339.229 3.963 50 30 EHEARN O=C(NC1CCCCC1)ON=Cc1ccc(Br)cc1 ZINC000252590880 564120940 /nfs/dbraw/zinc/12/09/40/564120940.db2.gz AWONIKSGHQXZJE-UHFFFAOYSA-N 0 0 325.206 3.842 50 30 EHEARN Cc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000252596700 564121092 /nfs/dbraw/zinc/12/10/92/564121092.db2.gz CLKGIIATOGFANC-UHFFFAOYSA-N 0 0 328.379 3.570 50 30 EHEARN N#Cc1ccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000007684339 564121901 /nfs/dbraw/zinc/12/19/01/564121901.db2.gz JBVSHLJWJDHWSC-UHFFFAOYSA-N 0 0 335.388 3.699 50 30 EHEARN Cc1ccc(CN2CCN(N=Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000002221987 564124049 /nfs/dbraw/zinc/12/40/49/564124049.db2.gz NVCJPJZTMGDQSR-UHFFFAOYSA-N 0 0 325.431 3.594 50 30 EHEARN C[C@@](O)(C#CCN1CCCC[C@H]1c1cccnc1)CCc1ccccc1 ZINC000058980474 564129449 /nfs/dbraw/zinc/12/94/49/564129449.db2.gz ZWXAFZKAAAQSKI-XZOQPEGZSA-N 0 0 348.490 3.996 50 30 biogenic EHEARN N#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000253420305 564131025 /nfs/dbraw/zinc/13/10/25/564131025.db2.gz WETQVSYDHSWDAG-LLVKDONJSA-N 0 0 346.736 3.511 50 30 EHEARN Cn1c(Sc2ccc(Cl)c(C#N)n2)nnc1-c1cccs1 ZINC000301501710 564132139 /nfs/dbraw/zinc/13/21/39/564132139.db2.gz FEEOUOOVWVYHAS-UHFFFAOYSA-N 0 0 333.829 3.615 50 30 EHEARN COc1ccc2c(c1)CN(C(=O)N[C@H]1CCCc3cc(C#N)ccc31)C2 ZINC000585090991 564133986 /nfs/dbraw/zinc/13/39/86/564133986.db2.gz KKXBKZYZJMPJOV-FQEVSTJZSA-N 0 0 347.418 3.670 50 30 EHEARN Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccccc3C#N)C2)c1 ZINC000077407405 564134231 /nfs/dbraw/zinc/13/42/31/564134231.db2.gz NOWZMYXQKVKHJM-QGZVFWFLSA-N 0 0 334.419 3.798 50 30 EHEARN N#Cc1ccccc1-c1ccc(C(=O)NC2(CO)CCCCC2)cc1 ZINC000426383146 564135033 /nfs/dbraw/zinc/13/50/33/564135033.db2.gz RLVARIBKPLHMPP-UHFFFAOYSA-N 0 0 334.419 3.650 50 30 EHEARN N#Cc1ccc(F)c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012998603 564135861 /nfs/dbraw/zinc/13/58/61/564135861.db2.gz SLDRHQBKSDJXRB-SFHVURJKSA-N 0 0 338.382 3.806 50 30 EHEARN C[C@@H]1CCCN(c2cc(C(=O)NC3C[C@H](C)O[C@@H](C)C3)ccn2)C1 ZINC000328593933 564136825 /nfs/dbraw/zinc/13/68/25/564136825.db2.gz BOXQIGRGNPZXFX-ILXRZTDVSA-N 0 0 331.460 3.579 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2oc(C)nc21 ZINC000390833494 564138777 /nfs/dbraw/zinc/13/87/77/564138777.db2.gz IHKWKIRDKOKSTI-UHFFFAOYSA-N 0 0 331.375 3.836 50 30 EHEARN COc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1OC(F)F ZINC000096313982 564146711 /nfs/dbraw/zinc/14/67/11/564146711.db2.gz LOOBJWLEIVRUTR-XQRVVYSFSA-N 0 0 336.338 3.970 50 30 EHEARN Cc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc(C)c1O ZINC000096400995 564147064 /nfs/dbraw/zinc/14/70/64/564147064.db2.gz YDTFROPZNJBWMY-BAQGIRSFSA-N 0 0 337.375 3.862 50 30 EHEARN CCN(C(C)=O)c1nc(/C=C2/CCc3ccccc3C2=O)cs1 ZINC000096404379 564147230 /nfs/dbraw/zinc/14/72/30/564147230.db2.gz GVXOHPDJIBKFLK-UVTDQMKNSA-N 0 0 326.421 3.728 50 30 EHEARN CCCCCCCCNC(=O)c1sc2ncn(CC)c(=O)c2c1C ZINC000002910839 564153049 /nfs/dbraw/zinc/15/30/49/564153049.db2.gz MCZKETKTRZUISL-UHFFFAOYSA-N 0 0 349.500 3.877 50 30 EHEARN N#CC1(C(=O)N2CCC(OCc3ccccc3)CC2)CCCCC1 ZINC000057385015 564153883 /nfs/dbraw/zinc/15/38/83/564153883.db2.gz SLRVHPCUFPXJPD-UHFFFAOYSA-N 0 0 326.440 3.668 50 30 EHEARN C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C)CC2)cc1OC ZINC000058168428 564157935 /nfs/dbraw/zinc/15/79/35/564157935.db2.gz XBTBUPDGOBTREY-XAVKZTDYSA-N 0 0 329.440 3.922 50 30 EHEARN N#Cc1c(CSc2nc3sccc3c(N)n2)cn2ccccc12 ZINC000058344523 564158778 /nfs/dbraw/zinc/15/87/78/564158778.db2.gz FWAMCAUVZRDTAF-UHFFFAOYSA-N 0 0 337.433 3.690 50 30 EHEARN N#Cc1ccc(NCC(=O)Nc2ccc(Nc3ccccc3)nc2)cc1 ZINC000058421607 564159106 /nfs/dbraw/zinc/15/91/06/564159106.db2.gz OBMWWMZMQJOVKK-UHFFFAOYSA-N 0 0 343.390 3.747 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(C#N)c1 ZINC000008271022 564163886 /nfs/dbraw/zinc/16/38/86/564163886.db2.gz VNRADCDQDUCVOU-UHFFFAOYSA-N 0 0 344.418 3.932 50 30 EHEARN Cc1cc(C)c(C#N)c(N2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000008749360 564167235 /nfs/dbraw/zinc/16/72/35/564167235.db2.gz LQAHAKACKVWWBH-UHFFFAOYSA-N 0 0 346.887 3.607 50 30 EHEARN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc(-c3ccccc3)cc2C#N)cn1 ZINC000069165984 564168525 /nfs/dbraw/zinc/16/85/25/564168525.db2.gz XVVKUIHWFQRFJJ-JKSUJKDBSA-N 0 0 348.431 3.762 50 30 EHEARN C=CCN(C(=O)Cc1ccc(C#N)cc1)c1nc2c(s1)CCCC2 ZINC000069431613 564169442 /nfs/dbraw/zinc/16/94/42/564169442.db2.gz VVQQFQHALCXIPW-UHFFFAOYSA-N 0 0 337.448 3.655 50 30 EHEARN N#CC1CCN(C(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000069534571 564170325 /nfs/dbraw/zinc/17/03/25/564170325.db2.gz XWHMCSLUAQCAGB-UHFFFAOYSA-N 0 0 349.434 3.711 50 30 EHEARN N#Cc1ccc(CNC(=O)Nc2ccc(OC(F)F)cc2)c(F)c1 ZINC000069699663 564171552 /nfs/dbraw/zinc/17/15/52/564171552.db2.gz HQGZENPBNFONOM-UHFFFAOYSA-N 0 0 335.285 3.620 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000069775657 564172148 /nfs/dbraw/zinc/17/21/48/564172148.db2.gz PLBQOLNWXHYIKG-UHFFFAOYSA-N 0 0 349.369 3.547 50 30 EHEARN Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)c1sccc1C1CC1 ZINC000069810072 564172265 /nfs/dbraw/zinc/17/22/65/564172265.db2.gz JAMSRTRJXGMRGJ-HNNXBMFYSA-N 0 0 348.431 3.911 50 30 EHEARN N#CCCSc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000069900229 564172706 /nfs/dbraw/zinc/17/27/06/564172706.db2.gz XOCXFRGBDSTATF-UHFFFAOYSA-N 0 0 336.413 3.632 50 30 EHEARN COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1C ZINC000041554077 564174063 /nfs/dbraw/zinc/17/40/63/564174063.db2.gz BHJBMQIQOIESOF-ZDUSSCGKSA-N 0 0 334.297 3.908 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)C(C(=O)OCC)=C1C ZINC000101672868 568417214 /nfs/dbraw/zinc/41/72/14/568417214.db2.gz SQGUHQSHUXAYNF-RVDMUPIBSA-N 0 0 331.799 3.589 50 30 EHEARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000096920208 1021508229 /nfs/dbraw/zinc/50/82/29/1021508229.db2.gz OTWAOLHSJJVUSS-FLIBITNWSA-N 0 0 336.347 3.618 50 30 EHEARN O=C(/C=C\c1cccc2c1OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097147141 1022116190 /nfs/dbraw/zinc/11/61/90/1022116190.db2.gz DHBPFKXXMUJPGY-ALCCZGGFSA-N 0 0 331.711 3.873 50 30 EHEARN Oc1ccc2ccccc2c1CN=Nc1ncc(Br)cn1 ZINC000004947045 1042686931 /nfs/dbraw/zinc/68/69/31/1042686931.db2.gz NWMSNQGEUUGSCU-DJKKODMXSA-N 0 0 343.184 3.544 50 30 EHEARN COc1cc(/C=C2\CCOc3ccccc3C2=O)ccc1OCC#N ZINC000102971167 1042879272 /nfs/dbraw/zinc/87/92/72/1042879272.db2.gz ICDGLZMHMWPRIA-NTCAYCPXSA-N 0 0 335.359 3.646 50 30 EHEARN N#Cc1cc(F)cc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1 ZINC000826768261 1131342832 /nfs/dbraw/zinc/34/28/32/1131342832.db2.gz WYVHKJZBVKRRBB-INIZCTEOSA-N 0 0 340.354 3.507 50 30 EHEARN COC1(c2noc(C(C)(C)Oc3ccc(C#N)cc3)n2)CCCC1 ZINC000585133557 1137021735 /nfs/dbraw/zinc/02/17/35/1137021735.db2.gz LXSRLGYJQMLYLI-UHFFFAOYSA-N 0 0 327.384 3.671 50 30 EHEARN CC(C)(C)OC(=O)N1CCC(c2ccn(CC3(CC#N)CC3)n2)CC1 ZINC000952879090 1137483175 /nfs/dbraw/zinc/48/31/75/1137483175.db2.gz MZJSIIYKFYKPFD-UHFFFAOYSA-N 0 0 344.459 3.691 50 30 EHEARN COC(=O)/C(=C\c1cc(C)n(-c2ccccc2Cl)c1C)C(C)=O ZINC000003218902 1138082120 /nfs/dbraw/zinc/08/21/20/1138082120.db2.gz MLTYNAYXWGUDHX-GDNBJRDFSA-N 0 0 331.799 3.893 50 30 EHEARN N#Cc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000050647213 214063011 /nfs/dbraw/zinc/06/30/11/214063011.db2.gz WBGAWSMVHFSMJO-YAINUAMHSA-N 0 0 342.402 3.811 50 30 EHEARN O=C1N/C(=N/N=C/c2ccccc2)S[C@H]1Cc1ccccc1Cl ZINC000004738078 210264043 /nfs/dbraw/zinc/26/40/43/210264043.db2.gz KJRIKRDWOXFXDU-BKQORJHRSA-N 0 0 343.839 3.504 50 30 EHEARN COc1cc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)ccc1O ZINC000053105413 214165201 /nfs/dbraw/zinc/16/52/01/214165201.db2.gz KUQPXFCDVVJOJD-VQHVLOKHSA-N 0 0 332.359 3.754 50 30 EHEARN C=C(C)COc1cccc(CN[C@H](CC(C)C)c2ncnn2C)c1 ZINC000055166330 214282038 /nfs/dbraw/zinc/28/20/38/214282038.db2.gz SUKOUALYIKZTLT-GOSISDBHSA-N 0 0 328.460 3.647 50 30 EHEARN C=CCn1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)c(C)n1 ZINC000055358001 214311197 /nfs/dbraw/zinc/31/11/97/214311197.db2.gz QTAUHYPWALTWQX-GOSISDBHSA-N 0 0 349.438 3.765 50 30 EHEARN C=CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O ZINC000004687990 210247741 /nfs/dbraw/zinc/24/77/41/210247741.db2.gz VKWKEVFKTBTZOK-PTNGSMBKSA-N 0 0 332.400 3.648 50 30 EHEARN Cc1sc(CNC(=O)N2CCC(C#N)CC2)nc1-c1ccccc1 ZINC000058357750 214561629 /nfs/dbraw/zinc/56/16/29/214561629.db2.gz OYPHXJRZAVCNPM-UHFFFAOYSA-N 0 0 340.452 3.564 50 30 EHEARN N#CCCCSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000004512307 210209811 /nfs/dbraw/zinc/20/98/11/210209811.db2.gz NJAPUMDQFWIUIG-UHFFFAOYSA-N 0 0 335.432 3.841 50 30 EHEARN C=CCNC(=S)N/N=C/c1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004510962 210208731 /nfs/dbraw/zinc/20/87/31/210208731.db2.gz XSVAKMDRWPQGEA-VXLYETTFSA-N 0 0 349.843 3.593 50 30 EHEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000004488858 210202198 /nfs/dbraw/zinc/20/21/98/210202198.db2.gz SIXZGJYVERESOO-LLVKDONJSA-N 0 0 333.815 3.595 50 30 EHEARN O=C1CC(c2ccco2)CC(=O)C1=CNc1cc(Cl)ccc1O ZINC000100453633 219099665 /nfs/dbraw/zinc/09/96/65/219099665.db2.gz UWMOPJNWVWAJCK-UHFFFAOYSA-N 0 0 331.755 3.650 50 30 EHEARN CCN(c1ccccc1)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O ZINC000004476865 210196997 /nfs/dbraw/zinc/19/69/97/210196997.db2.gz VVZAJPWTTXVUSJ-UHFFFAOYSA-N 0 0 346.430 3.900 50 30 EHEARN COc1ccc([C@H]2CC(=O)C=C(NC3Cc4ccccc4C3)C2)cc1 ZINC000101172503 219118871 /nfs/dbraw/zinc/11/88/71/219118871.db2.gz IBRYVVHREZLAPR-GOSISDBHSA-N 0 0 333.431 3.783 50 30 EHEARN O=C(c1cc(F)ccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000101168719 219118877 /nfs/dbraw/zinc/11/88/77/219118877.db2.gz KUUZJMXJAVUTBL-UHFFFAOYSA-N 0 0 347.205 3.922 50 30 EHEARN N#Cc1ccsc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000004330566 210173029 /nfs/dbraw/zinc/17/30/29/210173029.db2.gz BSEXEKXRTVEPPT-UHFFFAOYSA-N 0 0 327.192 3.944 50 30 EHEARN C=CCn1c2ccccc2nc1-c1c(-c2ccccc2)ncn1CCO ZINC000065403474 214894203 /nfs/dbraw/zinc/89/42/03/214894203.db2.gz HSZXBQGKQMPNGY-UHFFFAOYSA-N 0 0 344.418 3.745 50 30 EHEARN CCN(CC)/C(=N/S(=O)(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000003893629 210084483 /nfs/dbraw/zinc/08/44/83/210084483.db2.gz VHOLQKYEOSKXGJ-FMQUCBEESA-N 0 0 344.480 3.781 50 30 EHEARN C=C(C)COc1cccc(NC(=O)CCCNC(=O)C(C)(C)C)c1 ZINC000066727196 215073811 /nfs/dbraw/zinc/07/38/11/215073811.db2.gz GVWRTBVBDRCJTR-UHFFFAOYSA-N 0 0 332.444 3.523 50 30 EHEARN C=CCNC(=S)n1cc(-c2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000003133270 209968877 /nfs/dbraw/zinc/96/88/77/209968877.db2.gz FWBMIHOOBXHNCS-UHFFFAOYSA-N 0 0 346.765 3.526 50 30 EHEARN COc1ccc(-c2cc(-c3cccc(O)c3)c(C#N)c(N)n2)cc1F ZINC000067739581 215199800 /nfs/dbraw/zinc/19/98/00/215199800.db2.gz CLNLTINTAGNMQW-UHFFFAOYSA-N 0 0 335.338 3.723 50 30 EHEARN Cn1cncc1-c1cc(-c2ccccc2C(F)(F)F)nc(N)c1C#N ZINC000067742653 215201424 /nfs/dbraw/zinc/20/14/24/215201424.db2.gz OTWKMUQGNITUOB-UHFFFAOYSA-N 0 0 343.312 3.622 50 30 EHEARN CCOc1ccc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)cc1CO ZINC000067834416 215225041 /nfs/dbraw/zinc/22/50/41/215225041.db2.gz MLCVYSBFWLNQAQ-UHFFFAOYSA-N 0 0 349.390 3.662 50 30 EHEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCOC3)sc2C1 ZINC000069322982 215377673 /nfs/dbraw/zinc/37/76/73/215377673.db2.gz JGWSCLAZFUFWOP-NWDGAFQWSA-N 0 0 332.469 3.746 50 30 EHEARN CCOC(=O)c1c(C)oc2cc(Br)c(OCC#N)cc21 ZINC000001799066 209795358 /nfs/dbraw/zinc/79/53/58/209795358.db2.gz XXFKBWMEQXSBSB-UHFFFAOYSA-N 0 0 338.157 3.583 50 30 EHEARN CO[C@@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000069669618 215531421 /nfs/dbraw/zinc/53/14/21/215531421.db2.gz ULAJVJZJDOJOFA-WPRPVWTQSA-N 0 0 342.342 3.916 50 30 EHEARN CCOc1ccc([N+](=O)[O-])cc1/C=C1\N=C(SCC)SC1=O ZINC000000458579 209612446 /nfs/dbraw/zinc/61/24/46/209612446.db2.gz XFWJUQUEIQLICV-FLIBITNWSA-N 0 0 338.410 3.717 50 30 EHEARN CCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000036093486 213063906 /nfs/dbraw/zinc/06/39/06/213063906.db2.gz FZVNHHVAJMYSBL-TXVOGCCPSA-N 0 0 341.436 3.914 50 30 EHEARN COc1ccc2[nH]c(-c3cc(-c4cc[nH]c4)nc(N)c3C#N)c(C)c2c1 ZINC000071747230 215803167 /nfs/dbraw/zinc/80/31/67/215803167.db2.gz DHOUHRXNBWBMQA-UHFFFAOYSA-N 0 0 343.390 3.996 50 30 EHEARN CN(CC12CC3CC(CC(C3)C1)C2)c1ncc([N+](=O)[O-])cc1C#N ZINC000032837553 212853972 /nfs/dbraw/zinc/85/39/72/212853972.db2.gz UPOUSYHCNWCYMY-UHFFFAOYSA-N 0 0 326.400 3.514 50 30 EHEARN C=CCOc1cccc(NC(=O)NC2(c3noc(C)n3)CCCC2)c1 ZINC000071911806 215957025 /nfs/dbraw/zinc/95/70/25/215957025.db2.gz INDCWEJCODEQQT-UHFFFAOYSA-N 0 0 342.399 3.534 50 30 EHEARN Cc1csc([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)n1 ZINC000072298960 216136779 /nfs/dbraw/zinc/13/67/79/216136779.db2.gz SCPYGWYWDXRDAU-KRWDZBQOSA-N 0 0 339.464 3.662 50 30 EHEARN C=CCn1c(=O)c2ccccc2nc1SCc1nc2ccccc2[nH]1 ZINC000000250205 209503366 /nfs/dbraw/zinc/50/33/66/209503366.db2.gz XAKVHNSPIOJRGP-UHFFFAOYSA-N 0 0 348.431 3.751 50 30 EHEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccs2)cc1 ZINC000072405707 216197106 /nfs/dbraw/zinc/19/71/06/216197106.db2.gz FZBHBDWFBGRSPR-HNNXBMFYSA-N 0 0 334.404 3.988 50 30 EHEARN Cc1nc(COc2cccc(Cl)c2)sc1C(=O)/C=C/N(C)C ZINC000000121212 209433761 /nfs/dbraw/zinc/43/37/61/209433761.db2.gz MAXHQZIAFYQCRB-BQYQJAHWSA-N 0 0 336.844 3.942 50 30 EHEARN CCOc1cc(C#N)c(NC(=O)c2cccnc2Cl)cc1OCC ZINC000000110616 209428060 /nfs/dbraw/zinc/42/80/60/209428060.db2.gz MDVXPVNOHFSCGL-UHFFFAOYSA-N 0 0 345.786 3.656 50 30 EHEARN CCN(CC)C(=O)CSc1nc(C)cc(-c2cccs2)c1C#N ZINC000000067184 209398104 /nfs/dbraw/zinc/39/81/04/209398104.db2.gz XNHJDOVNGXRGLM-UHFFFAOYSA-N 0 0 345.493 3.951 50 30 EHEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(I)cc2)o1 ZINC000000065563 209396629 /nfs/dbraw/zinc/39/66/29/209396629.db2.gz KEXILURQUGOZHR-NTUHNPAUSA-N 0 0 342.092 3.543 50 30 EHEARN CCC[C@@H](C)N1CC2(CCN(Cc3ccccc3C#N)CC2)OC1=O ZINC000072439467 216234531 /nfs/dbraw/zinc/23/45/31/216234531.db2.gz YRMZZMOZAXPDAO-MRXNPFEDSA-N 0 0 341.455 3.534 50 30 EHEARN CN(CCC#N)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000025157853 212462973 /nfs/dbraw/zinc/46/29/73/212462973.db2.gz FGVIDMXJCASKQB-UHFFFAOYSA-N 0 0 349.463 3.873 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)s1 ZINC000025100842 212460051 /nfs/dbraw/zinc/46/00/51/212460051.db2.gz JNUVHAQDOPRENY-UHFFFAOYSA-N 0 0 335.226 3.654 50 30 EHEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(O)cc(C)c3C1=O)cn2C ZINC000023127140 212350316 /nfs/dbraw/zinc/35/03/16/212350316.db2.gz SDZKUUQOLKDAGO-WSVATBPTSA-N 0 0 335.359 3.817 50 30 biogenic EHEARN N#Cc1cccc(C(=O)N2CCS[C@H](c3cccs3)CC2)c1 ZINC000219502142 241394195 /nfs/dbraw/zinc/39/41/95/241394195.db2.gz NIIKITNBARMPAF-INIZCTEOSA-N 0 0 328.462 3.940 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000075542756 216634470 /nfs/dbraw/zinc/63/44/70/216634470.db2.gz NFRYMAOWXXLPRT-MOPGFXCFSA-N 0 0 335.407 3.678 50 30 EHEARN N#Cc1cccc(-c2cccc(-c3ccn(CCn4cccn4)n3)c2)c1 ZINC000020601761 212150875 /nfs/dbraw/zinc/15/08/75/212150875.db2.gz SYFSRWMFNUSTAZ-UHFFFAOYSA-N 0 0 339.402 3.985 50 30 EHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C)o1)O2 ZINC000020533160 212144829 /nfs/dbraw/zinc/14/48/29/212144829.db2.gz ABBXGIDDLAHSHZ-YVLHZVERSA-N 0 0 327.380 3.752 50 30 EHEARN Cc1cccc(NC(=S)NC[C@@H](c2cccnc2)N(C)C)c1C ZINC000020234879 212113927 /nfs/dbraw/zinc/11/39/27/212113927.db2.gz ZUBXPOQZZQKIPO-KRWDZBQOSA-N 0 0 328.485 3.699 50 30 EHEARN O=C1CCCC2=C1C(c1ccc(O)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000019973819 212092443 /nfs/dbraw/zinc/09/24/43/212092443.db2.gz XDIFOCXAVBIXCE-UHFFFAOYSA-N 0 0 343.810 3.747 50 30 EHEARN Fc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019882219 212079540 /nfs/dbraw/zinc/07/95/40/212079540.db2.gz WNRTZOXSXMYCLL-FYJGNVAPSA-N 0 0 331.822 3.631 50 30 EHEARN N#Cc1ccnc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)c1 ZINC000019809969 212071013 /nfs/dbraw/zinc/07/10/13/212071013.db2.gz VQAZQCVWFDOLRA-UHFFFAOYSA-N 0 0 337.386 3.927 50 30 EHEARN CC(=O)c1sc(N=NCc2c(O)ccc3ccccc32)nc1C ZINC000019791744 212067382 /nfs/dbraw/zinc/06/73/82/212067382.db2.gz AJXHZVSBQZQVJG-NVMNQCDNSA-N 0 0 325.393 3.959 50 30 EHEARN Cc1ccc(C)n1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000019121525 212000547 /nfs/dbraw/zinc/00/05/47/212000547.db2.gz YVJITWCKWVFLMB-UHFFFAOYSA-N 0 0 345.402 3.940 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000016391872 211900400 /nfs/dbraw/zinc/90/04/00/211900400.db2.gz VIFRKOWCKUMHOG-IZZDOVSWSA-N 0 0 341.407 3.675 50 30 EHEARN Cc1ccc(CSc2nnc(NC(=O)C3=COCCO3)s2)cc1 ZINC000014696208 211753863 /nfs/dbraw/zinc/75/38/63/211753863.db2.gz VKDSIGHPWPGJPW-UHFFFAOYSA-N 0 0 349.437 3.615 50 30 EHEARN NC(=O)c1ccccc1NC=CC(=O)c1ccc(Cl)cc1Cl ZINC000013468733 211562743 /nfs/dbraw/zinc/56/27/43/211562743.db2.gz YOVABDCRZCCORI-BQYQJAHWSA-N 0 0 335.190 3.901 50 30 EHEARN Cc1sc(NC(=O)[C@H]2CCCO2)c(C#N)c1-c1ccc(F)cc1 ZINC000013328535 211547437 /nfs/dbraw/zinc/54/74/37/211547437.db2.gz JIIROSCBRNTALK-CQSZACIVSA-N 0 0 330.384 3.852 50 30 EHEARN CC(C)CCNC(=NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000013306238 211543367 /nfs/dbraw/zinc/54/33/67/211543367.db2.gz YPQXEBOGNVTODP-UHFFFAOYSA-N 0 0 348.443 3.597 50 30 EHEARN CN(C(=O)c1occc1Br)c1cc(Cl)ccc1C#N ZINC000089364960 217789449 /nfs/dbraw/zinc/78/94/49/217789449.db2.gz HYRKANVHQLRUFV-UHFFFAOYSA-N 0 0 339.576 3.844 50 30 EHEARN N#Cc1c(N)cc(N)nc1SCCCSCc1ccccc1 ZINC000089840325 217859385 /nfs/dbraw/zinc/85/93/85/217859385.db2.gz RLIXUVJWAASHCZ-UHFFFAOYSA-N 0 0 330.482 3.533 50 30 EHEARN C=CCNC(=S)N=NCc1ccc(OCCCCC)c(OC)c1 ZINC000012374205 211358270 /nfs/dbraw/zinc/35/82/70/211358270.db2.gz JQOUSVVDAVYCGR-UYRXBGFRSA-N 0 0 335.473 3.660 50 30 EHEARN Cc1c([C@@H](C)NC(=O)c2ccccc2C#N)cnn1-c1ccccc1 ZINC000091536932 218019080 /nfs/dbraw/zinc/01/90/80/218019080.db2.gz KSVYWABYKFOWSR-CQSZACIVSA-N 0 0 330.391 3.543 50 30 EHEARN N#Cc1ccc(OC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000011327147 211211845 /nfs/dbraw/zinc/21/18/45/211211845.db2.gz BIUYTCQQTYBWKQ-UHFFFAOYSA-N 0 0 336.322 3.891 50 30 EHEARN CC[C@H](SCc1cc(C#N)ccc1F)C(=O)Nc1cc(C)on1 ZINC000009690712 211115519 /nfs/dbraw/zinc/11/55/19/211115519.db2.gz JGHQOTZRMFYWIG-AWEZNQCLSA-N 0 0 333.388 3.644 50 30 EHEARN CN(Cc1ccccc1Br)C(=O)c1ccc(C#N)cc1 ZINC000009459895 211087407 /nfs/dbraw/zinc/08/74/07/211087407.db2.gz ZFEBYRXBUIKXEN-UHFFFAOYSA-N 0 0 329.197 3.593 50 30 EHEARN Cc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ncnn21 ZINC000009484302 211090337 /nfs/dbraw/zinc/09/03/37/211090337.db2.gz OXFDGCNXRCSJRX-YJYMSZOUSA-N 0 0 346.390 3.595 50 30 EHEARN C=CCNC(=O)Nc1ccc(NCc2ccc(F)c(OC)c2)cc1 ZINC000095437376 218380614 /nfs/dbraw/zinc/38/06/14/218380614.db2.gz AZTYMRDZRLZNKB-UHFFFAOYSA-N 0 0 329.375 3.754 50 30 EHEARN COCC[C@H](Nc1cc(C#N)cc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000095465747 218405128 /nfs/dbraw/zinc/40/51/28/218405128.db2.gz WGXPJNKHDFYXPZ-AWEZNQCLSA-N 0 0 329.356 3.866 50 30 EHEARN COc1cc(COC(=O)c2cccc(C#N)c2)ccc1OC(F)F ZINC000007392466 210792711 /nfs/dbraw/zinc/79/27/11/210792711.db2.gz KSIIDGLDXWJWDY-UHFFFAOYSA-N 0 0 333.290 3.525 50 30 EHEARN CCOc1ccc(NC(=O)N(C)[C@@H](CC)c2cccnc2)cc1C#N ZINC000096161255 218637184 /nfs/dbraw/zinc/63/71/84/218637184.db2.gz RRJKJJZHWUNKSQ-KRWDZBQOSA-N 0 0 338.411 3.967 50 30 EHEARN O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccc2c(c1)OCCO2 ZINC000096401783 218749931 /nfs/dbraw/zinc/74/99/31/218749931.db2.gz MORQLGDXMUABBY-VURMDHGXSA-N 0 0 344.370 3.811 50 30 EHEARN Cc1nc(Cc2nnc(SCc3ccc(C#N)cc3)o2)cs1 ZINC000005834020 210545818 /nfs/dbraw/zinc/54/58/18/210545818.db2.gz LOWNAIIYAGGZHV-UHFFFAOYSA-N 0 0 328.422 3.589 50 30 EHEARN Cc1ocnc1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000096491445 218869128 /nfs/dbraw/zinc/86/91/28/218869128.db2.gz BDOJRTCAZOIZIU-UHFFFAOYSA-N 0 0 348.362 3.969 50 30 EHEARN Cc1cc(N(CCO)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000005336959 210442560 /nfs/dbraw/zinc/44/25/60/210442560.db2.gz SVWMROSRIDHKJL-UHFFFAOYSA-N 0 0 342.402 3.798 50 30 EHEARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNc1ccc(C#N)cc1 ZINC000096954581 218905367 /nfs/dbraw/zinc/90/53/67/218905367.db2.gz TXKVBGMDQLZORH-UHFFFAOYSA-N 0 0 348.233 3.936 50 30 EHEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005196003 210411364 /nfs/dbraw/zinc/41/13/64/210411364.db2.gz XCRIPKKCBUXIMO-YBEGLDIGSA-N 0 0 327.336 3.736 50 30 EHEARN N#C[C@H]1C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12 ZINC000005092861 210388423 /nfs/dbraw/zinc/38/84/23/210388423.db2.gz NNPCLIFHNIPTRX-LZQZEXGQSA-N 0 0 345.358 3.592 50 30 EHEARN NC(=NC(=O)c1ccc(Cl)c(Cl)c1)Nc1nc2ccccc2o1 ZINC000004834370 210292573 /nfs/dbraw/zinc/29/25/73/210292573.db2.gz URZIUTYJFBHFLT-UHFFFAOYSA-N 0 0 349.177 3.702 50 30 EHEARN C=CCn1cc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)c(C)n1 ZINC000097425655 219023410 /nfs/dbraw/zinc/02/34/10/219023410.db2.gz DTSHCGJBAQHQCD-IBGZPJMESA-N 0 0 335.455 3.981 50 30 EHEARN N#Cc1cnc(N2CCC[C@@H]2c2ccc(Br)c(F)c2)cn1 ZINC000282035750 257938395 /nfs/dbraw/zinc/93/83/95/257938395.db2.gz RUVZHVVYYDRONL-CQSZACIVSA-N 0 0 347.191 3.591 50 30 EHEARN O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1ccsc1Cl ZINC000328599436 258041756 /nfs/dbraw/zinc/04/17/56/258041756.db2.gz RWNQGBLBAFFMMW-UHFFFAOYSA-N 0 0 334.828 3.908 50 30 EHEARN CC[C@@](C)(NC(=O)C(=O)Nc1cc(C)c(F)cc1C)c1nccs1 ZINC000328596590 258042679 /nfs/dbraw/zinc/04/26/79/258042679.db2.gz GGJAMBMWKJCRJS-QGZVFWFLSA-N 0 0 349.431 3.929 50 30 EHEARN C=C[C@](C)(CC)C(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000408520222 257979693 /nfs/dbraw/zinc/97/96/93/257979693.db2.gz VGKQXXPPKUVORC-PKOBYXMFSA-N 0 0 337.410 3.839 50 30 EHEARN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@@H]1CCc2n[nH]cc2C1 ZINC000328586472 258046717 /nfs/dbraw/zinc/04/67/17/258046717.db2.gz XSTIKVYACWVLCD-LLVKDONJSA-N 0 0 347.378 3.939 50 30 EHEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)NC(C)(C)C ZINC000007781674 258018098 /nfs/dbraw/zinc/01/80/98/258018098.db2.gz DZKSLLFCWAVGIT-UHFFFAOYSA-N 0 0 328.416 3.541 50 30 EHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cccc(C)c2)C1=O ZINC000007332327 258052872 /nfs/dbraw/zinc/05/28/72/258052872.db2.gz HWRIFAZKZSRZHC-LGMDPLHJSA-N 0 0 349.386 3.822 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000069656880 258063719 /nfs/dbraw/zinc/06/37/19/258063719.db2.gz QQNCHVLWHUXHAY-IRXDYDNUSA-N 0 0 339.826 3.781 50 30 EHEARN Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175381101 533626011 /nfs/dbraw/zinc/62/60/11/533626011.db2.gz GXOFMKCMPXIMNR-UHFFFAOYSA-N 0 0 332.407 3.696 50 30 EHEARN O=[N+]([O-])c1cccc(N=NC2CCN(c3ccc(F)cc3)CC2)c1 ZINC000060418234 132804919 /nfs/dbraw/zinc/80/49/19/132804919.db2.gz SPNUZTOKZNAASL-UHFFFAOYSA-N 0 0 328.347 3.802 50 30 EHEARN O=C(/C=C/c1ccccc1OC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012783350 262522325 /nfs/dbraw/zinc/52/23/25/262522325.db2.gz HQPCSDXLEZHUPH-SOFGYWHQSA-N 0 0 348.280 3.651 50 30 EHEARN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000060163499 518260846 /nfs/dbraw/zinc/26/08/46/518260846.db2.gz DXRBWUTXZLGCFI-CQSZACIVSA-N 0 0 345.801 3.908 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cn(C(C)(C)C)nc1C ZINC000182314200 518784889 /nfs/dbraw/zinc/78/48/89/518784889.db2.gz LTAQIANHUUDBGM-UHFFFAOYSA-N 0 0 336.439 3.647 50 30 EHEARN C=CCN(Cc1cn(CC=C)nc1C)Cc1nc(-c2ccccc2)no1 ZINC000055199726 518791983 /nfs/dbraw/zinc/79/19/83/518791983.db2.gz OAEOKGXIZMMOLI-UHFFFAOYSA-N 0 0 349.438 3.616 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccs1 ZINC000004513051 518798901 /nfs/dbraw/zinc/79/89/01/518798901.db2.gz WNSJGYZBXZXZED-UHFFFAOYSA-N 0 0 325.393 3.627 50 30 EHEARN C=CCNC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1 ZINC000023547363 518898202 /nfs/dbraw/zinc/89/82/02/518898202.db2.gz VQDZHZDDSOHUEA-UHFFFAOYSA-N 0 0 337.448 3.728 50 30 EHEARN C=CCOc1ccc(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000012904216 519031811 /nfs/dbraw/zinc/03/18/11/519031811.db2.gz AQBGBNIHCKMUFN-UHFFFAOYSA-N 0 0 341.436 3.594 50 30 EHEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000003364071 519174417 /nfs/dbraw/zinc/17/44/17/519174417.db2.gz YQVCBPRCENFHKC-GFCCVEGCSA-N 0 0 340.452 3.926 50 30 EHEARN C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(OC)cc1 ZINC000005478685 519197461 /nfs/dbraw/zinc/19/74/61/519197461.db2.gz BHPYWASNLIAJSF-UHFFFAOYSA-N 0 0 345.468 3.847 50 30 EHEARN C=CCn1c(SCC(=O)NC2CCCC2)nnc1C1CCCCC1 ZINC000003485648 519206768 /nfs/dbraw/zinc/20/67/68/519206768.db2.gz BMGUOFPXXBXTTG-UHFFFAOYSA-N 0 0 348.516 3.663 50 30 EHEARN C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1C1CC1 ZINC000023006293 519233275 /nfs/dbraw/zinc/23/32/75/519233275.db2.gz UBFUETKAPWWGME-UHFFFAOYSA-N 0 0 346.431 3.602 50 30 EHEARN C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1 ZINC000000526887 519247093 /nfs/dbraw/zinc/24/70/93/519247093.db2.gz MCHQDBWILLVKTI-UHFFFAOYSA-N 0 0 348.435 3.695 50 30 EHEARN CCCCCCCNC(=O)CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000098045234 520053566 /nfs/dbraw/zinc/05/35/66/520053566.db2.gz GRNGUPHEHASGAD-GOSISDBHSA-N 0 0 346.515 3.991 50 30 EHEARN CCCCn1ccnc1C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000091662943 521394716 /nfs/dbraw/zinc/39/47/16/521394716.db2.gz DUEDXPSIWRQTFW-UHFFFAOYSA-N 0 0 336.439 3.575 50 30 EHEARN CC[C@@H](C(=O)[C@H](C#N)c1nccn1CC(F)(F)F)c1ccccc1 ZINC000071913666 521893623 /nfs/dbraw/zinc/89/36/23/521893623.db2.gz YSEBXNYUSARLGJ-KGLIPLIRSA-N 0 0 335.329 3.815 50 30 EHEARN COc1cc(/C=C2\C(=O)ON=C2C)ccc1OCCc1ccccc1 ZINC000016161094 521963060 /nfs/dbraw/zinc/96/30/60/521963060.db2.gz LVGUWIABVDSELK-ATVHPVEESA-N 0 0 337.375 3.633 50 30 EHEARN COc1ccc(-c2csc(N=NC(C)c3ccc(O)cc3)n2)cc1 ZINC000043761268 523160226 /nfs/dbraw/zinc/16/02/26/523160226.db2.gz XGGHNPDRKJPRIL-UDWIEESQSA-N 0 0 339.420 3.782 50 30 EHEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccccc1 ZINC000252429343 524325143 /nfs/dbraw/zinc/32/51/43/524325143.db2.gz FLKMCUZITYTFMU-LULDBNCYSA-N 0 0 336.420 3.790 50 30 EHEARN Cc1cc([C@@H](C#N)C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)nc(C)n1 ZINC000041574869 525443825 /nfs/dbraw/zinc/44/38/25/525443825.db2.gz CIOWZTNWNBRSAV-QGZVFWFLSA-N 0 0 344.418 3.944 50 30 EHEARN Cc1cc2ccccc2n1CC(=O)Nc1ncccc1OCCCC#N ZINC000069532713 525655579 /nfs/dbraw/zinc/65/55/79/525655579.db2.gz VGDAVJTUYWKMGM-UHFFFAOYSA-N 0 0 348.406 3.666 50 30 EHEARN Cc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000007586469 525953789 /nfs/dbraw/zinc/95/37/89/525953789.db2.gz ORLWQFSPXJKZMZ-FNORWQNLSA-N 0 0 331.412 3.928 50 30 EHEARN N#CCCN(Cc1ccc(Br)s1)Cc1cccnc1 ZINC000043677532 526456146 /nfs/dbraw/zinc/45/61/46/526456146.db2.gz CHEBZSLSQQYPGN-UHFFFAOYSA-N 0 0 336.258 3.821 50 30 EHEARN N#CCN(C(=O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000021325794 526468677 /nfs/dbraw/zinc/46/86/77/526468677.db2.gz PVZACSUWJCUILK-UHFFFAOYSA-N 0 0 335.190 3.929 50 30 EHEARN N#CCOc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 ZINC000018829743 526475063 /nfs/dbraw/zinc/47/50/63/526475063.db2.gz UMMVXRQGQRMBCK-UHFFFAOYSA-N 0 0 342.782 3.844 50 30 EHEARN Clc1ccccc1CN1CCN(/N=C/C=C\c2ccco2)CC1 ZINC000013571923 526986782 /nfs/dbraw/zinc/98/67/82/526986782.db2.gz KVKNNWCEKLSEQH-QZMFMALVSA-N 0 0 329.831 3.750 50 30 EHEARN O=C(Cc1ccccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000071910099 563576360 /nfs/dbraw/zinc/57/63/60/563576360.db2.gz KWDJCIJLIYHFMP-UHFFFAOYSA-N 0 0 343.242 3.712 50 30 EHEARN CC(C)(C#N)CC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000278694057 564120160 /nfs/dbraw/zinc/12/01/60/564120160.db2.gz JBMZBSSCVANNKQ-UHFFFAOYSA-N 0 0 347.216 3.513 50 30 EHEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccnc1 ZINC000000094568 563223600 /nfs/dbraw/zinc/22/36/00/563223600.db2.gz QBSMSIQOJQFFJP-UHFFFAOYSA-N 0 0 328.371 3.952 50 30 EHEARN Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1 ZINC000000447474 563317799 /nfs/dbraw/zinc/31/77/99/563317799.db2.gz GNFPPAGJPGQVCQ-LPYMAVHISA-N 0 0 343.386 3.724 50 30 EHEARN CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1coc(-c2ccccc2)n1 ZINC000071887968 563389900 /nfs/dbraw/zinc/38/99/00/563389900.db2.gz LMIQUOHIPYFPSW-UHFFFAOYSA-N 0 0 348.406 3.951 50 30 EHEARN N#CCOc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 ZINC000001799117 563412436 /nfs/dbraw/zinc/41/24/36/563412436.db2.gz RYNRHPPACJFFGK-UHFFFAOYSA-N 0 0 334.356 3.972 50 30 EHEARN NC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F ZINC000002243767 563427686 /nfs/dbraw/zinc/42/76/86/563427686.db2.gz JULXQCOKFJQXHV-UHFFFAOYSA-N 0 0 325.130 3.842 50 30 EHEARN CC[C@H](C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000034769448 563474892 /nfs/dbraw/zinc/47/48/92/563474892.db2.gz VIZXVLZDRPTDQH-JTQLQIEISA-N 0 0 347.871 3.774 50 30 EHEARN C/C(=N\OC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000004550728 563505044 /nfs/dbraw/zinc/50/50/44/563505044.db2.gz RCKSEKXNWTYZHO-WOJGMQOQSA-N 0 0 346.180 3.865 50 30 EHEARN Cc1ccc(-n2cnc(N=CN(C)C)c2C(=O)c2ccccc2)cc1 ZINC000584904446 563601508 /nfs/dbraw/zinc/60/15/08/563601508.db2.gz WVQJVTXJJXPLSG-UHFFFAOYSA-N 0 0 332.407 3.633 50 30 EHEARN Cc1ccc(/N=C2\SCC(=O)N2CCc2ccncc2)c(C)c1 ZINC000008314594 563626123 /nfs/dbraw/zinc/62/61/23/563626123.db2.gz HXDYTMUSAVHGSF-ZZEZOPTASA-N 0 0 325.437 3.504 50 30 EHEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000012655531 563667202 /nfs/dbraw/zinc/66/72/02/563667202.db2.gz RUQCGCWODJEVJZ-YMZABRCDSA-N 0 0 346.467 3.661 50 30 biogenic EHEARN CC(=CN=Nc1nn2cnnc2c2ccccc21)Cc1ccccc1 ZINC000013552671 563701439 /nfs/dbraw/zinc/70/14/39/563701439.db2.gz WWVOCDFOWWTLAV-SVRYVPOOSA-N 0 0 328.379 3.779 50 30 EHEARN O=[N+](CC(=N[O-])c1cccs1)Cc1ccccc1C(F)(F)F ZINC000013763602 563721505 /nfs/dbraw/zinc/72/15/05/563721505.db2.gz JEGNJDUHELKZGB-MTCYGKEXSA-N 0 0 328.315 3.575 50 30 EHEARN O=C1CSC(=S)N1/N=C/c1ccc(Cc2ccccc2)s1 ZINC000013961131 563733568 /nfs/dbraw/zinc/73/35/68/563733568.db2.gz HASGOQUTCWWVAU-CXUHLZMHSA-N 0 0 332.475 3.533 50 30 EHEARN N#Cc1c(CN2CCC(C(=O)c3ccccc3)CC2)cn2ccccc12 ZINC000032825221 563756326 /nfs/dbraw/zinc/75/63/26/563756326.db2.gz LMIYYBKHHWDDGU-UHFFFAOYSA-N 0 0 343.430 3.906 50 30 EHEARN C[C@@H]1Oc2c(cccc2C(=O)OCCOc2ccc(C#N)cc2)[C@@H]1C ZINC000032829414 563759008 /nfs/dbraw/zinc/75/90/08/563759008.db2.gz RSUZWIOALFXXEH-KGLIPLIRSA-N 0 0 337.375 3.678 50 30 EHEARN COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017195375 563839896 /nfs/dbraw/zinc/83/98/96/563839896.db2.gz XJYIPYGBDWACTE-YHYXMXQVSA-N 0 0 328.364 3.617 50 30 EHEARN COc1cc(/C=N/c2cccc([N+](=O)[O-])c2C)ccc1OC(C)=O ZINC000018105528 563848633 /nfs/dbraw/zinc/84/86/33/563848633.db2.gz XNGPSYWPKQVWHF-VCHYOVAHSA-N 0 0 328.324 3.588 50 30 EHEARN O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(Cl)cc1 ZINC000018141318 563849436 /nfs/dbraw/zinc/84/94/36/563849436.db2.gz IRXTVNABOZORQL-ZROIWOOFSA-N 0 0 330.796 3.937 50 30 EHEARN Cc1cc(C)nc(N=C(NC(=O)C(C)(C)C)Nc2ccc(F)cc2)n1 ZINC000018283847 563851973 /nfs/dbraw/zinc/85/19/73/563851973.db2.gz QQJUBAFAYRMBTF-UHFFFAOYSA-N 0 0 343.406 3.685 50 30 EHEARN CCCCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 ZINC000020827730 563860032 /nfs/dbraw/zinc/86/00/32/563860032.db2.gz MRFNIPXIQPBOKY-UHFFFAOYSA-N 0 0 345.512 3.951 50 30 EHEARN N#CCC[C@@H](C#N)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000024989627 563879493 /nfs/dbraw/zinc/87/94/93/563879493.db2.gz VGDBJIUHIAXLQS-ZDUSSCGKSA-N 0 0 334.404 3.569 50 30 EHEARN N#Cc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1C#N ZINC000072292740 563910327 /nfs/dbraw/zinc/91/03/27/563910327.db2.gz KNHAHSDFXLWBGW-UHFFFAOYSA-N 0 0 336.401 3.867 50 30 EHEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000057525173 563935682 /nfs/dbraw/zinc/93/56/82/563935682.db2.gz URFYOILWJMILHW-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN N#CCN(Cc1ccccc1)C(=O)CCc1nc2ccccc2s1 ZINC000058200996 563939675 /nfs/dbraw/zinc/93/96/75/563939675.db2.gz QINILADVUPNUMC-UHFFFAOYSA-N 0 0 335.432 3.781 50 30 EHEARN Cc1c(C(=O)C=Cc2c[nH]nc2C(C)(C)C)nnn1-c1ccc(C)cc1 ZINC000058381683 563944468 /nfs/dbraw/zinc/94/44/68/563944468.db2.gz IHOLZOPQOAHMEM-DHZHZOJOSA-N 0 0 349.438 3.801 50 30 EHEARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(c2nccnc2C#N)C1 ZINC000096413211 563950859 /nfs/dbraw/zinc/95/08/59/563950859.db2.gz DQCFQOWKNBHSRI-HNNXBMFYSA-N 0 0 346.438 3.663 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000096495684 563955700 /nfs/dbraw/zinc/95/57/00/563955700.db2.gz SBLDRXJLGRFSOZ-LBPRGKRZSA-N 0 0 335.367 3.656 50 30 EHEARN CCCCCCCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000068572334 563963261 /nfs/dbraw/zinc/96/32/61/563963261.db2.gz MTPWQARRRZBKMV-UHFFFAOYSA-N 0 0 337.376 3.902 50 30 EHEARN Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2)c(C)c1 ZINC000033360690 563974931 /nfs/dbraw/zinc/97/49/31/563974931.db2.gz YMUPLELUKLEPHN-YOPNLDQXSA-N 0 0 337.448 3.769 50 30 EHEARN Cc1cc(C(=O)N(C)c2cc(C#N)c3ccccc3n2)ccc1[N+](=O)[O-] ZINC000072288055 563976198 /nfs/dbraw/zinc/97/61/98/563976198.db2.gz ZNRXTRJSUJQNBV-UHFFFAOYSA-N 0 0 346.346 3.600 50 30 EHEARN Cc1cc(C)n2ncc(-c3cc(C4CCCCC4)nc(N)c3C#N)c2n1 ZINC000071764215 563983037 /nfs/dbraw/zinc/98/30/37/563983037.db2.gz CVAAEUXIVBBFGS-UHFFFAOYSA-N 0 0 346.438 3.910 50 30 EHEARN N#Cc1ccsc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000014134674 563983268 /nfs/dbraw/zinc/98/32/68/563983268.db2.gz LESFHZYRKKXHNZ-UHFFFAOYSA-N 0 0 331.447 3.986 50 30 EHEARN COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000000109147 563986504 /nfs/dbraw/zinc/98/65/04/563986504.db2.gz YMMJJEPPIBRKRX-HKUYNNGSSA-N 0 0 339.366 3.667 50 30 EHEARN Cc1ccc(CSc2nncn2/N=C/c2ccc(F)cc2)cc1 ZINC000000147651 563987279 /nfs/dbraw/zinc/98/72/79/563987279.db2.gz GODSDHHAHHYBSM-KEBDBYFISA-N 0 0 326.400 3.900 50 30 EHEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000408513715 563992783 /nfs/dbraw/zinc/99/27/83/563992783.db2.gz RSLOYLFFEFHEHG-SJORKVTESA-N 0 0 345.402 3.567 50 30 EHEARN Cc1ccc(C)c(NC(=O)[C@@H](C#N)C(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000100819214 563995621 /nfs/dbraw/zinc/99/56/21/563995621.db2.gz DWCRTGZQFMWLIV-LBPRGKRZSA-N 0 0 346.308 3.682 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000000428050 563998832 /nfs/dbraw/zinc/99/88/32/563998832.db2.gz CJDRESMJUOCQEV-LPHOPBHVSA-N 0 0 340.375 3.608 50 30 EHEARN N#Cc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000075584467 564000510 /nfs/dbraw/zinc/00/05/10/564000510.db2.gz HBOLWRNKKAQRJI-JSGCOSHPSA-N 0 0 343.324 3.618 50 30 EHEARN N#CC1(NC(=O)CSC2=Nc3ccccc3CS2)CCCCC1 ZINC000005325617 564002648 /nfs/dbraw/zinc/00/26/48/564002648.db2.gz PZTQWDIEEGDPIB-UHFFFAOYSA-N 0 0 345.493 3.997 50 30 EHEARN COc1cccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)c1 ZINC000005642830 564006943 /nfs/dbraw/zinc/00/69/43/564006943.db2.gz ORXXDNWETRCVRZ-ZDUSSCGKSA-N 0 0 341.436 3.698 50 30 EHEARN N#Cc1cccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)n1 ZINC000181146932 564017022 /nfs/dbraw/zinc/01/70/22/564017022.db2.gz CIANWXDBTUAPCE-OAHLLOKOSA-N 0 0 333.313 3.550 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1cccc(Cl)c1 ZINC000018195618 564018691 /nfs/dbraw/zinc/01/86/91/564018691.db2.gz LKQIJRJDFQBVHT-CYBMUJFWSA-N 0 0 343.814 3.969 50 30 EHEARN COc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196865 564018708 /nfs/dbraw/zinc/01/87/08/564018708.db2.gz BHLCKLHOIZYLPL-FQEVSTJZSA-N 0 0 349.386 3.988 50 30 EHEARN COc1cc2c(cc1OC)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000018197345 564018711 /nfs/dbraw/zinc/01/87/11/564018711.db2.gz QZZBXQXIAFGNRT-LJQANCHMSA-N 0 0 336.391 3.663 50 30 EHEARN CCc1ccc(C2=Nc3ncnn3/C2=N/Cc2ccc(F)cc2)cc1 ZINC000102651086 564020425 /nfs/dbraw/zinc/02/04/25/564020425.db2.gz IXKWLNOUBPOTOR-DYTRJAOYSA-N 0 0 333.370 3.561 50 30 EHEARN O=c1c2[nH]c3ccc(F)cc3c2ncn1/N=C/c1cccc(Cl)c1 ZINC000000534303 564022056 /nfs/dbraw/zinc/02/20/56/564022056.db2.gz ZISYZBBWCBUQPI-ODCIPOBUSA-N 0 0 340.745 3.553 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000047405394 564026299 /nfs/dbraw/zinc/02/62/99/564026299.db2.gz LVPGQRXQXAVVMD-JTQLQIEISA-N 0 0 343.843 3.928 50 30 EHEARN O=[N+]([O-])c1ccc([C@H](O)C/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000108965915 564028558 /nfs/dbraw/zinc/02/85/58/564028558.db2.gz HLVVYZODVRPTMT-GTBBCORBSA-N 0 0 336.347 3.606 50 30 EHEARN Cc1ccccc1NC(=NC(=O)c1ccccc1)NCc1ccncc1 ZINC000045939975 564028900 /nfs/dbraw/zinc/02/89/00/564028900.db2.gz IAKKVBKPQLHNAQ-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000245247932 564033112 /nfs/dbraw/zinc/03/31/12/564033112.db2.gz ZESRJSPZRDMNHY-ZSPTZRBXSA-N 0 0 330.468 3.696 50 30 EHEARN C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 ZINC000002866651 564036061 /nfs/dbraw/zinc/03/60/61/564036061.db2.gz OWWIPUDKPNKCSC-UHFFFAOYSA-N 0 0 346.433 3.834 50 30 EHEARN N#Cc1cccc(COC(=O)c2ccccc2NC(=O)c2ccco2)c1 ZINC000005987711 564057465 /nfs/dbraw/zinc/05/74/65/564057465.db2.gz YFWKFBYRNACVDR-UHFFFAOYSA-N 0 0 346.342 3.761 50 30 EHEARN N#Cc1ccccc1CCC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000012542770 564058765 /nfs/dbraw/zinc/05/87/65/564058765.db2.gz XGCQGYAAGZXWSK-UHFFFAOYSA-N 0 0 334.404 3.648 50 30 EHEARN Cc1ccc(/N=C2\NC(=O)/C(=C3\c4ccccc4NC3=O)S2)c(C)c1 ZINC000001286764 564062925 /nfs/dbraw/zinc/06/29/25/564062925.db2.gz WFGDIAGRZUQYOJ-NXVVXOECSA-N 0 0 349.415 3.517 50 30 EHEARN N#CCCN(CCC(F)(F)F)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000084581827 564068794 /nfs/dbraw/zinc/06/87/94/564068794.db2.gz HXVINUCHMLWXKO-WBVHZDCISA-N 0 0 336.357 3.585 50 30 EHEARN C[C@@H](Sc1ncnc2sccc21)C(=O)Nc1ccccc1C#N ZINC000006115510 564074405 /nfs/dbraw/zinc/07/44/05/564074405.db2.gz LROJEYNSSVMODK-SNVBAGLBSA-N 0 0 340.433 3.682 50 30 EHEARN C#CCOC(=O)CCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000002057878 564074782 /nfs/dbraw/zinc/07/47/82/564074782.db2.gz KQHCKPVEGKAJAZ-UHFFFAOYSA-N 0 0 348.613 3.932 50 30 EHEARN O=S(=O)(N/N=C1\CCCC[C@H]1c1ccccc1)c1ccccc1 ZINC000019227256 564077331 /nfs/dbraw/zinc/07/73/31/564077331.db2.gz BNFGMPOSUMVOSX-SISFKGJESA-N 0 0 328.437 3.679 50 30 EHEARN N#Cc1cccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)c1 ZINC000049600856 564077423 /nfs/dbraw/zinc/07/74/23/564077423.db2.gz ZOGHZZSVBXNWSP-UHFFFAOYSA-N 0 0 339.402 3.715 50 30 EHEARN N#Cc1ccccc1-c1ccc(COc2ccccc2C(N)=O)cc1 ZINC000012891300 564077581 /nfs/dbraw/zinc/07/75/81/564077581.db2.gz QPHAABNZCAFKJD-UHFFFAOYSA-N 0 0 328.371 3.903 50 30 EHEARN COc1cc(C#N)ccc1OS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000016084348 564079594 /nfs/dbraw/zinc/07/95/94/564079594.db2.gz NTAKSULKZKRQFI-UHFFFAOYSA-N 0 0 345.420 3.568 50 30 EHEARN C#Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000012941919 564079631 /nfs/dbraw/zinc/07/96/31/564079631.db2.gz BLZANVFRRLHNBM-UHFFFAOYSA-N 0 0 330.343 3.766 50 30 EHEARN CC1=C(SCC(=O)Nc2ccccc2)C(=O)c2ccccc2C1=O ZINC000075250250 564081163 /nfs/dbraw/zinc/08/11/63/564081163.db2.gz KFDOJFLTWBEIQA-UHFFFAOYSA-N 0 0 337.400 3.712 50 30 EHEARN N#Cc1ccsc1NC(=O)CCN1CCCc2cc(F)ccc21 ZINC000026623704 564087232 /nfs/dbraw/zinc/08/72/32/564087232.db2.gz QOLXEHBWMJSNRK-UHFFFAOYSA-N 0 0 329.400 3.540 50 30 EHEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccccn2)cc1 ZINC000239038837 564087997 /nfs/dbraw/zinc/08/79/97/564087997.db2.gz FAFAWVSGQCLZCP-UHFFFAOYSA-N 0 0 337.452 3.809 50 30 EHEARN Cc1ccc(CN2CCN(N=Cc3ccccc3F)CC2)c(C)c1 ZINC000244708222 564088554 /nfs/dbraw/zinc/08/85/54/564088554.db2.gz KPTDKZBLPIBXFQ-UHFFFAOYSA-N 0 0 325.431 3.594 50 30 EHEARN Cc1ccc(-n2c(S[C@@H](C)C#N)nnc2N2CCCCC2)cc1 ZINC000007104831 564104885 /nfs/dbraw/zinc/10/48/85/564104885.db2.gz SDAOFVBMUPOEGM-AWEZNQCLSA-N 0 0 327.457 3.570 50 30 EHEARN N#C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1F ZINC000065553697 564107517 /nfs/dbraw/zinc/10/75/17/564107517.db2.gz AISOINPEGFUDTF-GOSISDBHSA-N 0 0 339.345 3.760 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2cn3ccc(C)cc3n2)cc1 ZINC000065591244 564107902 /nfs/dbraw/zinc/10/79/02/564107902.db2.gz RZCWITABUMLWJG-UHFFFAOYSA-N 0 0 348.406 3.602 50 30 EHEARN Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1ccccc1 ZINC000013598601 564111798 /nfs/dbraw/zinc/11/17/98/564111798.db2.gz DQPGWPPJDSLOGV-UOUGTWJRSA-N 0 0 337.448 3.849 50 30 EHEARN COc1ccccc1C1N=NC(=S)N1N=Cc1c[nH]c2ccccc12 ZINC000006007488 564113450 /nfs/dbraw/zinc/11/34/50/564113450.db2.gz VCLWLCIYLUWNRT-RGVLZGJSSA-N 0 0 349.419 3.606 50 30 EHEARN CCc1ccc(C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)c2ccccc12 ZINC000003123114 564119111 /nfs/dbraw/zinc/11/91/11/564119111.db2.gz VMUIJXFGEMWBSF-UHFFFAOYSA-N 0 0 345.354 3.953 50 30 EHEARN Cc1cccc2sc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)nc21 ZINC000007725187 564122285 /nfs/dbraw/zinc/12/22/85/564122285.db2.gz AQFLSNDNWFRHNH-LBPRGKRZSA-N 0 0 337.404 3.882 50 30 EHEARN COc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1Br ZINC000007760350 564122713 /nfs/dbraw/zinc/12/27/13/564122713.db2.gz HWWXQQGPFPCJKJ-UHFFFAOYSA-N 0 0 346.180 3.686 50 30 EHEARN CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=Nc1ccccc1 ZINC000252630115 564123554 /nfs/dbraw/zinc/12/35/54/564123554.db2.gz UUXUGWBQIZIXHR-FPJCIRPISA-N 0 0 338.388 3.649 50 30 EHEARN O=C1c2ccccc2C(=O)C1=C1C=CN(CCc2ccccc2)C=C1 ZINC000002337917 564132362 /nfs/dbraw/zinc/13/23/62/564132362.db2.gz PDCIZDAQMGHFNO-UHFFFAOYSA-N 0 0 327.383 3.948 50 30 EHEARN O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1O ZINC000013143830 564133802 /nfs/dbraw/zinc/13/38/02/564133802.db2.gz OOYSLGQXDWEJJM-INIZCTEOSA-N 0 0 340.770 3.686 50 30 EHEARN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cccc(C#N)c2)s1 ZINC000076084963 564133894 /nfs/dbraw/zinc/13/38/94/564133894.db2.gz YLNGCSVUCGPBQD-CYBMUJFWSA-N 0 0 342.468 3.788 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000002395227 564134471 /nfs/dbraw/zinc/13/44/71/564134471.db2.gz CVNOOXRMJQZVNR-SFHVURJKSA-N 0 0 347.370 3.533 50 30 EHEARN C=CCN(Cc1cccc(OC)c1OC)C(=O)Oc1ccccc1 ZINC000002404782 564134618 /nfs/dbraw/zinc/13/46/18/564134618.db2.gz NFKOLNPPIVQWSG-UHFFFAOYSA-N 0 0 327.380 3.891 50 30 EHEARN CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2ccc(C#N)nc2)cc1 ZINC000534668515 564136085 /nfs/dbraw/zinc/13/60/85/564136085.db2.gz RTAXCHJUBOVOQY-HXUWFJFHSA-N 0 0 349.434 3.651 50 30 EHEARN C[C@H](Nc1ccccc1NC(=O)[C@H]1CN(C)CCO1)c1ccccc1 ZINC000328589850 564136657 /nfs/dbraw/zinc/13/66/57/564136657.db2.gz KKYZKRXOSJGTCV-HNAYVOBHSA-N 0 0 339.439 3.778 50 30 EHEARN COc1cccc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000328589709 564136681 /nfs/dbraw/zinc/13/66/81/564136681.db2.gz MIQANCMTBNSVTD-OAHLLOKOSA-N 0 0 345.830 3.522 50 30 EHEARN O=C(Cc1ccsc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000328592418 564136723 /nfs/dbraw/zinc/13/67/23/564136723.db2.gz BHBMSSRNNWDHFZ-OAHLLOKOSA-N 0 0 328.437 3.817 50 30 EHEARN O=C(NCc1ccc(N2CCCCC2)nc1)[C@@H]1CCc2cccnc21 ZINC000328592712 564136774 /nfs/dbraw/zinc/13/67/74/564136774.db2.gz MYHFXXDPEMAUAT-QGZVFWFLSA-N 0 0 336.439 3.653 50 30 EHEARN CC(C)Oc1ccc(N(C)C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279899392 564141612 /nfs/dbraw/zinc/14/16/12/564141612.db2.gz DMJXDYXJTOELAF-SFHVURJKSA-N 0 0 347.418 3.691 50 30 EHEARN CC(C)c1cc(C(=O)Nc2cccc(C#N)c2)nc(N2CCCCC2)n1 ZINC000096101136 564145259 /nfs/dbraw/zinc/14/52/59/564145259.db2.gz GDEWKSRHSXREBN-UHFFFAOYSA-N 0 0 349.438 3.714 50 30 EHEARN O=C(/C=C\c1ccc(N2CCCC2)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000096130012 564145731 /nfs/dbraw/zinc/14/57/31/564145731.db2.gz BGJGFEKTOBKOJJ-UITAMQMPSA-N 0 0 348.402 3.514 50 30 EHEARN N#Cc1ccc(NC(=O)N(Cc2ccccn2)C2CCCCC2)cn1 ZINC000096148798 564145794 /nfs/dbraw/zinc/14/57/94/564145794.db2.gz RCWAPEDWXUPYTL-UHFFFAOYSA-N 0 0 335.411 3.715 50 30 EHEARN Cc1nn(C(C)(C)C)cc1C(=O)/C=C\c1cc2ccccc2[nH]c1=O ZINC000096298039 564146618 /nfs/dbraw/zinc/14/66/18/564146618.db2.gz YJIZDVMYPASAKS-KTKRTIGZSA-N 0 0 335.407 3.684 50 30 EHEARN COc1ccc(/C=C2/COc3ccccc3C2=O)cc1OC(F)F ZINC000096305138 564146630 /nfs/dbraw/zinc/14/66/30/564146630.db2.gz QUCSHNWKIPZNRI-WQLSENKSSA-N 0 0 332.302 3.955 50 30 EHEARN COc1cccc(C=CC(=O)[C@@H](C#N)c2nc3ccccc3o2)c1OC ZINC000096310764 564146682 /nfs/dbraw/zinc/14/66/82/564146682.db2.gz PTKWMTWNIZLCOI-IWMPZKFUSA-N 0 0 348.358 3.735 50 30 EHEARN C[NH+](C)[C@@H](CNc1oc(-c2ccccc2F)nc1C#N)c1ccco1 ZINC000027988542 564149902 /nfs/dbraw/zinc/14/99/02/564149902.db2.gz XAGZNBYMNPTYBZ-HNNXBMFYSA-N 0 0 340.358 3.660 50 30 EHEARN CCCc1ccc(C#N)c(SCC(=O)Oc2ccc(F)cc2F)n1 ZINC000215681788 564151421 /nfs/dbraw/zinc/15/14/21/564151421.db2.gz WYVGHQHRQMWBGU-UHFFFAOYSA-N 0 0 348.374 3.882 50 30 EHEARN Cc1nccn1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000030697833 564157403 /nfs/dbraw/zinc/15/74/03/564157403.db2.gz HAGWWBKGZRXPLT-UHFFFAOYSA-N 0 0 339.443 3.625 50 30 EHEARN CC(C)N(C)C(=O)c1ccc(CNc2c(F)cc(C#N)cc2F)cc1 ZINC000058282174 564158386 /nfs/dbraw/zinc/15/83/86/564158386.db2.gz JYSJWYDCQSHYEQ-UHFFFAOYSA-N 0 0 343.377 3.929 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004081186 564160395 /nfs/dbraw/zinc/16/03/95/564160395.db2.gz UQVIXFCYKBWZPJ-JESRMXDLSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN Cc1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cs1 ZINC000007995587 564162034 /nfs/dbraw/zinc/16/20/34/564162034.db2.gz UZBAWXNJXLXYPX-SECBINFHSA-N 0 0 331.466 3.691 50 30 EHEARN COC(=O)c1cc(CSc2nc(C)c(C)c(C)c2C#N)oc1C ZINC000008160074 564163250 /nfs/dbraw/zinc/16/32/50/564163250.db2.gz KVRSWBNRBYHGGO-UHFFFAOYSA-N 0 0 330.409 3.859 50 30 EHEARN CC(C)[C@H](NC(=O)CSCC#N)c1cccc(C(F)(F)F)c1 ZINC000069509878 564169982 /nfs/dbraw/zinc/16/99/82/564169982.db2.gz CPBIMMULLYWPPR-AWEZNQCLSA-N 0 0 330.375 3.775 50 30 EHEARN N#Cc1cc(Cl)ccc1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000069894252 564172676 /nfs/dbraw/zinc/17/26/76/564172676.db2.gz SAPMMGWTDAEANV-UHFFFAOYSA-N 0 0 329.787 3.521 50 30 EHEARN Cc1ccc(C2=N/C(=C3\Sc4ccccc4N3CC#N)C(=O)O2)cc1 ZINC000041154931 564173562 /nfs/dbraw/zinc/17/35/62/564173562.db2.gz JBIAYRHVADRPES-VLGSPTGOSA-N 0 0 347.399 3.603 50 30 EHEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCO3)sc2C1 ZINC000000368810 568422631 /nfs/dbraw/zinc/42/26/31/568422631.db2.gz KMILGOZZOHHFHY-SMDDNHRTSA-N 0 0 332.469 3.888 50 30 EHEARN COc1cc(/C=C\c2ccc(C#N)cn2)cc(Br)c1O ZINC000255325560 1021109801 /nfs/dbraw/zinc/10/98/01/1021109801.db2.gz RILMBIGNBXKAHH-RQOWECAXSA-N 0 0 331.169 3.600 50 30 EHEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/C=C/c2ccco2)cc1 ZINC000002967688 1027752669 /nfs/dbraw/zinc/75/26/69/1027752669.db2.gz ZUDMGXJJEZHGFE-AEAXTBIWSA-N 0 0 332.425 3.555 50 30 EHEARN Cc1c(C=NNC(=S)Nc2ccc(C(C)C)cc2)cc(C#N)n1C ZINC000263630086 1028757019 /nfs/dbraw/zinc/75/70/19/1028757019.db2.gz GYIZDUJGLUYRFD-UHFFFAOYSA-N 0 0 339.468 3.649 50 30 EHEARN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCOCC2(CCC2)C1 ZINC000329770429 1040697257 /nfs/dbraw/zinc/69/72/57/1040697257.db2.gz FZZZXRCBKAZZHV-ZDUSSCGKSA-N 0 0 347.846 3.691 50 30 EHEARN C#CCCC1(CCC(=O)Nc2ccc(OC3CCCC3)nc2)N=N1 ZINC000888096490 1043240286 /nfs/dbraw/zinc/24/02/86/1043240286.db2.gz XXRHOHSBRCPDIX-UHFFFAOYSA-N 0 0 326.400 3.697 50 30 EHEARN C#CCCC1(CCC(=O)Nc2ccc(N(C)C(C)C)c(F)c2)N=N1 ZINC000952883708 1137483523 /nfs/dbraw/zinc/48/35/23/1137483523.db2.gz YXPOMRBRMFCMSO-UHFFFAOYSA-N 0 0 330.407 3.965 50 30 EHEARN Cn1cc(C#N)cc1C(=O)N1CCCC[C@H]1CCc1cccs1 ZINC000952965453 1137483897 /nfs/dbraw/zinc/48/38/97/1137483897.db2.gz RXBYUCPZXSULAR-HNNXBMFYSA-N 0 0 327.453 3.586 50 30 EHEARN CCCCCCCCC(=O)NCc1cc(=O)n(-c2ccccc2)n1C ZINC000952993542 1137485094 /nfs/dbraw/zinc/48/50/94/1137485094.db2.gz OMMKMWOJYRCWFV-UHFFFAOYSA-N 0 0 343.471 3.543 50 30 EHEARN Cc1ccccc1NC1=C(N2CCCC2)C(=O)c2ccccc2C1=O ZINC000004706977 210254308 /nfs/dbraw/zinc/25/43/08/210254308.db2.gz LTLUWARAGBIQQE-UHFFFAOYSA-N 0 0 332.403 3.794 50 30 EHEARN C=C(C)COc1ccccc1C(=O)N1CCc2[nH]nc(C(C)C)c2C1 ZINC000055107576 214273728 /nfs/dbraw/zinc/27/37/28/214273728.db2.gz IERHHEDOJXYJOW-UHFFFAOYSA-N 0 0 339.439 3.687 50 30 EHEARN C=CCOc1ccc(CN(C)[C@@H](C)c2ccncn2)c(OCC=C)c1 ZINC000055119180 214277044 /nfs/dbraw/zinc/27/70/44/214277044.db2.gz KFAXYEXTZNRAGJ-INIZCTEOSA-N 0 0 339.439 3.799 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056476911 214375905 /nfs/dbraw/zinc/37/59/05/214375905.db2.gz WOWVTOFZHXAJPY-UHFFFAOYSA-N 0 0 345.742 3.771 50 30 EHEARN COc1cc(C[C@H](C#N)C(=O)Nc2cccc3ccccc32)ccc1O ZINC000057523366 214434025 /nfs/dbraw/zinc/43/40/25/214434025.db2.gz HAPDHMRYRFWSAV-MRXNPFEDSA-N 0 0 346.386 3.875 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OC(F)F)cc1)CO2 ZINC000058192308 214498031 /nfs/dbraw/zinc/49/80/31/214498031.db2.gz IWAUUWVYPHXYKU-WQLSENKSSA-N 0 0 332.302 3.955 50 30 EHEARN Cn1ccnc1SCc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000058282169 214528386 /nfs/dbraw/zinc/52/83/86/214528386.db2.gz YCMMJWIAPXIAAP-UHFFFAOYSA-N 0 0 348.431 3.836 50 30 EHEARN N#Cc1ccc(NCc2cccnc2OCC(F)(F)F)c(F)c1 ZINC000058419130 214580410 /nfs/dbraw/zinc/58/04/10/214580410.db2.gz ULXDHSCFHZNLRT-UHFFFAOYSA-N 0 0 325.265 3.646 50 30 EHEARN C#CC[C@@H](NC(=O)/C=C\c1ccc(Br)o1)c1ccccc1 ZINC000098053169 219074654 /nfs/dbraw/zinc/07/46/54/219074654.db2.gz MJLFJRBYSBTNJK-KUGGDMIFSA-N 0 0 344.208 3.936 50 30 EHEARN COc1ccc2c(c1)oc1c2c(C#N)c(N)c(C#N)c1-c1ccncc1 ZINC000004600602 210231019 /nfs/dbraw/zinc/23/10/19/210231019.db2.gz MLEPCUGXUOCQMR-UHFFFAOYSA-N 0 0 340.342 3.982 50 30 EHEARN COC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C ZINC000004537729 210216606 /nfs/dbraw/zinc/21/66/06/210216606.db2.gz MFJWSPGLVXPINT-UHFFFAOYSA-N 0 0 334.784 3.621 50 30 EHEARN CCOC(=O)c1cc(CC)sc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100998076 219113273 /nfs/dbraw/zinc/11/32/73/219113273.db2.gz ZZYQTYUUVQMFKG-UHFFFAOYSA-N 0 0 349.452 3.741 50 30 EHEARN CCc1ccc(NC(=O)C(O)=CC(=O)c2cccc(OC)c2)cc1 ZINC000101355527 219124446 /nfs/dbraw/zinc/12/44/46/219124446.db2.gz MCAKCKRHMNLSHH-PDGQHHTCSA-N 0 0 325.364 3.521 50 30 EHEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1O ZINC000004247072 210151331 /nfs/dbraw/zinc/15/13/31/210151331.db2.gz NVCYSDPCCJZRTO-QGMBQPNBSA-N 0 0 325.246 3.765 50 30 EHEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1 ZINC000004245987 210151221 /nfs/dbraw/zinc/15/12/21/210151221.db2.gz VPSSTEFJODQSHX-DHZHZOJOSA-N 0 0 341.407 3.675 50 30 EHEARN CCc1ccccc1/N=C1/c2c(cccc2[N+](=O)[O-])C(=O)[C@H]1C(C)=O ZINC000101733418 219159682 /nfs/dbraw/zinc/15/96/82/219159682.db2.gz PAGUEJMIVOWZAG-RJCBAWPRSA-N 0 0 336.347 3.680 50 30 EHEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000003881614 210083047 /nfs/dbraw/zinc/08/30/47/210083047.db2.gz BFZHCUBIASXHPK-QJSKAATBSA-N 0 0 330.468 3.694 50 30 endogenous,in-man EHEARN Cc1cc(C(=O)COc2ccccc2C#N)c(C)n1CC(F)(F)F ZINC000003553383 210052823 /nfs/dbraw/zinc/05/28/23/210052823.db2.gz QUOHXNVVGGSLSE-UHFFFAOYSA-N 0 0 336.313 3.801 50 30 EHEARN CSc1ccc(-c2ccc(=O)n(Cc3ccc(C#N)cc3)n2)cc1 ZINC000044901410 213666988 /nfs/dbraw/zinc/66/69/88/213666988.db2.gz MFAFFWMTMZFOLC-UHFFFAOYSA-N 0 0 333.416 3.552 50 30 EHEARN COc1ccc(C)cc1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000003412193 210032047 /nfs/dbraw/zinc/03/20/47/210032047.db2.gz RMEXVJYSRFWTBX-UHFFFAOYSA-N 0 0 329.787 3.579 50 30 EHEARN Cc1cc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)n1C ZINC000003349521 210015574 /nfs/dbraw/zinc/01/55/74/210015574.db2.gz JZOYZLBWCRHPAJ-UHFFFAOYSA-N 0 0 336.420 3.889 50 30 EHEARN COc1ccc(N[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1Cl ZINC000003347884 210014818 /nfs/dbraw/zinc/01/48/18/210014818.db2.gz KKUUWEBHKUKILH-LLVKDONJSA-N 0 0 329.787 3.659 50 30 EHEARN N#CCSc1nnc(Cc2cccs2)n1CCc1ccccc1 ZINC000003318168 210005982 /nfs/dbraw/zinc/00/59/82/210005982.db2.gz FRSXCVSTNDZYKX-UHFFFAOYSA-N 0 0 340.477 3.789 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)O[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102895686 219238962 /nfs/dbraw/zinc/23/89/62/219238962.db2.gz GHYGNXAFGQNWRY-XUZQSEFNSA-N 0 0 328.751 3.785 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccccc1 ZINC000003199704 209975881 /nfs/dbraw/zinc/97/58/81/209975881.db2.gz XEJRTMXEFCEHRW-QGZVFWFLSA-N 0 0 340.448 3.706 50 30 EHEARN Cc1ccccc1Oc1ncccc1CNC(=O)c1ccc(C#N)cc1 ZINC000067919780 215249695 /nfs/dbraw/zinc/24/96/95/215249695.db2.gz DEAAZEAPOBKYJM-UHFFFAOYSA-N 0 0 343.386 3.984 50 30 EHEARN CCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000103504439 219309546 /nfs/dbraw/zinc/30/95/46/219309546.db2.gz MZCRMUITXLIPTK-CQSZACIVSA-N 0 0 326.783 3.864 50 30 EHEARN CCc1c(C)sc(NC(=O)Cc2noc3ccccc23)c1C#N ZINC000068677778 215327049 /nfs/dbraw/zinc/32/70/49/215327049.db2.gz IJFIHQWQJXAQFH-UHFFFAOYSA-N 0 0 325.393 3.813 50 30 EHEARN N#Cc1ccc(Cn2nc(-c3cccc4ccccc43)ccc2=O)cc1 ZINC000040267618 213285689 /nfs/dbraw/zinc/28/56/89/213285689.db2.gz REVYHYCWDOKCTN-UHFFFAOYSA-N 0 0 337.382 3.983 50 30 EHEARN COc1ccc(Nc2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)cc1 ZINC000000544585 209657626 /nfs/dbraw/zinc/65/76/26/209657626.db2.gz WOQQOWNFDCDACO-UHFFFAOYSA-N 0 0 336.307 3.874 50 30 EHEARN C=CCn1c(N)c(C(=O)OC[C@@H](C)CC)c2nc3ccccc3nc21 ZINC000000526914 209647694 /nfs/dbraw/zinc/64/76/94/209647694.db2.gz SWCSGAIDJDRLNC-LBPRGKRZSA-N 0 0 338.411 3.556 50 30 EHEARN CO/N=C1\C[C@H](C)Cc2nnc(-c3ccc(Br)cc3)cc21 ZINC000035618619 213043160 /nfs/dbraw/zinc/04/31/60/213043160.db2.gz NQKXIUCEXZBZGY-BRPVAOHZSA-N 0 0 346.228 3.839 50 30 EHEARN CO/N=C1\C[C@@H](C)Cc2nnc(-c3ccc(Br)cc3)cc21 ZINC000035618621 213042552 /nfs/dbraw/zinc/04/25/52/213042552.db2.gz NQKXIUCEXZBZGY-VNOKYPNQSA-N 0 0 346.228 3.839 50 30 EHEARN C=Cn1cc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)cn1 ZINC000071757160 215813298 /nfs/dbraw/zinc/81/32/98/215813298.db2.gz SVFDLTFBQAUXMV-UHFFFAOYSA-N 0 0 341.296 3.584 50 30 EHEARN C#CCN1C(=O)S/C(=C\c2ccc(O[C@H](C)CC)c(OC)c2)C1=O ZINC000033286648 212915774 /nfs/dbraw/zinc/91/57/74/212915774.db2.gz WUQXYZBTWNWALK-COOUDCDJSA-N 0 0 345.420 3.542 50 30 EHEARN COc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000032905210 212866332 /nfs/dbraw/zinc/86/63/32/212866332.db2.gz WUXOLZZMDQMOKI-UHFFFAOYSA-N 0 0 328.371 3.742 50 30 EHEARN C[C@H](NC(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000032796145 212844108 /nfs/dbraw/zinc/84/41/08/212844108.db2.gz MTJXNVDNYXLPQS-NSHDSACASA-N 0 0 329.197 3.812 50 30 EHEARN Cc1nc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)ccc1C#N ZINC000071914785 215960590 /nfs/dbraw/zinc/96/05/90/215960590.db2.gz DPFHPNAYCJLGRY-GFCCVEGCSA-N 0 0 327.815 3.618 50 30 EHEARN N#CC1(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)CCCCC1 ZINC000071916161 215963629 /nfs/dbraw/zinc/96/36/29/215963629.db2.gz MCTNHPPCRCQYJG-OAHLLOKOSA-N 0 0 345.418 3.829 50 30 EHEARN N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SC1CCCC1 ZINC000072067768 216002551 /nfs/dbraw/zinc/00/25/51/216002551.db2.gz WZQWAPDYOKNSQD-UHFFFAOYSA-N 0 0 338.436 3.822 50 30 EHEARN COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccco2)cc1 ZINC000000273594 209514165 /nfs/dbraw/zinc/51/41/65/209514165.db2.gz IWCUPWOZOWVODD-FYJGNVAPSA-N 0 0 345.358 3.547 50 30 EHEARN CC(C)(C)c1ccc(/C=N/S(=O)(=O)CCc2ccccc2)cc1 ZINC000000078911 209405734 /nfs/dbraw/zinc/40/57/34/209405734.db2.gz NIXJZAACKILDGI-HMMYKYKNSA-N 0 0 329.465 3.976 50 30 EHEARN Cc1cc(C[C@H](C)n2ccnc2-c2ccc(C#CC(C)(C)O)cc2)n[nH]1 ZINC000072427194 216216996 /nfs/dbraw/zinc/21/69/96/216216996.db2.gz JBBKMRKCSUYUED-INIZCTEOSA-N 0 0 348.450 3.508 50 30 EHEARN CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CCCC2=O ZINC000000067447 209398670 /nfs/dbraw/zinc/39/86/70/209398670.db2.gz KQSFGAZOUKXTRZ-HNNXBMFYSA-N 0 0 349.228 3.542 50 30 EHEARN N#Cc1ccccc1NC(=O)CSc1nc2ccccc2s1 ZINC000000055245 209393583 /nfs/dbraw/zinc/39/35/83/209393583.db2.gz ISVNKHAWCBAIMN-UHFFFAOYSA-N 0 0 325.418 3.899 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(C(F)(F)F)cn1 ZINC000025749952 212496616 /nfs/dbraw/zinc/49/66/16/212496616.db2.gz COYLWDYQFIFPRD-QMTHXVAHSA-N 0 0 345.390 3.635 50 30 EHEARN C=C(Cl)COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C ZINC000022989345 212340669 /nfs/dbraw/zinc/34/06/69/212340669.db2.gz RVNFWZFVLOVEGD-UHFFFAOYSA-N 0 0 341.798 3.853 50 30 EHEARN C#CCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000022609934 212310480 /nfs/dbraw/zinc/31/04/80/212310480.db2.gz UIUQEPBJFJIIMC-UHFFFAOYSA-N 0 0 330.387 3.691 50 30 EHEARN N#Cc1csc(C(=O)N(Cc2ccsc2)c2cccnc2)c1 ZINC000193504668 240193705 /nfs/dbraw/zinc/19/37/05/240193705.db2.gz XMQPFTQDNUXOJF-UHFFFAOYSA-N 0 0 325.418 3.923 50 30 EHEARN N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2c(F)cccc2N2CCC[C@H]21 ZINC000229924834 242215914 /nfs/dbraw/zinc/21/59/14/242215914.db2.gz HYZGUYCLLHUMPU-ICSRJNTNSA-N 0 0 332.382 3.688 50 30 EHEARN COc1ccc(-c2nnc(SCCC#N)n2-c2ccccc2)cc1 ZINC000021085776 212204749 /nfs/dbraw/zinc/20/47/49/212204749.db2.gz DFNJXLIJXYRWIE-UHFFFAOYSA-N 0 0 336.420 3.949 50 30 EHEARN N#Cc1cc2c(nc1NC(=O)c1cc(F)cc3cccnc31)CCCC2 ZINC000242155964 243012514 /nfs/dbraw/zinc/01/25/14/243012514.db2.gz WUTDUQXMWSIHOX-UHFFFAOYSA-N 0 0 346.365 3.772 50 30 EHEARN FC(F)(F)c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020171094 212108661 /nfs/dbraw/zinc/10/86/61/212108661.db2.gz UCWWPUJMPSQTMM-OEAKJJBVSA-N 0 0 347.384 3.857 50 30 EHEARN COCc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OC ZINC000019841161 212073838 /nfs/dbraw/zinc/07/38/38/212073838.db2.gz PTHDCJVIURIFSW-UHFFFAOYSA-N 0 0 337.423 3.626 50 30 EHEARN C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1ccc(O)cc1 ZINC000019825898 212073313 /nfs/dbraw/zinc/07/33/13/212073313.db2.gz OQCKNQIMERPKIZ-QNGOZBTKSA-N 0 0 343.858 3.587 50 30 EHEARN CC1CCN(CC(=O)Nc2sc3c(c2C#N)[C@@H](C)CCC3)CC1 ZINC000019796982 212068501 /nfs/dbraw/zinc/06/85/01/212068501.db2.gz VXADJRVIHVUGGG-ZDUSSCGKSA-N 0 0 331.485 3.730 50 30 EHEARN Cc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000017945760 211975209 /nfs/dbraw/zinc/97/52/09/211975209.db2.gz LUKLIBZSUSGGKU-IFXJQAMLSA-N 0 0 346.390 3.595 50 30 EHEARN CC(C)c1nc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)n(C)n1 ZINC000079049614 217182370 /nfs/dbraw/zinc/18/23/70/217182370.db2.gz HHDWSUAFALHTFI-SECBINFHSA-N 0 0 340.786 3.787 50 30 EHEARN COc1ccc(C(=O)CSc2nc3c(cc2C#N)CCCC3)cc1 ZINC000012580651 211414143 /nfs/dbraw/zinc/41/41/43/211414143.db2.gz ZLMWCFPAERSQAE-UHFFFAOYSA-N 0 0 338.432 3.816 50 30 EHEARN CC(=O)[C@@H]1[C@H](c2ccsc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N21 ZINC000012437158 211381558 /nfs/dbraw/zinc/38/15/58/211381558.db2.gz NHRZDEAKMKXVGO-GBESFXJTSA-N 0 0 345.427 3.738 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2cccc(Cl)c2)C1 ZINC000012323377 211347548 /nfs/dbraw/zinc/34/75/48/211347548.db2.gz DUSRGYVNWBXYGU-CQSZACIVSA-N 0 0 344.802 3.945 50 30 EHEARN COc1ccc(C=CC(=O)C2=CN(C)C(=O)N[C@H]2c2ccccc2)cc1 ZINC000012296861 211335481 /nfs/dbraw/zinc/33/54/81/211335481.db2.gz CUKVVECEIJPVTK-YPNIWSFNSA-N 0 0 348.402 3.558 50 30 biogenic EHEARN C=CCC(=O)N1CCC[C@@](CCCc2ccccc2)(C(=O)OCC)C1 ZINC000011814873 211250036 /nfs/dbraw/zinc/25/00/36/211250036.db2.gz MSXXZGMNSZBFMH-OAQYLSRUSA-N 0 0 343.467 3.757 50 30 EHEARN C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000010808161 211190587 /nfs/dbraw/zinc/19/05/87/211190587.db2.gz PGLQWPBPSZGMEP-FCLDQCEHSA-N 0 0 337.419 3.889 50 30 EHEARN COc1ccc(-c2cc(C(=O)N(C)CCC#N)c3ccccc3n2)cc1 ZINC000009576565 211104289 /nfs/dbraw/zinc/10/42/89/211104289.db2.gz ONCZQIUYKBBBRQ-UHFFFAOYSA-N 0 0 345.402 3.896 50 30 EHEARN Cc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ncnn21 ZINC000009484299 211090345 /nfs/dbraw/zinc/09/03/45/211090345.db2.gz OXFDGCNXRCSJRX-DJJJIMSYSA-N 0 0 346.390 3.595 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 ZINC000009337615 211070678 /nfs/dbraw/zinc/07/06/78/211070678.db2.gz PKXJRHNCVNYHGJ-IBGZPJMESA-N 0 0 348.381 3.968 50 30 EHEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccco3)C2)cc1 ZINC000009332008 211070132 /nfs/dbraw/zinc/07/01/32/211070132.db2.gz JORCBYHFMULZJL-AUUYWEPGSA-N 0 0 346.390 3.595 50 30 EHEARN N#Cc1nnc2ccccc2c1NCc1coc(-c2cccs2)n1 ZINC000095400211 218334257 /nfs/dbraw/zinc/33/42/57/218334257.db2.gz WASHPCCIRUNLPX-UHFFFAOYSA-N 0 0 333.376 3.830 50 30 EHEARN N#Cc1ccc(COC(=O)c2cc(Br)ccc2F)cc1 ZINC000007690524 210832824 /nfs/dbraw/zinc/83/28/24/210832824.db2.gz BBAMYEBDOMUNPS-UHFFFAOYSA-N 0 0 334.144 3.817 50 30 EHEARN COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1O ZINC000007744178 210841034 /nfs/dbraw/zinc/84/10/34/210841034.db2.gz FRHSBLHVZHJTIU-VOTSOKGWSA-N 0 0 345.782 3.909 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000007543046 210812698 /nfs/dbraw/zinc/81/26/98/210812698.db2.gz VFKLUFDHWIFWSX-INIZCTEOSA-N 0 0 349.409 3.878 50 30 EHEARN CCCCNc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N ZINC000007261760 210775067 /nfs/dbraw/zinc/77/50/67/210775067.db2.gz IDJHSXMMPDCAIR-VQHVLOKHSA-N 0 0 327.384 3.946 50 30 EHEARN N#Cc1ccc(/C=C2/N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 ZINC000096635196 218885713 /nfs/dbraw/zinc/88/57/13/218885713.db2.gz MBRTYIAZFCDIMK-OQLLNIDSSA-N 0 0 340.285 3.504 50 30 EHEARN C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000005235741 210420644 /nfs/dbraw/zinc/42/06/44/210420644.db2.gz RFPUUXJRXUXONG-INIZCTEOSA-N 0 0 349.409 3.726 50 30 EHEARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000005108613 210391559 /nfs/dbraw/zinc/39/15/59/210391559.db2.gz XKKGBNWWQAIPND-NSHDSACASA-N 0 0 330.771 3.626 50 30 EHEARN Cc1ccc(C(C)C)c(OCC#CCn2cnc3ccccc3c2=O)c1 ZINC000005065651 210380874 /nfs/dbraw/zinc/38/08/74/210380874.db2.gz HIFARWBQOBXDMC-UHFFFAOYSA-N 0 0 346.430 3.911 50 30 EHEARN COc1cc(/C=N/N(C)c2ccccc2)cc(Br)c1O ZINC000004985188 210349987 /nfs/dbraw/zinc/34/99/87/210349987.db2.gz BUUSMAHXYPGNFN-LICLKQGHSA-N 0 0 335.201 3.634 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cccc(Br)c1 ZINC000004912422 210320355 /nfs/dbraw/zinc/32/03/55/210320355.db2.gz MKBPMWBWRZALSX-GFCCVEGCSA-N 0 0 348.240 3.696 50 30 EHEARN COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3ccccn3)ccc21 ZINC000078411041 257835563 /nfs/dbraw/zinc/83/55/63/257835563.db2.gz LLKQXQAMNLMQTH-GOSISDBHSA-N 0 0 347.418 3.790 50 30 EHEARN C=CC(=O)N[C@H](c1noc(C)n1)c1ccccc1OC(F)(F)F ZINC000328597943 258041871 /nfs/dbraw/zinc/04/18/71/258041871.db2.gz JNKJQYSLQOJQCY-LBPRGKRZSA-N 0 0 327.262 3.509 50 30 EHEARN CCOC(=O)c1c(NC(=O)c2cc(C#N)oc2C)[nH]c2ccccc21 ZINC000328596591 258042296 /nfs/dbraw/zinc/04/22/96/258042296.db2.gz GIWJSUOAYWYRDN-UHFFFAOYSA-N 0 0 337.335 3.754 50 30 EHEARN Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328595740 258042461 /nfs/dbraw/zinc/04/24/61/258042461.db2.gz CWZLBUZTPNEZFE-IEBWSBKVSA-N 0 0 337.423 3.950 50 30 EHEARN CN(Cc1cccc(-c2ccccc2)c1)C(=O)C1(C#N)CCOCC1 ZINC000408515785 257982809 /nfs/dbraw/zinc/98/28/09/257982809.db2.gz DHXGWTGYMSKNSR-UHFFFAOYSA-N 0 0 334.419 3.632 50 30 EHEARN Cn1nc(-c2ccsc2)cc1NC(=O)c1nc2cccnc2s1 ZINC000330032360 258002532 /nfs/dbraw/zinc/00/25/32/258002532.db2.gz MHWCGIXZKJNWRA-UHFFFAOYSA-N 0 0 341.421 3.790 50 30 EHEARN C=CCNC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000013001960 258017189 /nfs/dbraw/zinc/01/71/89/258017189.db2.gz GFGXNDGOGLFQEA-LBPRGKRZSA-N 0 0 339.420 3.673 50 30 EHEARN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O ZINC000000982532 258017342 /nfs/dbraw/zinc/01/73/42/258017342.db2.gz XTEQSNAXSXWQTC-XYOKQWHBSA-N 0 0 339.800 3.580 50 30 EHEARN COc1ccc(CN(C(=O)CC#N)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000170599379 258071125 /nfs/dbraw/zinc/07/11/25/258071125.db2.gz VDSZHHCWVDXVEM-HOCLYGCPSA-N 0 0 330.428 3.525 50 30 EHEARN N#Cc1ccc(N2CCC(C(=O)OC3CCCCCCC3)CC2)nc1 ZINC000058428676 132804010 /nfs/dbraw/zinc/80/40/10/132804010.db2.gz MLORDDFRRWOLKB-UHFFFAOYSA-N 0 0 341.455 3.826 50 30 EHEARN COc1ccc(CN(C(=O)CC#N)[C@H]2CCCC[C@H]2C)cc1OC ZINC000170599377 226640767 /nfs/dbraw/zinc/64/07/67/226640767.db2.gz VDSZHHCWVDXVEM-ZBFHGGJFSA-N 0 0 330.428 3.525 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NCC(=O)NC1CCCCC1 ZINC000069737247 518181508 /nfs/dbraw/zinc/18/15/08/518181508.db2.gz ZFPPYOAKCFRDGC-CQSZACIVSA-N 0 0 331.485 3.799 50 30 EHEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccn1 ZINC000043761260 518466905 /nfs/dbraw/zinc/46/69/05/518466905.db2.gz FWQQWVJTIBYQNG-YBFXNURJSA-N 0 0 339.380 3.949 50 30 EHEARN C=CCN(Cc1ccc(SC)cc1)C(=O)c1cn(CC)nc1C ZINC000055109044 518784315 /nfs/dbraw/zinc/78/43/15/518784315.db2.gz XZTZYBVZMJSCRE-UHFFFAOYSA-N 0 0 329.469 3.762 50 30 EHEARN C=CCn1cc(CN(CCOC)Cc2ccccc2Cl)c(C)n1 ZINC000055358719 519278250 /nfs/dbraw/zinc/27/82/50/519278250.db2.gz UAZVRVDRJXBCLU-UHFFFAOYSA-N 0 0 333.863 3.680 50 30 EHEARN CCc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(OC)cc1OC ZINC000057523430 521901722 /nfs/dbraw/zinc/90/17/22/521901722.db2.gz BVFUAADRNMWMNH-INIZCTEOSA-N 0 0 338.407 3.587 50 30 EHEARN COc1cc(/C=C\C(=O)NC2CCCCCCC2)ccc1OCC#N ZINC000033469955 521980075 /nfs/dbraw/zinc/98/00/75/521980075.db2.gz OTCGZVTXGUGHSP-BENRWUELSA-N 0 0 342.439 3.840 50 30 EHEARN COC(=O)COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000005354403 523219671 /nfs/dbraw/zinc/21/96/71/523219671.db2.gz QVZWSYZRLOUGAY-NYYWCZLTSA-N 0 0 330.767 3.788 50 30 EHEARN COc1ccc(OC)c(/C=C/C(=O)c2ccc(OC)cc2OC)c1 ZINC000004010087 524799402 /nfs/dbraw/zinc/79/94/02/524799402.db2.gz GWMFJTNGHAHFMM-WEVVVXLNSA-N 0 0 328.364 3.617 50 30 biogenic EHEARN COc1ccc([C@@H](CC(=O)c2ccc(N)cc2)C(C#N)C#N)cc1OC ZINC000113480449 525116534 /nfs/dbraw/zinc/11/65/34/525116534.db2.gz LZBFPKPSHGYCGG-RMFUMNGISA-N 0 0 349.390 3.632 50 30 EHEARN Cc1cc(NC(=O)Nc2cc(F)ccc2OC(C)C)nn1CCC#N ZINC000275567521 525204281 /nfs/dbraw/zinc/20/42/81/525204281.db2.gz GJQLJXWWECBHGK-UHFFFAOYSA-N 0 0 345.378 3.676 50 30 EHEARN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSCC#N ZINC000056470157 525383961 /nfs/dbraw/zinc/38/39/61/525383961.db2.gz SOORRABWHORODJ-UHFFFAOYSA-N 0 0 337.404 3.854 50 30 EHEARN Cc1ccc(S(=O)(=O)N(CCC#N)CCCc2ccccc2)cc1 ZINC000003211316 525510921 /nfs/dbraw/zinc/51/09/21/525510921.db2.gz CEJLGROOQASNGM-UHFFFAOYSA-N 0 0 342.464 3.532 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)CCc1cccc(Cl)c1 ZINC000069490586 526446485 /nfs/dbraw/zinc/44/64/85/526446485.db2.gz SAUIHMGNWLXEEY-UHFFFAOYSA-N 0 0 343.814 3.989 50 30 EHEARN N#C[C@H](COC(=O)c1csc(-c2ccoc2)n1)Cc1ccco1 ZINC000095394113 526508837 /nfs/dbraw/zinc/50/88/37/526508837.db2.gz ZZZIWQKIYQNWEC-LLVKDONJSA-N 0 0 328.349 3.535 50 30 EHEARN O=C1N/C(=N\c2ccc(F)cc2)S[C@H]1Cc1cccc(Cl)c1 ZINC000015659939 527043335 /nfs/dbraw/zinc/04/33/35/527043335.db2.gz BZTBRQPKYGDZOX-AWEZNQCLSA-N 0 0 334.803 3.941 50 30 EHEARN O=C(/C=C\c1ccccc1OC(F)F)c1ccc2c(c1)OCCO2 ZINC000033472259 527658633 /nfs/dbraw/zinc/65/86/33/527658633.db2.gz JKFYDQBNPGOIPQ-ALCCZGGFSA-N 0 0 332.302 3.955 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(C)cc1 ZINC000000083829 563219353 /nfs/dbraw/zinc/21/93/53/563219353.db2.gz MCTJQEOPGUGPFG-KRWDZBQOSA-N 0 0 325.339 3.623 50 30 EHEARN Cc1ccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)o1 ZINC000000091710 563222840 /nfs/dbraw/zinc/22/28/40/563222840.db2.gz IGVJUGVCKXSRPU-KEBDBYFISA-N 0 0 335.388 3.909 50 30 EHEARN COc1ccc(/C=N/n2cc(-c3ccc(Cl)cc3)nc2N)cc1 ZINC000000437494 563313286 /nfs/dbraw/zinc/31/32/86/563313286.db2.gz CLTKGVKXXIDAGR-KEBDBYFISA-N 0 0 326.787 3.677 50 30 EHEARN O=C1C[C@@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000613291 563356053 /nfs/dbraw/zinc/35/60/53/563356053.db2.gz CZGUILBJJRAIJG-YPMHNXCESA-N 0 0 341.407 3.892 50 30 EHEARN CC(=O)/C(=C/N1CCCc2cc(C)ccc21)C(=O)Nc1ccccc1 ZINC000002571141 563442570 /nfs/dbraw/zinc/44/25/70/563442570.db2.gz GTGLKLKONOUYHG-RGEXLXHISA-N 0 0 334.419 3.859 50 30 EHEARN N#CCCN(CCC#N)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000002666464 563445490 /nfs/dbraw/zinc/44/54/90/563445490.db2.gz PQOQVMRWFMWAAR-UHFFFAOYSA-N 0 0 331.375 3.784 50 30 EHEARN COc1ccccc1N1CCN(/N=C\c2ccccc2Cl)CC1 ZINC000005052269 563520097 /nfs/dbraw/zinc/52/00/97/563520097.db2.gz GIANWYHENMWNRE-ZHZULCJRSA-N 0 0 329.831 3.505 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NN=C(c1ccc(Br)cc1)C2 ZINC000005190584 563522486 /nfs/dbraw/zinc/52/24/86/563522486.db2.gz BPFWHSDBBPYSOT-UHFFFAOYSA-N 0 0 333.229 3.790 50 30 EHEARN Cc1ncc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)s1 ZINC000187052043 563571090 /nfs/dbraw/zinc/57/10/90/563571090.db2.gz MBDSCZWPUHDPGA-UHFFFAOYSA-N 0 0 329.469 3.776 50 30 EHEARN N#CC1(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)CCCCC1 ZINC000071916160 563620758 /nfs/dbraw/zinc/62/07/58/563620758.db2.gz MCTNHPPCRCQYJG-HNNXBMFYSA-N 0 0 345.418 3.829 50 30 EHEARN Cc1ccc(S(=O)(=O)/N=C/c2c(O)ccc3ccccc23)cc1 ZINC000013130840 563689916 /nfs/dbraw/zinc/68/99/16/563689916.db2.gz WCYGPLQLYOSVIH-XDHOZWIPSA-N 0 0 325.389 3.662 50 30 EHEARN C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000032754456 563727975 /nfs/dbraw/zinc/72/79/75/563727975.db2.gz AKHVIVDQHQCOFB-AWEZNQCLSA-N 0 0 333.391 3.936 50 30 EHEARN N#Cc1ccc(COC(=O)CCc2cnn(-c3ccccc3)c2)c(F)c1 ZINC000032860334 563764987 /nfs/dbraw/zinc/76/49/87/563764987.db2.gz IMKJNZRKMVZMTD-UHFFFAOYSA-N 0 0 349.365 3.559 50 30 EHEARN COc1ccc2[nH]c(SCc3cn4ccccc4c3C#N)nc2c1 ZINC000032871613 563769160 /nfs/dbraw/zinc/76/91/60/563769160.db2.gz GNJVHSFHYRSGRT-UHFFFAOYSA-N 0 0 334.404 3.988 50 30 EHEARN C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)ccc1OC ZINC000060163531 563824813 /nfs/dbraw/zinc/82/48/13/563824813.db2.gz MOWUTXOGLHLKLF-UHFFFAOYSA-N 0 0 331.774 3.763 50 30 EHEARN COc1ccc([C@H]2c3c(C)[nH]nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017945177 563846289 /nfs/dbraw/zinc/84/62/89/563846289.db2.gz WEUWOYRGEJPEHL-KRWDZBQOSA-N 0 0 337.423 3.927 50 30 EHEARN Cc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000018126407 563848974 /nfs/dbraw/zinc/84/89/74/563848974.db2.gz LUKLIBZSUSGGKU-LIRRHRJNSA-N 0 0 346.390 3.595 50 30 EHEARN CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000070020190 563902653 /nfs/dbraw/zinc/90/26/53/563902653.db2.gz JWZJCKCFPBKOGD-UHFFFAOYSA-N 0 0 325.799 3.746 50 30 EHEARN Cc1nc(Cl)cc(N=NCc2ccc(Br)cc2)n1 ZINC000032492047 563913831 /nfs/dbraw/zinc/91/38/31/563913831.db2.gz YHWGSKKBCLQRRX-CHHVJCJISA-N 0 0 325.597 3.647 50 30 EHEARN COc1ccc([C@@H](NC(=O)CC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000119287877 563924679 /nfs/dbraw/zinc/92/46/79/563924679.db2.gz CZEIJXQCNAEQTE-KRWDZBQOSA-N 0 0 348.324 3.833 50 30 EHEARN CCOC(=O)[C@@](C#N)(C/C=C/CCOC)[C@](C)(C#N)c1ccccc1 ZINC000044125022 563926124 /nfs/dbraw/zinc/92/61/24/563926124.db2.gz HDVWKTGMFLOJQL-XXGTVTCJSA-N 0 0 340.423 3.524 50 30 EHEARN N#CC1(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CCCC1 ZINC000058277969 563941374 /nfs/dbraw/zinc/94/13/74/563941374.db2.gz VRDMWQPJKHMTPU-UHFFFAOYSA-N 0 0 339.370 3.713 50 30 EHEARN C[S@@](=O)c1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000096466679 563954261 /nfs/dbraw/zinc/95/42/61/563954261.db2.gz KWYKZRCEYZMALP-QHCPKHFHSA-N 0 0 338.354 3.927 50 30 EHEARN COc1ccc(C)cc1[C@H](CCOS(C)(=O)=O)c1ccccc1 ZINC000085221602 563973741 /nfs/dbraw/zinc/97/37/41/563973741.db2.gz JOIVYXLJSDLFGQ-MRXNPFEDSA-N 0 0 334.437 3.502 50 30 EHEARN C=C[C@H](CC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccccc1 ZINC000095442567 563974935 /nfs/dbraw/zinc/97/49/35/563974935.db2.gz JMHWSGFGASEZSI-OAHLLOKOSA-N 0 0 335.407 3.515 50 30 EHEARN Cc1ccc(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000426412978 563976429 /nfs/dbraw/zinc/97/64/29/563976429.db2.gz OSHZHJNOJWUPOD-UHFFFAOYSA-N 0 0 339.464 3.824 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc([C@@H]3CCCCO3)s1)COCC2 ZINC000071776922 563983087 /nfs/dbraw/zinc/98/30/87/563983087.db2.gz MXVZXTULBBFHOE-AWEZNQCLSA-N 0 0 341.436 3.578 50 30 EHEARN COc1ccc(/N=C\c2cc(Br)ccc2O)c(OC)c1 ZINC000095481361 563983908 /nfs/dbraw/zinc/98/39/08/563983908.db2.gz IHFBXTFRZRNOKT-MFOYZWKCSA-N 0 0 336.185 3.923 50 30 EHEARN CC(C)c1ccc(C#N)c(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 ZINC000534635303 563996715 /nfs/dbraw/zinc/99/67/15/563996715.db2.gz PSMHFXQXOOTBSY-SFHVURJKSA-N 0 0 349.434 3.652 50 30 EHEARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2NCC#N ZINC000061992880 564002871 /nfs/dbraw/zinc/00/28/71/564002871.db2.gz WWGMIWNOEKZCJH-CYQKWTRHSA-N 0 0 330.516 3.872 50 30 biogenic EHEARN CCC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccccc3F)o2)S1 ZINC000006396063 564014014 /nfs/dbraw/zinc/01/40/14/564014014.db2.gz CZGSUYCJYZTZPH-ZROIWOOFSA-N 0 0 344.367 3.582 50 30 EHEARN N#Cc1c(N)n(CCSc2ccccc2)c2nc3ccccc3nc12 ZINC000000499923 564018469 /nfs/dbraw/zinc/01/84/69/564018469.db2.gz OFKNWWXJQIGLBJ-UHFFFAOYSA-N 0 0 345.431 3.831 50 30 EHEARN O=c1[nH][nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O ZINC000018196059 564018679 /nfs/dbraw/zinc/01/86/79/564018679.db2.gz SIPGYFUBVOJYOS-CYBMUJFWSA-N 0 0 349.777 3.934 50 30 EHEARN CC[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000102026857 564019848 /nfs/dbraw/zinc/01/98/48/564019848.db2.gz JUPRPCIZFPLYQG-JOYOIKCWSA-N 0 0 326.368 3.695 50 30 EHEARN CCC(=O)NC1=C(Nc2cccc(C)c2C)C(=O)c2ccccc2C1=O ZINC000102232118 564019932 /nfs/dbraw/zinc/01/99/32/564019932.db2.gz VKHPKZXNFYBVAI-UHFFFAOYSA-N 0 0 348.402 3.532 50 30 EHEARN N#Cc1cccc(/C=C\C(=O)OCc2csc(-c3ccccn3)n2)c1 ZINC000221786281 564023233 /nfs/dbraw/zinc/02/32/33/564023233.db2.gz UTGHVSIQFLEOKW-FPLPWBNLSA-N 0 0 347.399 3.833 50 30 EHEARN C=CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 ZINC000046078501 564029516 /nfs/dbraw/zinc/02/95/16/564029516.db2.gz GIYDBWYJTVGXCV-UHFFFAOYSA-N 0 0 334.419 3.504 50 30 EHEARN C[C@@H](SCc1ccccc1)C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000048286615 564030704 /nfs/dbraw/zinc/03/07/04/564030704.db2.gz PVMMGSNEMTWHNR-MRVPVSSYSA-N 0 0 330.335 3.733 50 30 EHEARN C=C(Br)CNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000049298643 564032707 /nfs/dbraw/zinc/03/27/07/564032707.db2.gz OUNFXUQOWBABCP-UHFFFAOYSA-N 0 0 333.185 3.512 50 30 EHEARN N#CCCN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049750554 564032877 /nfs/dbraw/zinc/03/28/77/564032877.db2.gz BCTQMPCEZSZEHQ-UHFFFAOYSA-N 0 0 326.227 3.558 50 30 EHEARN C=CCNC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 ZINC000033012924 564036388 /nfs/dbraw/zinc/03/63/88/564036388.db2.gz LKIANCKJWRNBAU-UHFFFAOYSA-N 0 0 349.390 3.540 50 30 EHEARN N#Cc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)c[nH]1 ZINC000182320497 564054467 /nfs/dbraw/zinc/05/44/67/564054467.db2.gz GPEMOCHMSPCYFJ-GOSISDBHSA-N 0 0 335.407 3.544 50 30 EHEARN Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CCC#N)cc1 ZINC000012532097 564058306 /nfs/dbraw/zinc/05/83/06/564058306.db2.gz SSFPSXCJQRINRS-HNNXBMFYSA-N 0 0 332.407 3.749 50 30 EHEARN CC(C)(C#N)C(=O)Nc1cc(Br)ccc1Br ZINC000044351908 564060016 /nfs/dbraw/zinc/06/00/16/564060016.db2.gz OJVSDQXSQADRLC-UHFFFAOYSA-N 0 0 346.022 3.700 50 30 EHEARN COC(=O)c1ccc(Sc2nnc(-c3ccccc3)cc2C#N)cc1 ZINC000001387402 564063983 /nfs/dbraw/zinc/06/39/83/564063983.db2.gz VACJALRBTKRZQO-UHFFFAOYSA-N 0 0 347.399 3.953 50 30 EHEARN C=CCn1cc(-c2cn(Cc3oc4ccccc4c3C)nn2)c(C)n1 ZINC000091997395 564065306 /nfs/dbraw/zinc/06/53/06/564065306.db2.gz QBUIMOCFZRVUHN-UHFFFAOYSA-N 0 0 333.395 3.739 50 30 EHEARN C=C(C)CN(CC)C(=O)CNc1cccc(NC(=O)CCC)c1C ZINC000060089466 564065463 /nfs/dbraw/zinc/06/54/63/564065463.db2.gz UUJKMBMGXZJRJM-UHFFFAOYSA-N 0 0 331.460 3.570 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2sccc2OC)cc1 ZINC000079352405 564065741 /nfs/dbraw/zinc/06/57/41/564065741.db2.gz VEGOOSJEALCARD-UHFFFAOYSA-N 0 0 330.409 3.716 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)NC1CCCCC1 ZINC000006728976 564070799 /nfs/dbraw/zinc/07/07/99/564070799.db2.gz IMGGMGOTUYKRLU-UHFFFAOYSA-N 0 0 340.427 3.767 50 30 EHEARN C=CCN(c1ccccc1)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000012813205 564072920 /nfs/dbraw/zinc/07/29/20/564072920.db2.gz QPHSRZXJABGNIW-UHFFFAOYSA-N 0 0 325.433 3.996 50 30 EHEARN C=C[C@H]([C@@H](OC(C)=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000478257 564074599 /nfs/dbraw/zinc/07/45/99/564074599.db2.gz SPXYZLXRNASYAI-MOPGFXCFSA-N 0 0 344.432 3.628 50 30 EHEARN O=C(Nc1ccc(C#Cc2ccc(NC(=O)C3CC3)cc2)cc1)C1CC1 ZINC000001403534 564074710 /nfs/dbraw/zinc/07/47/10/564074710.db2.gz QVRCGWMSPZQEND-UHFFFAOYSA-N 0 0 344.414 3.783 50 30 EHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000002469489 564074853 /nfs/dbraw/zinc/07/48/53/564074853.db2.gz SGIRSEQECONELC-ZDUSSCGKSA-N 0 0 327.355 3.718 50 30 EHEARN COc1cc(C(=O)C=CNc2cccc(C)c2)cc(OC)c1OC ZINC000075261108 564081247 /nfs/dbraw/zinc/08/12/47/564081247.db2.gz FWFCDDULHPYZMD-CMDGGOBGSA-N 0 0 327.380 3.829 50 30 EHEARN CC(=O)c1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)c(F)c1 ZINC000346972421 564082887 /nfs/dbraw/zinc/08/28/87/564082887.db2.gz HUYNBRSOKDQIGU-UHFFFAOYSA-N 0 0 330.746 3.830 50 30 EHEARN Cc1ccc(C[C@@H](C#N)Sc2ccccc2S(C)(=O)=O)cc1 ZINC000118183281 564084250 /nfs/dbraw/zinc/08/42/50/564084250.db2.gz VJWNHZUQCAQNQH-HNNXBMFYSA-N 0 0 331.462 3.626 50 30 EHEARN N#Cc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000006337076 564085214 /nfs/dbraw/zinc/08/52/14/564085214.db2.gz RJTIBODKNVJEHL-NTEUORMPSA-N 0 0 333.778 3.866 50 30 EHEARN N#CCCN(C(=O)c1ccc(F)cn1)C12CC3CC(CC(C3)C1)C2 ZINC000097101954 564086501 /nfs/dbraw/zinc/08/65/01/564086501.db2.gz DTXWSWODVZGFSP-UHFFFAOYSA-N 0 0 327.403 3.545 50 30 EHEARN N#Cc1c[nH]c(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000091045770 564087195 /nfs/dbraw/zinc/08/71/95/564087195.db2.gz OCQFKPWEGZPKOI-UHFFFAOYSA-N 0 0 347.340 3.925 50 30 EHEARN CC(C)Cc1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000026779554 564088906 /nfs/dbraw/zinc/08/89/06/564088906.db2.gz VBILKAKFWXFGRN-UHFFFAOYSA-N 0 0 344.846 3.725 50 30 EHEARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)OCC#N)cc12 ZINC000006550054 564091886 /nfs/dbraw/zinc/09/18/86/564091886.db2.gz SEBUFUBVNIDQGK-UHFFFAOYSA-N 0 0 345.811 3.788 50 30 EHEARN N#CCSCC(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000154644174 564097953 /nfs/dbraw/zinc/09/79/53/564097953.db2.gz VHMBRVVFPZYROD-UHFFFAOYSA-N 0 0 328.441 3.806 50 30 EHEARN N#CCCN(C(=O)c1noc2c1COc1ccccc1-2)c1ccccc1 ZINC000006817342 564098696 /nfs/dbraw/zinc/09/86/96/564098696.db2.gz OQFBPVTXVQZGTL-UHFFFAOYSA-N 0 0 345.358 3.794 50 30 EHEARN COCc1c2ccccc2oc1C(=O)N[C@H](C#N)c1ccccc1F ZINC000065537693 564107262 /nfs/dbraw/zinc/10/72/62/564107262.db2.gz ZQXQRKLSVBKGNE-MRXNPFEDSA-N 0 0 338.338 3.713 50 30 EHEARN CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000013635891 564111832 /nfs/dbraw/zinc/11/18/32/564111832.db2.gz HVFHBRLASUMCCI-XBRYESLDSA-N 0 0 345.399 3.663 50 30 EHEARN CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O ZINC000013635865 564111857 /nfs/dbraw/zinc/11/18/57/564111857.db2.gz ZONLYPIJWOAPRU-CXDOIHPCSA-N 0 0 341.436 3.832 50 30 EHEARN COc1ccc(OCc2nc(C#N)c(N3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000016809921 564113532 /nfs/dbraw/zinc/11/35/32/564113532.db2.gz DXLQVUJDEQIHOW-OKILXGFUSA-N 0 0 341.411 3.616 50 30 EHEARN N#C[C@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccccc1Cl ZINC000252489035 564119439 /nfs/dbraw/zinc/11/94/39/564119439.db2.gz JDWAYDBPBYUCTK-YOEHRIQHSA-N 0 0 338.794 3.781 50 30 EHEARN N#Cc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c[nH]1 ZINC000194057661 564120373 /nfs/dbraw/zinc/12/03/73/564120373.db2.gz CNXRJFJOHGTDHI-GOSISDBHSA-N 0 0 345.406 3.644 50 30 EHEARN CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000007613817 564120960 /nfs/dbraw/zinc/12/09/60/564120960.db2.gz SPMYWNOMTCPUQG-UHFFFAOYSA-N 0 0 345.493 3.631 50 30 EHEARN C#CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCC3 ZINC000002260507 564125339 /nfs/dbraw/zinc/12/53/39/564125339.db2.gz VGYRPDHVINOQKC-UHFFFAOYSA-N 0 0 330.478 3.638 50 30 EHEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)OC3)c1 ZINC000000448791 564133241 /nfs/dbraw/zinc/13/32/41/564133241.db2.gz IJUWSNJYSCAOMA-UHFFFAOYSA-N 0 0 342.420 3.732 50 30 EHEARN CCN(CC)C(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000000614426 564133500 /nfs/dbraw/zinc/13/35/00/564133500.db2.gz KTJXCLXOHNSTBJ-UHFFFAOYSA-N 0 0 325.437 3.581 50 30 EHEARN COc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])cc3C#N)c2c1 ZINC000008703005 564134048 /nfs/dbraw/zinc/13/40/48/564134048.db2.gz LRELYKOZMSLPAJ-UHFFFAOYSA-N 0 0 336.351 3.611 50 30 EHEARN O=C(Nc1nnc(-c2ccsc2)s1)[C@@H]1Cc2ccccc2O1 ZINC000328586749 564136497 /nfs/dbraw/zinc/13/64/97/564136497.db2.gz XCZCFZSLKXEQAI-LBPRGKRZSA-N 0 0 329.406 3.858 50 30 EHEARN C[C@H]1CN(C(=O)Nc2cn(Cc3ccccc3)nn2)[C@@H]1c1ccccc1 ZINC000328587968 564136585 /nfs/dbraw/zinc/13/65/85/564136585.db2.gz KPUYZJUVTJKQRQ-KXBFYZLASA-N 0 0 347.422 3.565 50 30 EHEARN [O-]C(=[NH+]c1ccc(F)c(C2CC2)c1)N1CCC[C@H]1Cn1ccnc1 ZINC000328588966 564136669 /nfs/dbraw/zinc/13/66/69/564136669.db2.gz ZKVQKAOBILOXEB-HNNXBMFYSA-N 0 0 328.391 3.610 50 30 EHEARN C=CCCC(=O)N(CC)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 ZINC000095396138 564139468 /nfs/dbraw/zinc/13/94/68/564139468.db2.gz OSHRFBDRINDNIP-NRFANRHFSA-N 0 0 336.435 3.921 50 30 EHEARN Cc1cc(C(=O)N2CCSCC2)ccc1NCCCC(C)(C)C#N ZINC000095417971 564139772 /nfs/dbraw/zinc/13/97/72/564139772.db2.gz ILHJXQVWRRIEQO-UHFFFAOYSA-N 0 0 345.512 3.926 50 30 EHEARN N#Cc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)c[nH]1 ZINC000095464349 564140904 /nfs/dbraw/zinc/14/09/04/564140904.db2.gz ZWFNGGQQDPFXFH-UHFFFAOYSA-N 0 0 327.434 3.852 50 30 EHEARN O=C(/C=C\c1cc(Br)co1)c1ccc2c(c1)OCCO2 ZINC000096134119 564145780 /nfs/dbraw/zinc/14/57/80/564145780.db2.gz DHEFROIWKSQEJV-IHWYPQMZSA-N 0 0 335.153 3.709 50 30 EHEARN Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 ZINC000096307651 564146673 /nfs/dbraw/zinc/14/66/73/564146673.db2.gz MVVLTZRICNHRNV-YHYXMXQVSA-N 0 0 343.386 3.767 50 30 EHEARN CC[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000030142154 564155474 /nfs/dbraw/zinc/15/54/74/564155474.db2.gz HNQAPZSGUQVVJT-CQSZACIVSA-N 0 0 345.512 3.949 50 30 EHEARN CCN(C(=O)NCc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000058007114 564157071 /nfs/dbraw/zinc/15/70/71/564157071.db2.gz SKEJEMAQMHRHSA-HNNXBMFYSA-N 0 0 337.423 3.860 50 30 EHEARN COc1ccc2[nH]cc(C3=CCN(c4ccc(C#N)cn4)CC3)c2c1 ZINC000058180049 564157948 /nfs/dbraw/zinc/15/79/48/564157948.db2.gz YENJLUUAORKZBJ-UHFFFAOYSA-N 0 0 330.391 3.737 50 30 EHEARN Cn1ccnc1[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000058304969 564158503 /nfs/dbraw/zinc/15/85/03/564158503.db2.gz VIMIOEKTURKGLV-INIZCTEOSA-N 0 0 342.324 3.911 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004082196 564160425 /nfs/dbraw/zinc/16/04/25/564160425.db2.gz JMIZEABJISSYOQ-UCIZGGALSA-N 0 0 330.468 3.935 50 30 biogenic EHEARN CCCC(=O)N[C@@](C)(C#N)CCCSc1nc2ccccc2o1 ZINC000069773966 564172107 /nfs/dbraw/zinc/17/21/07/564172107.db2.gz OIUIXFYXIKCNPZ-QGZVFWFLSA-N 0 0 331.441 3.899 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000069814742 564172361 /nfs/dbraw/zinc/17/23/61/564172361.db2.gz NDVYQWFMMBQKAW-CXAGYDPISA-N 0 0 338.432 3.881 50 30 EHEARN Cn1ncc2c1CC/C(=C\c1csc(-c3cccs3)n1)C2=O ZINC000070040267 564173518 /nfs/dbraw/zinc/17/35/18/564173518.db2.gz RACUIBVHXVPVRR-JXMROGBWSA-N 0 0 327.434 3.818 50 30 EHEARN N#Cc1cccc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000041788389 564174360 /nfs/dbraw/zinc/17/43/60/564174360.db2.gz HLXVYCYKFATHLY-OEIFXAAASA-N 0 0 342.402 3.811 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc(Cl)c1O ZINC000013012672 1015147060 /nfs/dbraw/zinc/14/70/60/1015147060.db2.gz GCHBNOVYRFDPKK-DUXPYHPUSA-N 0 0 330.767 3.885 50 30 EHEARN CCCCCCCC(=O)N1CCC[C@H](C2N=NC(=S)N2CC)C1 ZINC000100992380 1017010624 /nfs/dbraw/zinc/01/06/24/1017010624.db2.gz QVWSSRJGGRMYRL-AWEZNQCLSA-N 0 0 338.521 3.653 50 30 EHEARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1c(Cl)nc2ccccn21 ZINC000255093977 1017531260 /nfs/dbraw/zinc/53/12/60/1017531260.db2.gz KJAZAIVMYVAKGW-TWGQIWQCSA-N 0 0 327.727 3.792 50 30 EHEARN O=[N+]([O-])c1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000033826994 1017707359 /nfs/dbraw/zinc/70/73/59/1017707359.db2.gz IJZWKFOQAQOGDY-IPKBDRFQSA-N 0 0 331.200 3.736 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COc1ccc(C#N)cc1 ZINC000017991877 1021844525 /nfs/dbraw/zinc/84/45/25/1021844525.db2.gz IRQHSMSJCLHEBO-NDENLUEZSA-N 0 0 332.403 3.818 50 30 EHEARN Cn1ncc2c1CC/C(=C\c1ccc(OCc3ccccn3)cc1)C2=O ZINC000084310363 1031443226 /nfs/dbraw/zinc/44/32/26/1031443226.db2.gz YTIYOPCWSLZRGZ-FOWTUZBSSA-N 0 0 345.402 3.607 50 30 EHEARN COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000096759355 1036381036 /nfs/dbraw/zinc/38/10/36/1036381036.db2.gz MPEXPOBPQAMMOR-XQRVVYSFSA-N 0 0 349.289 3.786 50 30 EHEARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccnc(C#N)c2)cc1 ZINC000195117458 1037412349 /nfs/dbraw/zinc/41/23/49/1037412349.db2.gz AXKLFMKVRQJPCC-LJQANCHMSA-N 0 0 335.407 3.719 50 30 EHEARN C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)CC1 ZINC000329380705 1039044561 /nfs/dbraw/zinc/04/45/61/1039044561.db2.gz NQLXIUXJNAIVBS-PVAVHDDUSA-N 0 0 345.491 3.503 50 30 EHEARN Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1C(F)(F)F ZINC000254415625 1039725217 /nfs/dbraw/zinc/72/52/17/1039725217.db2.gz XBGAKWWVAXHMPZ-UHFFFAOYSA-N 0 0 331.297 3.606 50 30 EHEARN COc1cccc(OC)c1C(=O)c1c(C)c(CCC#N)n2ccccc12 ZINC000006848416 1040137297 /nfs/dbraw/zinc/13/72/97/1040137297.db2.gz JOYRAAUICNDJDV-UHFFFAOYSA-N 0 0 348.402 3.952 50 30 EHEARN Cc1noc2ncc(NC(=O)[C@H](C)N3CCc4ccccc4C3)cc12 ZINC000329728371 1040642610 /nfs/dbraw/zinc/64/26/10/1040642610.db2.gz FNRXDANYUDPPGN-ZDUSSCGKSA-N 0 0 336.395 3.566 50 30 EHEARN C#CCCC1(CCC(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)N=N1 ZINC000888096470 1043240685 /nfs/dbraw/zinc/24/06/85/1043240685.db2.gz WOUAWWPUQGEZMJ-QGZVFWFLSA-N 0 0 327.384 3.878 50 30 EHEARN CN1C/C(=C/c2ccccc2F)C(=O)/C(=C\c2ccccc2F)C1 ZINC000033744744 1123051026 /nfs/dbraw/zinc/05/10/26/1123051026.db2.gz IQMGGVXXZOIZMN-APGQMXJTSA-N 0 0 325.358 3.946 50 30 EHEARN N#Cc1ccccc1NC1CCN(Cc2ncc(Cl)s2)CC1 ZINC000585116207 1137005968 /nfs/dbraw/zinc/00/59/68/1137005968.db2.gz LENQEPVKJFZMQB-UHFFFAOYSA-N 0 0 332.860 3.745 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC[C@H]2Cc2ccccc2OC)N=N1 ZINC000952879253 1137483174 /nfs/dbraw/zinc/48/31/74/1137483174.db2.gz CJJFFGGMGRHXDA-KRWDZBQOSA-N 0 0 339.439 3.584 50 30 EHEARN C#CCCC1(CCC(=O)Nc2ccc3c(cnn3C(F)F)c2)N=N1 ZINC000952881301 1137483435 /nfs/dbraw/zinc/48/34/35/1137483435.db2.gz MDULJMDHFHFXPL-UHFFFAOYSA-N 0 0 331.326 3.726 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2cc(F)ccc2C)ccc1OCC#N ZINC000003360735 1138093846 /nfs/dbraw/zinc/09/38/46/1138093846.db2.gz LNHWFLRGRQSYSZ-VMPITWQZSA-N 0 0 340.354 3.697 50 30 EHEARN C[C@@H]1c2cccn2CCN1CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000105947145 1139447294 /nfs/dbraw/zinc/44/72/94/1139447294.db2.gz FIZQCHDEEVLNMY-QAIWHXNASA-N 0 0 349.478 3.745 50 30 EHEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2ccc(C)cc2C)c1 ZINC000057523342 214434157 /nfs/dbraw/zinc/43/41/57/214434157.db2.gz VNXXEMZTSHOGCK-MRXNPFEDSA-N 0 0 338.407 3.642 50 30 EHEARN Cc1c(C#N)c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc1C(=O)OC(C)C ZINC000004612009 210231433 /nfs/dbraw/zinc/23/14/33/210231433.db2.gz OVHNDZQFKGKEPT-XQQFMLRXSA-N 0 0 346.452 3.868 50 30 EHEARN Oc1ccccc1CN=Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000004548145 210219336 /nfs/dbraw/zinc/21/93/36/210219336.db2.gz VWJMPCVODOKXNU-HYARGMPZSA-N 0 0 340.386 3.870 50 30 EHEARN COc1cccc([C@H]2CC(=O)C=C(NCc3ccc(F)cc3)C2)c1 ZINC000100150854 219093467 /nfs/dbraw/zinc/09/34/67/219093467.db2.gz SSNPRJXKRCKZOI-MRXNPFEDSA-N 0 0 325.383 3.955 50 30 EHEARN CCNC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000004510945 210208627 /nfs/dbraw/zinc/20/86/27/210208627.db2.gz GZEJGQUYZWHODL-RGVLZGJSSA-N 0 0 347.871 3.737 50 30 EHEARN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(C#N)cs1 ZINC000177061042 231788980 /nfs/dbraw/zinc/78/89/80/231788980.db2.gz NTDPYUYGHSZQBG-IAQYHMDHSA-N 0 0 346.839 3.875 50 30 EHEARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004488250 210201832 /nfs/dbraw/zinc/20/18/32/210201832.db2.gz RVVNIXWPALCFOB-INIZCTEOSA-N 0 0 344.365 3.523 50 30 EHEARN CCOC(=O)c1c(C)c(C)sc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100567006 219101892 /nfs/dbraw/zinc/10/18/92/219101892.db2.gz WNQWXZJXZOJMJX-UHFFFAOYSA-N 0 0 349.452 3.796 50 30 EHEARN CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000004436088 210191914 /nfs/dbraw/zinc/19/19/14/210191914.db2.gz ZODSQSXVPJJHPD-CQSZACIVSA-N 0 0 346.843 3.675 50 30 EHEARN CCn1c2ccccc2nc1SCC(=O)Nc1cccc(C#N)c1 ZINC000004289571 210162013 /nfs/dbraw/zinc/16/20/13/210162013.db2.gz RJTCMMZVYZICKM-UHFFFAOYSA-N 0 0 336.420 3.659 50 30 EHEARN C=CCOc1cccc(/C=N/NC(=S)Nc2cccc(C)c2)c1 ZINC000004231450 210148983 /nfs/dbraw/zinc/14/89/83/210148983.db2.gz KZKDKQSQFXTFCJ-CPNJWEJPSA-N 0 0 325.437 3.880 50 30 EHEARN CC(C)C(=O)[C@@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101635116 219149298 /nfs/dbraw/zinc/14/92/98/219149298.db2.gz STYOFSWJBVDTSG-SECBINFHSA-N 0 0 332.709 3.662 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCCCCCC3)sc2C1 ZINC000003345215 210014945 /nfs/dbraw/zinc/01/49/45/210014945.db2.gz PUNFLPHWYHIZCD-CQSZACIVSA-N 0 0 345.512 3.949 50 30 EHEARN NC(=O)C(C(=O)/C=C/c1c(Cl)cccc1Cl)=C1SCS1 ZINC000003342816 210013637 /nfs/dbraw/zinc/01/36/37/210013637.db2.gz PBNXGQYDNDAMCY-SNAWJCMRSA-N 0 0 346.260 3.710 50 30 EHEARN COc1ccc(CCNc2oc(-c3ccc(OC)cc3)nc2C#N)cc1 ZINC000003242492 209987040 /nfs/dbraw/zinc/98/70/40/209987040.db2.gz FRPGPAQKFFYSJS-UHFFFAOYSA-N 0 0 349.390 3.885 50 30 EHEARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000003232814 209983126 /nfs/dbraw/zinc/98/31/26/209983126.db2.gz WBQXESQYKUWZHC-UHFFFAOYSA-N 0 0 336.391 3.651 50 30 EHEARN N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(Cl)c1 ZINC000103504375 219309480 /nfs/dbraw/zinc/30/94/80/219309480.db2.gz IQYBOSCKGAPVMV-LBPRGKRZSA-N 0 0 333.174 3.955 50 30 EHEARN N#Cc1c(Cl)nsc1NC[C@H](O)c1ccccc1C(F)(F)F ZINC000068998169 215351123 /nfs/dbraw/zinc/35/11/23/215351123.db2.gz JTFLHAXNHCLBHE-JTQLQIEISA-N 0 0 347.749 3.832 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC ZINC000069454908 215426161 /nfs/dbraw/zinc/42/61/61/215426161.db2.gz ZCHAPQUKHVJXAJ-CVEARBPZSA-N 0 0 336.391 3.708 50 30 EHEARN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c[nH]1 ZINC000037499522 213150902 /nfs/dbraw/zinc/15/09/02/213150902.db2.gz AROSKZFHAYCAQN-UHFFFAOYSA-N 0 0 346.228 3.701 50 30 EHEARN C=CCn1c(C(=O)NCC2CC2)cc2sc(Br)cc21 ZINC000037541699 213154726 /nfs/dbraw/zinc/15/47/26/213154726.db2.gz VMWRHTIQPPGMMW-UHFFFAOYSA-N 0 0 339.258 3.791 50 30 EHEARN CCOC(=O)c1sc(NC(=O)c2cc(C)oc2C)c(C#N)c1C ZINC000036686018 213109938 /nfs/dbraw/zinc/10/99/38/213109938.db2.gz QITBQXWKHQTRBO-UHFFFAOYSA-N 0 0 332.381 3.567 50 30 EHEARN O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)C1=COCCO1 ZINC000035586463 213039826 /nfs/dbraw/zinc/03/98/26/213039826.db2.gz XKVOUZJDEINBNU-UHFFFAOYSA-N 0 0 348.167 3.581 50 30 EHEARN CN(CC#N)C(=O)c1ccccc1Oc1cccc(Br)c1 ZINC000072072185 216003417 /nfs/dbraw/zinc/00/34/17/216003417.db2.gz PESNAWHZNKXYFE-UHFFFAOYSA-N 0 0 345.196 3.837 50 30 EHEARN N#Cc1c(-c2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=S ZINC000072332266 216156369 /nfs/dbraw/zinc/15/63/69/216156369.db2.gz DPYHFAHUEIQZNG-MRXNPFEDSA-N 0 0 333.372 3.948 50 30 EHEARN CC(C)c1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1 ZINC000028912718 212644037 /nfs/dbraw/zinc/64/40/37/212644037.db2.gz HFGHMZVUJHQDQO-LFIBNONCSA-N 0 0 326.417 3.864 50 30 EHEARN CCc1ccccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000000132190 209440053 /nfs/dbraw/zinc/44/00/53/209440053.db2.gz ZDBGXXFRPBVPRE-UHFFFAOYSA-N 0 0 335.432 3.575 50 30 EHEARN COc1cc(/C=N/c2ccc(C)c(NC(C)=O)c2)cc(OC)c1OC ZINC000000067002 209398228 /nfs/dbraw/zinc/39/82/28/209398228.db2.gz RICUPWXMQORVHG-RGVLZGJSSA-N 0 0 342.395 3.730 50 30 EHEARN CCOc1cc(/C=C2\COc3ccc(OC)cc3C2=O)ccc1OC ZINC000022958156 212339978 /nfs/dbraw/zinc/33/99/78/212339978.db2.gz KIBKOJRKJDKVEI-NTEUORMPSA-N 0 0 340.375 3.761 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)CO2 ZINC000022958109 212338840 /nfs/dbraw/zinc/33/88/40/212338840.db2.gz INADLFVINDUEAW-IZZDOVSWSA-N 0 0 345.738 3.916 50 30 EHEARN N#Cc1ccccc1-c1ccc(CSc2nc3ncccn3n2)cc1 ZINC000022417370 212296316 /nfs/dbraw/zinc/29/63/16/212296316.db2.gz QBEKPGPWWBORIM-UHFFFAOYSA-N 0 0 343.415 3.955 50 30 EHEARN C=CCN1c2ccccc2S/C(=C/C(=O)N[C@@H](C)C(C)(C)C)C1=O ZINC000022319117 212290032 /nfs/dbraw/zinc/29/00/32/212290032.db2.gz WJMRTUNITHOZAC-HKJJFUAXSA-N 0 0 344.480 3.746 50 30 EHEARN C=CCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000022288878 212287481 /nfs/dbraw/zinc/28/74/81/212287481.db2.gz WZPMAFMIXAIRIG-MKVLZVNKSA-N 0 0 329.446 3.781 50 30 EHEARN C=CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000022204666 212282329 /nfs/dbraw/zinc/28/23/29/212282329.db2.gz MPWVFTYGLDYHJM-CHWSQXEVSA-N 0 0 342.420 3.546 50 30 EHEARN C=CCNc1nc2c3sc4nc(C)cc(C)c4c3[nH]c(=O)c2s1 ZINC000020606909 212153961 /nfs/dbraw/zinc/15/39/61/212153961.db2.gz CNGVOXLDSHFJJB-UHFFFAOYSA-N 0 0 342.449 3.962 50 30 EHEARN COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)n2)cc1 ZINC000019893045 212079907 /nfs/dbraw/zinc/07/99/07/212079907.db2.gz HDWPZPQZJGEZLF-UHFFFAOYSA-N 0 0 345.358 3.607 50 30 EHEARN CC1=C/C(=N\S(=O)(=O)c2ccc(Cl)cc2)C(C(C)C)=CC1=O ZINC000016213304 211890134 /nfs/dbraw/zinc/89/01/34/211890134.db2.gz ZGUHUNRIIOGXOC-OBGWFSINSA-N 0 0 337.828 3.581 50 30 EHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccco2)C1=O ZINC000013285784 211541741 /nfs/dbraw/zinc/54/17/41/211541741.db2.gz LEHWOEMSPKXCLN-KAMYIIQDSA-N 0 0 341.388 3.823 50 30 EHEARN COc1ccccc1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000012808644 211463106 /nfs/dbraw/zinc/46/31/06/211463106.db2.gz YDNDNWGJPLLSJK-LBPRGKRZSA-N 0 0 340.448 3.934 50 30 EHEARN N#Cc1c(NC(=O)COc2cccc(F)c2)sc2c1CCCC2 ZINC000012774476 211451748 /nfs/dbraw/zinc/45/17/48/211451748.db2.gz DHQFCYVQKPQMJE-UHFFFAOYSA-N 0 0 330.384 3.655 50 30 EHEARN Cn1c(=O)c(NC(=O)c2ccccc2Cl)c(-c2ccccc2)n1C ZINC000012427782 211375723 /nfs/dbraw/zinc/37/57/23/211375723.db2.gz BSXFOYOQDQQJGX-UHFFFAOYSA-N 0 0 341.798 3.681 50 30 EHEARN CCCCc1[nH]c(SCC(=O)Nc2[nH]c(C)c(C)c2C#N)nc1C ZINC000012410912 211372294 /nfs/dbraw/zinc/37/22/94/211372294.db2.gz GYAHGERXZBDXRS-UHFFFAOYSA-N 0 0 345.472 3.608 50 30 EHEARN CC/C(=N\N=C1\S[C@@H](C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000012401985 211369705 /nfs/dbraw/zinc/36/97/05/211369705.db2.gz IOQGCFQJRDDVBG-YKJRZAGSSA-N 0 0 341.436 3.914 50 30 EHEARN C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000012342685 211353319 /nfs/dbraw/zinc/35/33/19/211353319.db2.gz GKUZCZBROCUGLC-XNTDXEJSSA-N 0 0 327.336 3.755 50 30 EHEARN Cc1ccc([C@@H]2Cc3c(C#N)sc([S@@](C)=O)c3C(=O)C2)cc1 ZINC000012367000 211357409 /nfs/dbraw/zinc/35/74/09/211357409.db2.gz HHIOQMNISFTYFQ-IPQOISQHSA-N 0 0 329.446 3.578 50 30 EHEARN C=C(C)COc1ccc2nc(C)n(-c3cccc(OC)c3)c(=O)c2c1 ZINC000012296423 211335565 /nfs/dbraw/zinc/33/55/65/211335565.db2.gz GHTDWSIIUHQMPC-UHFFFAOYSA-N 0 0 336.391 3.658 50 30 biogenic EHEARN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000091651269 218039500 /nfs/dbraw/zinc/03/95/00/218039500.db2.gz RVQAEJJNUGYAJM-LJQANCHMSA-N 0 0 326.396 3.585 50 30 EHEARN Cc1sc(NC(=O)CSc2nc3ccccc3[nH]2)c(C#N)c1C ZINC000009864364 211129261 /nfs/dbraw/zinc/12/92/61/211129261.db2.gz MJRQUHFESNMOTB-UHFFFAOYSA-N 0 0 342.449 3.844 50 30 EHEARN C[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cccnc2)C1 ZINC000009014803 211031260 /nfs/dbraw/zinc/03/12/60/211031260.db2.gz KMBGWGWUZNJAPT-BUXKBTBVSA-N 0 0 330.391 3.699 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2o1 ZINC000008924806 211018306 /nfs/dbraw/zinc/01/83/06/211018306.db2.gz JOBVRDGQSSLDNU-OAHLLOKOSA-N 0 0 337.832 3.628 50 30 EHEARN Cc1cc(C)c(NC(=O)CN(C)Cc2cc(C#N)ccc2F)c(C)c1 ZINC000008923907 211018112 /nfs/dbraw/zinc/01/81/12/211018112.db2.gz DREFRDNJHGZRJS-UHFFFAOYSA-N 0 0 339.414 3.693 50 30 EHEARN N#C[C@H](NC(=O)CCC1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000095403536 218338431 /nfs/dbraw/zinc/33/84/31/218338431.db2.gz LVNBBTMKNFXSMH-HNNXBMFYSA-N 0 0 341.238 3.881 50 30 EHEARN Cc1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 ZINC000095433594 218376427 /nfs/dbraw/zinc/37/64/27/218376427.db2.gz FLGGVNVMOGDZLI-UHFFFAOYSA-N 0 0 349.341 3.649 50 30 EHEARN C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000008104725 210895784 /nfs/dbraw/zinc/89/57/84/210895784.db2.gz HDQYAOBJOKZJSA-CYBMUJFWSA-N 0 0 342.351 3.566 50 30 EHEARN COc1ccc(CCN(C)c2cccc(Cl)c2C#N)cc1OC ZINC000006821813 210722463 /nfs/dbraw/zinc/72/24/63/210722463.db2.gz NQIXTIAYZXICHZ-UHFFFAOYSA-N 0 0 330.815 3.908 50 30 EHEARN CSc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1 ZINC000005911763 210559664 /nfs/dbraw/zinc/55/96/64/210559664.db2.gz JZTBYVBXVJFDPU-VCHYOVAHSA-N 0 0 344.440 3.977 50 30 EHEARN C=CCNC(=S)N(Cc1ccccc1Cl)C1=NC[C@H](C)S1 ZINC000005748665 210528952 /nfs/dbraw/zinc/52/89/52/210528952.db2.gz RIVJXMFNCAMLSX-NSHDSACASA-N 0 0 339.917 3.694 50 30 EHEARN C[C@@H](Sc1nc2ccccc2o1)C(=O)NC1(C#N)CCCCC1 ZINC000005628880 210505025 /nfs/dbraw/zinc/50/50/25/210505025.db2.gz KFEPIMNMYAZMJC-GFCCVEGCSA-N 0 0 329.425 3.651 50 30 EHEARN C=CCN(C(C)=O)[C@H](c1ccccc1)P(=O)(OCC)OCC ZINC000005046803 210374736 /nfs/dbraw/zinc/37/47/36/210374736.db2.gz CLOWQNXIOMJORH-INIZCTEOSA-N 0 0 325.345 3.986 50 30 EHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCC1 ZINC000005010623 210359702 /nfs/dbraw/zinc/35/97/02/210359702.db2.gz DCXRRUVAMQIKBM-UHFFFAOYSA-N 0 0 327.453 3.531 50 30 EHEARN CCCC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000004957427 210338728 /nfs/dbraw/zinc/33/87/28/210338728.db2.gz MOXOHMLBRZMGHQ-LJQANCHMSA-N 0 0 327.424 3.854 50 30 EHEARN C=CCn1c(NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 ZINC000004941652 210332333 /nfs/dbraw/zinc/33/23/33/210332333.db2.gz SDVFHDZTETWZCD-UHFFFAOYSA-N 0 0 341.798 3.893 50 30 EHEARN Cc1cc(N=NCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)n1 ZINC000004812014 210283995 /nfs/dbraw/zinc/28/39/95/210283995.db2.gz UXFWRGAQKCQQHR-XDHOZWIPSA-N 0 0 333.351 3.806 50 30 EHEARN OCC/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000097514881 219032473 /nfs/dbraw/zinc/03/24/73/219032473.db2.gz DQEDHBKCXUFFAL-UDWIEESQSA-N 0 0 325.799 3.604 50 30 EHEARN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1c(F)cc(C#N)cc1F ZINC000267965586 257943642 /nfs/dbraw/zinc/94/36/42/257943642.db2.gz JZMAJMDGKLLORX-QGZVFWFLSA-N 0 0 342.345 3.652 50 30 EHEARN O=C(NCCc1ccsc1)[C@H]1CSC(c2ccccc2O)=N1 ZINC000328597650 258042455 /nfs/dbraw/zinc/04/24/55/258042455.db2.gz IMBFRPZCPUHPMV-CYBMUJFWSA-N 0 0 332.450 3.515 50 30 EHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)CC(C)(C)C ZINC000006697754 258044891 /nfs/dbraw/zinc/04/48/91/258044891.db2.gz OZTQOWVEODUDIT-UHFFFAOYSA-N 0 0 343.427 3.696 50 30 EHEARN C[C@H](CC(=O)Nc1ncc(-c2ccccc2)cn1)N1CCCCC1=O ZINC000330032919 258002323 /nfs/dbraw/zinc/00/23/23/258002323.db2.gz UVGOGVUMRLDITL-CQSZACIVSA-N 0 0 338.411 3.523 50 30 EHEARN CC(C)CCn1ncc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C(C)C ZINC000331098317 258002374 /nfs/dbraw/zinc/00/23/74/258002374.db2.gz DOZWXFHEMWNVMF-GASCZTMLSA-N 0 0 336.480 3.707 50 30 EHEARN CN(C)c1ccccc1NC(=O)NC(C)(C)C(=O)NCC(C)(C)C ZINC000330032154 258002396 /nfs/dbraw/zinc/00/23/96/258002396.db2.gz IXOWNMBUYKQSMM-UHFFFAOYSA-N 0 0 334.464 3.669 50 30 EHEARN Cc1nc(CC(=O)N(CC#Cc2ccccc2)C2CCCC2)cs1 ZINC000065381162 258011623 /nfs/dbraw/zinc/01/16/23/258011623.db2.gz IMGGNBCBILPTDS-UHFFFAOYSA-N 0 0 338.476 3.817 50 30 EHEARN CC(C)(C)c1cc(C(=O)C(C#N)=NNc2cccc(Cl)c2)no1 ZINC000000122874 258047238 /nfs/dbraw/zinc/04/72/38/258047238.db2.gz DXEATJQGQHDURZ-DEDYPNTBSA-N 0 0 330.775 3.800 50 30 in-vitro EHEARN Cc1ccc(C[C@@H](C#N)Sc2nnnn2-c2c(C)cccc2C)cc1 ZINC000007989606 258053498 /nfs/dbraw/zinc/05/34/98/258053498.db2.gz RXBDBNZBJYIRPS-KRWDZBQOSA-N 0 0 349.463 3.815 50 30 EHEARN N#CC1(NC(=O)CNc2ccc(OCc3ccccc3)cc2)CCCC1 ZINC000040162259 258059666 /nfs/dbraw/zinc/05/96/66/258059666.db2.gz AALQJJFIEOBRCK-UHFFFAOYSA-N 0 0 349.434 3.630 50 30 EHEARN C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000068336022 258063352 /nfs/dbraw/zinc/06/33/52/258063352.db2.gz CNNWZFCHPQEMHL-ZANVPECISA-N 0 0 329.787 3.601 50 30 EHEARN COc1ccc(CN2CCN(c3cccc(Cl)c3C#N)CC2)cc1 ZINC000057326825 132199729 /nfs/dbraw/zinc/19/97/29/132199729.db2.gz OUUIDKJCFKZZSS-UHFFFAOYSA-N 0 0 341.842 3.542 50 30 EHEARN C=CCN(C(=O)Cc1nc(-c2ccc(OC)cc2)no1)c1ccccc1 ZINC000020515953 518734926 /nfs/dbraw/zinc/73/49/26/518734926.db2.gz VPODXCDPWOHCPG-UHFFFAOYSA-N 0 0 349.390 3.507 50 30 EHEARN C=CCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)CC ZINC000036106292 518796737 /nfs/dbraw/zinc/79/67/37/518796737.db2.gz OYNGSVFYQMUVQX-UHFFFAOYSA-N 0 0 346.452 3.655 50 30 EHEARN C=CCOC[C@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104114 518994284 /nfs/dbraw/zinc/99/42/84/518994284.db2.gz HGVWLFAXUOVROQ-LJQANCHMSA-N 0 0 347.405 3.531 50 30 EHEARN C=CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007266499 519032792 /nfs/dbraw/zinc/03/27/92/519032792.db2.gz WRBMNXMCTZUWKL-MRXNPFEDSA-N 0 0 349.434 3.582 50 30 EHEARN C=CCn1c(C)cc(C(=O)COc2ncnc3sccc32)c1C ZINC000003496977 519168333 /nfs/dbraw/zinc/16/83/33/519168333.db2.gz MGPINFATQNADKA-UHFFFAOYSA-N 0 0 327.409 3.557 50 30 EHEARN C=CCn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000003906117 519176701 /nfs/dbraw/zinc/17/67/01/519176701.db2.gz ZCLJRNJPPUNQNL-UHFFFAOYSA-N 0 0 337.398 3.724 50 30 EHEARN CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2C)cc1 ZINC000012729406 519979718 /nfs/dbraw/zinc/97/97/18/519979718.db2.gz ZNOTXMHEXHZHTG-JLHYYAGUSA-N 0 0 343.448 3.579 50 30 EHEARN CCOC(=O)C(C)=NNc1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000004699538 520398368 /nfs/dbraw/zinc/39/83/68/520398368.db2.gz LGCKVROEWAFVNU-XDHOZWIPSA-N 0 0 342.351 3.559 50 30 EHEARN CCOC(=O)COc1ccccc1C=NNc1cccc2cccnc21 ZINC000004737956 520808017 /nfs/dbraw/zinc/80/80/17/520808017.db2.gz JJJPUTVNIYSCIN-LPYMAVHISA-N 0 0 349.390 3.623 50 30 EHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccccc2OC)c1C ZINC000008321396 521376189 /nfs/dbraw/zinc/37/61/89/521376189.db2.gz MFENEJBNIDWBNR-ZHACJKMWSA-N 0 0 327.380 3.713 50 30 EHEARN CCOC(=O)c1cccc(NC=C2C(=O)N(c3ccccc3)N=C2C)c1 ZINC000016687908 521535758 /nfs/dbraw/zinc/53/57/58/521535758.db2.gz YDIRRHRXLFUJEZ-KOMLCTQHSA-N 0 0 349.390 3.605 50 30 EHEARN Cn1ccnc1COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 ZINC000044012707 527437307 /nfs/dbraw/zinc/43/73/07/527437307.db2.gz REGUDYSWSXFUDT-NYYWCZLTSA-N 0 0 334.375 3.601 50 30 EHEARN Cc1ccc(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000000196612 563257939 /nfs/dbraw/zinc/25/79/39/563257939.db2.gz JXKOZXNOKJUXPK-UHFFFAOYSA-N 0 0 347.237 3.999 50 30 EHEARN C=CCc1cccc(/C=N\N2CCN(c3ccc(C)cc3)CC2)c1O ZINC000005052671 563520130 /nfs/dbraw/zinc/52/01/30/563520130.db2.gz FSIACVLQEXVBQB-JWGURIENSA-N 0 0 335.451 3.585 50 30 EHEARN Cc1c(C)c2c(c(C)c1O)C[C@]1(C)C(=O)C(C)=C(C)C(=O)[C@]1(C)O2 ZINC000005531653 563537284 /nfs/dbraw/zinc/53/72/84/563537284.db2.gz PHKZIPGAUZGGSV-UXHICEINSA-N 0 0 328.408 3.506 50 30 EHEARN COc1cccc(/C=C/C(=O)c2cc3ccccc3oc2=O)c1OC ZINC000007714689 563611596 /nfs/dbraw/zinc/61/15/96/563611596.db2.gz WSWNSXNFUNGIAB-ZHACJKMWSA-N 0 0 336.343 3.706 50 30 EHEARN CC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccccc1 ZINC000002766647 563613734 /nfs/dbraw/zinc/61/37/34/563613734.db2.gz QRUPUASPVGOUPU-IBGZPJMESA-N 0 0 348.427 3.673 50 30 EHEARN COc1cc(F)ccc1C(=O)/C=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000032646587 563675197 /nfs/dbraw/zinc/67/51/97/563675197.db2.gz NXOAIGURTBLYTI-JYRVWZFOSA-N 0 0 331.730 3.706 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000003030847 563757610 /nfs/dbraw/zinc/75/76/10/563757610.db2.gz CDZYZQRXDDVLME-FLIBITNWSA-N 0 0 340.267 3.836 50 30 EHEARN N#Cc1cc(NC(=O)c2cccc(F)c2)ccc1OCC(F)(F)F ZINC000032930684 563841286 /nfs/dbraw/zinc/84/12/86/563841286.db2.gz JQFLREXWFNQMRZ-UHFFFAOYSA-N 0 0 338.260 3.891 50 30 EHEARN N#C[C@]1(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CCSC1 ZINC000071956995 563854808 /nfs/dbraw/zinc/85/48/08/563854808.db2.gz HBNXYSJTQBAWHO-GOSISDBHSA-N 0 0 340.473 3.643 50 30 EHEARN C#CCCNC(=O)N[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000072282446 563905650 /nfs/dbraw/zinc/90/56/50/563905650.db2.gz QSFBRLWHYAACGQ-LBPRGKRZSA-N 0 0 327.211 3.530 50 30 EHEARN CC(C)C(=O)N1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000071857340 563929030 /nfs/dbraw/zinc/92/90/30/563929030.db2.gz DXIODWIUGCQJCA-UHFFFAOYSA-N 0 0 339.361 3.636 50 30 EHEARN N#CCCn1cc(-c2csc(N3CCOCC3)n2)c2ccccc21 ZINC000057942910 563936101 /nfs/dbraw/zinc/93/61/01/563936101.db2.gz PDFGCKXEFWQQGB-UHFFFAOYSA-N 0 0 338.436 3.515 50 30 EHEARN N#Cc1ccc(C#CCOC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000003129168 563947078 /nfs/dbraw/zinc/94/70/78/563947078.db2.gz XHLPBYGHRKLUGU-UHFFFAOYSA-N 0 0 329.277 3.786 50 30 EHEARN COC(=O)O[C@@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000071769408 563965610 /nfs/dbraw/zinc/96/56/10/563965610.db2.gz ROXJUMSSBTZRCS-ICSRJNTNSA-N 0 0 338.359 3.833 50 30 EHEARN C[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000022333958 563966642 /nfs/dbraw/zinc/96/66/42/563966642.db2.gz LGHACQGXJJMMAX-QGZVFWFLSA-N 0 0 348.450 3.663 50 30 EHEARN N#CCCN(C(=O)c1ccncc1F)C12CC3CC(CC(C3)C1)C2 ZINC000097101973 563967709 /nfs/dbraw/zinc/96/77/09/563967709.db2.gz BVZQKBUCEUDKBW-UHFFFAOYSA-N 0 0 327.403 3.545 50 30 EHEARN N#C[C@@H]1C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12 ZINC000247651461 563980112 /nfs/dbraw/zinc/98/01/12/563980112.db2.gz NNPCLIFHNIPTRX-IPELMVKDSA-N 0 0 345.358 3.592 50 30 EHEARN CSc1ccc(C(=O)[C@H]2CCCN(c3cccc(C#N)n3)C2)cc1 ZINC000071751299 563983011 /nfs/dbraw/zinc/98/30/11/563983011.db2.gz VADAMVJXORUWPJ-HNNXBMFYSA-N 0 0 337.448 3.774 50 30 EHEARN Cc1cc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)ccc1Cl ZINC000071758839 563983059 /nfs/dbraw/zinc/98/30/59/563983059.db2.gz XABZQSLPPSMNDI-UHFFFAOYSA-N 0 0 339.782 3.917 50 30 EHEARN N#Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000014094720 563983185 /nfs/dbraw/zinc/98/31/85/563983185.db2.gz ARBFRQCRLUKEGC-UHFFFAOYSA-N 0 0 344.296 3.565 50 30 EHEARN COc1cc(NC(=O)NCC2CCC(C#N)CC2)ccc1OC(C)C ZINC000408515722 563993006 /nfs/dbraw/zinc/99/30/06/563993006.db2.gz UFDXVOWRVQTRHN-UHFFFAOYSA-N 0 0 345.443 3.934 50 30 EHEARN Cc1cc(C#N)nc(N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000408523805 563993224 /nfs/dbraw/zinc/99/32/24/563993224.db2.gz NPSRBCBSCGIRJH-MRVPVSSYSA-N 0 0 341.724 3.897 50 30 EHEARN N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)c1ccc[nH]1 ZINC000005147267 563994687 /nfs/dbraw/zinc/99/46/87/563994687.db2.gz ADCSPDSSTIUFDR-UHFFFAOYSA-N 0 0 330.343 3.593 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000005629342 564006751 /nfs/dbraw/zinc/00/67/51/564006751.db2.gz QUGOJXUTXXPWSM-MEDUHNTESA-N 0 0 333.482 3.831 50 30 EHEARN N#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCOCC2)cc1C#N ZINC000000128621 564013352 /nfs/dbraw/zinc/01/33/52/564013352.db2.gz XWGOFQFDYYQRKC-UHFFFAOYSA-N 0 0 339.782 3.712 50 30 EHEARN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000062676824 564017731 /nfs/dbraw/zinc/01/77/31/564017731.db2.gz USEGFNYIXSTTND-PWSUYJOCSA-N 0 0 342.301 3.750 50 30 EHEARN CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000018106322 564018056 /nfs/dbraw/zinc/01/80/56/564018056.db2.gz ITAYCPJRRCJTIL-KRWDZBQOSA-N 0 0 331.379 3.942 50 30 EHEARN COc1cc2c(cc1OC)[C@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000018197343 564018707 /nfs/dbraw/zinc/01/87/07/564018707.db2.gz QZZBXQXIAFGNRT-IBGZPJMESA-N 0 0 336.391 3.663 50 30 EHEARN CSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(Cl)c2)o1 ZINC000101093349 564018805 /nfs/dbraw/zinc/01/88/05/564018805.db2.gz WAHYSTYSCZZKBQ-LLVKDONJSA-N 0 0 334.784 3.616 50 30 EHEARN Cc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000000523340 564021144 /nfs/dbraw/zinc/02/11/44/564021144.db2.gz BZFFWJSICIMBOC-UHFFFAOYSA-N 0 0 342.738 3.845 50 30 EHEARN CCOc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2C)c1 ZINC000103556946 564022816 /nfs/dbraw/zinc/02/28/16/564022816.db2.gz NGDYELKEBYDCMX-KRWDZBQOSA-N 0 0 336.391 3.663 50 30 EHEARN Cc1ccc2[nH]c(=NC=C3C(=O)Oc4ccccc4C3=O)sc2c1 ZINC000044827546 564027192 /nfs/dbraw/zinc/02/71/92/564027192.db2.gz KXFBEECEUVFUOR-XFXZXTDPSA-N 0 0 336.372 3.702 50 30 EHEARN O=C1Oc2ccccc2C(=O)C1=CN=c1[nH]c2ccc(F)cc2s1 ZINC000044827549 564027212 /nfs/dbraw/zinc/02/72/12/564027212.db2.gz KREKUSPPZGQQOC-FLIBITNWSA-N 0 0 340.335 3.533 50 30 EHEARN CCCCOc1ccc(C(=O)C=CNc2ccccc2C(N)=O)cc1 ZINC000044843032 564027408 /nfs/dbraw/zinc/02/74/08/564027408.db2.gz XIKNGPWVRRZUQZ-OUKQBFOZSA-N 0 0 338.407 3.773 50 30 EHEARN CC(C)(C)c1csc(CCNC(=O)c2ccc(N=[N+]=[N-])nc2)n1 ZINC000108515186 564028339 /nfs/dbraw/zinc/02/83/39/564028339.db2.gz ROFYWRBDHXVDLQ-UHFFFAOYSA-N 0 0 330.417 3.750 50 30 EHEARN C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 ZINC000046010578 564029141 /nfs/dbraw/zinc/02/91/41/564029141.db2.gz UFPGQOQPSXNZEK-UHFFFAOYSA-N 0 0 327.315 3.564 50 30 EHEARN N#CCCCOc1cccc(NC(=O)NCc2ccccc2F)c1 ZINC000047735110 564029721 /nfs/dbraw/zinc/02/97/21/564029721.db2.gz WWJGDDNZLUFQQC-UHFFFAOYSA-N 0 0 327.359 3.830 50 30 EHEARN Cc1noc(C)c1CNc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000048356404 564031407 /nfs/dbraw/zinc/03/14/07/564031407.db2.gz FFHJNTQADSITKZ-UHFFFAOYSA-N 0 0 325.290 3.716 50 30 EHEARN C#CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000002694761 564033108 /nfs/dbraw/zinc/03/31/08/564033108.db2.gz ZLEBAFONENRYGG-UHFFFAOYSA-N 0 0 326.446 3.789 50 30 EHEARN N#CCCCOc1cccc(NC(=O)[C@@H]2CCCN2c2ccccc2)c1 ZINC000225589146 564048080 /nfs/dbraw/zinc/04/80/80/564048080.db2.gz JMTFLIODMURSDX-FQEVSTJZSA-N 0 0 349.434 3.977 50 30 EHEARN C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1 ZINC000265528324 564053663 /nfs/dbraw/zinc/05/36/63/564053663.db2.gz GAMBJVPAPSGRFO-AWEZNQCLSA-N 0 0 340.448 3.793 50 30 EHEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CCCCC1 ZINC000005874888 564056770 /nfs/dbraw/zinc/05/67/70/564056770.db2.gz SBZGXIRQVVNBKH-UHFFFAOYSA-N 0 0 339.464 3.655 50 30 EHEARN CN1c2ccccc2C(=CNc2sc3c(c2C#N)CCCC3)C1=O ZINC000005982200 564057439 /nfs/dbraw/zinc/05/74/39/564057439.db2.gz NDQFDDZSJUBEBX-PTNGSMBKSA-N 0 0 335.432 3.928 50 30 EHEARN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000366866812 564057461 /nfs/dbraw/zinc/05/74/61/564057461.db2.gz SLMAEVFGJPIWAS-IVJVFBROSA-N 0 0 341.455 3.660 50 30 EHEARN CC(=NS(=O)(=O)c1ccc(C)cc1)Nc1cc(C)c(O)c(C)c1 ZINC000006023443 564057647 /nfs/dbraw/zinc/05/76/47/564057647.db2.gz IVOJRUKYRSKMLQ-UHFFFAOYSA-N 0 0 332.425 3.537 50 30 EHEARN Cc1nn(C(F)F)cc1-c1ccc(C(=O)N2CCC(C#N)CC2)cc1 ZINC000534648735 564061502 /nfs/dbraw/zinc/06/15/02/564061502.db2.gz OJKJPKDQTMBEAK-UHFFFAOYSA-N 0 0 344.365 3.629 50 30 EHEARN N#Cc1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)Cl ZINC000002766613 564062564 /nfs/dbraw/zinc/06/25/64/564062564.db2.gz DMZSGQCIHNITHM-RYUDHWBXSA-N 0 0 326.709 3.823 50 30 EHEARN C#CCN(CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc(C)cc1 ZINC000057992978 564065219 /nfs/dbraw/zinc/06/52/19/564065219.db2.gz PLRKOUOAJCYGJN-UHFFFAOYSA-N 0 0 344.817 3.861 50 30 EHEARN C=CCn1c(SCc2nc(C)c(C)o2)nc2ccsc2c1=O ZINC000058177621 564065260 /nfs/dbraw/zinc/06/52/60/564065260.db2.gz KBNXRJXFRCBVKM-UHFFFAOYSA-N 0 0 333.438 3.541 50 30 EHEARN COc1ccc2cc(C(=O)OCc3cn4ccccc4c3C#N)[nH]c2c1 ZINC000083970307 564065450 /nfs/dbraw/zinc/06/54/50/564065450.db2.gz VRDBQOIIUMOKCF-UHFFFAOYSA-N 0 0 345.358 3.658 50 30 EHEARN Cc1sc2[nH]c([C@H](C)Nc3ccc(CC#N)cc3)nc(=O)c2c1C ZINC000012743496 564065565 /nfs/dbraw/zinc/06/55/65/564065565.db2.gz XDERMPXHXCWWBZ-NSHDSACASA-N 0 0 338.436 3.841 50 30 EHEARN CCN(C(=O)COc1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC000006051581 564073074 /nfs/dbraw/zinc/07/30/74/564073074.db2.gz MYYOEVGXIJSSOT-UHFFFAOYSA-N 0 0 338.451 3.754 50 30 EHEARN C[C@H](Sc1ncnc2sccc21)C(=O)Nc1ccccc1C#N ZINC000006115509 564074414 /nfs/dbraw/zinc/07/44/14/564074414.db2.gz LROJEYNSSVMODK-JTQLQIEISA-N 0 0 340.433 3.682 50 30 EHEARN CC(C)c1nnc(SCCOc2ccc(C#N)cc2)n1C1CC1 ZINC000012913896 564077992 /nfs/dbraw/zinc/07/79/92/564077992.db2.gz LXNSCNQBWCRQAV-UHFFFAOYSA-N 0 0 328.441 3.779 50 30 EHEARN N#C[C@@H]1C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]12 ZINC000016039172 564079462 /nfs/dbraw/zinc/07/94/62/564079462.db2.gz NNPCLIFHNIPTRX-ZYSHUDEJSA-N 0 0 345.358 3.592 50 30 EHEARN Cc1nc(SCC(=O)Nc2cccc(C#N)c2)n(CC(C)C)c1C ZINC000006586783 564092284 /nfs/dbraw/zinc/09/22/84/564092284.db2.gz CDXSCBWNAUCSEK-UHFFFAOYSA-N 0 0 342.468 3.758 50 30 EHEARN CCc1ccc(CN2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 ZINC000064838230 564096772 /nfs/dbraw/zinc/09/67/72/564096772.db2.gz BKXUPCCMSQDWNR-UHFFFAOYSA-N 0 0 349.459 3.571 50 30 EHEARN CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000065521679 564106850 /nfs/dbraw/zinc/10/68/50/564106850.db2.gz IAYDIBSRBAFELQ-UHFFFAOYSA-N 0 0 331.778 3.692 50 30 EHEARN COc1cc(CCC(=O)OCCCC(C)(C)C#N)cc(OC)c1OC ZINC000170615743 564110021 /nfs/dbraw/zinc/11/00/21/564110021.db2.gz UOXFTXGECDSFEF-UHFFFAOYSA-N 0 0 349.427 3.518 50 30 EHEARN CC(NC(=O)NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000002871675 564117060 /nfs/dbraw/zinc/11/70/60/564117060.db2.gz UJXGYVDYFGGQMJ-UHFFFAOYSA-N 0 0 332.219 3.508 50 30 EHEARN C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=O ZINC000002877289 564117108 /nfs/dbraw/zinc/11/71/08/564117108.db2.gz UYJKVGOLFBEDNW-UHFFFAOYSA-N 0 0 327.336 3.594 50 30 EHEARN CC(=NOCC(=O)N(C)C1CCC(C)CC1)c1sc(C)nc1C ZINC000252517999 564120300 /nfs/dbraw/zinc/12/03/00/564120300.db2.gz WXBBUKLDTCEMMT-UHFFFAOYSA-N 0 0 337.489 3.538 50 30 EHEARN CC(C)(C)c1cnc(CCC(=O)N[C@@H](C#N)c2ccccc2Cl)o1 ZINC000193829896 564120337 /nfs/dbraw/zinc/12/03/37/564120337.db2.gz YYRVABFXSFKQHK-AWEZNQCLSA-N 0 0 345.830 3.939 50 30 EHEARN C=CCOc1ccc(-c2nnc(SCc3cccc(N)n3)o2)cc1 ZINC000194557420 564121649 /nfs/dbraw/zinc/12/16/49/564121649.db2.gz QJPWYGKSUYLVNU-UHFFFAOYSA-N 0 0 340.408 3.571 50 30 EHEARN CCON=C(C)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O ZINC000252621396 564122858 /nfs/dbraw/zinc/12/28/58/564122858.db2.gz MXOMUMOMHJRQRL-UHFFFAOYSA-N 0 0 328.412 3.601 50 30 EHEARN C=CCc1cccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O ZINC000252624003 564123113 /nfs/dbraw/zinc/12/31/13/564123113.db2.gz PECVJESIQKSBTF-UHFFFAOYSA-N 0 0 347.418 3.669 50 30 EHEARN Cn1ccnc1Sc1ccccc1NC(=O)c1cccc(CC#N)c1 ZINC000195342278 564123252 /nfs/dbraw/zinc/12/32/52/564123252.db2.gz SACCIJZKGAPINV-UHFFFAOYSA-N 0 0 348.431 3.890 50 30 EHEARN Cc1sc(NC(=S)NC(=O)c2ccc(C)cc2)c(C#N)c1C ZINC000000557860 564133391 /nfs/dbraw/zinc/13/33/91/564133391.db2.gz YATSCDMFZLFOOF-UHFFFAOYSA-N 0 0 329.450 3.672 50 30 EHEARN C=CCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000007949301 564135525 /nfs/dbraw/zinc/13/55/25/564135525.db2.gz MCFAFEIWGKYJNO-UHFFFAOYSA-N 0 0 329.400 3.509 50 30 EHEARN COc1ccccc1-c1cc(COC(=O)c2cccc(C#N)c2)on1 ZINC000012813835 564135634 /nfs/dbraw/zinc/13/56/34/564135634.db2.gz KWSURJRYCDRBKY-UHFFFAOYSA-N 0 0 334.331 3.579 50 30 EHEARN Cc1nc(CCC(=O)[C@H](C#N)c2ccccn2)oc1-c1ccccc1 ZINC000078611931 564136422 /nfs/dbraw/zinc/13/64/22/564136422.db2.gz URWLDSRBIVDJFU-MRXNPFEDSA-N 0 0 331.375 3.854 50 30 EHEARN Cc1c2ccccc2oc1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000328587568 564136546 /nfs/dbraw/zinc/13/65/46/564136546.db2.gz BLNRRHINJHMOJX-UHFFFAOYSA-N 0 0 338.411 3.758 50 30 EHEARN Cc1cc(C)nc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000328594177 564136798 /nfs/dbraw/zinc/13/67/98/564136798.db2.gz WYLFBOKMFFDROV-INIZCTEOSA-N 0 0 338.411 3.647 50 30 EHEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccco1 ZINC000095953622 564142418 /nfs/dbraw/zinc/14/24/18/564142418.db2.gz AHYYGNPXNXWPGP-AWEZNQCLSA-N 0 0 343.452 3.744 50 30 EHEARN COC(=O)c1sc2ncc(C(=O)/C=C\c3cccnc3)cc2c1C ZINC000096158031 564145808 /nfs/dbraw/zinc/14/58/08/564145808.db2.gz MPAYWURSYMQJQK-WAYWQWQTSA-N 0 0 338.388 3.682 50 30 EHEARN CS(=O)(=O)/C(=C/c1ccccc1Cl)C(=O)c1ccccc1F ZINC000096295440 564146562 /nfs/dbraw/zinc/14/65/62/564146562.db2.gz AQRMRMWMEDMNKZ-XNTDXEJSSA-N 0 0 338.787 3.748 50 30 EHEARN Cc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc(C)c1O ZINC000096313903 564146718 /nfs/dbraw/zinc/14/67/18/564146718.db2.gz PKARWYUXWTUHAC-SREVYHEPSA-N 0 0 337.375 3.862 50 30 EHEARN O=C1c2ccc(O)cc2CC/C1=C/c1cnn(Cc2ccccc2)c1 ZINC000096402133 564147104 /nfs/dbraw/zinc/14/71/04/564147104.db2.gz JEHRYXSQSUQUGC-ZDLGFXPLSA-N 0 0 330.387 3.850 50 30 EHEARN Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C)C#N)cccc2c1=O ZINC000002630009 564151440 /nfs/dbraw/zinc/15/14/40/564151440.db2.gz QZBXAWSVFQABEE-GFCCVEGCSA-N 0 0 333.343 3.837 50 30 EHEARN COc1ccc([C@H](Nc2cccc(F)c2C#N)c2nccn2C)cc1 ZINC000028620622 564151924 /nfs/dbraw/zinc/15/19/24/564151924.db2.gz IUNFELLGJBSFAI-SFHVURJKSA-N 0 0 336.370 3.641 50 30 EHEARN N#Cc1c2c(sc1NC(=O)c1ccnn1C(F)F)CCCCC2 ZINC000002779047 564152556 /nfs/dbraw/zinc/15/25/56/564152556.db2.gz MXADSWRDPLHKHJ-UHFFFAOYSA-N 0 0 336.367 3.733 50 30 EHEARN CCN(/C=C/C(=O)c1cc(Cl)cc(Cl)c1)Cc1nonc1C ZINC000002790045 564152660 /nfs/dbraw/zinc/15/26/60/564152660.db2.gz DQCORKDOZTYBOH-SNAWJCMRSA-N 0 0 340.210 3.903 50 30 EHEARN COc1ccc(-c2ccc(C#N)c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000003128355 564155327 /nfs/dbraw/zinc/15/53/27/564155327.db2.gz WJFAKMGIUCHQLC-UHFFFAOYSA-N 0 0 334.350 3.583 50 30 EHEARN N#Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000003263469 564156777 /nfs/dbraw/zinc/15/67/77/564156777.db2.gz FCRQFGSABWGBPJ-UHFFFAOYSA-N 0 0 349.173 3.661 50 30 EHEARN N#Cc1cccc(Cc2cnc(NC(=O)CC[C@H]3CCCO3)s2)c1 ZINC000031925290 564160215 /nfs/dbraw/zinc/16/02/15/564160215.db2.gz XNIZAYOKLPCFIZ-OAHLLOKOSA-N 0 0 341.436 3.503 50 30 EHEARN Cc1cc(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc12 ZINC000008618031 564166106 /nfs/dbraw/zinc/16/61/06/564166106.db2.gz DQGIGOWXHHWLKO-SFHVURJKSA-N 0 0 327.453 3.690 50 30 EHEARN CC(=O)c1cccc(O[C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000068902247 564167807 /nfs/dbraw/zinc/16/78/07/564167807.db2.gz QKKVPCNTRICKCN-BBRMVZONSA-N 0 0 348.358 3.674 50 30 EHEARN CC(C)[C@@H](NC(=O)CSCC#N)c1cccc(C(F)(F)F)c1 ZINC000069509880 564169986 /nfs/dbraw/zinc/16/99/86/564169986.db2.gz CPBIMMULLYWPPR-CQSZACIVSA-N 0 0 330.375 3.775 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)c1ccc2ccccc2n1 ZINC000069559022 564170406 /nfs/dbraw/zinc/17/04/06/564170406.db2.gz WKCUVFNALAYALB-UHFFFAOYSA-N 0 0 332.363 3.565 50 30 EHEARN C[C@H](NC(=O)COc1ccccc1C#N)c1nc(C(C)(C)C)cs1 ZINC000069660168 564171327 /nfs/dbraw/zinc/17/13/27/564171327.db2.gz OKCYNXBYGXZDDK-LBPRGKRZSA-N 0 0 343.452 3.568 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000069814743 564172336 /nfs/dbraw/zinc/17/23/36/564172336.db2.gz NDVYQWFMMBQKAW-SUMWQHHRSA-N 0 0 338.432 3.881 50 30 EHEARN N#Cc1ccc(S[C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000069841058 564172425 /nfs/dbraw/zinc/17/24/25/564172425.db2.gz DGDFMLSUUPDGSA-AWEZNQCLSA-N 0 0 347.237 3.639 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 ZINC000069981060 564173101 /nfs/dbraw/zinc/17/31/01/564173101.db2.gz POZZXEJTRBLRSN-MRXNPFEDSA-N 0 0 340.354 3.507 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@]12c1cc(C(C)C)ccc1NC2=O ZINC000041863764 564174417 /nfs/dbraw/zinc/17/44/17/564174417.db2.gz GABUAGLORQUCTE-OAQYLSRUSA-N 0 0 347.418 3.669 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC(OCCc2ccccc2)CC1 ZINC000071836867 564175803 /nfs/dbraw/zinc/17/58/03/564175803.db2.gz PYPIMPYRNMXWEL-UHFFFAOYSA-N 0 0 347.871 3.896 50 30 EHEARN C[C@H]1c2ccccc2CN1C(=O)NCc1cccc2c1OCCCO2 ZINC000329321086 1025753669 /nfs/dbraw/zinc/75/36/69/1025753669.db2.gz GNLCMGBXTZRPQB-AWEZNQCLSA-N 0 0 338.407 3.839 50 30 EHEARN N#Cc1cccc(OC2CCN(c3ccc(Cl)c(C#N)n3)CC2)c1 ZINC000267213645 1031284470 /nfs/dbraw/zinc/28/44/70/1031284470.db2.gz MIIVDWPEHHAWED-UHFFFAOYSA-N 0 0 338.798 3.526 50 30 EHEARN CCn1ccnc1[C@H](NC(=O)[C@@H]1Cc2ccccc21)C1CCOCC1 ZINC000328996184 1037799474 /nfs/dbraw/zinc/79/94/74/1037799474.db2.gz GOSOZNOPUCSDIW-QZTJIDSGSA-N 0 0 339.439 3.667 50 30 EHEARN COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)ccc1OC(F)F ZINC000014240801 1038721634 /nfs/dbraw/zinc/72/16/34/1038721634.db2.gz BREJAJOZIYDLAE-CHHVJCJISA-N 0 0 334.274 3.618 50 30 EHEARN CCOc1cccc(C=NN2CC(c3ccccc3)=NC2=S)c1O ZINC000254383203 1039422563 /nfs/dbraw/zinc/42/25/63/1039422563.db2.gz CVUULBDEYUMTRC-UHFFFAOYSA-N 0 0 339.420 3.825 50 30 EHEARN FC(F)(F)c1ccccc1NC(=S)NN=C1C[C@@H]2CC=C[C@@H]12 ZINC000254760841 1041155577 /nfs/dbraw/zinc/15/55/77/1041155577.db2.gz KEWKHWSOEKBVJT-VHSXEESVSA-N 0 0 325.359 3.944 50 30 EHEARN N#Cc1c(NC(=O)COc2ccccc2F)sc2c1CCCC2 ZINC000007167343 1128853739 /nfs/dbraw/zinc/85/37/39/1128853739.db2.gz XCZVVAFDLKUHEO-UHFFFAOYSA-N 0 0 330.384 3.655 50 30 EHEARN N#Cc1ccc(-n2nccc2NC(=O)/C=C\c2ccccc2F)cc1 ZINC000733114578 1121736505 /nfs/dbraw/zinc/73/65/05/1121736505.db2.gz RVKNWFDSUIHSNW-YFHOEESVSA-N 0 0 332.338 3.535 50 30 EHEARN N#Cc1ccccc1NC1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000585128677 1137018431 /nfs/dbraw/zinc/01/84/31/1137018431.db2.gz JYNJEYGGGJBAEJ-UHFFFAOYSA-N 0 0 335.407 3.745 50 30 EHEARN C#CCCC1(CCC(=O)N2CC3(CCC3)c3c2cccc3F)N=N1 ZINC000952881518 1137483421 /nfs/dbraw/zinc/48/34/21/1137483421.db2.gz PGNRCLJRYORVRM-UHFFFAOYSA-N 0 0 325.387 3.950 50 30 EHEARN C#CCCC1(CCC(=O)NCC2(c3ccccc3F)CCC2)N=N1 ZINC000952881399 1137483423 /nfs/dbraw/zinc/48/34/23/1137483423.db2.gz MTCJLCIAASFZLY-UHFFFAOYSA-N 0 0 327.403 3.719 50 30 EHEARN N#Cc1ccccc1Oc1nc2cc3c(cc2nc1Cl)OCCO3 ZINC000024990561 1137967408 /nfs/dbraw/zinc/96/74/08/1137967408.db2.gz ORCIANLYBWBCLJ-UHFFFAOYSA-N 0 0 339.738 3.718 50 30 EHEARN CCCO/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003123829 1138077397 /nfs/dbraw/zinc/07/73/97/1138077397.db2.gz ITIPHTUWGBSSTE-FBMGVBCBSA-N 0 0 337.828 3.902 50 30 EHEARN C=CCn1c(C)c(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000004739170 210263814 /nfs/dbraw/zinc/26/38/14/210263814.db2.gz DBRAIEIUDFHPSC-UDWIEESQSA-N 0 0 335.367 3.885 50 30 EHEARN C[C@H](Nc1snc(Cl)c1C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000052360326 214126869 /nfs/dbraw/zinc/12/68/69/214126869.db2.gz DFXOYUUNHTZWML-QMMMGPOBSA-N 0 0 332.816 3.726 50 30 EHEARN CCOc1cc(F)ccc1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000055152883 214280647 /nfs/dbraw/zinc/28/06/47/214280647.db2.gz AMWDNYICXWZRGC-GFCCVEGCSA-N 0 0 327.359 3.535 50 30 EHEARN C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCCC1 ZINC000056153538 214361626 /nfs/dbraw/zinc/36/16/26/214361626.db2.gz MHCDLSVHAYBGID-INIZCTEOSA-N 0 0 349.434 3.560 50 30 EHEARN CCOc1cc(C=NNc2nc3ccccc3[nH]2)cc(Cl)c1O ZINC000004678102 210244912 /nfs/dbraw/zinc/24/49/12/210244912.db2.gz TWBUJLJEHAGNIV-GIJQJNRQSA-N 0 0 330.775 3.767 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000049765653 214032164 /nfs/dbraw/zinc/03/21/64/214032164.db2.gz HXFYSCQNKCJQDQ-UZLBHIALSA-N 0 0 349.434 3.864 50 30 EHEARN CNc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] ZINC000098004194 219068172 /nfs/dbraw/zinc/06/81/72/219068172.db2.gz RKKPXAYGDMAIGO-WQLSENKSSA-N 0 0 342.326 3.824 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000004624827 210233706 /nfs/dbraw/zinc/23/37/06/210233706.db2.gz LELUAAHIYCHVGJ-MRXNPFEDSA-N 0 0 331.437 3.668 50 30 EHEARN COc1cc(C(=O)C=CNc2ccc(C)cc2)cc(OC)c1OC ZINC000004599622 210231014 /nfs/dbraw/zinc/23/10/14/210231014.db2.gz KVCKXZHKVIFNOR-MDZDMXLPSA-N 0 0 327.380 3.829 50 30 EHEARN N#Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1Cl ZINC000004524563 210213822 /nfs/dbraw/zinc/21/38/22/210213822.db2.gz KBPFIXHOYMMYHD-QHHAFSJGSA-N 0 0 326.739 3.592 50 30 EHEARN CCOC(=O)CC(C)N=Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000004505778 210207735 /nfs/dbraw/zinc/20/77/35/210207735.db2.gz TWULMTQMYOZNTI-WOJGMQOQSA-N 0 0 333.413 3.560 50 30 EHEARN CCCC(=O)C1=C(Nc2ccccc2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100318910 219096604 /nfs/dbraw/zinc/09/66/04/219096604.db2.gz OPIZLSIPYCJLOD-KRWDZBQOSA-N 0 0 343.423 3.510 50 30 EHEARN CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004488890 210202529 /nfs/dbraw/zinc/20/25/29/210202529.db2.gz JBNWSJZBROHMPC-OAHLLOKOSA-N 0 0 327.424 3.722 50 30 EHEARN CC1(C)CC(=O)C(=CNCc2cccc(C(F)(F)F)c2)C(=O)C1 ZINC000100439310 219099413 /nfs/dbraw/zinc/09/94/13/219099413.db2.gz YILADBZDLDNGJG-UHFFFAOYSA-N 0 0 325.330 3.637 50 30 EHEARN N#Cc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000004485019 210200156 /nfs/dbraw/zinc/20/01/56/210200156.db2.gz GPWXEBFMNVUEOU-UHFFFAOYSA-N 0 0 342.811 3.819 50 30 EHEARN CCn1c2c(cc(F)cc2F)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100909256 219110945 /nfs/dbraw/zinc/11/09/45/219110945.db2.gz BMPSDOBQFCKRTN-FXBPSFAMSA-N 0 0 343.358 3.614 50 30 EHEARN COc1cc(/C=N/O)c(Br)cc1OCc1ccccc1 ZINC000100983024 219113092 /nfs/dbraw/zinc/11/30/92/219113092.db2.gz HMEUQDIDYJFNBI-RQZCQDPDSA-N 0 0 336.185 3.845 50 30 EHEARN CC(=CC(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000101088315 219116288 /nfs/dbraw/zinc/11/62/88/219116288.db2.gz KGIUNARTUIKFQP-CCEZHUSRSA-N 0 0 340.398 3.861 50 30 EHEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1ccccc1 ZINC000004339615 210174508 /nfs/dbraw/zinc/17/45/08/210174508.db2.gz KGKUOWSOZHXCPL-UYRXBGFRSA-N 0 0 335.403 3.994 50 30 biogenic EHEARN C=CCc1cc([C@H]2CC(=O)Nc3onc(C)c32)cc(OC)c1OCC ZINC000065371050 214876852 /nfs/dbraw/zinc/87/68/52/214876852.db2.gz BYFMPYIRSINRMK-CQSZACIVSA-N 0 0 342.395 3.593 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccccc2Cl)C(C(=O)OCC)=C1C ZINC000101673767 219155081 /nfs/dbraw/zinc/15/50/81/219155081.db2.gz GHPNNJIBIZGMOR-SDNWHVSQSA-N 0 0 331.799 3.589 50 30 EHEARN COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000004079610 210115407 /nfs/dbraw/zinc/11/54/07/210115407.db2.gz PQKVOPAYRHWBRA-UHFFFAOYSA-N 0 0 340.404 3.537 50 30 EHEARN Cc1cc(C)c(C(=O)C=Cc2cccc(Br)c2)c(=O)[nH]1 ZINC000004009473 210100524 /nfs/dbraw/zinc/10/05/24/210100524.db2.gz NOBDLBLSXFEBMD-VOTSOKGWSA-N 0 0 332.197 3.650 50 30 EHEARN CC(=NNc1ccc(C(C)(C)C)cc1)c1ccc(O)c(C(N)=O)c1 ZINC000003908901 210091695 /nfs/dbraw/zinc/09/16/95/210091695.db2.gz ALWAGZPEYALIHD-MTJSOVHGSA-N 0 0 325.412 3.625 50 30 EHEARN COc1cccc(Cc2nnc(SCc3ccc(C#N)cc3)o2)c1 ZINC000066257168 215028680 /nfs/dbraw/zinc/02/86/80/215028680.db2.gz RWUNAXDDNOSRHI-UHFFFAOYSA-N 0 0 337.404 3.833 50 30 EHEARN COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000003355975 210017042 /nfs/dbraw/zinc/01/70/42/210017042.db2.gz JPYCHVFFIGHBMC-UHFFFAOYSA-N 0 0 346.390 3.725 50 30 EHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000003098406 209963745 /nfs/dbraw/zinc/96/37/45/209963745.db2.gz TWYGQHHPMFLTHY-GOSISDBHSA-N 0 0 343.423 3.837 50 30 EHEARN C=CCn1cc(-c2cc(-c3ccccc3OC)nc(N)c2C#N)c(C)n1 ZINC000067833823 215224854 /nfs/dbraw/zinc/22/48/54/215224854.db2.gz OGBPGKXOUZHQOI-UHFFFAOYSA-N 0 0 345.406 3.569 50 30 EHEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SC ZINC000002875612 209933984 /nfs/dbraw/zinc/93/39/84/209933984.db2.gz PNQNSOMHPBZBTO-UHFFFAOYSA-N 0 0 326.421 3.577 50 30 EHEARN Cc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103503614 219308237 /nfs/dbraw/zinc/30/82/37/219308237.db2.gz ZBXBHEJMSJFGQY-AWEZNQCLSA-N 0 0 346.308 3.975 50 30 EHEARN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103504182 219308613 /nfs/dbraw/zinc/30/86/13/219308613.db2.gz XPVVVMQHDXXHMX-CQSZACIVSA-N 0 0 332.281 3.667 50 30 EHEARN N#CCN(/N=N\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000103631038 219318452 /nfs/dbraw/zinc/31/84/52/219318452.db2.gz UEXCVZGIFAIUKO-MSUUIHNZSA-N 0 0 326.272 3.532 50 30 EHEARN N#CCOc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1 ZINC000040553431 213347717 /nfs/dbraw/zinc/34/77/17/213347717.db2.gz SINAZPPKUARBAW-UHFFFAOYSA-N 0 0 325.755 3.976 50 30 EHEARN N#CCOc1cccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c1 ZINC000040122439 213270287 /nfs/dbraw/zinc/27/02/87/213270287.db2.gz XYNZXCUWCKHAMN-RMKNXTFCSA-N 0 0 344.317 3.842 50 30 EHEARN C=CCn1c(C(=O)NC2CC2)cc2sc(Br)cc21 ZINC000037541949 213154399 /nfs/dbraw/zinc/15/43/99/213154399.db2.gz AIXRIFCJEYYAQU-UHFFFAOYSA-N 0 0 325.231 3.544 50 30 EHEARN Cc1nc2ccccc2c(=O)n1/N=C/c1c(Cl)cccc1Cl ZINC000000472896 209623384 /nfs/dbraw/zinc/62/33/84/209623384.db2.gz ARWVLZJNQWRTNK-DJKKODMXSA-N 0 0 332.190 3.894 50 30 EHEARN Cc1ccc(-c2nc(C#N)c(NNC(=S)Nc3ccccc3)o2)cc1 ZINC000071195143 215742447 /nfs/dbraw/zinc/74/24/47/215742447.db2.gz AFFJDOFDGVURDT-UHFFFAOYSA-N 0 0 349.419 3.835 50 30 EHEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(SC)cc1)O2 ZINC000000429872 209596281 /nfs/dbraw/zinc/59/62/81/209596281.db2.gz NIVHOSFUYMCIJE-SXGWCWSVSA-N 0 0 326.373 3.811 50 30 EHEARN C=CCNC(=O)c1csc(-c2ccc(OCCC)c(OC)c2)n1 ZINC000034712568 212983607 /nfs/dbraw/zinc/98/36/07/212983607.db2.gz LTOXCFBEEYLDSQ-UHFFFAOYSA-N 0 0 332.425 3.523 50 30 EHEARN Cc1ccnc(-n2cccc2-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c1 ZINC000071759745 215814507 /nfs/dbraw/zinc/81/45/07/215814507.db2.gz IWOLWOPXRGSBTK-UHFFFAOYSA-N 0 0 340.390 3.692 50 30 EHEARN C#Cc1cccc(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000032900732 212863416 /nfs/dbraw/zinc/86/34/16/212863416.db2.gz UOMXIUFYTWIXGW-VOTSOKGWSA-N 0 0 339.778 3.744 50 30 EHEARN N#Cc1cccnc1N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000071920535 215966830 /nfs/dbraw/zinc/96/68/30/215966830.db2.gz ZMSBUSXHWSDLRI-QGZVFWFLSA-N 0 0 333.370 3.824 50 30 EHEARN COC(=O)c1ccc2nc(/N=C/c3cccc(OC)c3)sc2c1 ZINC000000286122 209519214 /nfs/dbraw/zinc/51/92/14/209519214.db2.gz ONKKPAIMBXTPDL-VCHYOVAHSA-N 0 0 326.377 3.842 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1 ZINC000029474156 212667924 /nfs/dbraw/zinc/66/79/24/212667924.db2.gz JIGVFFMXLFQPIJ-AATRIKPKSA-N 0 0 342.420 3.906 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 ZINC000000218733 209491522 /nfs/dbraw/zinc/49/15/22/209491522.db2.gz IBPFSPTWXZBHSO-QGZVFWFLSA-N 0 0 343.448 3.549 50 30 EHEARN CCOC(=O)c1cc(C#N)c(Oc2ccccc2)nc1C(F)(F)F ZINC000000126978 209437477 /nfs/dbraw/zinc/43/74/77/209437477.db2.gz SAHHCWKKKRRDHU-UHFFFAOYSA-N 0 0 336.269 3.941 50 30 EHEARN COc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)ccc1OC(C)=O ZINC000000065546 209397352 /nfs/dbraw/zinc/39/73/52/209397352.db2.gz LVJZADWUTUGRGH-VCHYOVAHSA-N 0 0 328.324 3.588 50 30 EHEARN N#Cc1ccccc1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000000062180 209395473 /nfs/dbraw/zinc/39/54/73/209395473.db2.gz GRMMDFGHOMKXFO-RQZCQDPDSA-N 0 0 330.141 3.980 50 30 EHEARN CC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000000061151 209394804 /nfs/dbraw/zinc/39/48/04/209394804.db2.gz AFIDGVUBHNFXLX-RQZCQDPDSA-N 0 0 333.185 3.864 50 30 EHEARN N#Cc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000022482710 212300833 /nfs/dbraw/zinc/30/08/33/212300833.db2.gz CZZXECBDHXHZNA-UHFFFAOYSA-N 0 0 327.387 3.969 50 30 EHEARN N#Cc1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)ccn1 ZINC000193462628 240174486 /nfs/dbraw/zinc/17/44/86/240174486.db2.gz ZNYFCHRUMOISAP-IBGZPJMESA-N 0 0 347.418 3.611 50 30 EHEARN Cn1nc(CN(C(=O)c2cccc(C#N)c2)C2CCCC2)cc1C1CC1 ZINC000217900162 241284467 /nfs/dbraw/zinc/28/44/67/241284467.db2.gz SGXCIVLGYNKKLG-UHFFFAOYSA-N 0 0 348.450 3.754 50 30 EHEARN CCOC(=O)C1CCN([C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 ZINC000221524022 241472029 /nfs/dbraw/zinc/47/20/29/241472029.db2.gz OQRMBHVUTISJFK-HNNXBMFYSA-N 0 0 341.238 3.833 50 30 EHEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000020808058 212173438 /nfs/dbraw/zinc/17/34/38/212173438.db2.gz JCNQJIUOPNLNNA-KRWDZBQOSA-N 0 0 343.386 3.563 50 30 EHEARN Cc1cc(C)nc(NC(=N)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000020123776 212104421 /nfs/dbraw/zinc/10/44/21/212104421.db2.gz UDZZAJFIUMYPCU-UHFFFAOYSA-N 0 0 343.740 3.824 50 30 EHEARN Cc1ccc([C@@H]2CC(=O)Nc3sc4c(nc(N)c(C#N)c4C)c32)cc1 ZINC000020029520 212094599 /nfs/dbraw/zinc/09/45/99/212094599.db2.gz UXPWDDKQIGUQRN-LBPRGKRZSA-N 0 0 348.431 3.841 50 30 EHEARN CC[C@@H](CO)Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019820570 212072046 /nfs/dbraw/zinc/07/20/46/212072046.db2.gz UKVBEQNVGZOZJQ-LBPRGKRZSA-N 0 0 348.859 3.573 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)O[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016956079 211943574 /nfs/dbraw/zinc/94/35/74/211943574.db2.gz UPRUOKFAVULMIL-KRWDZBQOSA-N 0 0 328.751 3.941 50 30 EHEARN COc1cccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1 ZINC000016695912 211931453 /nfs/dbraw/zinc/93/14/53/211931453.db2.gz NFRQTDPFFOMCQF-GDNBJRDFSA-N 0 0 328.368 3.726 50 30 EHEARN N#Cc1cc(F)ccc1NC(=O)c1cc(F)cc(Br)c1 ZINC000079048847 217181615 /nfs/dbraw/zinc/18/16/15/217181615.db2.gz KSNDRTFHRCQLIQ-UHFFFAOYSA-N 0 0 337.123 3.851 50 30 EHEARN C=CCn1c(=O)sc2cc(NC(=O)c3c(F)cccc3F)ccc21 ZINC000015865101 211864411 /nfs/dbraw/zinc/86/44/11/211864411.db2.gz XUJFNFZMGPLVSM-UHFFFAOYSA-N 0 0 346.358 3.780 50 30 EHEARN COc1ccccc1OCc1nc(C#N)c(N2C[C@H](C)C[C@H](C)C2)o1 ZINC000013139529 211527826 /nfs/dbraw/zinc/52/78/26/211527826.db2.gz QPCSCAJEOYYXQH-OKILXGFUSA-N 0 0 341.411 3.616 50 30 EHEARN N#Cc1ccc(/C=C2\COc3ccc(Br)cc3C2=O)cc1 ZINC000012846828 211468766 /nfs/dbraw/zinc/46/87/66/211468766.db2.gz HYEWJPZFCGCBGF-NTUHNPAUSA-N 0 0 340.176 3.979 50 30 EHEARN COc1ccc([C@@H]2NC(=O)N(C)C=C2C(=O)C=Cc2ccccc2)cc1 ZINC000012296973 211335625 /nfs/dbraw/zinc/33/56/25/211335625.db2.gz IQGPXEGPDOCZEW-BNCSFYMNSA-N 0 0 348.402 3.558 50 30 biogenic EHEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1ccc(C#N)cc1 ZINC000007477808 210804755 /nfs/dbraw/zinc/80/47/55/210804755.db2.gz NQQHEWYITWSBTP-UHFFFAOYSA-N 0 0 331.375 3.718 50 30 EHEARN Cc1ccccc1-n1c(C)c(C#N)c([O-])c(-[n+]2ccccc2)c1=S ZINC000006507822 210643824 /nfs/dbraw/zinc/64/38/24/210643824.db2.gz GJUIZNVCEYOZPA-UHFFFAOYSA-O 0 0 334.424 3.678 50 30 EHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccccc2-n2cccn2)cc1 ZINC000096310937 218742450 /nfs/dbraw/zinc/74/24/50/218742450.db2.gz JFFLSXHDQLXYCD-XFXZXTDPSA-N 0 0 331.375 3.727 50 30 EHEARN COc1cccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)c1 ZINC000096346349 218745437 /nfs/dbraw/zinc/74/54/37/218745437.db2.gz QSBYMGYWECLDIY-UHFFFAOYSA-N 0 0 331.375 3.785 50 30 EHEARN O=C1CCCC2=C1[C@H](c1cccc(OCc3ccccc3)c1)NC(=O)N2 ZINC000006053351 210582417 /nfs/dbraw/zinc/58/24/17/210582417.db2.gz QXGRCWXHWULFDD-FQEVSTJZSA-N 0 0 348.402 3.627 50 30 EHEARN COc1ccc(OC)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)nc21 ZINC000005916608 210558450 /nfs/dbraw/zinc/55/84/50/210558450.db2.gz UTVVJENZPMFYSB-UHFFFAOYSA-N 0 0 346.202 3.870 50 30 EHEARN C=CCn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccc(OC)cc1 ZINC000005855339 210548961 /nfs/dbraw/zinc/54/89/61/210548961.db2.gz QLVSIGKTOVOXTP-MRXNPFEDSA-N 0 0 343.452 3.744 50 30 EHEARN CSc1ncc(C(=O)OCc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000005266694 210429004 /nfs/dbraw/zinc/42/90/04/210429004.db2.gz PJYGNXBAONTQQW-UHFFFAOYSA-N 0 0 349.415 3.823 50 30 EHEARN CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000005103302 210390212 /nfs/dbraw/zinc/39/02/12/210390212.db2.gz GSBQFGQUPNCBHL-GOSISDBHSA-N 0 0 333.362 3.983 50 30 EHEARN N#Cc1cc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000097085634 218947177 /nfs/dbraw/zinc/94/71/77/218947177.db2.gz OAGOSYARWCUAEJ-GFCCVEGCSA-N 0 0 333.313 3.535 50 30 EHEARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(C#N)cc1 ZINC000005127570 210394912 /nfs/dbraw/zinc/39/49/12/210394912.db2.gz SSKBWOCBWRIELR-DHDCSXOGSA-N 0 0 333.416 3.891 50 30 EHEARN O=C1/C(=C/c2ccc([N+](=O)[O-])o2)CCC/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000005124028 210394950 /nfs/dbraw/zinc/39/49/50/210394950.db2.gz LRTHCMHYZDMXSG-GFULKKFKSA-N 0 0 344.279 3.909 50 30 EHEARN COc1ccc(CCNc2oc(-c3ccccc3)nc2C#N)cc1OC ZINC000004980018 210348277 /nfs/dbraw/zinc/34/82/77/210348277.db2.gz FRGYSPLTCXHHBX-UHFFFAOYSA-N 0 0 349.390 3.885 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)CCO[C@@](C)(CC)C1 ZINC000004951065 210338249 /nfs/dbraw/zinc/33/82/49/210338249.db2.gz LQFZXZWNYQBDOY-IHPCNDPISA-N 0 0 329.440 3.915 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000004915032 210322247 /nfs/dbraw/zinc/32/22/47/210322247.db2.gz IUHBGWAPGURWNV-LBPRGKRZSA-N 0 0 337.341 3.952 50 30 EHEARN O=C1c2ccccc2C(=O)C(N2CCCC2)=C1Nc1cccc(F)c1 ZINC000004819794 210288021 /nfs/dbraw/zinc/28/80/21/210288021.db2.gz CKMAZKIXNVMGNY-UHFFFAOYSA-N 0 0 336.366 3.624 50 30 EHEARN CNc1ccccc(C(=O)/C=C\c2ccc(Br)cc2)c1=O ZINC000097474712 219026999 /nfs/dbraw/zinc/02/69/99/219026999.db2.gz WMXVOFLKDQUTMJ-FLIBITNWSA-N 0 0 344.208 3.747 50 30 EHEARN N#Cc1ccccc1NC(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000004783780 210276478 /nfs/dbraw/zinc/27/64/78/210276478.db2.gz ZNMDHSOBVIWBRU-UHFFFAOYSA-N 0 0 339.439 3.665 50 30 EHEARN CN(Cc1cccc(NCc2cccc(C#N)c2)c1)C(=O)C(F)(F)F ZINC000178269971 257954327 /nfs/dbraw/zinc/95/43/27/257954327.db2.gz OFRVKFQKPQIRCW-UHFFFAOYSA-N 0 0 347.340 3.691 50 30 EHEARN CCSc1cccc(NC(=O)c2cncc(N3CCOCC3)c2)c1 ZINC000330033334 258002495 /nfs/dbraw/zinc/00/24/95/258002495.db2.gz ZJPMEFONTPVJAT-UHFFFAOYSA-N 0 0 343.452 3.667 50 30 EHEARN C=CCNC(=O)CSc1nccc(-c2ccc3ccccc3c2)n1 ZINC000002731573 258047052 /nfs/dbraw/zinc/04/70/52/258047052.db2.gz BYFYXPMJMCFDQZ-UHFFFAOYSA-N 0 0 335.432 3.691 50 30 EHEARN C=CCN(Cc1cccc(OC)c1)C(=O)Cc1c(F)cccc1F ZINC000055042656 258014936 /nfs/dbraw/zinc/01/49/36/258014936.db2.gz XMMGHVTZVCXRTG-UHFFFAOYSA-N 0 0 331.362 3.731 50 30 EHEARN C=CCN(CC=C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000052868724 258015557 /nfs/dbraw/zinc/01/55/57/258015557.db2.gz GKDIZVLUHNNOKG-UHFFFAOYSA-N 0 0 336.395 3.874 50 30 EHEARN C=CCOc1c(Cl)cc(C=C2SC(=O)NC2=O)cc1OCC ZINC000002169496 258017323 /nfs/dbraw/zinc/01/73/23/258017323.db2.gz BERYSNQSCGWQEC-XYOKQWHBSA-N 0 0 339.800 3.627 50 30 EHEARN CCOC(=O)Cc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 ZINC000032915313 258059110 /nfs/dbraw/zinc/05/91/10/258059110.db2.gz PDAPDMVTLZIQNY-UXBLZVDNSA-N 0 0 330.330 3.967 50 30 EHEARN Cc1cccc(N2CCN(c3snc(Cl)c3C#N)CC2)c1C ZINC000051154811 132180020 /nfs/dbraw/zinc/18/00/20/132180020.db2.gz FHJLFJAHARRFFK-UHFFFAOYSA-N 0 0 332.860 3.612 50 30 EHEARN COCCOc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000044027708 262498878 /nfs/dbraw/zinc/49/88/78/262498878.db2.gz XOJVXDFKAFNCHN-NYYWCZLTSA-N 0 0 327.336 3.516 50 30 EHEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000000586491 518220061 /nfs/dbraw/zinc/22/00/61/518220061.db2.gz BFZHCUBIASXHPK-ATWVFEABSA-N 0 0 330.468 3.694 50 30 biogenic,in-vitro EHEARN C=C(C)CNC(=S)NCc1cccc(COCc2ccccc2)c1 ZINC000036847854 518610153 /nfs/dbraw/zinc/61/01/53/518610153.db2.gz RYSBQXOVLQIECZ-UHFFFAOYSA-N 0 0 340.492 3.944 50 30 EHEARN C=CCN(CC=C)C(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000004674146 518769359 /nfs/dbraw/zinc/76/93/59/518769359.db2.gz SHXPDANTTSEXMN-UHFFFAOYSA-N 0 0 329.425 3.710 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1F ZINC000005422720 518798615 /nfs/dbraw/zinc/79/86/15/518798615.db2.gz QKNRMOTWLSAKKG-UHFFFAOYSA-N 0 0 337.354 3.704 50 30 EHEARN C=CCNC(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000010467883 518908789 /nfs/dbraw/zinc/90/87/89/518908789.db2.gz OZUWNPNBNCWPKX-HNNXBMFYSA-N 0 0 325.437 3.847 50 30 EHEARN C=CCOc1ccc(-c2nc(C(=O)NCc3ccco3)cs2)cc1 ZINC000034711679 519006984 /nfs/dbraw/zinc/00/69/84/519006984.db2.gz LNZPPCIZBRTZJJ-UHFFFAOYSA-N 0 0 340.404 3.898 50 30 EHEARN C=CCOc1cccc(CN(CC)C(=O)CC2CCC(=O)CC2)c1 ZINC000055270806 519052505 /nfs/dbraw/zinc/05/25/05/519052505.db2.gz LCGJDKDZSWDXJE-UHFFFAOYSA-N 0 0 329.440 3.749 50 30 EHEARN C=CCc1ccc(OCC(=O)NCCC2=CCCCC2)c(OC)c1 ZINC000000313494 519134117 /nfs/dbraw/zinc/13/41/17/519134117.db2.gz MEBUEMJSVJZBGV-UHFFFAOYSA-N 0 0 329.440 3.809 50 30 EHEARN C=CCn1c(C)cc(C(=O)CSc2nnc3n2CCCCC3)c1C ZINC000006940904 519170644 /nfs/dbraw/zinc/17/06/44/519170644.db2.gz SPOWMGDODAHVQQ-UHFFFAOYSA-N 0 0 344.484 3.584 50 30 EHEARN CC(C)Cc1ccc([C@@H](C)C(=O)ONC(=N)c2cccs2)cc1 ZINC000004390615 519445634 /nfs/dbraw/zinc/44/56/34/519445634.db2.gz DNPTZXITGSYIHW-CYBMUJFWSA-N 0 0 330.453 3.914 50 30 EHEARN CCCCCCCCNC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000029748582 520033725 /nfs/dbraw/zinc/03/37/25/520033725.db2.gz WUWNJMQXXZLYKY-UHFFFAOYSA-N 0 0 345.439 3.957 50 30 EHEARN COc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F ZINC000033472218 521985089 /nfs/dbraw/zinc/98/50/89/521985089.db2.gz ZXKGIXUHYXHXBA-DJWKRKHSSA-N 0 0 348.301 3.921 50 30 EHEARN CN(CCC#N)C(=O)C[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000003903493 522671360 /nfs/dbraw/zinc/67/13/60/522671360.db2.gz FYTDBGAILXKZQZ-RBUKOAKNSA-N 0 0 342.483 3.813 50 30 EHEARN COc1ccc(/C(C)=N/OCO/N=C(/C)c2ccc(OC)cc2)cc1 ZINC000012407070 523364934 /nfs/dbraw/zinc/36/49/34/523364934.db2.gz ZXYLEJRWQPWRNC-TVGQLCNQSA-N 0 0 342.395 3.843 50 30 EHEARN CSC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000077186013 525645299 /nfs/dbraw/zinc/64/52/99/525645299.db2.gz MFZILQKALIGMFW-QGZVFWFLSA-N 0 0 325.437 3.978 50 30 EHEARN C[C@H](NC(=O)CNc1cccc2c1OCC[C@H]2O)c1cccs1 ZINC000328593786 525917040 /nfs/dbraw/zinc/91/70/40/525917040.db2.gz JIAJWHGTHUUKIC-SMDDNHRTSA-N 0 0 332.425 3.694 50 30 EHEARN C[C@H](NC(=O)CNc1cccc2c1OCC[C@@H]2O)c1cccs1 ZINC000328593785 525918936 /nfs/dbraw/zinc/91/89/36/525918936.db2.gz JIAJWHGTHUUKIC-FZMZJTMJSA-N 0 0 332.425 3.694 50 30 EHEARN N#CCCSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000004791140 526463677 /nfs/dbraw/zinc/46/36/77/526463677.db2.gz ADMCDNFMUFOFKW-UHFFFAOYSA-N 0 0 334.832 3.851 50 30 EHEARN Cc1sc(NC(=O)c2ccc(Br)o2)c(C#N)c1C ZINC000000035536 563211924 /nfs/dbraw/zinc/21/19/24/563211924.db2.gz SFTYBGCSHTUZQA-UHFFFAOYSA-N 0 0 325.187 3.844 50 30 EHEARN CCc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 ZINC000000132192 563238812 /nfs/dbraw/zinc/23/88/12/563238812.db2.gz ZXTZHDCFWIBHSS-UHFFFAOYSA-N 0 0 335.432 3.575 50 30 EHEARN CS(=O)(=O)OCCC=C1c2ccccc2CCc2ccccc21 ZINC000002024219 563418281 /nfs/dbraw/zinc/41/82/81/563418281.db2.gz LQHNZFGFVMOGEU-UHFFFAOYSA-N 0 0 328.433 3.583 50 30 EHEARN CCc1ccc2[nH]c3nc(N=NC=CCc4ccco4)nnc3c2c1 ZINC000002729599 563447409 /nfs/dbraw/zinc/44/74/09/563447409.db2.gz FYHMFOXCPBVEIZ-WSJMPXRGSA-N 0 0 332.367 3.773 50 30 EHEARN C=CCOc1ccc(-c2nc(C(=O)NCCC)cs2)cc1OC ZINC000034712243 563451153 /nfs/dbraw/zinc/45/11/53/563451153.db2.gz SBZABQHAHSUBTO-UHFFFAOYSA-N 0 0 332.425 3.523 50 30 EHEARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)/C=C/N(C)C ZINC000003133148 563474100 /nfs/dbraw/zinc/47/41/00/563474100.db2.gz TXIBBFYUMFHCKG-ZJELKQJVSA-N 0 0 338.782 3.879 50 30 EHEARN C=CCNC(=S)N=NCc1cccc(OCc2cccc(C)c2)c1 ZINC000005237097 563523962 /nfs/dbraw/zinc/52/39/62/563523962.db2.gz UZNTWANBSUDUDQ-FYJGNVAPSA-N 0 0 339.464 3.969 50 30 EHEARN Cc1cc(NN=Cc2ccccc2O)n2c3ccccc3nc2c1C#N ZINC000005295970 563525642 /nfs/dbraw/zinc/52/56/42/563525642.db2.gz WZIWEYUTPKMLEI-WSDLNYQXSA-N 0 0 341.374 3.819 50 30 EHEARN COc1ccc([C@@H](C)NC(=O)NC2CCC(F)(F)CC2)cc1OC ZINC000330521711 563568349 /nfs/dbraw/zinc/56/83/49/563568349.db2.gz HXFXLVMTTSMONT-LLVKDONJSA-N 0 0 342.386 3.846 50 30 EHEARN N#CCC[C@@H](C#N)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000014196833 563749394 /nfs/dbraw/zinc/74/93/94/563749394.db2.gz URSNPIRXYWPOJX-ZDUSSCGKSA-N 0 0 334.404 3.569 50 30 EHEARN Cc1nc2c3ccccc3nc(SCc3ccccc3C#N)n2n1 ZINC000032871555 563769085 /nfs/dbraw/zinc/76/90/85/563769085.db2.gz XCMBUEPTXVSAIG-UHFFFAOYSA-N 0 0 331.404 3.750 50 30 EHEARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(CC#N)cc1 ZINC000016495910 563813595 /nfs/dbraw/zinc/81/35/95/563813595.db2.gz ZZCASJFXAOAIPR-FQEVSTJZSA-N 0 0 345.402 3.655 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000016741396 563822207 /nfs/dbraw/zinc/82/22/07/563822207.db2.gz ZONIADOSIBHDHW-OAHLLOKOSA-N 0 0 325.389 3.512 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)c2cnc3ccccc3n2)cc1 ZINC000069849303 563860625 /nfs/dbraw/zinc/86/06/25/563860625.db2.gz GBGBDVLXMBJLAC-UHFFFAOYSA-N 0 0 346.390 3.589 50 30 EHEARN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCc3c[nH]c4ccccc34)nc21 ZINC000072296119 563912234 /nfs/dbraw/zinc/91/22/34/563912234.db2.gz VITHOTQJSBGMSM-HNNXBMFYSA-N 0 0 343.390 3.557 50 30 EHEARN N#Cc1cc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000286649020 563963229 /nfs/dbraw/zinc/96/32/29/563963229.db2.gz ZDMOWWALTCZMCZ-CYBMUJFWSA-N 0 0 347.340 3.925 50 30 EHEARN N#CCCN(CC1CC1)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000097236254 563970695 /nfs/dbraw/zinc/97/06/95/563970695.db2.gz HKEWXZUZHHHHIX-UHFFFAOYSA-N 0 0 347.390 3.854 50 30 EHEARN N#Cc1c(N)nc(-c2cc[nH]c2)cc1-c1c(Cl)nc2sccn21 ZINC000071753561 563982995 /nfs/dbraw/zinc/98/29/95/563982995.db2.gz XRAANBAMROZQJU-UHFFFAOYSA-N 0 0 340.799 3.560 50 30 EHEARN Cc1ccc(-c2cc(-c3cccc(C[NH+](C)C)c3)c(C#N)c(N)n2)nc1 ZINC000071762655 563983039 /nfs/dbraw/zinc/98/30/39/563983039.db2.gz OGKLAXFICHDRNT-UHFFFAOYSA-N 0 0 343.434 3.635 50 30 EHEARN Cc1nc(N)sc1-c1cc(-c2ccc(Cl)s2)c(C#N)c(N)n1 ZINC000071759098 563983044 /nfs/dbraw/zinc/98/30/44/563983044.db2.gz IMUHOZBPISZWAE-UHFFFAOYSA-N 0 0 347.856 3.932 50 30 EHEARN Cc1cc(NC(=O)[C@H](Oc2ccc(C#N)cc2)c2ccccc2)no1 ZINC000014139005 563983292 /nfs/dbraw/zinc/98/32/92/563983292.db2.gz ILPLGZHOYRFCNY-GOSISDBHSA-N 0 0 333.347 3.614 50 30 EHEARN Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 ZINC000014309375 563983942 /nfs/dbraw/zinc/98/39/42/563983942.db2.gz LSXLWDIPZYNLIV-OAHLLOKOSA-N 0 0 331.423 3.830 50 30 EHEARN CCOc1ccc(/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000271288 563990028 /nfs/dbraw/zinc/99/00/28/563990028.db2.gz ZFSLUDCCQFAKKR-WOJGMQOQSA-N 0 0 330.340 3.761 50 30 EHEARN Cc1nc2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2nc1C ZINC000061047252 563992453 /nfs/dbraw/zinc/99/24/53/563992453.db2.gz FFRYYFHVMZCVIM-UHFFFAOYSA-N 0 0 348.431 3.921 50 30 EHEARN Cc1c(C#N)c(NC(=O)c2cccc(F)c2)sc1C(=O)OC(C)C ZINC000000433928 563999489 /nfs/dbraw/zinc/99/94/89/563999489.db2.gz UDCNGWWIXUZKPJ-UHFFFAOYSA-N 0 0 346.383 3.885 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000005561633 564005602 /nfs/dbraw/zinc/00/56/02/564005602.db2.gz KEWUFXYOWOILQO-QGZVFWFLSA-N 0 0 335.334 3.663 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000005563160 564005630 /nfs/dbraw/zinc/00/56/30/564005630.db2.gz ZQKCEQTZEUBUSA-GOSISDBHSA-N 0 0 331.371 3.833 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000005629340 564006735 /nfs/dbraw/zinc/00/67/35/564006735.db2.gz QUGOJXUTXXPWSM-BZNIZROVSA-N 0 0 333.482 3.831 50 30 EHEARN CSc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000017945142 564013347 /nfs/dbraw/zinc/01/33/47/564013347.db2.gz CVMJDAFUPQEHOK-INIZCTEOSA-N 0 0 340.452 3.658 50 30 EHEARN N#CC1(c2ccc(C(=O)N3CCOc4ccc(Cl)cc43)cc2)CC1 ZINC000181196956 564013800 /nfs/dbraw/zinc/01/38/00/564013800.db2.gz NBIONOPUHCYDLY-UHFFFAOYSA-N 0 0 338.794 3.934 50 30 EHEARN C#CCn1c2ccc(Cl)cc2s/c1=N\C(=O)C1CCCCC1 ZINC000100875233 564017011 /nfs/dbraw/zinc/01/70/11/564017011.db2.gz ONFBKQUYDASZJG-ZPHPHTNESA-N 0 0 332.856 3.997 50 30 EHEARN COc1ccc2c(c1)N(C(=O)c1ccc(C3(C#N)CC3)cc1)C[C@H](C)O2 ZINC000181203330 564017030 /nfs/dbraw/zinc/01/70/30/564017030.db2.gz QFTIDLLONXFGKS-AWEZNQCLSA-N 0 0 348.402 3.678 50 30 EHEARN N#Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1 ZINC000048206799 564030062 /nfs/dbraw/zinc/03/00/62/564030062.db2.gz ZGRGFSAJZAHBEG-UHFFFAOYSA-N 0 0 341.208 3.740 50 30 EHEARN C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000048248559 564030236 /nfs/dbraw/zinc/03/02/36/564030236.db2.gz ZVAMTQNRHWZIPA-NSHDSACASA-N 0 0 336.351 3.524 50 30 EHEARN C[C@@H](C#N)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 ZINC000005771919 564034509 /nfs/dbraw/zinc/03/45/09/564034509.db2.gz VSNQQSOLTHFYJR-NSHDSACASA-N 0 0 340.404 3.832 50 30 EHEARN Cc1[nH]c2ccccc2c1C(=O)OCc1cn2ccccc2c1C#N ZINC000025244145 564053862 /nfs/dbraw/zinc/05/38/62/564053862.db2.gz KGSLAKZMAJDTEV-UHFFFAOYSA-N 0 0 329.359 3.958 50 30 EHEARN N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000025443083 564054374 /nfs/dbraw/zinc/05/43/74/564054374.db2.gz ICENNYVFYUGDGX-OAHLLOKOSA-N 0 0 329.400 3.534 50 30 EHEARN CCCCCNc1nc(NCCCCC)c2c(c1C#N)CCN(C)C2 ZINC000005824964 564056515 /nfs/dbraw/zinc/05/65/15/564056515.db2.gz KDHLPFFUOJZWMW-UHFFFAOYSA-N 0 0 343.519 3.567 50 30 EHEARN C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)NC(C)C ZINC000044085731 564059531 /nfs/dbraw/zinc/05/95/31/564059531.db2.gz XUFSIENYSVLWSZ-UHFFFAOYSA-N 0 0 329.469 3.661 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(C)c1 ZINC000007720165 564070889 /nfs/dbraw/zinc/07/08/89/564070889.db2.gz KAJKAQCGGVZILJ-UHFFFAOYSA-N 0 0 333.391 3.873 50 30 EHEARN C=CCOc1ccc(/C=C2\SC(=S)N(CC=C)C2=O)cc1OC ZINC000013517275 564073905 /nfs/dbraw/zinc/07/39/05/564073905.db2.gz NQDROSZYUWUNAW-PTNGSMBKSA-N 0 0 347.461 3.647 50 30 EHEARN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSCc1ccncc1 ZINC000063661878 564074019 /nfs/dbraw/zinc/07/40/19/564074019.db2.gz QMYULOPFEQSCJB-UHFFFAOYSA-N 0 0 339.464 3.624 50 30 EHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000000085894 564074479 /nfs/dbraw/zinc/07/44/79/564074479.db2.gz NMBCSVATXMQGHL-QFIPXVFZSA-N 0 0 349.430 3.803 50 30 EHEARN CC(=O)c1sc(N=NCc2ccc(Cl)c(Cl)c2)nc1C ZINC000004043271 564079352 /nfs/dbraw/zinc/07/93/52/564079352.db2.gz QKBQCCRRABUXDG-UHFFFAOYSA-N 0 0 328.224 3.829 50 30 EHEARN COc1cc(C#N)ccc1O[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000075147071 564080745 /nfs/dbraw/zinc/08/07/45/564080745.db2.gz DPZGCKVVNUTMBM-ZDUSSCGKSA-N 0 0 335.363 3.681 50 30 EHEARN C[C@H](Sc1ncnc2ccsc21)C(=O)Nc1ccccc1C#N ZINC000026956770 564090930 /nfs/dbraw/zinc/09/09/30/564090930.db2.gz BDUGZFJESVQHCT-JTQLQIEISA-N 0 0 340.433 3.682 50 30 EHEARN C=CCn1cnnc1S[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000006589846 564092448 /nfs/dbraw/zinc/09/24/48/564092448.db2.gz FXJVPCJQILIFJX-CYBMUJFWSA-N 0 0 338.436 3.737 50 30 EHEARN CCOc1cccc(C2N=NC(=S)N2N=Cc2ccc(C)s2)c1 ZINC000005906929 564093315 /nfs/dbraw/zinc/09/33/15/564093315.db2.gz ZNQXFEYBYGYMTP-LICLKQGHSA-N 0 0 344.465 3.885 50 30 EHEARN S=C1N=NC(c2cc(-c3ccccc3)n[nH]2)N1N=Cc1ccccc1 ZINC000006786188 564097685 /nfs/dbraw/zinc/09/76/85/564097685.db2.gz KPBBENZWCBIMQV-XDHOZWIPSA-N 0 0 346.419 3.506 50 30 EHEARN Cc1ccc(-n2c(SCC#N)nc3ccccc3c2=O)cc1Cl ZINC000006786063 564097714 /nfs/dbraw/zinc/09/77/14/564097714.db2.gz SZYPJNHVBASWRZ-UHFFFAOYSA-N 0 0 341.823 3.963 50 30 EHEARN Cc1nc(S[C@H](C(=O)N(C)C)c2ccccc2)c(C#N)c(C)c1C ZINC000006830531 564099057 /nfs/dbraw/zinc/09/90/57/564099057.db2.gz USWXPPBNKCYXDK-KRWDZBQOSA-N 0 0 339.464 3.800 50 30 EHEARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nc2c1 ZINC000006908922 564101158 /nfs/dbraw/zinc/10/11/58/564101158.db2.gz HTFRVEUSWQHMPD-LBPRGKRZSA-N 0 0 336.420 3.862 50 30 EHEARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007058478 564104018 /nfs/dbraw/zinc/10/40/18/564104018.db2.gz QFHXZCMQXYOZCK-ZDUSSCGKSA-N 0 0 342.468 3.728 50 30 EHEARN Cc1c([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc(C#N)n1C ZINC000007112793 564105008 /nfs/dbraw/zinc/10/50/08/564105008.db2.gz KWMNTJNERGIGFZ-IBGZPJMESA-N 0 0 346.390 3.565 50 30 EHEARN C=CCCC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000065554573 564107554 /nfs/dbraw/zinc/10/75/54/564107554.db2.gz ANBHVLZYPMWALH-HNNXBMFYSA-N 0 0 340.423 3.813 50 30 EHEARN COc1cc([C@H](C)Nc2ncc(C#N)cc2Cl)cc(OC)c1OC ZINC000065592778 564107994 /nfs/dbraw/zinc/10/79/94/564107994.db2.gz CHNQLBBNCQDOPT-JTQLQIEISA-N 0 0 347.802 3.806 50 30 EHEARN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000071794637 564111124 /nfs/dbraw/zinc/11/11/24/564111124.db2.gz QULJVZNDHNSSMN-CQSZACIVSA-N 0 0 344.484 3.685 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000194444255 564120527 /nfs/dbraw/zinc/12/05/27/564120527.db2.gz WGALQUFZXUGEQV-UHFFFAOYSA-N 0 0 336.439 3.647 50 30 EHEARN CCOc1cc(C#N)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007687335 564121902 /nfs/dbraw/zinc/12/19/02/564121902.db2.gz RAQAKXFXYOQONO-UHFFFAOYSA-N 0 0 346.726 3.738 50 30 EHEARN CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=Nc1ccccc1 ZINC000252630116 564123557 /nfs/dbraw/zinc/12/35/57/564123557.db2.gz UUXUGWBQIZIXHR-MVSXMAMESA-N 0 0 338.388 3.649 50 30 EHEARN COc1ccc(C(C)=NOCON=C(C)c2ccc(OC)cc2)cc1 ZINC000252643861 564124758 /nfs/dbraw/zinc/12/47/58/564124758.db2.gz ZXYLEJRWQPWRNC-UHFFFAOYSA-N 0 0 342.395 3.843 50 30 EHEARN CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000000008815 564132682 /nfs/dbraw/zinc/13/26/82/564132682.db2.gz HOQAVGZLYRYHSO-OAHLLOKOSA-N 0 0 342.464 3.657 50 30 in-vitro EHEARN N#Cc1ccc(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)cc1 ZINC000000193118 564132980 /nfs/dbraw/zinc/13/29/80/564132980.db2.gz RPQXAUPIPZUXKO-FLFQWRMESA-N 0 0 339.354 3.789 50 30 EHEARN Cn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1 ZINC000000615005 564133490 /nfs/dbraw/zinc/13/34/90/564133490.db2.gz CIQOIJQKPRGLIW-UHFFFAOYSA-N 0 0 336.420 3.558 50 30 EHEARN Cc1nc(CCC(=O)[C@@H](C#N)c2ccccn2)oc1-c1ccccc1 ZINC000078611928 564136424 /nfs/dbraw/zinc/13/64/24/564136424.db2.gz URWLDSRBIVDJFU-INIZCTEOSA-N 0 0 331.375 3.854 50 30 EHEARN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@H]2c2ccccc2)no1 ZINC000328588451 564136610 /nfs/dbraw/zinc/13/66/10/564136610.db2.gz PLQWWXGSFGZIID-XHSDSOJGSA-N 0 0 340.427 3.800 50 30 EHEARN COc1cc(NC(=O)N2CCC[C@@H](C(N)=O)C2)cc(OC)c1C(C)C ZINC000330593768 564139104 /nfs/dbraw/zinc/13/91/04/564139104.db2.gz WPGWXHGCDIFQJS-GFCCVEGCSA-N 0 0 349.431 3.620 50 30 EHEARN O=C(Nc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)c1cscn1 ZINC000095395261 564139441 /nfs/dbraw/zinc/13/94/41/564139441.db2.gz RYWSYUUDRSMESQ-UHFFFAOYSA-N 0 0 340.195 3.871 50 30 EHEARN COc1ccc2c(ccn2CCC(=O)Nc2nnc(C(C)C)[nH]2)c1 ZINC000095475028 564141399 /nfs/dbraw/zinc/14/13/99/564141399.db2.gz PYKJMYCUUCSEOB-UHFFFAOYSA-N 0 0 327.388 3.570 50 30 EHEARN COc1ccc(-c2noc([C@H](C)Sc3cc(C#N)ccn3)n2)cc1 ZINC000125539731 564141901 /nfs/dbraw/zinc/14/19/01/564141901.db2.gz XVBZTCQWGBWVBI-NSHDSACASA-N 0 0 338.392 3.865 50 30 EHEARN CCCC[C@H](ON=C(C)C)C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000096004345 564144479 /nfs/dbraw/zinc/14/44/79/564144479.db2.gz GTUHVUYOQNOMQJ-YOEHRIQHSA-N 0 0 338.423 3.680 50 30 EHEARN Cc1ccc(C2=N/C(=C\c3cccc(OCC#N)c3)C(=O)O2)cc1C ZINC000096130179 564145756 /nfs/dbraw/zinc/14/57/56/564145756.db2.gz YKCJNFTXKUKXEK-PDGQHHTCSA-N 0 0 332.359 3.550 50 30 EHEARN CCOc1ccc(C2(CNc3ccc(C#N)cn3)CCOCC2)cc1 ZINC000057148819 564153343 /nfs/dbraw/zinc/15/33/43/564153343.db2.gz SNKKQNAMJUYVRE-UHFFFAOYSA-N 0 0 337.423 3.512 50 30 EHEARN Cc1nc(C2CC2)nc(SCc2ccc([N+](=O)[O-])cc2)c1C#N ZINC000029749897 564153740 /nfs/dbraw/zinc/15/37/40/564153740.db2.gz DDDXXVLOBXNDDD-UHFFFAOYSA-N 0 0 326.381 3.735 50 30 EHEARN CC(C)C(=O)OC1=C(Sc2ccccc2[N+](=O)[O-])C(=O)CCC1 ZINC000003191336 564155834 /nfs/dbraw/zinc/15/58/34/564155834.db2.gz PLLIHXBXERCVCO-UHFFFAOYSA-N 0 0 335.381 3.851 50 30 EHEARN N#Cc1ccccc1OCCSc1nc2cc(F)c(F)cc2[nH]1 ZINC000058366885 564158865 /nfs/dbraw/zinc/15/88/65/564158865.db2.gz KQCDYPLMKXMTTK-UHFFFAOYSA-N 0 0 331.347 3.884 50 30 EHEARN CC(=O)O[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]12C ZINC000004081281 564160385 /nfs/dbraw/zinc/16/03/85/564160385.db2.gz AEFVYXKODUCZPV-GSXRMDRLSA-N 0 0 346.467 3.675 50 30 biogenic EHEARN CC[C@@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O ZINC000008683654 564166312 /nfs/dbraw/zinc/16/63/12/564166312.db2.gz XCNZYAJNAYUKSU-MSGJMHGSSA-N 0 0 331.372 3.667 50 30 EHEARN CC(=NNC(=S)Nc1c(C)cccc1C)c1ccc2c(c1)OCO2 ZINC000245283953 564168937 /nfs/dbraw/zinc/16/89/37/564168937.db2.gz PELBWRSRKHHXHB-UHFFFAOYSA-N 0 0 341.436 3.743 50 30 EHEARN C=CCSCC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000069594792 564170832 /nfs/dbraw/zinc/17/08/32/564170832.db2.gz ISCIPXTTZHUBHK-HNNXBMFYSA-N 0 0 343.452 3.709 50 30 EHEARN CCOc1c(OC)cc(CNc2ncc(C#N)cc2Cl)cc1OC ZINC000069622994 564170990 /nfs/dbraw/zinc/17/09/90/564170990.db2.gz FAKUXCJRUNGONP-UHFFFAOYSA-N 0 0 347.802 3.635 50 30 EHEARN CO[C@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000069669621 564171428 /nfs/dbraw/zinc/17/14/28/564171428.db2.gz ULAJVJZJDOJOFA-SCZZXKLOSA-N 0 0 342.342 3.916 50 30 EHEARN C=CC[C@H](NC(=O)c1sccc1Br)c1ccncc1 ZINC000069742883 564171927 /nfs/dbraw/zinc/17/19/27/564171927.db2.gz KTEWQAXBRBJPKF-LBPRGKRZSA-N 0 0 337.242 3.953 50 30 EHEARN COc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000070036816 564173425 /nfs/dbraw/zinc/17/34/25/564173425.db2.gz IOSRBUGVSYTBGA-HWKANZROSA-N 0 0 346.364 3.519 50 30 EHEARN Cc1cc(C)c(S(=O)(=O)N/N=C/c2cccc(Cl)c2)c(C)c1 ZINC000169904731 1017024008 /nfs/dbraw/zinc/02/40/08/1017024008.db2.gz DTWONSIISYPQNY-VCHYOVAHSA-N 0 0 336.844 3.578 50 30 EHEARN COc1cc(Br)c(/C=C/C(=O)c2ccncc2)cc1OC ZINC000095351090 1033703926 /nfs/dbraw/zinc/70/39/26/1033703926.db2.gz YKWQGMFBEXRTOB-ONEGZZNKSA-N 0 0 348.196 3.757 50 30 EHEARN COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc(Cl)c1OC ZINC000014240803 1038721318 /nfs/dbraw/zinc/72/13/18/1038721318.db2.gz KMFHCWLPRAOZBL-NSIKDUERSA-N 0 0 332.739 3.679 50 30 EHEARN O=C(/C=C/c1ccc(O)c(Br)c1)c1ccc2c(c1)OCO2 ZINC000014244381 1038726855 /nfs/dbraw/zinc/72/68/55/1038726855.db2.gz VBBVTYBBOLABID-DAFODLJHSA-N 0 0 347.164 3.780 50 30 EHEARN Cc1noc2ncc(NC(=O)[C@@H](C)N3CCc4ccccc4C3)cc12 ZINC000329728370 1040643828 /nfs/dbraw/zinc/64/38/28/1040643828.db2.gz FNRXDANYUDPPGN-CYBMUJFWSA-N 0 0 336.395 3.566 50 30 EHEARN FC(F)(F)c1ccccc1NC(=S)NN=C1C[C@H]2CC=C[C@H]12 ZINC000254760842 1041156977 /nfs/dbraw/zinc/15/69/77/1041156977.db2.gz KEWKHWSOEKBVJT-ZJUUUORDSA-N 0 0 325.359 3.944 50 30 EHEARN N#Cc1ccc(CSCc2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000007851219 1123936564 /nfs/dbraw/zinc/93/65/64/1123936564.db2.gz WTBUMCZFMOSHIA-UHFFFAOYSA-N 0 0 348.435 3.502 50 30 EHEARN Cc1nc(N2CCc3c(ncn3-c3ccccc3)C2)c(Cl)cc1C#N ZINC000360080954 1129331171 /nfs/dbraw/zinc/33/11/71/1129331171.db2.gz BYSZIAWLELSQMI-UHFFFAOYSA-N 0 0 349.825 3.664 50 30 EHEARN C=CCOc1cc(Cl)c(CN2CCO[C@H](CC)C2)cc1OC ZINC000820491563 1130875045 /nfs/dbraw/zinc/87/50/45/1130875045.db2.gz RKALPSYWJRYPMW-CQSZACIVSA-N 0 0 325.836 3.524 50 30 EHEARN N#CC1(C(=O)Nc2nccc(Br)c2Cl)CCCC1 ZINC000585125530 1137014796 /nfs/dbraw/zinc/01/47/96/1137014796.db2.gz WOHVECBKHQECQW-UHFFFAOYSA-N 0 0 328.597 3.520 50 30 EHEARN N#Cc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000952860319 1137482800 /nfs/dbraw/zinc/48/28/00/1137482800.db2.gz MEIDYXFSCFHWAC-SFHVURJKSA-N 0 0 336.391 3.758 50 30 EHEARN C#CCCC1(CCC(=O)Nc2cccc(C3CCOCC3)c2)N=N1 ZINC000952879706 1137483156 /nfs/dbraw/zinc/48/31/56/1137483156.db2.gz ACKDSJZBOZQVDE-UHFFFAOYSA-N 0 0 325.412 3.875 50 30 EHEARN C#CCCC1(CCC(=O)N2CCc3ccc(F)cc3[C@H](C)C2)N=N1 ZINC000952879635 1137483169 /nfs/dbraw/zinc/48/31/69/1137483169.db2.gz GAKARCQPKXMOFC-CQSZACIVSA-N 0 0 327.403 3.670 50 30 EHEARN C#CCCC1(CCC(=O)Nc2cc(F)cc(N3CCCC3)c2)N=N1 ZINC000952880430 1137483197 /nfs/dbraw/zinc/48/31/97/1137483197.db2.gz FKWZRUFWJYBVIC-UHFFFAOYSA-N 0 0 328.391 3.720 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccccc1 ZINC000102516685 1137715667 /nfs/dbraw/zinc/71/56/67/1137715667.db2.gz HVEQVBWCRJHCAR-CPNJWEJPSA-N 0 0 335.403 3.724 50 30 EHEARN Cc1csc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000007195738 1137891092 /nfs/dbraw/zinc/89/10/92/1137891092.db2.gz VWHVEURHOXFSII-UHFFFAOYSA-N 0 0 349.506 3.994 50 30 EHEARN COc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1Cl ZINC000051319060 214088782 /nfs/dbraw/zinc/08/87/82/214088782.db2.gz SZRAIALOVBECAK-UHFFFAOYSA-N 0 0 339.782 3.814 50 30 EHEARN N#Cc1cn(CC(=O)Nc2cc(F)ccc2Cl)c2ccccc12 ZINC000051319167 214089130 /nfs/dbraw/zinc/08/91/30/214089130.db2.gz BYMCKXVWPDPSPF-UHFFFAOYSA-N 0 0 327.746 3.944 50 30 EHEARN C=CCOc1ccc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004690073 210249721 /nfs/dbraw/zinc/24/97/21/210249721.db2.gz VCFPRXBLGHPDHN-OAHLLOKOSA-N 0 0 326.392 3.925 50 30 EHEARN C#CCN(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000055254435 214296701 /nfs/dbraw/zinc/29/67/01/214296701.db2.gz UUOKRFUIGHWURX-UHFFFAOYSA-N 0 0 349.409 3.860 50 30 EHEARN C=C(C)COc1ccccc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C ZINC000055393209 214316492 /nfs/dbraw/zinc/31/64/92/214316492.db2.gz LJPKFCKWMCVIOM-HNNXBMFYSA-N 0 0 327.428 3.815 50 30 EHEARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 ZINC000004679945 210246671 /nfs/dbraw/zinc/24/66/71/210246671.db2.gz SCBFYXOPLLLNNK-SFHVURJKSA-N 0 0 336.391 3.596 50 30 EHEARN CC(C)CN(CCC#N)C(=O)c1ccc(COc2ccccc2)o1 ZINC000058113706 214479597 /nfs/dbraw/zinc/47/95/97/214479597.db2.gz DTKLYQLUAFFETB-UHFFFAOYSA-N 0 0 326.396 3.870 50 30 EHEARN COc1ccc(C2=NN=CC2=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000100342510 219097024 /nfs/dbraw/zinc/09/70/24/219097024.db2.gz IAKGZBIPXPZYRK-HZHRSRAPSA-N 0 0 346.312 3.971 50 30 EHEARN CC(=O)/C(=N\Nc1ccccc1)Oc1ccc(Br)cc1 ZINC000101080074 219115144 /nfs/dbraw/zinc/11/51/44/219115144.db2.gz BJHSSSAPXZVPNS-OBGWFSINSA-N 0 0 333.185 3.843 50 30 EHEARN CCc1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 ZINC000064838111 214808577 /nfs/dbraw/zinc/80/85/77/214808577.db2.gz NXMPYBGCWIEUHH-UHFFFAOYSA-N 0 0 335.432 3.575 50 30 EHEARN S=C(N/N=C/c1cccc(Br)c1)Nc1ccccc1 ZINC000004231427 210149149 /nfs/dbraw/zinc/14/91/49/210149149.db2.gz ZEIIRMLUJIVNPA-MHWRWJLKSA-N 0 0 334.242 3.770 50 30 EHEARN S=C(N/N=C/c1ccccc1Br)NC1CCCCC1 ZINC000004210597 210144877 /nfs/dbraw/zinc/14/48/77/210144877.db2.gz XCFMKULRMPOOEO-MHWRWJLKSA-N 0 0 340.290 3.580 50 30 EHEARN C/C(=N\N=C1\NC(=O)[C@H](Cc2cccc(C)c2)S1)c1ccccc1 ZINC000004159995 210135425 /nfs/dbraw/zinc/13/54/25/210135425.db2.gz WQPWAFWEONYKHV-JPOGYNCRSA-N 0 0 337.448 3.549 50 30 EHEARN N#Cc1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCC2 ZINC000004072655 210113371 /nfs/dbraw/zinc/11/33/71/210113371.db2.gz JBDQKCVCLKAYHO-UHFFFAOYSA-N 0 0 347.783 3.922 50 30 EHEARN S=C(N/N=C/c1ccccc1Br)Nc1ccccc1 ZINC000004083302 210114492 /nfs/dbraw/zinc/11/44/92/210114492.db2.gz OZKIYDAUXKPCPR-MHWRWJLKSA-N 0 0 334.242 3.770 50 30 EHEARN N#CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000003572688 210056915 /nfs/dbraw/zinc/05/69/15/210056915.db2.gz GQMDVTOUBSZPFN-UHFFFAOYSA-N 0 0 327.796 3.655 50 30 EHEARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCC#N ZINC000003444371 210041512 /nfs/dbraw/zinc/04/15/12/210041512.db2.gz CXRTWVGZEQDUFM-UHFFFAOYSA-N 0 0 340.364 3.558 50 30 EHEARN CN(CCC#N)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000003326862 210007673 /nfs/dbraw/zinc/00/76/73/210007673.db2.gz YLLHHSBRUWTHQY-QGOAFFKASA-N 0 0 349.365 3.520 50 30 EHEARN C#CC(CC)(CC)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000003324344 210007419 /nfs/dbraw/zinc/00/74/19/210007419.db2.gz UELXCIJBESWRDP-UHFFFAOYSA-N 0 0 349.430 3.605 50 30 EHEARN C=CCn1nc(C)c(-c2cc(-c3cccc(O)c3)nc(N)c2C#N)c1C ZINC000067805447 215218739 /nfs/dbraw/zinc/21/87/39/215218739.db2.gz OZGYCUIKUSWQQM-UHFFFAOYSA-N 0 0 345.406 3.574 50 30 EHEARN N#Cc1cccnc1N1CCC[C@](CO)(CCCc2ccccc2)C1 ZINC000067946418 215256024 /nfs/dbraw/zinc/25/60/24/215256024.db2.gz KYKLPLQEWFBGHY-OAQYLSRUSA-N 0 0 335.451 3.555 50 30 EHEARN Cc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1ccc(O)cc1 ZINC000067983294 215268159 /nfs/dbraw/zinc/26/81/59/215268159.db2.gz VIPHMOHBFDKHTA-CQSZACIVSA-N 0 0 337.423 3.889 50 30 EHEARN N#Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002636633 209879324 /nfs/dbraw/zinc/87/93/24/209879324.db2.gz WRQGGBNUGJPTDA-UHFFFAOYSA-N 0 0 349.173 3.661 50 30 EHEARN C=CCOC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc21 ZINC000002368127 209844837 /nfs/dbraw/zinc/84/48/37/209844837.db2.gz OJLTUVIZKPOXNV-UHFFFAOYSA-N 0 0 338.411 3.556 50 30 EHEARN CC[C@@H](OC)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000068723252 215329424 /nfs/dbraw/zinc/32/94/24/215329424.db2.gz IRAYTZPOAQUIAX-MWLCHTKSSA-N 0 0 342.342 3.916 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=S ZINC000001135753 209713169 /nfs/dbraw/zinc/71/31/69/209713169.db2.gz AREFIWLVIVXZAR-PTNGSMBKSA-N 0 0 348.468 3.813 50 30 EHEARN C=CCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)CC ZINC000036114762 213070017 /nfs/dbraw/zinc/07/00/17/213070017.db2.gz MNAZTLBVLKNYRF-UHFFFAOYSA-N 0 0 330.453 3.955 50 30 EHEARN Cc1n[nH]c(C)c1-c1cc(-c2cc(F)c(F)c(F)c2)c(C#N)c(N)n1 ZINC000071748811 215806542 /nfs/dbraw/zinc/80/65/42/215806542.db2.gz OVRDXJIIBWNSQQ-UHFFFAOYSA-N 0 0 343.312 3.627 50 30 EHEARN Cc1c([C@H]2CC2(C)C)nc(N)c(C#N)c1-c1cnc(N(C)C)s1 ZINC000071758977 215814874 /nfs/dbraw/zinc/81/48/74/215814874.db2.gz ZWTPZIPDXXVBNK-LLVKDONJSA-N 0 0 327.457 3.547 50 30 EHEARN Cc1c(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)cc(C#N)n1C ZINC000072167329 216057424 /nfs/dbraw/zinc/05/74/24/216057424.db2.gz GHDDJVVSRBGHSR-SFHVURJKSA-N 0 0 347.422 3.592 50 30 EHEARN N#Cc1ccc(OC(F)F)c(NC(=O)C2=Cc3ccccc3OC2)c1 ZINC000072235906 216075621 /nfs/dbraw/zinc/07/56/21/216075621.db2.gz MXEZAODNVNVYCS-UHFFFAOYSA-N 0 0 342.301 3.574 50 30 EHEARN COc1ccc([C@@H](Nc2cccc(F)c2C#N)c2nccn2C)cc1 ZINC000028620620 212627767 /nfs/dbraw/zinc/62/77/67/212627767.db2.gz IUNFELLGJBSFAI-GOSISDBHSA-N 0 0 336.370 3.641 50 30 EHEARN CC(=O)c1cc(C#N)c(SCC(=O)Nc2cccc(C)c2)nc1C ZINC000000048901 209389440 /nfs/dbraw/zinc/38/94/40/209389440.db2.gz CQBOBAGKGAMOGS-UHFFFAOYSA-N 0 0 339.420 3.504 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(CC)s1 ZINC000000043769 209386952 /nfs/dbraw/zinc/38/69/52/209386952.db2.gz XLRVOXRFECQUFJ-SFHVURJKSA-N 0 0 345.464 3.842 50 30 EHEARN CCCNc1ccc(C#N)cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000075092562 216551073 /nfs/dbraw/zinc/55/10/73/216551073.db2.gz RIUVWEKYKZAOCJ-RDTXWAMCSA-N 0 0 329.444 3.914 50 30 EHEARN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccccn1 ZINC000230101393 242230730 /nfs/dbraw/zinc/23/07/30/242230730.db2.gz WPFTXERAYGFMQS-KKUMJFAQSA-N 0 0 341.208 3.824 50 30 EHEARN Cn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)c2ccccc21 ZINC000020650415 212160322 /nfs/dbraw/zinc/16/03/22/212160322.db2.gz RHINQRBCRDNFRI-VXLYETTFSA-N 0 0 348.402 3.562 50 30 EHEARN Cc1cc([O-])c(C[NH+](C)C)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000020573541 212148672 /nfs/dbraw/zinc/14/86/72/212148672.db2.gz IVLGOVLZKJMXOC-SXGWCWSVSA-N 0 0 327.355 3.518 50 30 EHEARN CC[NH+](CC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020573566 212148764 /nfs/dbraw/zinc/14/87/64/212148764.db2.gz RMYXGKKVHZITRM-YVLHZVERSA-N 0 0 338.407 3.554 50 30 EHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(F)c1)O2 ZINC000020533483 212144681 /nfs/dbraw/zinc/14/46/81/212144681.db2.gz GTTIBNMVGUDZQB-WQRHYEAKSA-N 0 0 341.382 3.989 50 30 EHEARN CNc1ccccc(C(=O)/C=C/c2ccccc2Br)c1=O ZINC000019909641 212082315 /nfs/dbraw/zinc/08/23/15/212082315.db2.gz RZWNIEVRGRWJNM-ZHACJKMWSA-N 0 0 344.208 3.747 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F ZINC000016741395 211933085 /nfs/dbraw/zinc/93/30/85/211933085.db2.gz KQAUONWUKROHKM-HNNXBMFYSA-N 0 0 343.379 3.652 50 30 EHEARN N#Cc1ccc(NCc2ccnc(OC3CCOCC3)c2)cc1Cl ZINC000079097125 217191788 /nfs/dbraw/zinc/19/17/88/217191788.db2.gz ADFBXOXBWUVVRU-UHFFFAOYSA-N 0 0 343.814 3.777 50 30 EHEARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC#N)cc1 ZINC000013758735 211633201 /nfs/dbraw/zinc/63/32/01/211633201.db2.gz HNRZDNFXDSDREU-PWRODBHTSA-N 0 0 341.499 3.724 50 30 EHEARN CN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1nccs1 ZINC000013718377 211618639 /nfs/dbraw/zinc/61/86/39/211618639.db2.gz CHPNMQVUQZPQEM-IFUUTMBKSA-N 0 0 340.433 3.858 50 30 EHEARN O=[N+]([O-])c1ccccc1NN=Cc1c(F)c(F)c(F)c(F)c1F ZINC000013512205 211569222 /nfs/dbraw/zinc/56/92/22/211569222.db2.gz UZNXRPNAZGKOED-IPKBDRFQSA-N 0 0 331.200 3.736 50 30 EHEARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000012987185 211501464 /nfs/dbraw/zinc/50/14/64/211501464.db2.gz CSCMFUFTVZHXOL-ZIAGYGMSSA-N 0 0 334.375 3.949 50 30 EHEARN C=CCn1c(CN(C)CC(C)C)nnc1SCc1cccc(F)c1 ZINC000012280852 211333133 /nfs/dbraw/zinc/33/31/33/211333133.db2.gz GSNKGWCWMGUJPX-UHFFFAOYSA-N 0 0 348.491 3.983 50 30 EHEARN O=c1[nH]c2ccccc2nc1C(=[NH+][N-]c1ccccc1)c1ccccc1 ZINC000009011747 211030994 /nfs/dbraw/zinc/03/09/94/211030994.db2.gz RNBMLKHCKWYXSV-NCELDCMTSA-N 0 0 340.386 3.788 50 30 EHEARN O=C(/C=C\c1c(F)cccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000096400994 218749081 /nfs/dbraw/zinc/74/90/81/218749081.db2.gz IGGKGQQSEGHTEF-HJWRWDBZSA-N 0 0 329.302 3.818 50 30 EHEARN Fc1cccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c1 ZINC000005998622 210574071 /nfs/dbraw/zinc/57/40/71/210574071.db2.gz XCMBJTBTIIVOTK-GIJQJNRQSA-N 0 0 332.791 3.909 50 30 EHEARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000005108616 210391082 /nfs/dbraw/zinc/39/10/82/210391082.db2.gz XKKGBNWWQAIPND-LLVKDONJSA-N 0 0 330.771 3.626 50 30 EHEARN N#CCCCC[S@](=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000097083684 218945048 /nfs/dbraw/zinc/94/50/48/218945048.db2.gz OZUNGYDPEVLYRI-HXUWFJFHSA-N 0 0 330.240 3.584 50 30 EHEARN O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1ccccc1 ZINC000005009941 210360388 /nfs/dbraw/zinc/36/03/88/210360388.db2.gz AHFPSRNAHGXCRN-SKCQWOFPSA-N 0 0 343.839 3.504 50 30 EHEARN Cc1ccc(NN=C2c3cc(Br)ccc3NC2=O)c(C)c1 ZINC000004992012 210352426 /nfs/dbraw/zinc/35/24/26/210352426.db2.gz KNEKWWSAGJMXLS-UHFFFAOYSA-N 0 0 344.212 3.834 50 30 EHEARN C[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004902072 210317506 /nfs/dbraw/zinc/31/75/06/210317506.db2.gz OPKYFZMKAXOIAK-BDVIWPHNSA-N 0 0 341.411 3.680 50 30 EHEARN COc1ccc(/C=C/c2nc(C#N)c(N3CCCCC3)o2)cc1OC ZINC000004855709 210302289 /nfs/dbraw/zinc/30/22/89/210302289.db2.gz OLWQOCOSSYTIGM-VQHVLOKHSA-N 0 0 339.395 3.724 50 30 EHEARN COC(=O)c1sc(NC(=O)CCCc2ccccc2)c(C#N)c1C ZINC000004749854 210270189 /nfs/dbraw/zinc/27/01/89/210270189.db2.gz YASIHZGTMSTCRQ-UHFFFAOYSA-N 0 0 342.420 3.676 50 30 EHEARN CCN(CC1CCOCC1)C(=O)c1ccc(-c2cccc(C#N)n2)cc1 ZINC000426478698 257966700 /nfs/dbraw/zinc/96/67/00/257966700.db2.gz IFQJBQSLZRRHBX-UHFFFAOYSA-N 0 0 349.434 3.509 50 30 EHEARN COc1ccc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)o2)cc1OC ZINC000278669659 257940105 /nfs/dbraw/zinc/94/01/05/257940105.db2.gz XPYUWBSLJYJHBX-PWSUYJOCSA-N 0 0 331.397 3.538 50 30 EHEARN Cc1ccc(C(=O)c2ccsc2NC(=O)CCn2ccnn2)cc1 ZINC000330032842 258002569 /nfs/dbraw/zinc/00/25/69/258002569.db2.gz SGKQOFSETIJKPE-UHFFFAOYSA-N 0 0 340.408 3.557 50 30 EHEARN C#CCN(C(=O)/C=C/c1c(Cl)nc2sccn12)C1CCCCC1 ZINC000065777596 258011608 /nfs/dbraw/zinc/01/16/08/258011608.db2.gz AEMIKUBOPFJQFS-CMDGGOBGSA-N 0 0 347.871 3.857 50 30 EHEARN C=CC[N@@H+](Cc1ccc(OC)c(C(=O)[O-])c1)Cc1ccccc1C ZINC000055088971 258014751 /nfs/dbraw/zinc/01/47/51/258014751.db2.gz KBOSVDUUWFFHCH-UHFFFAOYSA-N 0 0 325.408 3.890 50 30 EHEARN OCCC#Cc1ccc(-c2nccn2-c2cnc3ccccc3c2)cc1 ZINC000072161350 258015353 /nfs/dbraw/zinc/01/53/53/258015353.db2.gz OFOHGHMGDQSGHN-UHFFFAOYSA-N 0 0 339.398 3.821 50 30 EHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2[nH]cnc2c1 ZINC000031080923 258016053 /nfs/dbraw/zinc/01/60/53/258016053.db2.gz IVTSNEOWZDDLKU-UHFFFAOYSA-N 0 0 338.370 3.610 50 30 EHEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 ZINC000000308039 258017349 /nfs/dbraw/zinc/01/73/49/258017349.db2.gz CVHXNJZLGRNKAJ-UHFFFAOYSA-N 0 0 336.420 3.501 50 30 EHEARN C=CCOc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 ZINC000007781066 258017768 /nfs/dbraw/zinc/01/77/68/258017768.db2.gz FWFKLQPVYYGNLN-UHFFFAOYSA-N 0 0 349.390 3.540 50 30 EHEARN Cc1ccc2[nH]c3nc(N=NC=CCc4ccccc4)nnc3c2c1 ZINC000006131885 258051791 /nfs/dbraw/zinc/05/17/91/258051791.db2.gz NFUJXGSEGVGFLY-JNJFRLMHSA-N 0 0 328.379 3.926 50 30 EHEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)cc1 ZINC000019923555 258057323 /nfs/dbraw/zinc/05/73/23/258057323.db2.gz KVXMBXATICMDEQ-KSSFIOAISA-N 0 0 345.439 3.893 50 30 EHEARN Cc1nc([C@@H](C)N(C)C(=O)Nc2ccc(C#N)cc2F)c(C)s1 ZINC000299756942 258074793 /nfs/dbraw/zinc/07/47/93/258074793.db2.gz DYENMUUBGKNUPP-SECBINFHSA-N 0 0 332.404 3.996 50 30 EHEARN C#CCOCC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049028899 518297199 /nfs/dbraw/zinc/29/71/99/518297199.db2.gz QEHYWCQHLRNAJO-UHFFFAOYSA-N 0 0 341.238 3.887 50 30 EHEARN C#CCOc1ccc(/C=C2\SC(=O)N(CCC)C2=O)cc1OCC ZINC000002168145 518321329 /nfs/dbraw/zinc/32/13/29/518321329.db2.gz SDQOKBQDYXPLKQ-VBKFSLOCSA-N 0 0 345.420 3.544 50 30 EHEARN C=C(C)C[C@H](C)C(=O)Nc1ccc(I)c(C)n1 ZINC000185984417 518635983 /nfs/dbraw/zinc/63/59/83/518635983.db2.gz KJDOUXYGANDDAG-VIFPVBQESA-N 0 0 344.196 3.535 50 30 EHEARN CCCC(NCCc1c(C)[nH]c2ccccc21)=C1C(=O)CCCC1=O ZINC000100148053 519885137 /nfs/dbraw/zinc/88/51/37/519885137.db2.gz GYIBJVHBJIHLCS-UHFFFAOYSA-N 0 0 338.451 3.985 50 30 EHEARN CCCCCNC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000005524591 520178446 /nfs/dbraw/zinc/17/84/46/520178446.db2.gz AIOPVKGOEJERQI-UHFFFAOYSA-N 0 0 330.453 3.602 50 30 EHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2cccc(OC)c2)c1C ZINC000096843718 521358801 /nfs/dbraw/zinc/35/88/01/521358801.db2.gz KCKWOJRAVPWDLL-KTKRTIGZSA-N 0 0 327.380 3.713 50 30 EHEARN COc1cc(/C(C)=N\OC(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000016292070 521923595 /nfs/dbraw/zinc/92/35/95/521923595.db2.gz WWQQCRAUYAGGKW-MOSHPQCFSA-N 0 0 343.379 3.602 50 30 EHEARN COc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1OC1CCCC1 ZINC000183298990 523598865 /nfs/dbraw/zinc/59/88/65/523598865.db2.gz PAJRIIRPHVVIDP-UHFFFAOYSA-N 0 0 328.412 3.535 50 30 EHEARN Cc1ccccc1OCCn1cc(/C=N/n2cnnc2)c2ccccc21 ZINC000004663139 525306088 /nfs/dbraw/zinc/30/60/88/525306088.db2.gz LIVPYXRGGCSVGX-FSJBWODESA-N 0 0 345.406 3.502 50 30 EHEARN Cc1cc(OCCCC(=O)N[C@@](C)(C#N)CN(C)C)ccc1Cl ZINC000328595060 525369683 /nfs/dbraw/zinc/36/96/83/525369683.db2.gz JSCQVGWEBBAUML-KRWDZBQOSA-N 0 0 337.851 3.608 50 30 EHEARN COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C)c1 ZINC000082097272 525776742 /nfs/dbraw/zinc/77/67/42/525776742.db2.gz FZXGFAMYWDDOFX-UHFFFAOYSA-N 0 0 341.411 3.812 50 30 EHEARN Cc1cc(-c2ccccc2)nc(N=NCc2ccccc2[N+](=O)[O-])n1 ZINC000005362378 526044084 /nfs/dbraw/zinc/04/40/84/526044084.db2.gz QHLWBESVURVROX-XDHOZWIPSA-N 0 0 333.351 3.806 50 30 EHEARN O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000000216731 526413256 /nfs/dbraw/zinc/41/32/56/526413256.db2.gz JQEMGCIEJLNKSV-UZYVYHOESA-N 0 0 347.330 3.599 50 30 EHEARN N#CCCn1c(SCC(=O)c2cccs2)nc2ccccc21 ZINC000012547456 526465035 /nfs/dbraw/zinc/46/50/35/526465035.db2.gz ZRKTUMPYIZCAHZ-UHFFFAOYSA-N 0 0 327.434 3.986 50 30 EHEARN N#CCCn1cc(C(=O)CN2CCc3ccccc3C2)c2ccccc21 ZINC000035279431 526466985 /nfs/dbraw/zinc/46/69/85/526466985.db2.gz SDYPTZNDLXSVFA-UHFFFAOYSA-N 0 0 343.430 3.796 50 30 EHEARN O=C(COc1ccc2c(c1)CCC2)Nc1n[nH]c(-c2ccccc2)n1 ZINC000025154449 527587367 /nfs/dbraw/zinc/58/73/67/527587367.db2.gz VABPMXNJLMPQNR-UHFFFAOYSA-N 0 0 334.379 3.627 50 30 EHEARN Cn1nccc1C(=O)/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000006827512 527592947 /nfs/dbraw/zinc/59/29/47/527592947.db2.gz KVZRSCHATKQMGA-MDZDMXLPSA-N 0 0 348.402 3.977 50 30 EHEARN COc1ccc(/C=C2\N=C(SC)SC2=O)cc1Br ZINC000000199582 563258339 /nfs/dbraw/zinc/25/83/39/563258339.db2.gz WEBQBZVQQKVABN-TWGQIWQCSA-N 0 0 344.255 3.791 50 30 EHEARN Cc1cc(C)c2c(n1)sc1c2ncn(/N=C/c2ccccc2)c1=O ZINC000000159110 563248508 /nfs/dbraw/zinc/24/85/08/563248508.db2.gz BBWAZXJXXOORQC-AWQFTUOYSA-N 0 0 334.404 3.505 50 30 EHEARN CNC1=C(c2ccc(C(F)(F)F)cc2)C(=O)[C@@H](c2ccccc2)O1 ZINC000001392875 563386066 /nfs/dbraw/zinc/38/60/66/563386066.db2.gz BUTVANDMTMJLII-MRXNPFEDSA-N 0 0 333.309 3.934 50 30 EHEARN C=CCNc1nc2ccc(C)cc2c2nnc(-c3ccccc3OC)n21 ZINC000034699710 563453974 /nfs/dbraw/zinc/45/39/74/563453974.db2.gz HXSIMGYBYGCVIK-UHFFFAOYSA-N 0 0 345.406 3.859 50 30 EHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000003098405 563471882 /nfs/dbraw/zinc/47/18/82/563471882.db2.gz TWYGQHHPMFLTHY-SFHVURJKSA-N 0 0 343.423 3.837 50 30 EHEARN CC(=CN=Nc1nnc2c3cccc(C)c3[nH]c2n1)Cc1ccco1 ZINC000005730770 563547720 /nfs/dbraw/zinc/54/77/20/563547720.db2.gz VFOWIXFMLWVSKX-CQZKQNGQSA-N 0 0 332.367 3.909 50 30 EHEARN Cc1ccsc1C=NN1C(=S)N=NC1c1ccc(N(C)C)cc1 ZINC000005926984 563554391 /nfs/dbraw/zinc/55/43/91/563554391.db2.gz AVDHCGVFSPPNKF-LICLKQGHSA-N 0 0 343.481 3.552 50 30 EHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 ZINC000006493590 563570064 /nfs/dbraw/zinc/57/00/64/563570064.db2.gz OMFNLFWKEFHWSF-HNNXBMFYSA-N 0 0 345.757 3.687 50 30 EHEARN CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1 ZINC000013113832 563688126 /nfs/dbraw/zinc/68/81/26/563688126.db2.gz KSNLKMALODNDCO-BOPFTXTBSA-N 0 0 337.375 3.980 50 30 EHEARN N#Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1 ZINC000015640997 563789149 /nfs/dbraw/zinc/78/91/49/563789149.db2.gz PODIBXOKTHKUOV-UHFFFAOYSA-N 0 0 336.782 3.709 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F ZINC000016741394 563822124 /nfs/dbraw/zinc/82/21/24/563822124.db2.gz KQAUONWUKROHKM-OAHLLOKOSA-N 0 0 343.379 3.652 50 30 EHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000018152877 563849735 /nfs/dbraw/zinc/84/97/35/563849735.db2.gz AOFCQCVBWOGDLH-KRWDZBQOSA-N 0 0 325.408 3.608 50 30 EHEARN Cc1ccc(C(=O)ONC(=N)c2ccc(Br)cc2)cc1C ZINC000018172994 563850300 /nfs/dbraw/zinc/85/03/00/563850300.db2.gz LDEQWNMZRYQTAB-UHFFFAOYSA-N 0 0 347.212 3.543 50 30 aggregator EHEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000057523333 563935562 /nfs/dbraw/zinc/93/55/62/563935562.db2.gz FMIPQGVALOTFEB-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN CC(C)n1cc(Br)cc1C(=O)N(CC#N)C1CCCC1 ZINC000096431175 563952638 /nfs/dbraw/zinc/95/26/38/563952638.db2.gz XNAKIQVYMWHOLS-UHFFFAOYSA-N 0 0 338.249 3.740 50 30 EHEARN N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1C(F)(F)F ZINC000096443152 563953201 /nfs/dbraw/zinc/95/32/01/563953201.db2.gz UIQKHHLIWOIWIZ-KBPBESRZSA-N 0 0 331.297 3.714 50 30 EHEARN COc1cc2c(cc1OC)[C@H]1CC(=O)C3=C(C=C(C)CC3)N1CC2 ZINC000071769145 563965586 /nfs/dbraw/zinc/96/55/86/563965586.db2.gz SDRNAXVKUQBIAU-QGZVFWFLSA-N 0 0 325.408 3.570 50 30 EHEARN C[C@H]1CC[C@H](C)N1C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC000097235044 563970838 /nfs/dbraw/zinc/97/08/38/563970838.db2.gz DGNJAORZOJRFKX-GJZGRUSLSA-N 0 0 334.423 3.578 50 30 EHEARN N#Cc1cccc(-c2nccn2CC[C@@H]2COc3ccccc3O2)c1 ZINC000071767563 563983081 /nfs/dbraw/zinc/98/30/81/563983081.db2.gz BINIKWHWPAPKHV-QGZVFWFLSA-N 0 0 331.375 3.652 50 30 EHEARN CCOc1ccccc1OCC(=O)Nc1sc(C)c(C)c1C#N ZINC000014117829 563983247 /nfs/dbraw/zinc/98/32/47/563983247.db2.gz JADPSUJCBOOSFR-UHFFFAOYSA-N 0 0 330.409 3.653 50 30 EHEARN COc1cc(C#N)ccc1CN[C@H](c1nccs1)c1ccccc1 ZINC000158084027 563983427 /nfs/dbraw/zinc/98/34/27/563983427.db2.gz MPZQBXZDUQIYLI-SFHVURJKSA-N 0 0 335.432 3.903 50 30 EHEARN CC(C)n1cc(C#N)c(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)n1 ZINC000119979398 563983896 /nfs/dbraw/zinc/98/38/96/563983896.db2.gz ADFUFWTZEJUADG-UKRRQHHQSA-N 0 0 341.415 3.934 50 30 EHEARN COc1ccccc1/C=N/n1cnnc1SCc1ccc(C)cc1 ZINC000000147679 563987260 /nfs/dbraw/zinc/98/72/60/563987260.db2.gz KLVHAUROOXEKLR-RGVLZGJSSA-N 0 0 338.436 3.770 50 30 EHEARN C=CCc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c1 ZINC000000246577 563989411 /nfs/dbraw/zinc/98/94/11/563989411.db2.gz JYENPPINJKCBPU-HYARGMPZSA-N 0 0 347.418 3.669 50 30 EHEARN O=C1c2ccccc2S/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000291665 563990288 /nfs/dbraw/zinc/99/02/88/563990288.db2.gz MWPUTNKTIZQYAO-UUASQNMZSA-N 0 0 327.317 3.653 50 30 EHEARN CCOc1ccc2nc(/N=C3\N=C(C)CC(C)(C)N3)nc(C)c2c1 ZINC000000295626 563990331 /nfs/dbraw/zinc/99/03/31/563990331.db2.gz YBWXFWNLYXDWFJ-UHFFFAOYSA-N 0 0 325.416 3.557 50 30 biogenic EHEARN COC(=O)C(CC(=O)c1ccc(Cl)cc1)=Nc1ccc(OC)cc1 ZINC000100274413 563992062 /nfs/dbraw/zinc/99/20/62/563992062.db2.gz QSUMOOCZBYWKBJ-LFIBNONCSA-N 0 0 345.782 3.700 50 30 EHEARN C=C[C@@](C)(CC)C(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000408520221 563993065 /nfs/dbraw/zinc/99/30/65/563993065.db2.gz VGKQXXPPKUVORC-MJGOQNOKSA-N 0 0 337.410 3.839 50 30 EHEARN C=CCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccccc1-2 ZINC000002603011 563994416 /nfs/dbraw/zinc/99/44/16/563994416.db2.gz PREZZVDIIXVFMA-OAHLLOKOSA-N 0 0 338.392 3.913 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1OC ZINC000000428089 563998869 /nfs/dbraw/zinc/99/88/69/563998869.db2.gz CYMZGBHTMRBKGS-DNVCBOLYSA-N 0 0 340.375 3.608 50 30 EHEARN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC#N ZINC000005201120 564000556 /nfs/dbraw/zinc/00/05/56/564000556.db2.gz MRKQBLMHPUMZCC-YBFXNURJSA-N 0 0 338.392 3.653 50 30 EHEARN O=C(CSc1cccc2cccc(Cl)c21)N=C1NCCS1 ZINC000002651400 564003963 /nfs/dbraw/zinc/00/39/63/564003963.db2.gz RKRYZFJQKCKRCN-UHFFFAOYSA-N 0 0 336.869 3.804 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000005455813 564004354 /nfs/dbraw/zinc/00/43/54/564004354.db2.gz ZLHIBKOWMNNATL-UDWIEESQSA-N 0 0 330.395 3.811 50 30 EHEARN COc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1 ZINC000005559016 564005489 /nfs/dbraw/zinc/00/54/89/564005489.db2.gz GOQNWRCLDGRRMY-UHFFFAOYSA-N 0 0 335.388 3.943 50 30 EHEARN Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C#N ZINC000000142681 564014551 /nfs/dbraw/zinc/01/45/51/564014551.db2.gz RNFUIUSGODYAFW-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN O=C1C=C/C(=N/S(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000103879724 564023193 /nfs/dbraw/zinc/02/31/93/564023193.db2.gz XUZWYUWDXWVLHD-VZCXRCSSSA-N 0 0 347.395 3.770 50 30 EHEARN CCOC(=O)c1cc(C#N)c(SCCc2ccccc2)nc1C ZINC000018335840 564024177 /nfs/dbraw/zinc/02/41/77/564024177.db2.gz KONSYDCCFVZHOV-UHFFFAOYSA-N 0 0 326.421 3.773 50 30 EHEARN C[C@H](c1ccccc1Cl)N(CC(=O)NC1(C#N)CCCC1)C1CC1 ZINC000047257499 564026026 /nfs/dbraw/zinc/02/60/26/564026026.db2.gz JZRUMTYKBRONON-CQSZACIVSA-N 0 0 345.874 3.818 50 30 EHEARN C[C@@H]1CCc2sc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2C1 ZINC000047343222 564026139 /nfs/dbraw/zinc/02/61/39/564026139.db2.gz XPVUEHTYJXHWIG-SNVBAGLBSA-N 0 0 339.424 3.689 50 30 EHEARN Cc1nn(C)cc1C(=O)/C=C/c1ccc(OCc2cscn2)cc1 ZINC000047380260 564026186 /nfs/dbraw/zinc/02/61/86/564026186.db2.gz GQNPUXGQUANTGA-VMPITWQZSA-N 0 0 339.420 3.660 50 30 EHEARN O=[N+]([O-])c1ccc([C@@H](O)C/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000108965911 564028571 /nfs/dbraw/zinc/02/85/71/564028571.db2.gz HLVVYZODVRPTMT-WKRCLWGVSA-N 0 0 336.347 3.606 50 30 EHEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2)cc1 ZINC000046127054 564029641 /nfs/dbraw/zinc/02/96/41/564029641.db2.gz ZFYITBMKBNFTDT-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN N#Cc1cccc(NC(=O)COc2cccc(Oc3ccccn3)c2)c1 ZINC000024732647 564033587 /nfs/dbraw/zinc/03/35/87/564033587.db2.gz WUHGWCUIEDRLLL-UHFFFAOYSA-N 0 0 345.358 3.763 50 30 EHEARN Cc1cccc(C(=O)N(CCC#N)CC(F)(F)F)c1Br ZINC000125431542 564051418 /nfs/dbraw/zinc/05/14/18/564051418.db2.gz ZCSXXASTJLWBRX-UHFFFAOYSA-N 0 0 349.150 3.676 50 30 EHEARN COc1ccc(CN/C=C2\Sc3ccccc3C2=O)cc1OC ZINC000136949770 564052223 /nfs/dbraw/zinc/05/22/23/564052223.db2.gz CIHMZACSPUANOL-BOPFTXTBSA-N 0 0 327.405 3.623 50 30 EHEARN CC(C)c1nccn1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000182813850 564056394 /nfs/dbraw/zinc/05/63/94/564056394.db2.gz HDAQTFRSBPZWEX-UHFFFAOYSA-N 0 0 330.819 3.607 50 30 EHEARN N#CC1(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CCC1 ZINC000084585303 564068826 /nfs/dbraw/zinc/06/88/26/564068826.db2.gz IJGNVFUFZFYWTL-UHFFFAOYSA-N 0 0 330.391 3.540 50 30 EHEARN C=CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000001927980 564074778 /nfs/dbraw/zinc/07/47/78/564074778.db2.gz VNZNXFVYTWJGSZ-UHFFFAOYSA-N 0 0 340.448 3.795 50 30 EHEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1 ZINC000002402312 564074868 /nfs/dbraw/zinc/07/48/68/564074868.db2.gz IESKQYSHWVGSOF-GOSISDBHSA-N 0 0 347.370 3.533 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1Cl ZINC000012870325 564076366 /nfs/dbraw/zinc/07/63/66/564076366.db2.gz ZOBQZRRQYVAVLU-UHFFFAOYSA-N 0 0 339.782 3.834 50 30 EHEARN Cc1ccc(-c2nc(NC(=O)COc3ccccc3F)n[nH]2)cc1 ZINC000012932538 564078900 /nfs/dbraw/zinc/07/89/00/564078900.db2.gz OMTHDEWXQQCVEB-UHFFFAOYSA-N 0 0 326.331 3.586 50 30 EHEARN N#C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC000075093769 564080009 /nfs/dbraw/zinc/08/00/09/564080009.db2.gz ZNZQUOCQKMNBQH-INIZCTEOSA-N 0 0 334.366 3.516 50 30 EHEARN CO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000075134426 564080537 /nfs/dbraw/zinc/08/05/37/564080537.db2.gz YSVVFVBDLOWCIY-VIFPVBQESA-N 0 0 332.347 3.685 50 30 EHEARN CCOC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F ZINC000001644562 564081987 /nfs/dbraw/zinc/08/19/87/564081987.db2.gz KGMLTQCQTSEXKL-UHFFFAOYSA-N 0 0 348.218 3.805 50 30 EHEARN COC(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)o1 ZINC000091208578 564087458 /nfs/dbraw/zinc/08/74/58/564087458.db2.gz OAGSKAADTJLGQK-UHFFFAOYSA-N 0 0 332.381 3.549 50 30 EHEARN COc1ccc(-c2cc(-c3ccccc3)[n-]c(=O)c2C#N)cc1OC ZINC000006470435 564089405 /nfs/dbraw/zinc/08/94/05/564089405.db2.gz UTOLFOLCKSSKQQ-UHFFFAOYSA-N 0 0 332.359 3.598 50 30 EHEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cc1c(F)cccc1Cl ZINC000006651067 564095437 /nfs/dbraw/zinc/09/54/37/564095437.db2.gz GXMSSXCQQHSHBU-GFCCVEGCSA-N 0 0 341.773 3.785 50 30 EHEARN Cc1cccc(-n2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)c1 ZINC000006662664 564095641 /nfs/dbraw/zinc/09/56/41/564095641.db2.gz SAOBOQRSRFAIFJ-UHFFFAOYSA-N 0 0 325.437 3.820 50 30 EHEARN CCc1nc(-c2cccc(NC(=O)c3ccc(C#N)cc3F)c2)no1 ZINC000064844785 564096846 /nfs/dbraw/zinc/09/68/46/564096846.db2.gz UYAFJABCHXCQKT-UHFFFAOYSA-N 0 0 336.326 3.562 50 30 EHEARN CCC(=O)c1cc(Cl)ccc1OCC(=O)NC1(C#N)CCCCC1 ZINC000007215945 564105815 /nfs/dbraw/zinc/10/58/15/564105815.db2.gz AYZARBJEWRVDDE-UHFFFAOYSA-N 0 0 348.830 3.654 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1cccc(C#N)c1 ZINC000065519523 564106828 /nfs/dbraw/zinc/10/68/28/564106828.db2.gz HNRGQOZURNFLEJ-UHFFFAOYSA-N 0 0 345.406 3.683 50 30 EHEARN N#CCCn1ccc(NC(=O)Nc2ccccc2-c2ccncc2)n1 ZINC000170605363 564109504 /nfs/dbraw/zinc/10/95/04/564109504.db2.gz UZXSNZOYKUDORJ-UHFFFAOYSA-N 0 0 332.367 3.503 50 30 EHEARN CCc1nc([C@@H]2CCCN2Cc2cc(Cl)ccc2OCC#N)no1 ZINC000076016947 564114333 /nfs/dbraw/zinc/11/43/33/564114333.db2.gz WWRUMEGCOPVOOC-AWEZNQCLSA-N 0 0 346.818 3.525 50 30 EHEARN O=[N+]([O-])c1ccc(N=NCc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000252622869 564122965 /nfs/dbraw/zinc/12/29/65/564122965.db2.gz OELWFLCBBGTKTN-UHFFFAOYSA-N 0 0 343.324 3.559 50 30 EHEARN O=[N+]([O-])c1ccc(-c2cnc(N=NCc3ccc(F)cc3)nc2)cc1 ZINC000252624217 564123171 /nfs/dbraw/zinc/12/31/71/564123171.db2.gz PJCZXZYUZNOWNO-UHFFFAOYSA-N 0 0 337.314 3.637 50 30 EHEARN N#Cc1c(Cl)csc1NC(=O)c1cc2ccccc2c(=O)o1 ZINC000253395403 564130513 /nfs/dbraw/zinc/13/05/13/564130513.db2.gz KPYQQBNJTUDHGM-UHFFFAOYSA-N 0 0 330.752 3.632 50 30 EHEARN C=CCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC ZINC000002313228 564132214 /nfs/dbraw/zinc/13/22/14/564132214.db2.gz UEMWHBYALRKVHV-VBKFSLOCSA-N 0 0 335.359 3.605 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000000311557 564133127 /nfs/dbraw/zinc/13/31/27/564133127.db2.gz QMNMYGXEDVZBMQ-SNVBAGLBSA-N 0 0 341.392 3.905 50 30 EHEARN N#Cc1c(NC(=O)c2cccc(OC(F)F)c2)sc2c1CCC2 ZINC000000374232 564133161 /nfs/dbraw/zinc/13/31/61/564133161.db2.gz YYZSIQQKUSTPQH-UHFFFAOYSA-N 0 0 334.347 3.962 50 30 EHEARN N#Cc1cccnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000007051607 564133855 /nfs/dbraw/zinc/13/38/55/564133855.db2.gz RTRRZOYVIPTJOU-UHFFFAOYSA-N 0 0 337.326 3.703 50 30 EHEARN N#Cc1cccnc1N1CCC(CO)(CCCc2ccccc2)CC1 ZINC000067840075 564134914 /nfs/dbraw/zinc/13/49/14/564134914.db2.gz YHWKEKHVVZDANJ-UHFFFAOYSA-N 0 0 335.451 3.555 50 30 EHEARN CC(C)c1csc([C@H](C#N)C(=O)c2cccc(-c3nc[nH]n3)c2)n1 ZINC000225470475 564135029 /nfs/dbraw/zinc/13/50/29/564135029.db2.gz FPZBGRYGOVPIGK-CYBMUJFWSA-N 0 0 337.408 3.542 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)O[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012944895 564135694 /nfs/dbraw/zinc/13/56/94/564135694.db2.gz UPRUOKFAVULMIL-QGZVFWFLSA-N 0 0 328.751 3.941 50 30 EHEARN CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2noc(C)n2)cc1 ZINC000328588039 564136603 /nfs/dbraw/zinc/13/66/03/564136603.db2.gz MLXGWVJDWGKIQF-ABAIWWIYSA-N 0 0 346.456 3.912 50 30 EHEARN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC000328594574 564136813 /nfs/dbraw/zinc/13/68/13/564136813.db2.gz VKHZJXAFIZIMEY-AYDFFVQHSA-N 0 0 342.361 3.625 50 30 EHEARN C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N(C)CCC#N ZINC000079030671 564137703 /nfs/dbraw/zinc/13/77/03/564137703.db2.gz OSZZAFOSMIBXRQ-OAHLLOKOSA-N 0 0 348.406 3.523 50 30 EHEARN CCn1c2ccccc2nc1SCC(=O)N[C@@]1(C)CCCOC1 ZINC000329192154 564137859 /nfs/dbraw/zinc/13/78/59/564137859.db2.gz SQYJBTIHULCYGI-KRWDZBQOSA-N 0 0 333.457 3.674 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000079361756 564138191 /nfs/dbraw/zinc/13/81/91/564138191.db2.gz PTXGMUTUWNHZDN-HNNXBMFYSA-N 0 0 333.391 3.511 50 30 EHEARN CC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cc(C#N)ccc1C ZINC000095963798 564142860 /nfs/dbraw/zinc/14/28/60/564142860.db2.gz IRLCNLGYGWDPDQ-KRWDZBQOSA-N 0 0 340.448 3.787 50 30 EHEARN Cc1cc(NC(=O)/C=C\c2cccc(OC(C)C)c2)n(CCC#N)n1 ZINC000096189934 564145917 /nfs/dbraw/zinc/14/59/17/564145917.db2.gz CKVYDWRSLPOYOT-HJWRWDBZSA-N 0 0 338.411 3.544 50 30 EHEARN COc1cc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)ccc1O ZINC000096400712 564147049 /nfs/dbraw/zinc/14/70/49/564147049.db2.gz KUQPXFCDVVJOJD-CLFYSBASSA-N 0 0 332.359 3.754 50 30 EHEARN CC(Cn1nc(C)cc1C)=NOCc1cc(-c2cccs2)on1 ZINC000254592952 564150391 /nfs/dbraw/zinc/15/03/91/564150391.db2.gz IZGPKEOSTWOAKU-UHFFFAOYSA-N 0 0 330.413 3.809 50 30 EHEARN Cn1ncc(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002779598 564152577 /nfs/dbraw/zinc/15/25/77/564152577.db2.gz WMEJVQUFCKGHSU-UHFFFAOYSA-N 0 0 334.832 3.528 50 30 EHEARN C[C@@H](Sc1ncc(C#N)c(N)n1)c1ccc(OC(F)(F)F)cc1 ZINC000058180462 564157981 /nfs/dbraw/zinc/15/79/81/564157981.db2.gz VONVKBNDBFCHFQ-MRVPVSSYSA-N 0 0 340.330 3.682 50 30 EHEARN Cc1c(Cl)cccc1-n1c(SCC#N)nnc1-c1ccncc1 ZINC000003477169 564158347 /nfs/dbraw/zinc/15/83/47/564158347.db2.gz CHCQUAWDACQETM-UHFFFAOYSA-N 0 0 341.827 3.907 50 30 EHEARN N#Cc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003504062 564158540 /nfs/dbraw/zinc/15/85/40/564158540.db2.gz BVBCXHOLQBMNAS-UHFFFAOYSA-N 0 0 332.772 3.929 50 30 EHEARN N#Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000031662856 564159654 /nfs/dbraw/zinc/15/96/54/564159654.db2.gz KGLDDFUZPZDEJA-UONOGXRCSA-N 0 0 341.333 3.570 50 30 EHEARN C[C@H](Oc1ccc(F)c(F)c1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000068723465 564167655 /nfs/dbraw/zinc/16/76/55/564167655.db2.gz USEGFNYIXSTTND-JQWIXIFHSA-N 0 0 342.301 3.750 50 30 EHEARN N#Cc1ccc(CS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000069421013 564169384 /nfs/dbraw/zinc/16/93/84/564169384.db2.gz NHQXGBLQHQPDFH-UHFFFAOYSA-N 0 0 339.338 3.692 50 30 EHEARN C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000069438986 564169508 /nfs/dbraw/zinc/16/95/08/564169508.db2.gz TUVCFZAWNLJBGE-JTQLQIEISA-N 0 0 326.227 4.000 50 30 EHEARN N#C[C@@H](C(=O)c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cn1 ZINC000041552610 564174067 /nfs/dbraw/zinc/17/40/67/564174067.db2.gz LFORESPBQDGQAE-CYBMUJFWSA-N 0 0 332.281 3.525 50 30 EHEARN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1Br)c1ccccn1 ZINC000071850170 564175977 /nfs/dbraw/zinc/17/59/77/564175977.db2.gz QLVDARAVZQQIMR-RDBSUJKOSA-N 0 0 341.208 3.824 50 30 EHEARN N#Cc1ccccc1OC(=O)c1cccc(OCc2cscn2)c1 ZINC000027447392 568422263 /nfs/dbraw/zinc/42/22/63/568422263.db2.gz VGLZWXWELAVVLL-UHFFFAOYSA-N 0 0 336.372 3.813 50 30 EHEARN CN1C(=O)N(c2ccccc2)[C@H](O/N=C(/C#N)c2ccccc2)C1(C)C ZINC000022203743 1018491198 /nfs/dbraw/zinc/49/11/98/1018491198.db2.gz NXMJVMGIUXXTGB-LFTLAFEGSA-N 0 0 348.406 3.608 50 30 EHEARN CC(=NO)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000257355426 1019066988 /nfs/dbraw/zinc/06/69/88/1019066988.db2.gz APPUXDKAIYXQHD-XCEZYFHXSA-N 0 0 347.499 3.891 50 30 EHEARN CCCOc1c(C=CC(=O)c2cc[nH]c(=O)c2)cccc1OCC ZINC000791431662 1030267528 /nfs/dbraw/zinc/26/75/28/1030267528.db2.gz JKPNEUFNKOECJY-CMDGGOBGSA-N 0 0 327.380 3.871 50 30 EHEARN CC(C)(C)c1n[nH]cc1C=CC(=O)c1cccc(N2CCCC2=O)c1 ZINC000066407103 1035448246 /nfs/dbraw/zinc/44/82/46/1035448246.db2.gz MPLLZKJJNCMEDU-KTKRTIGZSA-N 0 0 337.423 3.730 50 30 EHEARN Cn1ccnc1COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 ZINC000098054922 1039382163 /nfs/dbraw/zinc/38/21/63/1039382163.db2.gz REGUDYSWSXFUDT-WCIBSUBMSA-N 0 0 334.375 3.601 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1c(C)nc3sc(C)cn13)CO2 ZINC000048532149 1042377578 /nfs/dbraw/zinc/37/75/78/1042377578.db2.gz VUEUNWXXHGHZJB-WUXMJOGZSA-N 0 0 340.404 3.680 50 30 EHEARN CCc1nc(-c2cc(NC(=O)c3ccc(C#N)cc3)c(C)s2)no1 ZINC000075351542 1128855874 /nfs/dbraw/zinc/85/58/74/1128855874.db2.gz HSVRWXUWGJBQJP-UHFFFAOYSA-N 0 0 338.392 3.793 50 30 EHEARN C[C@H](c1nc2ccccc2o1)N1CCN(c2ccccc2C#N)CC1 ZINC000181053970 1124497412 /nfs/dbraw/zinc/49/74/12/1124497412.db2.gz CZPOURHCANMOCX-OAHLLOKOSA-N 0 0 332.407 3.583 50 30 EHEARN COCCOc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1 ZINC000109196186 1140149692 /nfs/dbraw/zinc/14/96/92/1140149692.db2.gz HNIARESHXJUKKV-UVTDQMKNSA-N 0 0 328.339 3.510 50 30 EHEARN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3O)S2)cc1 ZINC000004704672 210253067 /nfs/dbraw/zinc/25/30/67/210253067.db2.gz RARVXXCMKOMXIH-LFIBNONCSA-N 0 0 340.404 3.683 50 30 EHEARN C=C(C)COc1ccccc1C(=O)N(C)Cc1cc(C2CC2)n[nH]1 ZINC000055327979 214307801 /nfs/dbraw/zinc/30/78/01/214307801.db2.gz YDTDNDKIZHRURG-UHFFFAOYSA-N 0 0 325.412 3.514 50 30 EHEARN C=CCOc1c(Cl)cc(C(=O)N[C@@H](CC)COC)cc1Cl ZINC000055568889 214330722 /nfs/dbraw/zinc/33/07/22/214330722.db2.gz CVBDFSBRYPEURJ-NSHDSACASA-N 0 0 332.227 3.713 50 30 EHEARN CC(=O)Nc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000055568406 214330951 /nfs/dbraw/zinc/33/09/51/214330951.db2.gz FSNOHVDFUJUMEP-UHFFFAOYSA-N 0 0 337.379 3.580 50 30 EHEARN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](C)S2)cc1 ZINC000097967900 219065818 /nfs/dbraw/zinc/06/58/18/219065818.db2.gz ZRHYXKCBTZHXRL-NFECSFHCSA-N 0 0 347.484 3.977 50 30 EHEARN Cc1ccc(-c2cc3nc(N)c(C#N)c(-c4ccccc4)n3n2)cc1 ZINC000049597409 214021208 /nfs/dbraw/zinc/02/12/08/214021208.db2.gz OXBNQTRMIDXNLM-UHFFFAOYSA-N 0 0 325.375 3.826 50 30 EHEARN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)cs2)cc1 ZINC000004578280 210225450 /nfs/dbraw/zinc/22/54/50/210225450.db2.gz GKRVZIXWTMKDBY-AWNIVKPZSA-N 0 0 326.175 3.865 50 30 EHEARN CCCCCCCC[NH2+][C@@H]1CC(=O)N(c2cccc(OCC)c2)C1=O ZINC000100095864 219091013 /nfs/dbraw/zinc/09/10/13/219091013.db2.gz IEFFPLJIXORIJS-GOSISDBHSA-N 0 0 346.471 3.667 50 30 EHEARN C=CCNC(=S)N1CCc2c3ccccc3[nH]c2[C@H]1C(F)(F)F ZINC000004390532 210186515 /nfs/dbraw/zinc/18/65/15/210186515.db2.gz KLSCAUDVTRLYQS-AWEZNQCLSA-N 0 0 339.386 3.690 50 30 EHEARN C=CC[C@]1(C#N)C(=S)NC(C)=C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000101084859 219116277 /nfs/dbraw/zinc/11/62/77/219116277.db2.gz SBPOWAVDBDEKSZ-QFBILLFUSA-N 0 0 340.448 3.624 50 30 EHEARN C=CCOc1ccc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1 ZINC000101301611 219121292 /nfs/dbraw/zinc/12/12/92/219121292.db2.gz OCGBZYYWABSQBH-INIZCTEOSA-N 0 0 338.367 3.870 50 30 EHEARN COC(=O)c1sccc1N=NCc1ccc(C(F)(F)F)cc1 ZINC000004324066 210169880 /nfs/dbraw/zinc/16/98/80/210169880.db2.gz PNDLYWANTHXQPB-QGMBQPNBSA-N 0 0 328.315 4.000 50 30 EHEARN Oc1ccc2ccccc2c1/C=N/NC(=S)NC1CCCCC1 ZINC000004209319 210145056 /nfs/dbraw/zinc/14/50/56/210145056.db2.gz RHMNUWORIUBDJB-XDHOZWIPSA-N 0 0 327.453 3.676 50 30 EHEARN Clc1ccccc1Cn1cc(/C=N/n2cnnc2)c2ccccc21 ZINC000004083308 210114295 /nfs/dbraw/zinc/11/42/95/210114295.db2.gz CUAMOBLTMWJYBL-LSFURLLWSA-N 0 0 335.798 3.817 50 30 EHEARN CC(=O)c1sc(N=NCc2c(O)ccc3ccccc32)nc1C ZINC000003960930 210095974 /nfs/dbraw/zinc/09/59/74/210095974.db2.gz AJXHZVSBQZQVJG-GIJQJNRQSA-N 0 0 325.393 3.959 50 30 EHEARN Cc1ccc(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cn1 ZINC000066392824 215038313 /nfs/dbraw/zinc/03/83/13/215038313.db2.gz XJSWSTOTCMSTGM-CQSZACIVSA-N 0 0 334.206 3.620 50 30 EHEARN C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Cl)cc1 ZINC000003540626 210049651 /nfs/dbraw/zinc/04/96/51/210049651.db2.gz KYUVIKJUSNJHEF-CYBMUJFWSA-N 0 0 327.815 3.671 50 30 EHEARN C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1ccccc1C#N ZINC000003382785 210023496 /nfs/dbraw/zinc/02/34/96/210023496.db2.gz GZCGQVCIIGSEDS-JTQLQIEISA-N 0 0 346.745 3.535 50 30 EHEARN CO/N=C1/c2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000003063861 209959070 /nfs/dbraw/zinc/95/90/70/209959070.db2.gz XOQNAPOUBRYYSN-QNGOZBTKSA-N 0 0 334.297 3.603 50 30 EHEARN CN(Cc1ccccc1)c1ncccc1CNc1ncccc1C#N ZINC000067804112 215216585 /nfs/dbraw/zinc/21/65/85/215216585.db2.gz KPLCTQFWWVZRLG-UHFFFAOYSA-N 0 0 329.407 3.597 50 30 EHEARN Cc1ccccc1Oc1ncccc1CNC(=O)c1ccccc1C#N ZINC000067854877 215231313 /nfs/dbraw/zinc/23/13/13/215231313.db2.gz DXURAJMIGWICJJ-UHFFFAOYSA-N 0 0 343.386 3.984 50 30 EHEARN C=CCCCCC(=O)Nc1ccc(I)cc1 ZINC000002847281 209926468 /nfs/dbraw/zinc/92/64/68/209926468.db2.gz NXDUICNURMYIGL-UHFFFAOYSA-N 0 0 329.181 3.976 50 30 EHEARN C=CCSc1ncnc2c3cc4c(nc3oc21)CC(C)(C)OC4 ZINC000002357493 209844595 /nfs/dbraw/zinc/84/45/95/209844595.db2.gz PYQJZQREMNOCFR-UHFFFAOYSA-N 0 0 327.409 3.900 50 30 EHEARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000040106912 213266427 /nfs/dbraw/zinc/26/64/27/213266427.db2.gz XNHADKUQXIDFPP-YRNVUSSQSA-N 0 0 345.402 3.867 50 30 EHEARN COCc1cc(C)nc(SCc2ccc([N+](=O)[O-])cc2)c1C#N ZINC000037868502 213171611 /nfs/dbraw/zinc/17/16/11/213171611.db2.gz UWXPBPAFACANGD-UHFFFAOYSA-N 0 0 329.381 3.609 50 30 EHEARN C=CCNC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000035562330 213038378 /nfs/dbraw/zinc/03/83/78/213038378.db2.gz OGMMYTJLYIAHIP-UHFFFAOYSA-N 0 0 333.391 3.644 50 30 EHEARN CCc1ccc(CN(C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000072268468 216088235 /nfs/dbraw/zinc/08/82/35/216088235.db2.gz RYKMPBXNNDAVLP-UHFFFAOYSA-N 0 0 341.480 3.870 50 30 EHEARN CC(=O)N(Cc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000000280781 209515694 /nfs/dbraw/zinc/51/56/94/209515694.db2.gz YHBWQTKZGNPDPR-UHFFFAOYSA-N 0 0 339.778 3.565 50 30 EHEARN Cc1ccc(C#N)c(-c2cc(NCc3cccnc3)nc3[nH]ccc32)n1 ZINC000072422155 216210549 /nfs/dbraw/zinc/21/05/49/216210549.db2.gz XSMAUJGYYSORTE-UHFFFAOYSA-N 0 0 340.390 3.812 50 30 EHEARN O=S(=O)(CCc1ccccc1)/N=C/c1ccc(Cl)cc1Cl ZINC000000066256 209397494 /nfs/dbraw/zinc/39/74/94/209397494.db2.gz CHPVKNBTCSMZSU-WOJGMQOQSA-N 0 0 342.247 3.985 50 30 EHEARN O=C1CCCC2=Nc3nc(-c4ccccc4)nn3[C@@H](c3ccccc3)C12 ZINC000000065668 209396973 /nfs/dbraw/zinc/39/69/73/209396973.db2.gz GFGCVVUOYGVGKO-IBGZPJMESA-N 0 0 342.402 3.967 50 30 EHEARN COc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1OC ZINC000023053362 212344205 /nfs/dbraw/zinc/34/42/05/212344205.db2.gz AQTLKLLXNCDFRZ-UKTHLTGXSA-N 0 0 328.339 3.892 50 30 EHEARN Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)o1 ZINC000193196855 240056932 /nfs/dbraw/zinc/05/69/32/240056932.db2.gz ZEUFQMMNJCZZGL-UHFFFAOYSA-N 0 0 349.394 3.597 50 30 EHEARN N#Cc1ccc(C(=O)NCc2ccc([C@H](O)c3ccccc3)s2)cc1 ZINC000207969126 241063460 /nfs/dbraw/zinc/06/34/60/241063460.db2.gz XAUARORNYIISSU-LJQANCHMSA-N 0 0 348.427 3.631 50 30 EHEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000020519554 212142253 /nfs/dbraw/zinc/14/22/53/212142253.db2.gz YHUWNADWUSZXNP-SXGWCWSVSA-N 0 0 329.783 3.723 50 30 EHEARN CC(=O)[C@@H]1C[C@H](C)[C@@H]2[C@@H]3C[C@@H]4O[C@@]45CC[C@H](O)C[C@]5(C)[C@@H]3CC[C@]12C ZINC000253502316 244006334 /nfs/dbraw/zinc/00/63/34/244006334.db2.gz BUDKLYQSLDHSFY-QKHNVQLISA-N 0 0 346.511 3.973 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000077422429 216900688 /nfs/dbraw/zinc/90/06/88/216900688.db2.gz YTTRPEJMDPWIHK-UHFFFAOYSA-N 0 0 340.810 3.895 50 30 EHEARN Fc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019594628 212049916 /nfs/dbraw/zinc/04/99/16/212049916.db2.gz KCOPYUDJMVHAEX-FYJGNVAPSA-N 0 0 331.822 3.631 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000019301112 212013957 /nfs/dbraw/zinc/01/39/57/212013957.db2.gz ARAVPLZBYJJCJG-QGZVFWFLSA-N 0 0 345.464 3.915 50 30 EHEARN COc1cc(C#N)ccc1OCc1nc(-c2cccc(Cl)c2)no1 ZINC000016685753 211929421 /nfs/dbraw/zinc/92/94/21/211929421.db2.gz HVURWNIJHZFEQG-UHFFFAOYSA-N 0 0 341.754 3.849 50 30 EHEARN C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000087049166 217709700 /nfs/dbraw/zinc/70/97/00/217709700.db2.gz SEIBNMYXIUCODT-INIZCTEOSA-N 0 0 348.450 3.719 50 30 EHEARN N#Cc1ccccc1OCc1cc2c(cc1Br)OCCO2 ZINC000013005393 211509037 /nfs/dbraw/zinc/50/90/37/211509037.db2.gz GNICIIMLVVCNOI-UHFFFAOYSA-N 0 0 346.180 3.671 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1nccs1 ZINC000012378237 211360367 /nfs/dbraw/zinc/36/03/67/211360367.db2.gz XIRZYUHGRJVKMY-SSEHEHRJSA-N 0 0 327.434 3.933 50 30 EHEARN C/C(=N/OC(=O)c1ccc(C(F)(F)F)cc1)c1oc(C)nc1C ZINC000012368894 211356637 /nfs/dbraw/zinc/35/66/37/211356637.db2.gz PABUSPRRAJSSJE-UKWGHVSLSA-N 0 0 326.274 3.891 50 30 EHEARN N#Cc1c(CSc2n[nH]c(-c3ccccc3)n2)cn2ccccc12 ZINC000011747181 211243851 /nfs/dbraw/zinc/24/38/51/211243851.db2.gz SOORDSYKVOZHDY-UHFFFAOYSA-N 0 0 331.404 3.888 50 30 EHEARN CC(=O)[C@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N ZINC000011461076 211217759 /nfs/dbraw/zinc/21/77/59/211217759.db2.gz SJLSQWQOGIMVFK-ZDUSSCGKSA-N 0 0 325.389 3.844 50 30 EHEARN C=C(C)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000009698550 211116028 /nfs/dbraw/zinc/11/60/28/211116028.db2.gz YSMZGFZEYAFRKW-UHFFFAOYSA-N 0 0 342.351 3.811 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1c[nH]nc1-c1ccc(F)cc1 ZINC000009337614 211070828 /nfs/dbraw/zinc/07/08/28/211070828.db2.gz PKXJRHNCVNYHGJ-LJQANCHMSA-N 0 0 348.381 3.968 50 30 EHEARN Cc1ccccc1-c1nnc(SCC(=O)c2ccc(C#N)cc2)n1C ZINC000009328152 211069758 /nfs/dbraw/zinc/06/97/58/211069758.db2.gz BUTHLIFLYTXSRY-UHFFFAOYSA-N 0 0 348.431 3.637 50 30 EHEARN CC(C)(C)c1ccc(O)c(NC(=O)CSc2ncccc2C#N)c1 ZINC000009189705 211050874 /nfs/dbraw/zinc/05/08/74/211050874.db2.gz BIOLBDSTCKDXEN-UHFFFAOYSA-N 0 0 341.436 3.687 50 30 EHEARN C#CCSc1nnc(-c2ccc(Br)cc2)n1CC=C ZINC000009145668 211044952 /nfs/dbraw/zinc/04/49/52/211044952.db2.gz RLWGLGYCOTXUPR-UHFFFAOYSA-N 0 0 334.242 3.619 50 30 EHEARN N#Cc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 ZINC000008772651 211004060 /nfs/dbraw/zinc/00/40/60/211004060.db2.gz KNNMOQTVAISCLH-UHFFFAOYSA-N 0 0 348.324 3.567 50 30 EHEARN C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(Cl)s1 ZINC000008769790 211003216 /nfs/dbraw/zinc/00/32/16/211003216.db2.gz UPPABMJWECMBBJ-LLVKDONJSA-N 0 0 333.844 3.732 50 30 EHEARN N#Cc1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)c(Cl)c1 ZINC000007857446 210856980 /nfs/dbraw/zinc/85/69/80/210856980.db2.gz LPXJRSKGPSFBGK-QGZVFWFLSA-N 0 0 326.783 3.610 50 30 EHEARN C[C@@]1(C(=O)Nc2ccc(C#N)cc2)CC(c2ccccc2Cl)=NO1 ZINC000096192866 218661739 /nfs/dbraw/zinc/66/17/39/218661739.db2.gz OXZPLMFCFNAPLI-SFHVURJKSA-N 0 0 339.782 3.733 50 30 EHEARN N#Cc1cccc2cccc(S(=O)(=O)Nc3ccc(F)cc3)c12 ZINC000005945652 210565739 /nfs/dbraw/zinc/56/57/39/210565739.db2.gz HCJLCALLFASDDV-UHFFFAOYSA-N 0 0 326.352 3.651 50 30 EHEARN N#Cc1ccccc1Oc1ccc(NC(=O)c2cnccn2)cc1F ZINC000096433134 218809576 /nfs/dbraw/zinc/80/95/76/218809576.db2.gz RRDVZOCVFJMZCO-UHFFFAOYSA-N 0 0 334.310 3.532 50 30 EHEARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005434436 210462818 /nfs/dbraw/zinc/46/28/18/210462818.db2.gz DBPWSSGDRRHUNT-CEGNMAFCSA-N 0 0 330.468 3.838 50 30 endogenous,world EHEARN Fc1nc(F)c(F)c(N=NCc2ccc(Br)cc2)c1F ZINC000005022061 210364744 /nfs/dbraw/zinc/36/47/44/210364744.db2.gz NUYOMWQOWUQOCB-BLLMUTORSA-N 0 0 348.097 3.847 50 30 EHEARN N#Cc1cccnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000007051561 208575011 /nfs/dbraw/zinc/57/50/11/208575011.db2.gz BKCNIHWZMDXOJD-UHFFFAOYSA-N 0 0 338.219 3.991 50 30 EHEARN N#CCc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000096446395 257834180 /nfs/dbraw/zinc/83/41/80/257834180.db2.gz XTCUQVHUIJGMNG-VQTJNVASSA-N 0 0 349.434 3.873 50 30 EHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccc(C)c1 ZINC000007349915 257927323 /nfs/dbraw/zinc/92/73/23/257927323.db2.gz PRMSZINCFKLONF-VXPUYCOJSA-N 0 0 338.432 3.947 50 30 EHEARN C[C@@H]1CCC[C@H](OCc2nnc(COc3ccc(C#N)cc3)o2)C1 ZINC000521393737 257948902 /nfs/dbraw/zinc/94/89/02/257948902.db2.gz QXYDBCLCOQAIIR-CJNGLKHVSA-N 0 0 327.384 3.616 50 30 EHEARN COc1ccccc1NC(=O)c1nc(Br)sc1C ZINC000328596128 258043024 /nfs/dbraw/zinc/04/30/24/258043024.db2.gz UAHBKLOLSZDALH-UHFFFAOYSA-N 0 0 327.203 3.859 50 30 EHEARN CCn1c(C)nnc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328587195 258046412 /nfs/dbraw/zinc/04/64/12/258046412.db2.gz GBHHYNNFTNYLFS-OAHLLOKOSA-N 0 0 345.450 3.996 50 30 EHEARN COc1ccc(/C=C2\Oc3c(ccc(OCC(C)=O)c3C)C2=O)cc1 ZINC000012879359 258001899 /nfs/dbraw/zinc/00/18/99/258001899.db2.gz SQPDMROYZFAUOU-ZDLGFXPLSA-N 0 0 338.359 3.588 50 30 biogenic EHEARN CSc1ccc(/C=C2/CS(=O)(=O)c3c(F)cccc3C2=O)cc1 ZINC000096925158 258001935 /nfs/dbraw/zinc/00/19/35/258001935.db2.gz XLFQIMXZSNNDLW-XFXZXTDPSA-N 0 0 348.420 3.601 50 30 EHEARN CC(C)Oc1c(F)cc(NC(=O)N(C)CC(F)(F)F)cc1F ZINC000330033019 258002367 /nfs/dbraw/zinc/00/23/67/258002367.db2.gz VOJPYISLTOIJIV-UHFFFAOYSA-N 0 0 326.265 3.792 50 30 EHEARN C=C(C)Cn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000002721465 258046921 /nfs/dbraw/zinc/04/69/21/258046921.db2.gz XMMGNFSJRZJWIU-UHFFFAOYSA-N 0 0 333.435 3.893 50 30 EHEARN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000052843002 258015357 /nfs/dbraw/zinc/01/53/57/258015357.db2.gz CVLZPKMTWRGFOQ-UHFFFAOYSA-N 0 0 334.828 3.555 50 30 EHEARN C=CCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013007555 258016990 /nfs/dbraw/zinc/01/69/90/258016990.db2.gz PNORLJZHIVRQCF-UHFFFAOYSA-N 0 0 346.434 3.867 50 30 EHEARN O=C(O/N=C(\c1ccccc1)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000012650623 258054980 /nfs/dbraw/zinc/05/49/80/258054980.db2.gz IPVILHBYQKQCHX-DYTRJAOYSA-N 0 0 347.330 3.599 50 30 EHEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccn1 ZINC000019923582 258057265 /nfs/dbraw/zinc/05/72/65/258057265.db2.gz JTPWWFXDXIKOGW-WMLDXEAASA-N 0 0 330.428 3.582 50 30 EHEARN Clc1ccc(N2CCN(/N=C\c3c[nH]c4ccccc34)CC2)cc1 ZINC000055447729 132195134 /nfs/dbraw/zinc/19/51/34/132195134.db2.gz KIVUFUUFLVRUPO-HMAPJEAMSA-N 0 0 338.842 3.977 50 30 EHEARN C=C(C)COc1c(CN(C)[C@@H](C)c2ccncn2)cccc1OC ZINC000055196977 518609056 /nfs/dbraw/zinc/60/90/56/518609056.db2.gz GRPZSUXSGHIHMI-HNNXBMFYSA-N 0 0 327.428 3.633 50 30 EHEARN C=CCN(Cc1ccc(Cl)s1)Cc1cc(=O)n2ccccc2n1 ZINC000014016635 518780177 /nfs/dbraw/zinc/78/01/77/518780177.db2.gz ZNCXAFUUZDTQFJ-UHFFFAOYSA-N 0 0 345.855 3.598 50 30 EHEARN C=CCN(Cc1ccccc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000024499907 518783720 /nfs/dbraw/zinc/78/37/20/518783720.db2.gz UQHBAQBZAYPRFO-LJQANCHMSA-N 0 0 348.446 3.792 50 30 EHEARN C=CCNc1nnc(SCc2nc(-c3ccccc3C)no2)s1 ZINC000005783194 518968536 /nfs/dbraw/zinc/96/85/36/518968536.db2.gz YDSFXDNDHQXAGR-UHFFFAOYSA-N 0 0 345.453 3.787 50 30 EHEARN C=CCOc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1 ZINC000041156721 519027195 /nfs/dbraw/zinc/02/71/95/519027195.db2.gz CFLLZDCBJZWOCE-UHFFFAOYSA-N 0 0 325.408 3.677 50 30 EHEARN C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000003364074 519174486 /nfs/dbraw/zinc/17/44/86/519174486.db2.gz YQVCBPRCENFHKC-LBPRGKRZSA-N 0 0 340.452 3.926 50 30 EHEARN C=CCn1ncc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C ZINC000055153137 519291456 /nfs/dbraw/zinc/29/14/56/519291456.db2.gz CQBLWBAYIARHFG-HXUWFJFHSA-N 0 0 343.446 3.698 50 30 EHEARN CC(C)Cc1ccc([C@H](C)C(=O)ONC(=N)c2cccs2)cc1 ZINC000004390616 519448540 /nfs/dbraw/zinc/44/85/40/519448540.db2.gz DNPTZXITGSYIHW-ZDUSSCGKSA-N 0 0 330.453 3.914 50 30 EHEARN CCCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000015779206 519886917 /nfs/dbraw/zinc/88/69/17/519886917.db2.gz VTEOESQGMPJHGP-VHEBQXMUSA-N 0 0 330.453 3.868 50 30 EHEARN CCOc1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1 ZINC000011334601 520848433 /nfs/dbraw/zinc/84/84/33/520848433.db2.gz GYRXPINUWAJOOZ-DHZHZOJOSA-N 0 0 337.419 3.818 50 30 EHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccccc2OC)c1C ZINC000033530645 521357909 /nfs/dbraw/zinc/35/79/09/521357909.db2.gz ZJSLXRXMAIQBRO-KHPPLWFESA-N 0 0 327.380 3.713 50 30 EHEARN COc1cc(SC)ccc1C(=O)N(CCC#N)c1ccccc1 ZINC000008343794 522897505 /nfs/dbraw/zinc/89/75/05/522897505.db2.gz RHQQCHSJLHLNIN-UHFFFAOYSA-N 0 0 326.421 3.978 50 30 EHEARN CCn1cc(/C=N/c2sccc2C(=O)NCc2ccco2)c(C)n1 ZINC000006490226 523309583 /nfs/dbraw/zinc/30/95/83/523309583.db2.gz PFWJASIKZJRCMJ-DJKKODMXSA-N 0 0 342.424 3.547 50 30 EHEARN COc1ccc(CN=Nc2cc(C)nc(NCc3ccccc3)n2)cc1 ZINC000004857458 523444714 /nfs/dbraw/zinc/44/47/14/523444714.db2.gz LYJFTOOAMHSMSB-HYARGMPZSA-N 0 0 347.422 3.852 50 30 EHEARN COc1ccc(CN=Nc2nc(-c3cccc(O)c3)cs2)cc1 ZINC000004475474 523447185 /nfs/dbraw/zinc/44/71/85/523447185.db2.gz OAJQLXVRZJPMJD-VCHYOVAHSA-N 0 0 325.393 3.970 50 30 EHEARN COc1ccccc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O ZINC000013777982 524322144 /nfs/dbraw/zinc/32/21/44/524322144.db2.gz DOOHJHXGAUWWGL-ZDLGFXPLSA-N 0 0 336.343 3.627 50 30 EHEARN COc1ccccc1OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000003315800 524654509 /nfs/dbraw/zinc/65/45/09/524654509.db2.gz YXHXZKWFJIVGEC-DEDYPNTBSA-N 0 0 337.419 3.955 50 30 EHEARN Cc1ccc(OCC(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041556268 525397976 /nfs/dbraw/zinc/39/79/76/525397976.db2.gz FJSLCZRRIANZIX-AWEZNQCLSA-N 0 0 334.297 3.664 50 30 EHEARN Cc1ccc(SCCOc2ccccc2/C=N/n2cnnc2)cc1 ZINC000004508500 525659900 /nfs/dbraw/zinc/65/99/00/525659900.db2.gz GYUJGBWBWAHLIZ-CIAFOILYSA-N 0 0 338.436 3.640 50 30 EHEARN O=S(=O)(N=C(NC1CCCCC1)c1ccccc1)c1cccs1 ZINC000004991340 527158314 /nfs/dbraw/zinc/15/83/14/527158314.db2.gz DXUPKSUONBRBEO-UHFFFAOYSA-N 0 0 348.493 3.806 50 30 EHEARN C=CCn1c(S[C@@H](C)c2cccc(C#N)c2)nnc1-c1cnccn1 ZINC000189859078 527346006 /nfs/dbraw/zinc/34/60/06/527346006.db2.gz OSTMQECAXMMEID-ZDUSSCGKSA-N 0 0 348.435 3.646 50 30 EHEARN Cc1c([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C ZINC000000092045 563222781 /nfs/dbraw/zinc/22/27/81/563222781.db2.gz FFAHNLQVYCMJRE-IBGZPJMESA-N 0 0 336.439 3.950 50 30 EHEARN N#CC(=NNc1ccccc1)C(=O)c1ccccc1OC(F)(F)F ZINC000000148967 563245383 /nfs/dbraw/zinc/24/53/83/563245383.db2.gz FZEHEKCRHULDBS-LPYMAVHISA-N 0 0 333.269 3.760 50 30 EHEARN CC(C)c1noc2ncc(-c3nnc(-c4ccc(C#N)cc4)o3)cc21 ZINC000071890735 563424476 /nfs/dbraw/zinc/42/44/76/563424476.db2.gz PRQRPAKEQRWXAK-UHFFFAOYSA-N 0 0 331.335 3.935 50 30 EHEARN Cc1cc(S(=O)(=O)Oc2ccc(CC#N)cc2)c(C)cc1Cl ZINC000002163133 563424800 /nfs/dbraw/zinc/42/48/00/563424800.db2.gz ARFZEIHFWXVBDI-UHFFFAOYSA-N 0 0 335.812 3.791 50 30 EHEARN COc1ccccc1/C=C1/S/C(=N/c2ccc(F)cc2)NC1=O ZINC000002412486 563431975 /nfs/dbraw/zinc/43/19/75/563431975.db2.gz VYGSYWFOLFYMPM-XNTDXEJSSA-N 0 0 328.368 3.726 50 30 EHEARN CCN(CC)c1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1 ZINC000002506388 563434864 /nfs/dbraw/zinc/43/48/64/563434864.db2.gz ISEQJGQKJVZIGP-DEDYPNTBSA-N 0 0 344.459 3.992 50 30 EHEARN N#Cc1cnc2c(F)cc(F)cc2c1NCCc1nccn1C(F)F ZINC000071900388 563499360 /nfs/dbraw/zinc/49/93/60/563499360.db2.gz LNEHARSFRBAZFL-UHFFFAOYSA-N 0 0 349.291 3.631 50 30 EHEARN CC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000005495551 563535002 /nfs/dbraw/zinc/53/50/02/563535002.db2.gz VWRKGGJKUMQVNY-DJKKODMXSA-N 0 0 349.293 3.905 50 30 EHEARN Cc1nc(NC(N)=S)sc1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000005678636 563545092 /nfs/dbraw/zinc/54/50/92/563545092.db2.gz TWULKTPJXSSSPJ-QPJJXVBHSA-N 0 0 337.857 3.657 50 30 EHEARN CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000006022649 563557701 /nfs/dbraw/zinc/55/77/01/563557701.db2.gz IULCYQSQUWJEEG-KRWDZBQOSA-N 0 0 341.794 3.825 50 30 EHEARN C=CC[C@@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccncc1 ZINC000071908432 563568850 /nfs/dbraw/zinc/56/88/50/563568850.db2.gz FNMMBRNZQPMWEW-QGZVFWFLSA-N 0 0 340.423 3.925 50 30 EHEARN Oc1ccc2ccccc2c1/C=N\N1CCN(c2ccccc2)CC1 ZINC000013371168 563697079 /nfs/dbraw/zinc/69/70/79/563697079.db2.gz GPKINHUCLKYOFX-JWGURIENSA-N 0 0 331.419 3.702 50 30 EHEARN CCCCn1c(C)c(C)nc1SCC(=O)Nc1sccc1C#N ZINC000032895005 563780726 /nfs/dbraw/zinc/78/07/26/563780726.db2.gz NNQPZHMLPLTLBV-UHFFFAOYSA-N 0 0 348.497 3.964 50 30 EHEARN CC(/C=N/NS(=O)(=O)c1ccc(Cl)cc1)=C\c1ccccc1 ZINC000017070559 563832726 /nfs/dbraw/zinc/83/27/26/563832726.db2.gz LQCHKKSCHWQNOB-GTSFMQCKSA-N 0 0 334.828 3.708 50 30 EHEARN CN(C)c1ccc(C=[NH+][N-]c2nnc(Cl)c3ccccc32)cc1 ZINC000017145599 563838435 /nfs/dbraw/zinc/83/84/35/563838435.db2.gz UGFCDJZPRCQLNE-YBFXNURJSA-N 0 0 325.803 3.795 50 30 EHEARN CCc1csc([C@H]2CCCN(C(=O)c3cccc(CC#N)c3)C2)n1 ZINC000072282131 563904668 /nfs/dbraw/zinc/90/46/68/563904668.db2.gz WFLSXYHENDYNAC-INIZCTEOSA-N 0 0 339.464 3.791 50 30 EHEARN N#Cc1cccc(/C=C/C(=O)OCc2csc(-c3ccccn3)n2)c1 ZINC000046330572 563931980 /nfs/dbraw/zinc/93/19/80/563931980.db2.gz UTGHVSIQFLEOKW-BQYQJAHWSA-N 0 0 347.399 3.833 50 30 EHEARN COCCOc1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 ZINC000058168378 563938898 /nfs/dbraw/zinc/93/88/98/563938898.db2.gz HIPBHLQJZLIQCR-SFHVURJKSA-N 0 0 346.386 3.750 50 30 EHEARN CCn1cc(C(=O)/C=C/c2ccccc2OCc2cccnc2)cn1 ZINC000058229024 563940470 /nfs/dbraw/zinc/94/04/70/563940470.db2.gz ITWYRPSEZHEUTH-MDZDMXLPSA-N 0 0 333.391 3.773 50 30 EHEARN C[C@H](CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000058267075 563941245 /nfs/dbraw/zinc/94/12/45/563941245.db2.gz MSZGCAHNEVJMDJ-CZUORRHYSA-N 0 0 340.402 3.514 50 30 EHEARN O=C1c2cc(Br)ccc2SC/C1=C/c1csnn1 ZINC000058277734 563941366 /nfs/dbraw/zinc/94/13/66/563941366.db2.gz ASMHUKQMUCTURL-CLTKARDFSA-N 0 0 339.239 3.673 50 30 EHEARN Cc1cc(NC(=O)Cc2coc3c2ccc(C)c3C)n(CCC#N)n1 ZINC000058304687 563942122 /nfs/dbraw/zinc/94/21/22/563942122.db2.gz IKZKMMDAFOMIHC-UHFFFAOYSA-N 0 0 336.395 3.649 50 30 EHEARN Cn1c2ccccc2c(C#N)c1CS(=O)(=O)c1ccc(Cl)cc1 ZINC000000033769 563967796 /nfs/dbraw/zinc/96/77/96/563967796.db2.gz NTRAJWMXRMDBEJ-UHFFFAOYSA-N 0 0 344.823 3.677 50 30 EHEARN Cc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c(C)c1C ZINC000000078625 563974547 /nfs/dbraw/zinc/97/45/47/563974547.db2.gz PGZSCJOGYPJBEY-UHFFFAOYSA-N 0 0 341.392 3.762 50 30 EHEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1c[nH]c(CC2CCCC2)n1 ZINC000071712127 563977806 /nfs/dbraw/zinc/97/78/06/563977806.db2.gz KXFALHGAAOSAOW-UHFFFAOYSA-N 0 0 332.411 3.653 50 30 EHEARN CCc1ccc(S(=O)(=O)/C(C#N)=N/Nc2ccc(Cl)cc2)cc1 ZINC000096511625 563980818 /nfs/dbraw/zinc/98/08/18/563980818.db2.gz BUKFEVUEEZTHNK-CAPFRKAQSA-N 0 0 347.827 3.625 50 30 EHEARN COc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)c(OC)c1OC ZINC000071721309 563981117 /nfs/dbraw/zinc/98/11/17/563981117.db2.gz HOKGFFLUPPUSBW-UHFFFAOYSA-N 0 0 341.411 3.526 50 30 EHEARN COc1cccc([C@@H]2CC(=O)C=C(NCc3ccccc3OC)C2)c1 ZINC000100150861 563984085 /nfs/dbraw/zinc/98/40/85/563984085.db2.gz KBKAEXXZKUMYEY-KRWDZBQOSA-N 0 0 337.419 3.824 50 30 EHEARN CCOc1cc(C#N)c(NC(=O)c2ccc(OC)cc2)cc1OCC ZINC000000104028 563986398 /nfs/dbraw/zinc/98/63/98/563986398.db2.gz XXUFYDZLNNHWPW-UHFFFAOYSA-N 0 0 340.379 3.617 50 30 EHEARN CCN(C(C)=O)c1nc(CSc2nc(C)cc(C)c2C#N)cs1 ZINC000023950029 563991006 /nfs/dbraw/zinc/99/10/06/563991006.db2.gz RHZIZTZMWAQFHX-UHFFFAOYSA-N 0 0 346.481 3.692 50 30 EHEARN Fc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000239159690 563995755 /nfs/dbraw/zinc/99/57/55/563995755.db2.gz MPRBLRBYWZJMMQ-UHFFFAOYSA-N 0 0 332.791 3.909 50 30 EHEARN COc1ccc(NC(=O)[C@H](C#N)Cc2c[nH]c3ccc(OC)cc23)cc1 ZINC000061718565 564000405 /nfs/dbraw/zinc/00/04/05/564000405.db2.gz QCJHNABHHBJIGC-ZDUSSCGKSA-N 0 0 349.390 3.506 50 30 EHEARN C=CCc1ccc(Oc2nc3ccccc3n3cnnc23)c(OC)c1 ZINC000005427029 564003852 /nfs/dbraw/zinc/00/38/52/564003852.db2.gz ULSFVSLJNWPIIC-UHFFFAOYSA-N 0 0 332.363 3.807 50 30 EHEARN CCc1cccc2c(C(=O)COc3ccc(C#N)cc3OC)c[nH]c21 ZINC000005629725 564006739 /nfs/dbraw/zinc/00/67/39/564006739.db2.gz TUTKZSSWQAXGCP-UHFFFAOYSA-N 0 0 334.375 3.872 50 30 EHEARN COc1cc(C#N)ccc1OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005629638 564006749 /nfs/dbraw/zinc/00/67/49/564006749.db2.gz UCEGRSFTLLNMFP-UHFFFAOYSA-N 0 0 325.408 3.731 50 30 EHEARN Cc1c(/N=C/c2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C ZINC000017888128 564013212 /nfs/dbraw/zinc/01/32/12/564013212.db2.gz OWOCVNPGMVWPJP-RGVLZGJSSA-N 0 0 341.798 3.594 50 30 EHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccc(F)c1 ZINC000100909561 564017043 /nfs/dbraw/zinc/01/70/43/564017043.db2.gz WOMTUQVYTVNZQU-ZZEZOPTASA-N 0 0 342.395 3.778 50 30 EHEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O ZINC000000486233 564017139 /nfs/dbraw/zinc/01/71/39/564017139.db2.gz MWZYGQXXNLZDQQ-DHDCSXOGSA-N 0 0 349.298 3.626 50 30 EHEARN COc1ccc([C@@H]2C3=C(NC(C)=C2C(C)=O)c2ccccc2C3=O)cc1 ZINC000018057978 564017828 /nfs/dbraw/zinc/01/78/28/564017828.db2.gz JGGSPGXPOMKOFH-IBGZPJMESA-N 0 0 345.398 3.853 50 30 EHEARN Cc1ccc2c(c1Br)/C(=N/c1ccc(C#N)cc1)C(=O)N2 ZINC000018155875 564018497 /nfs/dbraw/zinc/01/84/97/564018497.db2.gz NHGBYZFFGZKPEY-UHFFFAOYSA-N 0 0 340.180 3.702 50 30 EHEARN CC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(C)cc1 ZINC000000501884 564019064 /nfs/dbraw/zinc/01/90/64/564019064.db2.gz VZMWMTUIUPPFNQ-UHFFFAOYSA-N 0 0 341.374 3.712 50 30 EHEARN CC(C)[C@H]1CC[C@H](C)/C(=C\N2CCN(c3ccccc3)CC2)C1=O ZINC000101800645 564019573 /nfs/dbraw/zinc/01/95/73/564019573.db2.gz ZSRVXWVHYKWMNR-GPURQQSASA-N 0 0 326.484 3.964 50 30 EHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O ZINC000000540398 564022450 /nfs/dbraw/zinc/02/24/50/564022450.db2.gz MNXAUGQMVDWMMZ-PDICVPPASA-N 0 0 344.388 3.613 50 30 EHEARN CCc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2C)cc1C ZINC000103503631 564022551 /nfs/dbraw/zinc/02/25/51/564022551.db2.gz KKMJNUVPZXZGLD-ZDUSSCGKSA-N 0 0 326.421 3.889 50 30 EHEARN N#Cc1c(Cl)nsc1NCc1cccc(Cn2ccnc2)c1 ZINC000044975396 564027936 /nfs/dbraw/zinc/02/79/36/564027936.db2.gz XSCCDHCKLRRQIA-UHFFFAOYSA-N 0 0 329.816 3.525 50 30 EHEARN N#CCOc1cccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)c1 ZINC000048308953 564030742 /nfs/dbraw/zinc/03/07/42/564030742.db2.gz WJLANFSKFGUAEM-MHWRWJLKSA-N 0 0 338.750 3.587 50 30 EHEARN COc1ccc(COc2ccc(C#N)cc2)c(Br)c1OC ZINC000048367807 564031624 /nfs/dbraw/zinc/03/16/24/564031624.db2.gz JENJRAHIBFUUTI-UHFFFAOYSA-N 0 0 348.196 3.917 50 30 EHEARN CCCCCCCCc1nnc(NC(=O)C2CCOCC2)s1 ZINC000048557706 564031975 /nfs/dbraw/zinc/03/19/75/564031975.db2.gz PSSNTEOJAMRTTL-UHFFFAOYSA-N 0 0 325.478 3.806 50 30 EHEARN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1nc2ccccc2[nH]1 ZINC000685943436 564051399 /nfs/dbraw/zinc/05/13/99/564051399.db2.gz OTXCAJKJAGGFNN-HNNXBMFYSA-N 0 0 345.450 3.754 50 30 EHEARN CCc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccncc2)cc1 ZINC000005939076 564057128 /nfs/dbraw/zinc/05/71/28/564057128.db2.gz VZFWKGOOGUETDE-ZDUSSCGKSA-N 0 0 335.436 3.896 50 30 EHEARN O=C(c1c[nH]nc1-c1ccccc1)N(CC#Cc1ccccc1)C1CC1 ZINC000071759418 564063748 /nfs/dbraw/zinc/06/37/48/564063748.db2.gz GMIIFMPZKWKGST-UHFFFAOYSA-N 0 0 341.414 3.733 50 30 EHEARN COc1cccc([C@H](C)CC(=O)N[C@@H](C#N)c2ccccc2OC)c1 ZINC000084598784 564068969 /nfs/dbraw/zinc/06/89/69/564068969.db2.gz AYTDYZSYXWJQJN-KDOFPFPSSA-N 0 0 338.407 3.578 50 30 EHEARN N#Cc1c(CSc2nnc(C3CC3)n2C2CC2)cn2ccccc12 ZINC000084606671 564069046 /nfs/dbraw/zinc/06/90/46/564069046.db2.gz ICSDMWKUOZFFLE-UHFFFAOYSA-N 0 0 335.436 3.907 50 30 EHEARN C=CCn1c([C@@H](NC(=O)c2ccc(C)cc2)C(C)C)n[nH]c1=S ZINC000006556700 564070781 /nfs/dbraw/zinc/07/07/81/564070781.db2.gz FNTGOZDOXJPMIT-AWEZNQCLSA-N 0 0 330.457 3.562 50 30 EHEARN CC(C)(C)OCc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)no1 ZINC000185327346 564073382 /nfs/dbraw/zinc/07/33/82/564073382.db2.gz ZYZSAFUMTNQWQL-UHFFFAOYSA-N 0 0 344.415 3.670 50 30 EHEARN C=CCNc1nnc(SCc2ccc(-n3cccn3)cc2)s1 ZINC000013984543 564074056 /nfs/dbraw/zinc/07/40/56/564074056.db2.gz LFDQSGBHFDTLLO-UHFFFAOYSA-N 0 0 329.454 3.614 50 30 EHEARN C[C@H](Sc1ncnc2sccc21)C(=O)Nc1cccc(C#N)c1 ZINC000006115437 564074410 /nfs/dbraw/zinc/07/44/10/564074410.db2.gz AKSQKVSRCGFMEP-JTQLQIEISA-N 0 0 340.433 3.682 50 30 EHEARN O=S(=O)(N/N=C(/c1ccccc1)C1CCCCC1)c1ccccc1 ZINC000043763498 564076244 /nfs/dbraw/zinc/07/62/44/564076244.db2.gz GWOHHMFBMWCWMR-VXPUYCOJSA-N 0 0 342.464 3.950 50 30 EHEARN C=CCn1c2ccc(NC(=O)Cc3ccc(C)cc3)cc2sc1=O ZINC000015865102 564077183 /nfs/dbraw/zinc/07/71/83/564077183.db2.gz ZCZZYUHWJPGTMY-UHFFFAOYSA-N 0 0 338.432 3.739 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccco1 ZINC000006206569 564082916 /nfs/dbraw/zinc/08/29/16/564082916.db2.gz PUNHRUPYGDAELG-APWZRJJASA-N 0 0 340.375 3.608 50 30 EHEARN O=C(NC1CCCCC1)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 ZINC000016524136 564089673 /nfs/dbraw/zinc/08/96/73/564089673.db2.gz RCDFGKUACIIJBL-UHFFFAOYSA-N 0 0 347.418 3.822 50 30 EHEARN C[C@H](c1nnc(COc2ccc(C#N)cc2)o1)N(C)Cc1ccccc1 ZINC000521393735 564090830 /nfs/dbraw/zinc/09/08/30/564090830.db2.gz OOUULGPWNQATFJ-OAHLLOKOSA-N 0 0 348.406 3.713 50 30 EHEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc[nH]2)n1 ZINC000006587139 564092247 /nfs/dbraw/zinc/09/22/47/564092247.db2.gz FCJGCAMQGRHWRG-UHFFFAOYSA-N 0 0 325.315 3.584 50 30 EHEARN CSc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006600230 564092634 /nfs/dbraw/zinc/09/26/34/564092634.db2.gz ZVJVWYSCYPTXQE-CQSZACIVSA-N 0 0 339.464 3.739 50 30 EHEARN N#Cc1ccc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000267479528 564095619 /nfs/dbraw/zinc/09/56/19/564095619.db2.gz BRCQJLHRFQMYNC-CZUORRHYSA-N 0 0 343.408 3.620 50 30 EHEARN COc1ccccc1-n1c(N)c(C#N)c2c(c1=S)COC(C)(C)C2 ZINC000006670426 564095771 /nfs/dbraw/zinc/09/57/71/564095771.db2.gz WODSEBYNPNIASA-UHFFFAOYSA-N 0 0 341.436 3.521 50 30 EHEARN C=CCN1CCN(C(=O)Nc2cccc(SC)c2)c2cccnc21 ZINC000064929567 564097883 /nfs/dbraw/zinc/09/78/83/564097883.db2.gz WAONUPQDHGUOHQ-UHFFFAOYSA-N 0 0 340.452 3.848 50 30 EHEARN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1cccc(Cl)c1 ZINC000007267354 564106124 /nfs/dbraw/zinc/10/61/24/564106124.db2.gz SYPQHHCKPDBIFK-ZDUSSCGKSA-N 0 0 327.815 3.671 50 30 EHEARN N#Cc1ccc(COC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000007542006 564110213 /nfs/dbraw/zinc/11/02/13/564110213.db2.gz ZCDGXOPMDVXYMB-OAHLLOKOSA-N 0 0 327.767 3.506 50 30 EHEARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1sccc1C#N ZINC000089840128 564114154 /nfs/dbraw/zinc/11/41/54/564114154.db2.gz MLIVELYNIIKNMF-MRXNPFEDSA-N 0 0 346.427 3.591 50 30 EHEARN N#CCCN(C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000076019217 564114526 /nfs/dbraw/zinc/11/45/26/564114526.db2.gz QCJDRLPYSMFPSD-UHFFFAOYSA-N 0 0 348.406 3.849 50 30 EHEARN N#C[C@H]1CCC[C@H](Nc2cccc(C(=O)NCc3ccccn3)c2)C1 ZINC000193100891 564118396 /nfs/dbraw/zinc/11/83/96/564118396.db2.gz NSCYIDXAYITMMF-RDJZCZTQSA-N 0 0 334.423 3.506 50 30 EHEARN N#Cc1ccc(SC[C@@H]2CCN(C(=O)c3ccccc3)C2)c(F)c1 ZINC000252495789 564119692 /nfs/dbraw/zinc/11/96/92/564119692.db2.gz PAEILNXLGWPTAA-OAHLLOKOSA-N 0 0 340.423 3.952 50 30 EHEARN COc1ccc2c(c1[N+](=O)[O-])CCCC2=NOC(=O)c1cccs1 ZINC000252589372 564120860 /nfs/dbraw/zinc/12/08/60/564120860.db2.gz AJUOBNBWJCQXKS-UHFFFAOYSA-N 0 0 346.364 3.562 50 30 EHEARN CC(=NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000252599905 564121193 /nfs/dbraw/zinc/12/11/93/564121193.db2.gz DMMYLVOVZLJONB-UHFFFAOYSA-N 0 0 326.312 3.736 50 30 EHEARN C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccoc1Br ZINC000194661075 564121825 /nfs/dbraw/zinc/12/18/25/564121825.db2.gz ZVQIAIFSUWWNBA-MRXNPFEDSA-N 0 0 347.212 3.687 50 30 EHEARN C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000007706010 564122116 /nfs/dbraw/zinc/12/21/16/564122116.db2.gz KWFNJIAFRQYWLI-HNNXBMFYSA-N 0 0 334.419 3.693 50 30 EHEARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1N=CN(C)C ZINC000252624441 564123157 /nfs/dbraw/zinc/12/31/57/564123157.db2.gz PNZDGYGQGGIIRP-UHFFFAOYSA-N 0 0 332.425 3.822 50 30 EHEARN CCOP(=O)(OCC)/C(C#N)=N/OC(=O)c1cccc(Cl)c1 ZINC000002266412 564125391 /nfs/dbraw/zinc/12/53/91/564125391.db2.gz MTBLPFYVSIBXGW-FOWTUZBSSA-N 0 0 344.691 3.600 50 30 EHEARN C#C[C@@H](NC(=O)Nc1cc(Br)c(F)cc1C)C(C)C ZINC000253425844 564131138 /nfs/dbraw/zinc/13/11/38/564131138.db2.gz WEMRCVZIXVIVIL-GFCCVEGCSA-N 0 0 327.197 3.676 50 30 EHEARN Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000253430208 564131368 /nfs/dbraw/zinc/13/13/68/564131368.db2.gz XFWXMIXVEKNLBH-NSHDSACASA-N 0 0 342.468 3.709 50 30 EHEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000253500215 564132810 /nfs/dbraw/zinc/13/28/10/564132810.db2.gz ZQSQEUPUOWBSRX-SJMCFAQSSA-N 0 0 348.527 3.766 50 30 biogenic EHEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C)o2)c(C#N)c1C ZINC000000253680 564133074 /nfs/dbraw/zinc/13/30/74/564133074.db2.gz WLLVVCGDEOXUOD-UHFFFAOYSA-N 0 0 345.424 3.564 50 30 EHEARN N#Cc1cc(Oc2ccccc2)c(-n2nnc3ccccc32)cc1C#N ZINC000000482359 564133305 /nfs/dbraw/zinc/13/33/05/564133305.db2.gz NOVTYSBUFCJCKB-UHFFFAOYSA-N 0 0 337.342 3.956 50 30 EHEARN O=C1/C(=C/c2ccc3c(c2)OCO3)CC/C1=C/c1ccc2c(c1)OCO2 ZINC000018062842 564133456 /nfs/dbraw/zinc/13/34/56/564133456.db2.gz LNKNETAYXQLOBY-BSHIDLADSA-N 0 0 348.354 3.974 50 30 EHEARN CCc1cccc2c(C#N)cn(CC(=O)N3CCc4ccccc4C3)c21 ZINC000000618858 564133466 /nfs/dbraw/zinc/13/34/66/564133466.db2.gz SGPVOZINVUKXJS-UHFFFAOYSA-N 0 0 343.430 3.660 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000077303172 564134205 /nfs/dbraw/zinc/13/42/05/564134205.db2.gz PSNFMGIXBKBHHU-OAHLLOKOSA-N 0 0 338.382 3.629 50 30 EHEARN C[C@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccc(Cl)s1 ZINC000082146321 564135630 /nfs/dbraw/zinc/13/56/30/564135630.db2.gz ZQHNZSFTGQXXJS-LBPRGKRZSA-N 0 0 345.855 3.510 50 30 EHEARN CCCCc1nc(NC[C@@H]2CCCO2)c(C#N)c2c1COC(C)(C)C2 ZINC000013116130 564136008 /nfs/dbraw/zinc/13/60/08/564136008.db2.gz PIOHWOBBHPMXGT-AWEZNQCLSA-N 0 0 343.471 3.738 50 30 EHEARN CCc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000013327293 564136229 /nfs/dbraw/zinc/13/62/29/564136229.db2.gz FENKWQWZSLAJIM-VIFPVBQESA-N 0 0 329.425 3.856 50 30 EHEARN CCc1nc(CNC(=O)N2CCCC[C@H]2c2nccn2CC)cs1 ZINC000328587706 564136553 /nfs/dbraw/zinc/13/65/53/564136553.db2.gz FPJIFCRAOYZCGV-AWEZNQCLSA-N 0 0 347.488 3.563 50 30 EHEARN COC(=O)c1ccc(C(C)C)c(NC(=O)c2c(C)nn(C)c2C)c1 ZINC000328589546 564136677 /nfs/dbraw/zinc/13/66/77/564136677.db2.gz YTFZZYVHTVOENR-UHFFFAOYSA-N 0 0 329.400 3.583 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCCc2ccccc21 ZINC000019676570 564137871 /nfs/dbraw/zinc/13/78/71/564137871.db2.gz DEFYIOFIBMJLIK-UHFFFAOYSA-N 0 0 331.375 3.843 50 30 EHEARN N#CCOc1cccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1 ZINC000096130175 564145785 /nfs/dbraw/zinc/14/57/85/564145785.db2.gz WJLANFSKFGUAEM-YBEGLDIGSA-N 0 0 338.750 3.587 50 30 EHEARN N#C[C@@H](NC(=O)/C=C\c1cccc2cccnc12)c1ccccc1F ZINC000096190010 564145931 /nfs/dbraw/zinc/14/59/31/564145931.db2.gz WRJZBJULZAVRKY-RXQFDZFGSA-N 0 0 331.350 3.768 50 30 EHEARN CCn1nc(C)c(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)c1C ZINC000096297223 564146586 /nfs/dbraw/zinc/14/65/86/564146586.db2.gz ULMMRQZKRPXISE-QXMHVHEDSA-N 0 0 337.423 3.543 50 30 EHEARN CCn1cc(C(=O)/C=C\c2ccccc2OCc2cccnc2)cn1 ZINC000096311153 564146714 /nfs/dbraw/zinc/14/67/14/564146714.db2.gz ITWYRPSEZHEUTH-KTKRTIGZSA-N 0 0 333.391 3.773 50 30 EHEARN N#CCc1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000096406972 564147360 /nfs/dbraw/zinc/14/73/60/564147360.db2.gz RSNMKIWMJJHHAZ-GOSISDBHSA-N 0 0 334.423 3.543 50 30 EHEARN N#Cc1ccc(CCC(=O)NCc2cccnc2-c2ccsc2)cc1 ZINC000225646124 564150132 /nfs/dbraw/zinc/15/01/32/564150132.db2.gz CJHRCJYFOLOYIJ-UHFFFAOYSA-N 0 0 347.443 3.931 50 30 EHEARN N#Cc1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1N ZINC000002624868 564151286 /nfs/dbraw/zinc/15/12/86/564151286.db2.gz KOXAMZUHVITMFO-UHFFFAOYSA-N 0 0 336.207 3.756 50 30 EHEARN O=C1c2ccc(OC[C@H]3CO3)cc2O/C1=C\c1ccccc1Cl ZINC000057312300 564153558 /nfs/dbraw/zinc/15/35/58/564153558.db2.gz YLJZMJQBLFEHEJ-OFXGXDKDSA-N 0 0 328.751 3.734 50 30 EHEARN CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000031098830 564158817 /nfs/dbraw/zinc/15/88/17/564158817.db2.gz PMTKCJZVPQWOHB-UHFFFAOYSA-N 0 0 327.359 3.630 50 30 EHEARN CSc1cccc([C@H](NC(=O)CC#N)c2ccc(F)c(F)c2)c1 ZINC000356766476 564160404 /nfs/dbraw/zinc/16/04/04/564160404.db2.gz SBOHULKWHXCVGJ-KRWDZBQOSA-N 0 0 332.375 3.806 50 30 EHEARN CN(C(=O)c1nn(-c2ccccc2)c2c1CCCCC2)C1(C#N)CCC1 ZINC000066321780 564161780 /nfs/dbraw/zinc/16/17/80/564161780.db2.gz KTXNITWXBLBXKD-UHFFFAOYSA-N 0 0 348.450 3.659 50 30 EHEARN C=C(Cl)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000008777153 564167411 /nfs/dbraw/zinc/16/74/11/564167411.db2.gz VCPIBUWMNLTWAZ-UHFFFAOYSA-N 0 0 347.798 3.525 50 30 EHEARN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000040146473 564168366 /nfs/dbraw/zinc/16/83/66/564168366.db2.gz VLJRCCQBWKFFNB-UHFFFAOYSA-N 0 0 348.446 3.676 50 30 EHEARN Cc1c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)oc2c1C(=O)CCC2 ZINC000077379567 564176681 /nfs/dbraw/zinc/17/66/81/564176681.db2.gz PWWUKRYLSRXCFW-UHFFFAOYSA-N 0 0 339.395 3.788 50 30 EHEARN N#Cc1ccc(C(F)(F)F)nc1NCc1ccnc(N2CCCC2)c1 ZINC000071908969 568414860 /nfs/dbraw/zinc/41/48/60/568414860.db2.gz GPNKZZOLJNGQKB-UHFFFAOYSA-N 0 0 347.344 3.579 50 30 EHEARN Cn1nncc1C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 ZINC000328681157 1018361143 /nfs/dbraw/zinc/36/11/43/1018361143.db2.gz UYJCPXAYJZMRRG-UHFFFAOYSA-N 0 0 326.444 3.539 50 30 EHEARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000096893577 1021209049 /nfs/dbraw/zinc/20/90/49/1021209049.db2.gz UHENYSZSMPSDHK-XGICHPGQSA-N 0 0 336.347 3.618 50 30 EHEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCc2sccc2C1 ZINC000827972703 1131412513 /nfs/dbraw/zinc/41/25/13/1131412513.db2.gz WUHIQWCEPHYJJW-UHFFFAOYSA-N 0 0 337.444 3.840 50 30 EHEARN Cc1cccc2c1OCC/C(=C/c1ccc(N3CCOCC3)cc1)C2=O ZINC000012527785 1130168292 /nfs/dbraw/zinc/16/82/92/1130168292.db2.gz OISBFOUALRDENB-SDXDJHTJSA-N 0 0 349.430 3.880 50 30 EHEARN C=CCO/N=C(\CCC)[C@@H]1C(=O)CC(C)(C)[C@@H](c2cc(C)no2)C1=O ZINC000220132600 1137022051 /nfs/dbraw/zinc/02/20/51/1137022051.db2.gz OQEPSMZDIMALMK-NSFJBHPKSA-N 0 0 346.427 3.610 50 30 EHEARN CC(=NN=c1sc2ccccc2n1C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000885842765 1138021873 /nfs/dbraw/zinc/02/18/73/1138021873.db2.gz SOADWOTVQRCJJF-UHFFFAOYSA-N 0 0 340.408 3.781 50 30 EHEARN N#Cc1ccc(C(=O)N2CCCS/C2=N/CCc2ccccc2)cc1 ZINC000105067437 1139296405 /nfs/dbraw/zinc/29/64/05/1139296405.db2.gz GMBATZJQBYTGKQ-LSDHQDQOSA-N 0 0 349.459 3.736 50 30 EHEARN N#Cc1cn(CC(=O)Nc2ccc(Cl)cc2F)c2ccccc12 ZINC000051319072 214088520 /nfs/dbraw/zinc/08/85/20/214088520.db2.gz YONCISPHOUWBOY-UHFFFAOYSA-N 0 0 327.746 3.944 50 30 EHEARN N#Cc1c(Cl)nsc1NCc1cccnc1OC1CCCC1 ZINC000052042861 214113583 /nfs/dbraw/zinc/11/35/83/214113583.db2.gz WFBRNRRHIJFLCT-UHFFFAOYSA-N 0 0 334.832 3.997 50 30 EHEARN N#Cc1c(F)cccc1Sc1nnc(-c2ccncc2)n1C1CC1 ZINC000058457310 214590864 /nfs/dbraw/zinc/59/08/64/214590864.db2.gz DFKVPJRZGKNQTC-UHFFFAOYSA-N 0 0 337.383 3.837 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccsc1 ZINC000100300434 219096036 /nfs/dbraw/zinc/09/60/36/219096036.db2.gz JWOISOBDJCDXMW-INIZCTEOSA-N 0 0 345.464 3.915 50 30 EHEARN O=C(C1CC1)N1CCC(=NN=C2c3ccccc3-c3ccccc32)CC1 ZINC000064306536 214781389 /nfs/dbraw/zinc/78/13/89/214781389.db2.gz DUDMUZFUABUXQV-UHFFFAOYSA-N 0 0 343.430 3.893 50 30 EHEARN CC(=O)[C@@H]1[C@H](c2ccsc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004451075 210193899 /nfs/dbraw/zinc/19/38/99/210193899.db2.gz NHRZDEAKMKXVGO-CEXWTWQISA-N 0 0 345.427 3.738 50 30 EHEARN N#Cc1cnn(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)c1N ZINC000064657535 214796529 /nfs/dbraw/zinc/79/65/29/214796529.db2.gz VBZXLEUODFYYSG-UHFFFAOYSA-N 0 0 342.402 3.571 50 30 EHEARN Clc1cc(Cl)cc(N=NCCc2nnnn2-c2ccccc2)c1 ZINC000004342926 210175580 /nfs/dbraw/zinc/17/55/80/210175580.db2.gz INDFPMDBDULCGE-CNHKJKLMSA-N 0 0 347.209 3.610 50 30 EHEARN COc1ccc(C(=O)/C=C/c2ccc(Br)o2)c(OC)c1 ZINC000004263964 210155091 /nfs/dbraw/zinc/15/50/91/210155091.db2.gz DSUZHMQAXBFWTQ-QPJJXVBHSA-N 0 0 337.169 3.955 50 30 EHEARN CCCCOC(=O)CSc1nc2c(cc1C#N)C(=O)CC(C)(C)C2 ZINC000004192855 210142858 /nfs/dbraw/zinc/14/28/58/210142858.db2.gz AMUOCXTWVRMFSX-UHFFFAOYSA-N 0 0 346.452 3.544 50 30 EHEARN C=C(C)COc1cccc(NC(=O)c2ccc(CNC(C)=O)cc2)c1 ZINC000065621540 214983649 /nfs/dbraw/zinc/98/36/49/214983649.db2.gz VTRFKJHANXYOFP-UHFFFAOYSA-N 0 0 338.407 3.530 50 30 EHEARN COc1ccc(/C=C/C(=O)c2ccccc2NC(C)=O)cc1OC ZINC000004099893 210118779 /nfs/dbraw/zinc/11/87/79/210118779.db2.gz OQOREUBRQLWDSE-CSKARUKUSA-N 0 0 325.364 3.558 50 30 EHEARN COC(=O)c1sc(N=NCc2ccc(Cl)c(Cl)c2)nc1C ZINC000004071411 210113617 /nfs/dbraw/zinc/11/36/17/210113617.db2.gz OFEPFKDVYSWFDX-OMCISZLKSA-N 0 0 344.223 3.991 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033429 210104380 /nfs/dbraw/zinc/10/43/80/210104380.db2.gz AEINTAGBIPOFHC-CQSZACIVSA-N 0 0 335.382 3.882 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000003982458 210096629 /nfs/dbraw/zinc/09/66/29/210096629.db2.gz LHNVKVKZPHUYQO-SRWWVFQWSA-N 0 0 328.452 3.855 50 30 biogenic,in-vitro EHEARN COc1cccc(/C=C/C(=O)c2cc3cccc(OC)c3oc2=O)c1 ZINC000003911123 210093164 /nfs/dbraw/zinc/09/31/64/210093164.db2.gz HMRHRCYSEMTTHU-MDZDMXLPSA-N 0 0 336.343 3.706 50 30 EHEARN Brc1csc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000003909672 210093167 /nfs/dbraw/zinc/09/31/67/210093167.db2.gz GZQZQOQJDQFUNS-MKMNVTDBSA-N 0 0 338.255 3.988 50 30 EHEARN N#CCSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000003572777 210057695 /nfs/dbraw/zinc/05/76/95/210057695.db2.gz HDRLOQBTFUGYTA-UHFFFAOYSA-N 0 0 338.411 3.943 50 30 EHEARN C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003469550 210047683 /nfs/dbraw/zinc/04/76/83/210047683.db2.gz SQZDHNBGJHEQID-NSHDSACASA-N 0 0 325.368 3.529 50 30 EHEARN N#Cc1ccccc1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000067562595 215162959 /nfs/dbraw/zinc/16/29/59/215162959.db2.gz HIIROVLWKKHJOQ-UHFFFAOYSA-N 0 0 347.349 3.815 50 30 EHEARN Cc1ccc(C(=O)OCCSc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000003125915 209966791 /nfs/dbraw/zinc/96/67/91/209966791.db2.gz JCJZJZKKEQECCB-UHFFFAOYSA-N 0 0 342.376 3.724 50 30 EHEARN C[C@H](c1nc[nH]n1)n1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 ZINC000067757708 215206808 /nfs/dbraw/zinc/20/68/08/215206808.db2.gz HAWIUKDCPPYBLN-CQSZACIVSA-N 0 0 340.390 3.816 50 30 EHEARN CC(C)CN(CC#Cc1ccccc1)C(=O)c1nc2cc(F)ccc2[nH]1 ZINC000067803736 215216140 /nfs/dbraw/zinc/21/61/40/215216140.db2.gz FCORQLHZNFXKCG-UHFFFAOYSA-N 0 0 349.409 3.852 50 30 EHEARN C=CCOc1cccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC000067989816 215268486 /nfs/dbraw/zinc/26/84/86/215268486.db2.gz HGLSMKADFMBZKS-UHFFFAOYSA-N 0 0 334.278 3.690 50 30 EHEARN N#Cc1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)Cl ZINC000002766612 209907138 /nfs/dbraw/zinc/90/71/38/209907138.db2.gz DMZSGQCIHNITHM-NEPJUHHUSA-N 0 0 326.709 3.823 50 30 EHEARN N#C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000068455292 215309513 /nfs/dbraw/zinc/30/95/13/215309513.db2.gz APTJMDDHHLMWTE-RISCZKNCSA-N 0 0 327.211 3.633 50 30 EHEARN O=C(c1ccco1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccco1 ZINC000000795999 209687128 /nfs/dbraw/zinc/68/71/28/209687128.db2.gz USVZWKCEDSGKSC-KRWDZBQOSA-N 0 0 349.342 3.651 50 30 EHEARN C=CCNC(=O)Nc1ccccc1NC(=O)c1ccccc1Cl ZINC000036709621 213112700 /nfs/dbraw/zinc/11/27/00/213112700.db2.gz HLHAMWQBULEKAK-UHFFFAOYSA-N 0 0 329.787 3.900 50 30 EHEARN COC(=O)c1ccc([C@@H](C)Sc2nc(C3CC3)nc(C)c2C#N)o1 ZINC000031851920 212753290 /nfs/dbraw/zinc/75/32/90/212753290.db2.gz UEQYEZZUDMEENR-SNVBAGLBSA-N 0 0 343.408 3.767 50 30 EHEARN CCc1ccccc1CN1CCc2nc[nH]c2[C@H]1c1cccc(C#N)c1 ZINC000072407698 216197671 /nfs/dbraw/zinc/19/76/71/216197671.db2.gz KYKTVUANCRYYIA-JOCHJYFZSA-N 0 0 342.446 3.991 50 30 EHEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1SCC(N)=O ZINC000000051191 209390653 /nfs/dbraw/zinc/39/06/53/209390653.db2.gz LUCJQVRNFJKNGE-UHFFFAOYSA-N 0 0 343.839 3.728 50 30 EHEARN Cc1nn(-c2ccccc2)c(CSc2cc(C)nc(C)n2)c1C#N ZINC000024567627 212426433 /nfs/dbraw/zinc/42/64/33/212426433.db2.gz SNJMOSBZFAAORZ-UHFFFAOYSA-N 0 0 335.436 3.752 50 30 EHEARN C#CCN(Cc1ccco1)Cc1nc(-c2ccccc2OC)oc1C ZINC000023340426 212369145 /nfs/dbraw/zinc/36/91/45/212369145.db2.gz VKLIOIVDPXIBBO-UHFFFAOYSA-N 0 0 336.391 3.887 50 30 EHEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2cccc(O)c2)CC(=O)O3)C1=O ZINC000217773564 241275572 /nfs/dbraw/zinc/27/55/72/241275572.db2.gz SMOJIALNUSVURF-AWEZNQCLSA-N 0 0 336.343 3.702 50 30 biogenic EHEARN Cc1ccc(C/N=C2\C(c3ccc(Cl)cc3)=Nc3ncnn32)cc1 ZINC000021102568 212206964 /nfs/dbraw/zinc/20/69/64/212206964.db2.gz FJWALLPKVDUASI-LVZFUZTISA-N 0 0 335.798 3.821 50 30 EHEARN Cc1cc(C)cc(-c2cc3ncnc(-n4ncc(C#N)c4N)c3s2)c1 ZINC000019797085 212070052 /nfs/dbraw/zinc/07/00/52/212070052.db2.gz HEYMGFDFZKXSBQ-UHFFFAOYSA-N 0 0 346.419 3.615 50 30 EHEARN COc1ccc(/C(C)=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000019773030 212064071 /nfs/dbraw/zinc/06/40/71/212064071.db2.gz YSYLWSXFLHIUGF-PYCFMQQDSA-N 0 0 337.467 3.545 50 30 EHEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000019772304 212063860 /nfs/dbraw/zinc/06/38/60/212063860.db2.gz SKCSYHVYLULWIU-GOSISDBHSA-N 0 0 345.464 3.915 50 30 EHEARN C#Cc1cc(F)c(NC(=O)N2CC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000089261888 217779844 /nfs/dbraw/zinc/77/98/44/217779844.db2.gz DSNWYMWTRKPQQF-HNNXBMFYSA-N 0 0 341.361 3.664 50 30 EHEARN COc1cc(C#N)ccc1OCC(=O)c1cc(C)ccc1OC(F)F ZINC000012749034 211443924 /nfs/dbraw/zinc/44/39/24/211443924.db2.gz XZXNMMARTPSGJG-UHFFFAOYSA-N 0 0 347.317 3.738 50 30 EHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1n[nH]c2ccccc21 ZINC000012520828 211397568 /nfs/dbraw/zinc/39/75/68/211397568.db2.gz WAKNQHVEFHBYOK-UHFFFAOYSA-N 0 0 338.370 3.610 50 30 EHEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccco1 ZINC000009503687 211094778 /nfs/dbraw/zinc/09/47/78/211094778.db2.gz PLJUNSKHWAJUKC-UHFFFAOYSA-N 0 0 336.141 3.532 50 30 EHEARN CSc1ccc(C#N)cc1NC(=O)NC(C)(C)c1nccs1 ZINC000095397930 218330673 /nfs/dbraw/zinc/33/06/73/218330673.db2.gz QRZXFOVPNQCSDH-UHFFFAOYSA-N 0 0 332.454 3.793 50 30 EHEARN CN(C(=O)c1ccc(NCCCC(C)(C)C#N)cc1)C1CCOCC1 ZINC000095418016 218357578 /nfs/dbraw/zinc/35/75/78/218357578.db2.gz XDIDUZAUAMZDDV-UHFFFAOYSA-N 0 0 343.471 3.679 50 30 EHEARN CSc1cc(C(=O)NC2(C#N)CCOCC2)c(Cl)cc1Cl ZINC000095415353 218352944 /nfs/dbraw/zinc/35/29/44/218352944.db2.gz MKXTYMSACJQERV-UHFFFAOYSA-N 0 0 345.251 3.518 50 30 EHEARN N#Cc1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 ZINC000007956143 210869742 /nfs/dbraw/zinc/86/97/42/210869742.db2.gz LMGJNNAQUZUTBE-UHFFFAOYSA-N 0 0 339.782 3.591 50 30 EHEARN CN(Cc1ccco1)C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006785985 210711273 /nfs/dbraw/zinc/71/12/73/210711273.db2.gz KPDBLUDJDFLBNK-UHFFFAOYSA-N 0 0 346.386 3.856 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@H](c1ccccc1OC)[C@H]1CCOC(C)(C)C1 ZINC000005686408 210516253 /nfs/dbraw/zinc/51/62/53/210516253.db2.gz SRYXQBHPVZMMOV-YXJHDRRASA-N 0 0 345.439 3.687 50 30 EHEARN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CC1(C#N)CC1 ZINC000096500954 218876779 /nfs/dbraw/zinc/87/67/79/218876779.db2.gz OOZLEMZRAGUONM-SNVBAGLBSA-N 0 0 347.267 3.620 50 30 EHEARN O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCO2 ZINC000005129739 210397188 /nfs/dbraw/zinc/39/71/88/210397188.db2.gz AJFKLVWKKFGIOZ-XVNBXDOJSA-N 0 0 332.302 3.955 50 30 EHEARN O=C(C=CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000004905402 210319349 /nfs/dbraw/zinc/31/93/49/210319349.db2.gz KBZHHIDMKCPAMS-WAYWQWQTSA-N 0 0 346.726 3.785 50 30 EHEARN C=CCOc1cccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)c1 ZINC000004868557 210308029 /nfs/dbraw/zinc/30/80/29/210308029.db2.gz ATVMBBFMQDCVSP-UHFFFAOYSA-N 0 0 338.363 3.986 50 30 EHEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000004834430 210292257 /nfs/dbraw/zinc/29/22/57/210292257.db2.gz FXKUPUAMUAXBIY-UHFFFAOYSA-N 0 0 330.771 3.628 50 30 EHEARN O=C1c2ccccc2C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C1Cl ZINC000004830912 210291004 /nfs/dbraw/zinc/29/10/04/210291004.db2.gz WQJPTKXOYCBASA-UHFFFAOYSA-N 0 0 328.711 3.536 50 30 EHEARN C=CCN(C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C(=O)C1CCC1 ZINC000006695256 258044943 /nfs/dbraw/zinc/04/49/43/258044943.db2.gz QJTDXPDHWJTUSF-MRXNPFEDSA-N 0 0 332.831 3.648 50 30 EHEARN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)CC#N)CC2)c1 ZINC000408520169 257979878 /nfs/dbraw/zinc/97/98/78/257979878.db2.gz PALFBLXBFSOQIQ-UHFFFAOYSA-N 0 0 343.427 3.653 50 30 EHEARN Cc1onc(CC(=O)Nc2cccc(Nc3ccccc3)c2)c1C#N ZINC000408513911 257984546 /nfs/dbraw/zinc/98/45/46/257984546.db2.gz WNWISGBASWUEMZ-UHFFFAOYSA-N 0 0 332.363 3.780 50 30 EHEARN C=CCCC(=O)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 ZINC000299801691 258005970 /nfs/dbraw/zinc/00/59/70/258005970.db2.gz YDTLEIFCPZLKRY-UHFFFAOYSA-N 0 0 338.455 3.829 50 30 EHEARN O=c1c2c3c(sc2ncn1/N=C/c1cccc(Cl)c1)CCCC3 ZINC000000119049 258047258 /nfs/dbraw/zinc/04/72/58/258047258.db2.gz BXHBVVVWWDAZCW-AWQFTUOYSA-N 0 0 343.839 3.872 50 30 EHEARN C=CCNC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000013001958 258017442 /nfs/dbraw/zinc/01/74/42/258017442.db2.gz GFGXNDGOGLFQEA-GFCCVEGCSA-N 0 0 339.420 3.673 50 30 EHEARN COc1ccc(Br)cc1/C=N/OC(=O)c1ccc(C)cc1 ZINC000002534517 258049834 /nfs/dbraw/zinc/04/98/34/258049834.db2.gz MLJXOWZLBRLFEE-VCHYOVAHSA-N 0 0 348.196 3.957 50 30 EHEARN COc1ccc(Br)c(C(=O)OCc2cccc(C#N)c2)c1 ZINC000005102259 258051405 /nfs/dbraw/zinc/05/14/05/258051405.db2.gz UGFUQOFWXCWTBK-UHFFFAOYSA-N 0 0 346.180 3.686 50 30 EHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccccc2C)C1=O ZINC000007332304 258052634 /nfs/dbraw/zinc/05/26/34/258052634.db2.gz MBPXMJUZDQNQNO-LGMDPLHJSA-N 0 0 349.386 3.822 50 30 EHEARN C[C@H](Sc1nncs1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000012642263 258054962 /nfs/dbraw/zinc/05/49/62/258054962.db2.gz PPCUWKWMKGDGEQ-ZRRZQRFHSA-N 0 0 345.493 3.899 50 30 EHEARN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000013479074 258056140 /nfs/dbraw/zinc/05/61/40/258056140.db2.gz LGKGYAJUUGDQET-CMDGGOBGSA-N 0 0 342.351 3.729 50 30 EHEARN C(=Cc1ccccc1)C=Nn1cnnc1N=NC=CCc1ccccc1 ZINC000004498985 518372651 /nfs/dbraw/zinc/37/26/51/518372651.db2.gz MCOBYYTXIFWZMI-CNNFVRDUSA-N 0 0 342.406 3.937 50 30 EHEARN CC(=[NH+][N-]c1ccc(F)cc1)c1cc(F)c(N2CCOCC2)cc1C ZINC000015658565 518453938 /nfs/dbraw/zinc/45/39/38/518453938.db2.gz VOMCXUGJEGUKOR-HMAPJEAMSA-N 0 0 345.393 3.946 50 30 EHEARN C=CCN(CCSc1ccccc1)C(=O)C1CCC(OC)CC1 ZINC000055243268 518774896 /nfs/dbraw/zinc/77/48/96/518774896.db2.gz JLYUTSNVBZDFHZ-UHFFFAOYSA-N 0 0 333.497 3.999 50 30 EHEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1c(C)nc2sccn21 ZINC000055131919 518784798 /nfs/dbraw/zinc/78/47/98/518784798.db2.gz QUBPLJUIXITKEB-UHFFFAOYSA-N 0 0 341.436 3.541 50 30 EHEARN C=CCNc1ccccc1C(=O)N(C)Cc1noc(-c2ccccc2)n1 ZINC000055283141 518961284 /nfs/dbraw/zinc/96/12/84/518961284.db2.gz PTSNYOHJVPALMI-UHFFFAOYSA-N 0 0 348.406 3.607 50 30 EHEARN C=CCNc1nc(C(=O)OCCCC(=O)c2ccc(F)cc2)cs1 ZINC000005040307 518962843 /nfs/dbraw/zinc/96/28/43/518962843.db2.gz PUWDEOYTVIFCCD-UHFFFAOYSA-N 0 0 348.399 3.700 50 30 EHEARN C=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007266498 519032953 /nfs/dbraw/zinc/03/29/53/519032953.db2.gz WRBMNXMCTZUWKL-INIZCTEOSA-N 0 0 349.434 3.582 50 30 EHEARN C=CCc1ccc(OC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000019938687 519133511 /nfs/dbraw/zinc/13/35/11/519133511.db2.gz WCNBRPPPCWLJSX-UHFFFAOYSA-N 0 0 328.324 3.943 50 30 EHEARN CC(C)Oc1ncc(C(=O)N(CCC#N)Cc2ccco2)cc1Cl ZINC000058225041 519785867 /nfs/dbraw/zinc/78/58/67/519785867.db2.gz OEWWSNFUHLDJJL-UHFFFAOYSA-N 0 0 347.802 3.671 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096420678 521236803 /nfs/dbraw/zinc/23/68/03/521236803.db2.gz LHHAOXPCVBTLRR-BNOWGMLFSA-N 0 0 340.345 3.697 50 30 EHEARN CCOC(=O)c1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)cc1 ZINC000000441214 521519226 /nfs/dbraw/zinc/51/92/26/521519226.db2.gz LYZKDCURNVNBDU-CQSZACIVSA-N 0 0 325.364 3.899 50 30 EHEARN CC[C@H](OC)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000062681428 522845948 /nfs/dbraw/zinc/84/59/48/522845948.db2.gz LMUDHIBCXZTDBN-ZANVPECISA-N 0 0 336.363 3.690 50 30 EHEARN COc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)c(OC)c1 ZINC000003882622 523398787 /nfs/dbraw/zinc/39/87/87/523398787.db2.gz AODFDEJGWCSWNW-RMKNXTFCSA-N 0 0 328.364 3.617 50 30 biogenic EHEARN COc1ccc(C(=O)C=CNc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000015659983 523535418 /nfs/dbraw/zinc/53/54/18/523535418.db2.gz ZVTHEHWXXJLYQM-CMDGGOBGSA-N 0 0 342.351 3.729 50 30 EHEARN Cc1cc(NN=Cc2ccccc2F)nc(NCc2ccccc2)n1 ZINC000004811908 525043755 /nfs/dbraw/zinc/04/37/55/525043755.db2.gz SXUUAQGXPIPZIQ-LPYMAVHISA-N 0 0 335.386 3.982 50 30 EHEARN Cc1ccc(OCCOc2ccc(C=Nc3nc[nH]n3)cc2)cc1C ZINC000004615589 525424351 /nfs/dbraw/zinc/42/43/51/525424351.db2.gz ULKYKGBDYHJZLO-UDWIEESQSA-N 0 0 336.395 3.630 50 30 EHEARN COc1cccc(C2=CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)c1 ZINC000328586722 525857191 /nfs/dbraw/zinc/85/71/91/525857191.db2.gz JRLYCZGULJPMDV-UHFFFAOYSA-N 0 0 336.366 3.635 50 30 EHEARN C[C@H](Sc1cc(C#N)ccn1)C(=O)Nc1cc(Cl)ccc1F ZINC000077908379 525985836 /nfs/dbraw/zinc/98/58/36/525985836.db2.gz YUIMBCNAOGMOBJ-VIFPVBQESA-N 0 0 335.791 3.865 50 30 EHEARN C[C@H](Sc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1 ZINC000012547045 525991760 /nfs/dbraw/zinc/99/17/60/525991760.db2.gz QAQPGSBSQMNPGE-HNNXBMFYSA-N 0 0 325.437 3.505 50 30 EHEARN N#CCCSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000004176923 526463389 /nfs/dbraw/zinc/46/33/89/526463389.db2.gz AOGNLZYXKARXPL-UHFFFAOYSA-N 0 0 333.394 3.914 50 30 EHEARN N#CCC[C@@H](C#N)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000024099587 526465116 /nfs/dbraw/zinc/46/51/16/526465116.db2.gz CADYPKRVODBKEF-JTQLQIEISA-N 0 0 333.417 3.956 50 30 EHEARN N#CC(=NNc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000252629595 564123513 /nfs/dbraw/zinc/12/35/13/564123513.db2.gz UJQZSWSSXCXWPH-UHFFFAOYSA-N 0 0 328.169 3.623 50 30 EHEARN Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)c(C)c1 ZINC000000207234 563260019 /nfs/dbraw/zinc/26/00/19/563260019.db2.gz UPFQFDIDONUUJZ-LVZFUZTISA-N 0 0 339.416 3.542 50 30 EHEARN Cc1cccc(NN=C(C#N)C(=O)c2ccc(Br)cc2)c1 ZINC000000353258 563290512 /nfs/dbraw/zinc/29/05/12/563290512.db2.gz GDBJMTSLSVQSLJ-HKWRFOASSA-N 0 0 342.196 3.932 50 30 EHEARN Cc1cc(C)c(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000000441959 563314114 /nfs/dbraw/zinc/31/41/14/563314114.db2.gz FXCODAXAXBSCIM-VCHYOVAHSA-N 0 0 336.844 3.578 50 30 EHEARN CCc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000001247735 563381403 /nfs/dbraw/zinc/38/14/03/563381403.db2.gz XMZMVHVUPKKNRL-XDHOZWIPSA-N 0 0 338.436 3.590 50 30 EHEARN CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000001655998 563399613 /nfs/dbraw/zinc/39/96/13/563399613.db2.gz IKTWAVWPFLQACH-RJQCYMMPSA-N 0 0 326.436 3.823 50 30 in-vitro EHEARN Cc1nc(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 ZINC000071890199 563421434 /nfs/dbraw/zinc/42/14/34/563421434.db2.gz CPPIXSWSCFPSRC-CYBMUJFWSA-N 0 0 340.235 3.682 50 30 EHEARN N#C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C1CCCCC1 ZINC000071908684 563569645 /nfs/dbraw/zinc/56/96/45/563569645.db2.gz NEZMDOUBZPZYKZ-MRXNPFEDSA-N 0 0 329.469 3.882 50 30 EHEARN COc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000013111978 563688214 /nfs/dbraw/zinc/68/82/14/563688214.db2.gz ARVFXJQWJCADQR-ZHZULCJRSA-N 0 0 329.831 3.505 50 30 EHEARN N=C(N)Nc1nc(-c2c3ccccc3[nH]c2-c2ccccc2)cs1 ZINC000032771487 563731049 /nfs/dbraw/zinc/73/10/49/563731049.db2.gz YLLGKOFLSRSTAO-UHFFFAOYSA-N 0 0 333.420 3.863 50 30 EHEARN N#Cc1c[nH]c(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000175387822 563856908 /nfs/dbraw/zinc/85/69/08/563856908.db2.gz IPRUSUQBMRKMPL-UHFFFAOYSA-N 0 0 336.395 3.657 50 30 EHEARN C=CC[C@H](NC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccncc1 ZINC000072285359 563907073 /nfs/dbraw/zinc/90/70/73/563907073.db2.gz XVVRALZMLOREIQ-AWEZNQCLSA-N 0 0 348.349 3.739 50 30 EHEARN C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000046241547 563916384 /nfs/dbraw/zinc/91/63/84/563916384.db2.gz CNEXNSATWHQFHK-NSHDSACASA-N 0 0 334.297 3.948 50 30 EHEARN C=CC1CCN(C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000096496090 563955688 /nfs/dbraw/zinc/95/56/88/563955688.db2.gz SSBHWXJYZRAYNP-LLVKDONJSA-N 0 0 343.393 3.590 50 30 EHEARN O=C(/C=C/c1ccccc1Cl)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000074941615 563967085 /nfs/dbraw/zinc/96/70/85/563967085.db2.gz ZLPSVARXPPEILL-JXMROGBWSA-N 0 0 337.762 3.666 50 30 EHEARN N#CC1CCN(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000097100534 563967693 /nfs/dbraw/zinc/96/76/93/563967693.db2.gz WQALJZIHUDGOCB-ZDUSSCGKSA-N 0 0 347.287 3.513 50 30 EHEARN CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000000034828 563967844 /nfs/dbraw/zinc/96/78/44/563967844.db2.gz NFJVCSVCPFMKGQ-GOSISDBHSA-N 0 0 339.391 3.888 50 30 EHEARN Cc1[nH]ccc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000176150195 563977423 /nfs/dbraw/zinc/97/74/23/563977423.db2.gz QRZIZEDSNQNOFV-HXUWFJFHSA-N 0 0 345.402 3.897 50 30 EHEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000000261574 563989699 /nfs/dbraw/zinc/98/96/99/563989699.db2.gz QSWYRTBLPCAZLC-IBGZPJMESA-N 0 0 335.403 3.522 50 30 EHEARN CC(=CN=Nc1nnc2c3ccccc3n(C)c2n1)Cc1ccco1 ZINC000252605139 563997988 /nfs/dbraw/zinc/99/79/88/563997988.db2.gz GGLVZSUBFKMENU-OWJNEIFXSA-N 0 0 332.367 3.611 50 30 EHEARN Cc1ccc(C[C@@H]2S/C(=N\N=C\c3cccs3)NC2=O)cc1C ZINC000005234028 564001372 /nfs/dbraw/zinc/00/13/72/564001372.db2.gz HWLXLMVCSAVNPG-ZNBBLSJYSA-N 0 0 343.477 3.529 50 30 EHEARN COc1ccc(/C=N/n2c3ccccc3n(C)c2=S)cc1OC ZINC000005516062 564004936 /nfs/dbraw/zinc/00/49/36/564004936.db2.gz ISRFCXKOBAXXCV-WOJGMQOQSA-N 0 0 327.409 3.609 50 30 EHEARN COc1cc2c(c(OC)c1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000018200449 564018741 /nfs/dbraw/zinc/01/87/41/564018741.db2.gz KXKXLUDBBKLHER-SFHVURJKSA-N 0 0 336.391 3.663 50 30 EHEARN Cc1cc2c(cc1C)n(/N=C/c1ccc([N+](=O)[O-])o1)c(=S)n2C ZINC000000523167 564021159 /nfs/dbraw/zinc/02/11/59/564021159.db2.gz LSWILPWTDTXRAG-LZYBPNLTSA-N 0 0 330.369 3.710 50 30 EHEARN N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCCc1ccccc1 ZINC000000535932 564022095 /nfs/dbraw/zinc/02/20/95/564022095.db2.gz FWCXASFQZBZKCT-UHFFFAOYSA-N 0 0 334.335 3.776 50 30 EHEARN COc1ccccc1NC(=O)NCCSCc1ccccc1C#N ZINC000014813913 564023966 /nfs/dbraw/zinc/02/39/66/564023966.db2.gz GBKCXIYXSUIDCY-UHFFFAOYSA-N 0 0 341.436 3.622 50 30 EHEARN N#Cc1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 ZINC000045029164 564028074 /nfs/dbraw/zinc/02/80/74/564028074.db2.gz PYLQOJIHCWVLRN-UHFFFAOYSA-N 0 0 335.407 3.771 50 30 EHEARN O=C(N=C(NCc1cccnc1)Nc1ccccc1)c1ccc(F)cc1 ZINC000046127042 564029637 /nfs/dbraw/zinc/02/96/37/564029637.db2.gz OXLGPIPCKCLUBS-UHFFFAOYSA-N 0 0 348.381 3.619 50 30 EHEARN CN(CC(=O)Nc1nccs1)Cc1cc(Br)cs1 ZINC000048375152 564031646 /nfs/dbraw/zinc/03/16/46/564031646.db2.gz AGOJRYHEGSTRLZ-UHFFFAOYSA-N 0 0 346.275 3.687 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000015079914 564053285 /nfs/dbraw/zinc/05/32/85/564053285.db2.gz RBRUBHMAHWFRCB-NSHDSACASA-N 0 0 334.297 3.983 50 30 EHEARN CCc1c(C)sc(NC(=O)c2cccc(OC)c2OC)c1C#N ZINC000001002026 564053933 /nfs/dbraw/zinc/05/39/33/564053933.db2.gz LWTPJSQLISYTKU-UHFFFAOYSA-N 0 0 330.409 3.760 50 30 EHEARN CC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O ZINC000005824898 564056510 /nfs/dbraw/zinc/05/65/10/564056510.db2.gz FGENBQSUPIZBTG-UKWGHVSLSA-N 0 0 348.354 3.589 50 30 biogenic EHEARN C=CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(OC)cc1 ZINC000005855356 564056679 /nfs/dbraw/zinc/05/66/79/564056679.db2.gz QLVSIGKTOVOXTP-INIZCTEOSA-N 0 0 343.452 3.744 50 30 EHEARN N#Cc1ccc(C(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cc1 ZINC000003241588 564058602 /nfs/dbraw/zinc/05/86/02/564058602.db2.gz ULSQSFLCDSXIGF-UHFFFAOYSA-N 0 0 333.294 3.838 50 30 EHEARN N#CCN(Cc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 ZINC000087159155 564067457 /nfs/dbraw/zinc/06/74/57/564067457.db2.gz WMWYZKCJKRWTBQ-UHFFFAOYSA-N 0 0 333.416 3.976 50 30 EHEARN Cc1oc(NC(=O)CN2CCC[C@@H]2c2cccs2)c(C#N)c1C ZINC000025948815 564068692 /nfs/dbraw/zinc/06/86/92/564068692.db2.gz XWXMVSWYQNFOSI-CQSZACIVSA-N 0 0 329.425 3.605 50 30 EHEARN COc1ccc(/C=C\C(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000006075582 564073522 /nfs/dbraw/zinc/07/35/22/564073522.db2.gz VRELEDVSCJYUDY-VURMDHGXSA-N 0 0 342.420 3.906 50 30 EHEARN C=CCn1c(SCc2cc(C)on2)nc2cc(Cl)ccc2c1=O ZINC000014084881 564074077 /nfs/dbraw/zinc/07/40/77/564074077.db2.gz SLXXRUIYMYRDEX-UHFFFAOYSA-N 0 0 347.827 3.825 50 30 EHEARN O[C@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000000077186 564074469 /nfs/dbraw/zinc/07/44/69/564074469.db2.gz YQNRWDFBGOHZLY-OAQYLSRUSA-N 0 0 332.374 3.799 50 30 EHEARN N#Cc1cccnc1Oc1ccccc1NCc1nnsc1Cl ZINC000089104074 564081393 /nfs/dbraw/zinc/08/13/93/564081393.db2.gz UOJVRYNGVSJPMY-UHFFFAOYSA-N 0 0 343.799 3.863 50 30 EHEARN COc1ccccc1/C=C/C=NN1CCN(Cc2ccccc2)CC1 ZINC000245232342 564088626 /nfs/dbraw/zinc/08/86/26/564088626.db2.gz SXOUUKQWOKMHEP-MYEDEKDNSA-N 0 0 335.451 3.512 50 30 EHEARN CSc1c(C#N)c(NC(=O)Cc2ccccc2)nn1-c1ccccc1 ZINC000001986978 564090371 /nfs/dbraw/zinc/09/03/71/564090371.db2.gz WBTORSKQWDSVEQ-UHFFFAOYSA-N 0 0 348.431 3.647 50 30 EHEARN C[C@H](c1nnc(COc2ccccc2C#N)o1)N(C)Cc1ccccc1 ZINC000521393810 564090887 /nfs/dbraw/zinc/09/08/87/564090887.db2.gz LCKQBRYKJMRGKI-OAHLLOKOSA-N 0 0 348.406 3.713 50 30 EHEARN C=CCN1CCN(C(=O)Nc2ccc(F)c(Cl)c2)c2cccnc21 ZINC000064929533 564097902 /nfs/dbraw/zinc/09/79/02/564097902.db2.gz UDKXNMCAPONLNX-UHFFFAOYSA-N 0 0 346.793 3.919 50 30 EHEARN C=CCCC(=O)Nc1nc(-c2ccc([C@@H](C)NC(C)=O)cc2)cs1 ZINC000065489174 564106349 /nfs/dbraw/zinc/10/63/49/564106349.db2.gz HBYFRIARDNIDBG-GFCCVEGCSA-N 0 0 343.452 3.912 50 30 EHEARN N#Cc1ccc(COC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000007295132 564106544 /nfs/dbraw/zinc/10/65/44/564106544.db2.gz WCEIDYZURGOPMR-UHFFFAOYSA-N 0 0 333.387 3.753 50 30 EHEARN N#C[C@@H](NC(=O)/C=C/c1cccc2cccnc12)c1ccccc1F ZINC000065518532 564106796 /nfs/dbraw/zinc/10/67/96/564106796.db2.gz WRJZBJULZAVRKY-DOJUMQAQSA-N 0 0 331.350 3.768 50 30 EHEARN C=CCCC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000065522850 564106892 /nfs/dbraw/zinc/10/68/92/564106892.db2.gz CQDBTHMXQGAZNN-UHFFFAOYSA-N 0 0 340.389 3.752 50 30 EHEARN CCN(C[C@@H](C)C#N)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000065563395 564107011 /nfs/dbraw/zinc/10/70/11/564107011.db2.gz NNBWTJLWLAMTJJ-ZDUSSCGKSA-N 0 0 340.427 3.656 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000007544462 564110262 /nfs/dbraw/zinc/11/02/62/564110262.db2.gz BMHLSCNWTJSXFL-CQSZACIVSA-N 0 0 349.821 3.843 50 30 EHEARN Cc1cccc2c1OCC/C(=C\c1nccn1CC(F)(F)F)C2=O ZINC000071793597 564111151 /nfs/dbraw/zinc/11/11/51/564111151.db2.gz IEEBDICDPKODEV-FMIVXFBMSA-N 0 0 336.313 3.803 50 30 EHEARN N#CCCN(C(=O)Nc1ccc(OC(F)F)c2ncccc12)C1CC1 ZINC000076019218 564114550 /nfs/dbraw/zinc/11/45/50/564114550.db2.gz NPEJVSNXDDCMAD-UHFFFAOYSA-N 0 0 346.337 3.746 50 30 EHEARN CC(C)(C)c1cc(C=NN2CN=NC2=S)cc(C(C)(C)C)c1O ZINC000252477003 564119086 /nfs/dbraw/zinc/11/90/86/564119086.db2.gz GKRQYYVRWSTHOQ-UHFFFAOYSA-N 0 0 332.473 3.750 50 30 EHEARN N#Cc1c(COc2cccc(Oc3ncccn3)c2)cn2ccccc12 ZINC000170651000 564120349 /nfs/dbraw/zinc/12/03/49/564120349.db2.gz STDREXHNXQDMPS-UHFFFAOYSA-N 0 0 342.358 3.972 50 30 EHEARN C[C@H](CC#N)NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194113661 564120422 /nfs/dbraw/zinc/12/04/22/564120422.db2.gz KQJQEQINFORVTR-SSDOTTSWSA-N 0 0 337.248 3.730 50 30 EHEARN C(=NNc1ccc2nncn2n1)c1c2ccccc2cc2ccccc21 ZINC000252616867 564122096 /nfs/dbraw/zinc/12/20/96/564122096.db2.gz KHISJFPSXKLIDJ-UHFFFAOYSA-N 0 0 338.374 3.877 50 30 EHEARN Cc1nnc(N2CCC(c3cc4ccccc4[nH]3)CC2)c(C#N)c1C ZINC000065946592 564122440 /nfs/dbraw/zinc/12/24/40/564122440.db2.gz HJFPUDHMLNKOAL-UHFFFAOYSA-N 0 0 331.423 3.830 50 30 EHEARN CCC(=O)Nc1ccc(C2=NN/C(=N\C3CCCCC3)SC2)cc1 ZINC000007849563 564124228 /nfs/dbraw/zinc/12/42/28/564124228.db2.gz MEPZXNRALUTJMN-UHFFFAOYSA-N 0 0 344.484 3.764 50 30 EHEARN CC(=NNc1nnc(SCc2ccccc2C)[nH]1)c1ccncc1 ZINC000253476378 564124623 /nfs/dbraw/zinc/12/46/23/564124623.db2.gz DRUIOKGRQCNYHQ-UHFFFAOYSA-N 0 0 338.440 3.637 50 30 EHEARN CC(C)n1cc(C#N)c(NC(=O)c2ccc(Cl)c3ncccc23)n1 ZINC000253397738 564130558 /nfs/dbraw/zinc/13/05/58/564130558.db2.gz APTGSWJIJXKGQD-UHFFFAOYSA-N 0 0 339.786 3.790 50 30 EHEARN N#CCCN(CC(F)(F)F)C(=O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000253420309 564131028 /nfs/dbraw/zinc/13/10/28/564131028.db2.gz WETQVSYDHSWDAG-NSHDSACASA-N 0 0 346.736 3.511 50 30 EHEARN CCc1c(C)nc(C)nc1-c1ccc(C(=O)N2CCC(C#N)CC2)cc1 ZINC000584892611 564131563 /nfs/dbraw/zinc/13/15/63/564131563.db2.gz AADHGKSBMBIXGR-UHFFFAOYSA-N 0 0 348.450 3.699 50 30 EHEARN Cc1ccccc1-c1ncc(CN2CCCn3nc(C#N)cc3C2)s1 ZINC000065532176 564134368 /nfs/dbraw/zinc/13/43/68/564134368.db2.gz AJJHWGRWKAHPDC-UHFFFAOYSA-N 0 0 349.463 3.593 50 30 EHEARN N#Cc1ccnc(N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)c1 ZINC000067818158 564134932 /nfs/dbraw/zinc/13/49/32/564134932.db2.gz UFNMBBOKWAXLOM-UHFFFAOYSA-N 0 0 343.434 3.651 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000012987187 564135775 /nfs/dbraw/zinc/13/57/75/564135775.db2.gz CSCMFUFTVZHXOL-UONOGXRCSA-N 0 0 334.375 3.949 50 30 EHEARN Cc1c(C(=O)N[C@H](C#N)c2ccc(F)cc2F)cnn1C1CCCC1 ZINC000095450389 564140588 /nfs/dbraw/zinc/14/05/88/564140588.db2.gz YLPOPODPYFFICO-QGZVFWFLSA-N 0 0 344.365 3.580 50 30 EHEARN Cc1cc(C=NNC(=S)NC2CCCCC2)c(C)n1CC(C)C ZINC000254508720 564145522 /nfs/dbraw/zinc/14/55/22/564145522.db2.gz UNZQOTMSUVUUHG-UHFFFAOYSA-N 0 0 334.533 3.892 50 30 EHEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCCCn1ccnc1 ZINC000096346252 564146840 /nfs/dbraw/zinc/14/68/40/564146840.db2.gz BVJCPUOLMPKJCZ-CVEARBPZSA-N 0 0 333.395 3.516 50 30 EHEARN N#CCCN(CCC#N)Cc1ccc(Br)c2cccnc12 ZINC000096499891 564148757 /nfs/dbraw/zinc/14/87/57/564148757.db2.gz DXIKCJCTBNPEQB-UHFFFAOYSA-N 0 0 343.228 3.627 50 30 EHEARN COc1cc(/C=C2\Oc3ccccc3C2=O)cc(Br)c1O ZINC000299738330 564150498 /nfs/dbraw/zinc/15/04/98/564150498.db2.gz WJARZTVRPULCDC-ZSOIEALJSA-N 0 0 347.164 3.780 50 30 EHEARN CCOc1ncccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002644574 564151776 /nfs/dbraw/zinc/15/17/76/564151776.db2.gz ZLQPNFUYILPSGA-UHFFFAOYSA-N 0 0 327.409 3.545 50 30 EHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nncs1 ZINC000028802772 564152578 /nfs/dbraw/zinc/15/25/78/564152578.db2.gz VGYWTEYNICTPGZ-ZSOIEALJSA-N 0 0 331.466 3.511 50 30 EHEARN CC1(C)C[C@@H](C(=O)N2CCc3c2cccc3C#N)c2ccccc2O1 ZINC000591524065 564152889 /nfs/dbraw/zinc/15/28/89/564152889.db2.gz GEMSUIFPZAGDHS-QGZVFWFLSA-N 0 0 332.403 3.792 50 30 EHEARN COCc1cc(C)c(C#N)c(SCC(=O)c2ccc(C)cc2C)n1 ZINC000003112195 564155222 /nfs/dbraw/zinc/15/52/22/564155222.db2.gz SNGMNIHYRZOHDJ-UHFFFAOYSA-N 0 0 340.448 4.000 50 30 EHEARN C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)CC(=O)N3)cc(OC)c1O ZINC000057789279 564155868 /nfs/dbraw/zinc/15/58/68/564155868.db2.gz XWTDBPPWAXILRI-VMPITWQZSA-N 0 0 349.386 3.520 50 30 EHEARN N#Cc1ccc(NC2CCN(C(=O)c3ccccc3F)CC2)c(F)c1 ZINC000058327649 564158604 /nfs/dbraw/zinc/15/86/04/564158604.db2.gz HARAEGDMHYHDKU-UHFFFAOYSA-N 0 0 341.361 3.553 50 30 EHEARN N#Cc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000008039576 564162336 /nfs/dbraw/zinc/16/23/36/564162336.db2.gz SYPIMNQCPVZHBA-UHFFFAOYSA-N 0 0 328.375 3.874 50 30 EHEARN COc1ccc(COCc2cccc(NC(=O)C(C)(C)C#N)c2)cc1 ZINC000069918327 564172804 /nfs/dbraw/zinc/17/28/04/564172804.db2.gz BDQNJNLURQYCEN-UHFFFAOYSA-N 0 0 338.407 3.900 50 30 EHEARN C=C(C)CN(CC)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000077535257 564176754 /nfs/dbraw/zinc/17/67/54/564176754.db2.gz RFKCVOWGGBFLRP-UHFFFAOYSA-N 0 0 332.444 3.922 50 30 EHEARN Cc1ncsc1NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000328846710 1018628344 /nfs/dbraw/zinc/62/83/44/1018628344.db2.gz VPHTUXLTAOFZRQ-UHFFFAOYSA-N 0 0 338.230 3.929 50 30 EHEARN CC(=NO)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257355424 1019067756 /nfs/dbraw/zinc/06/77/56/1019067756.db2.gz APPUXDKAIYXQHD-LTGKAUERSA-N 0 0 347.499 3.891 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cnc3cccc(C)n23)cc1NC(C)=O ZINC000079014632 1021747173 /nfs/dbraw/zinc/74/71/73/1021747173.db2.gz QKSHYHNVLNBMSF-CMDGGOBGSA-N 0 0 349.390 3.506 50 30 EHEARN C=CCn1c(SCCOc2ccccc2)nnc1-c1ccncc1 ZINC000008391838 1024266890 /nfs/dbraw/zinc/26/68/90/1024266890.db2.gz BJNMKJQTMOJQOY-UHFFFAOYSA-N 0 0 338.436 3.697 50 30 EHEARN Cn1ccnc1CN1CCC(C(=O)NC(C)(C)c2cccs2)CC1 ZINC000329656900 1040557795 /nfs/dbraw/zinc/55/77/95/1040557795.db2.gz MXIWEPGJJZNYKM-UHFFFAOYSA-N 0 0 346.500 3.585 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H]2CCOc3c(Cl)cccc32)N=N1 ZINC000952879771 1137483189 /nfs/dbraw/zinc/48/31/89/1137483189.db2.gz HEEFGCAFKAQBGL-CQSZACIVSA-N 0 0 331.803 3.636 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)N=N1 ZINC000952880722 1137483192 /nfs/dbraw/zinc/48/31/92/1137483192.db2.gz KZPQHHFPMLQJBK-FQEVSTJZSA-N 0 0 346.434 3.951 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)ccc1OCC#N ZINC000002662987 1138062912 /nfs/dbraw/zinc/06/29/12/1138062912.db2.gz NTSIPTHGDDAZKJ-UXBLZVDNSA-N 0 0 348.402 3.738 50 30 EHEARN C#CC[C@@H](NS(=O)(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000221980878 1138232266 /nfs/dbraw/zinc/23/22/66/1138232266.db2.gz RDZNPALSIVYMEC-SWNWVQGVSA-N 0 0 345.851 3.995 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000051428121 214093179 /nfs/dbraw/zinc/09/31/79/214093179.db2.gz BEOZUCWBNBZUMM-UHFFFAOYSA-N 0 0 346.843 3.523 50 30 EHEARN C=CCn1cc(CN(Cc2ccccc2F)[C@H](C)COC)c(C)n1 ZINC000055197376 214286212 /nfs/dbraw/zinc/28/62/12/214286212.db2.gz SXCLZWHIWHXVAI-OAHLLOKOSA-N 0 0 331.435 3.554 50 30 EHEARN C=C(C)COc1c(CN[C@H](c2nccn2C)C(C)C)cccc1OC ZINC000055324877 214306472 /nfs/dbraw/zinc/30/64/72/214306472.db2.gz UYYOHXPWYJYZBN-SFHVURJKSA-N 0 0 343.471 3.871 50 30 EHEARN C=CCn1cc(CN(Cc2cccc(OC)c2OC)C(C)C)c(C)n1 ZINC000055415067 214322746 /nfs/dbraw/zinc/32/27/46/214322746.db2.gz BJUOQUAPUHQRGV-UHFFFAOYSA-N 0 0 343.471 3.805 50 30 EHEARN COCCOc1ccc(NC(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000056334803 214370745 /nfs/dbraw/zinc/37/07/45/214370745.db2.gz BNKFRYPBNIPZKL-UHFFFAOYSA-N 0 0 325.368 3.536 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N[C@@](C)(C#N)C(C)C ZINC000098054151 219074690 /nfs/dbraw/zinc/07/46/90/219074690.db2.gz ICHBNRNGRVSFGF-DUQGCJEPSA-N 0 0 336.439 3.557 50 30 EHEARN Cc1nc([N-][NH+]=Cc2ccc(N(C)C)cc2)cc(-c2ccccc2)n1 ZINC000004595529 210229485 /nfs/dbraw/zinc/22/94/85/210229485.db2.gz RWNYEXDBDOSZTM-KGENOOAVSA-N 0 0 331.423 3.964 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)SC1=S ZINC000098087075 219082447 /nfs/dbraw/zinc/08/24/47/219082447.db2.gz GZINUUUDBXRUNW-WQLSENKSSA-N 0 0 325.842 3.736 50 30 EHEARN C/C(=N\O)c1ccc(OC(=O)c2cccc(Br)c2)cc1 ZINC000004566501 210222339 /nfs/dbraw/zinc/22/23/39/210222339.db2.gz LJQNIGQNWUELHD-LICLKQGHSA-N 0 0 334.169 3.867 50 30 EHEARN O=[N+]([O-])c1ccc(N=NC2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000100286936 219096108 /nfs/dbraw/zinc/09/61/08/219096108.db2.gz CZTQUALVXAKOOI-VKAVYKQESA-N 0 0 326.312 3.656 50 30 EHEARN Clc1ccc(/C=N/N2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000100607484 219102585 /nfs/dbraw/zinc/10/25/85/219102585.db2.gz WONJEZJYSWIFPJ-UDWIEESQSA-N 0 0 335.238 3.545 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 ZINC000100760600 219105658 /nfs/dbraw/zinc/10/56/58/219105658.db2.gz RXKQWQWAWGCAQF-USXIJHARSA-N 0 0 333.403 3.817 50 30 EHEARN CCOC(=O)c1cc(C(C)=NNc2ccccc2C(F)(F)F)on1 ZINC000004394633 210187954 /nfs/dbraw/zinc/18/79/54/210187954.db2.gz IMFCKPFWDPYNIT-DJKKODMXSA-N 0 0 341.289 3.706 50 30 EHEARN O=[N+]([O-])c1ccc(N=NCc2cccn2-c2ccc(Cl)cc2)nc1 ZINC000004083812 210116630 /nfs/dbraw/zinc/11/66/30/210116630.db2.gz UKZYCVMOGLDKDW-YBFXNURJSA-N 0 0 341.758 3.880 50 30 EHEARN C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000003465853 210047847 /nfs/dbraw/zinc/04/78/47/210047847.db2.gz VIXLWXGDMIWGEI-JTQLQIEISA-N 0 0 343.358 3.668 50 30 EHEARN N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccccc1Cl ZINC000103504356 219309132 /nfs/dbraw/zinc/30/91/32/219309132.db2.gz KAFJSDYBYKBZDC-NSHDSACASA-N 0 0 333.174 3.955 50 30 EHEARN CN(CCC#N)C(=O)C[C@]1(Cc2ccccc2)CCOC(C)(C)C1 ZINC000002281335 209836638 /nfs/dbraw/zinc/83/66/38/209836638.db2.gz XREQCJVSPSAAIS-HXUWFJFHSA-N 0 0 328.456 3.567 50 30 EHEARN Cc1cccc(C(=O)N(CC2CC2)c2cc(Cl)ccc2C#N)n1 ZINC000069324350 215377381 /nfs/dbraw/zinc/37/73/81/215377381.db2.gz MLKBXRCKNQFSGV-UHFFFAOYSA-N 0 0 325.799 3.972 50 30 EHEARN C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1CCCCC1 ZINC000001855595 209800173 /nfs/dbraw/zinc/80/01/73/209800173.db2.gz GXTBHFVSSYGNSY-UHFFFAOYSA-N 0 0 333.428 3.673 50 30 EHEARN Cc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000040157937 213275644 /nfs/dbraw/zinc/27/56/44/213275644.db2.gz KSBCLYSHQZGBEQ-FMIVXFBMSA-N 0 0 348.362 3.688 50 30 EHEARN C[C@H](NC(=O)COc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000069590251 215488798 /nfs/dbraw/zinc/48/87/98/215488798.db2.gz LTACAHDRWRYJDJ-LBPRGKRZSA-N 0 0 343.452 3.568 50 30 EHEARN Cn1cc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)cn1 ZINC000071419152 215771227 /nfs/dbraw/zinc/77/12/27/215771227.db2.gz LKCLZKZKOKNYKT-UHFFFAOYSA-N 0 0 344.205 3.910 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc([C@H]3CCCCO3)s1)COCC2 ZINC000071776925 215825925 /nfs/dbraw/zinc/82/59/25/215825925.db2.gz MXVZXTULBBFHOE-CQSZACIVSA-N 0 0 341.436 3.578 50 30 EHEARN COc1ccc(C(=O)CSc2nc(C)cc(C)c2C#N)cc1OC ZINC000000051094 209390308 /nfs/dbraw/zinc/39/03/08/209390308.db2.gz NCUYANKHFQPXFB-UHFFFAOYSA-N 0 0 342.420 3.562 50 30 EHEARN CN1C(C)(C)[C@H]2N(c3cccc4ccccc43)C(=O)ON2C1(C)C ZINC000023633923 212386239 /nfs/dbraw/zinc/38/62/39/212386239.db2.gz HMCWTCVHTVRQCT-INIZCTEOSA-N 0 0 325.412 3.800 50 30 EHEARN N#Cc1cccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000075127339 216567684 /nfs/dbraw/zinc/56/76/84/216567684.db2.gz QVVXJPRDESMMLD-HXUWFJFHSA-N 0 0 342.402 3.542 50 30 EHEARN N#Cc1ccccc1-c1ccc(Cn2cnc3ccccc3c2=O)cc1 ZINC000022414950 212295197 /nfs/dbraw/zinc/29/51/97/212295197.db2.gz FRYPDGLJECOQEH-UHFFFAOYSA-N 0 0 337.382 3.983 50 30 EHEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2cccc(O)c2)CC(=O)O3)C1=O ZINC000217773647 241274618 /nfs/dbraw/zinc/27/46/18/241274618.db2.gz SMOJIALNUSVURF-CQSZACIVSA-N 0 0 336.343 3.702 50 30 biogenic EHEARN N#Cc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1 ZINC000225760396 242022871 /nfs/dbraw/zinc/02/28/71/242022871.db2.gz GCJZYZJWDDWFCL-UHFFFAOYSA-N 0 0 347.443 3.931 50 30 EHEARN N#Cc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c1 ZINC000021106085 212207199 /nfs/dbraw/zinc/20/71/99/212207199.db2.gz JHWWTZLGHJLUSW-GOSISDBHSA-N 0 0 346.415 3.781 50 30 EHEARN O=C1CCCCC1=CNc1ccc(I)cc1 ZINC000018323515 211994945 /nfs/dbraw/zinc/99/49/45/211994945.db2.gz ITNBRPSDWNVSLV-MDZDMXLPSA-N 0 0 327.165 3.730 50 30 EHEARN CN(C(=O)c1cccc(C#N)c1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000078979316 217162273 /nfs/dbraw/zinc/16/22/73/217162273.db2.gz AMOOKYXHMTTZQB-HXUWFJFHSA-N 0 0 345.377 3.954 50 30 EHEARN Cc1oc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c(C#N)c1C ZINC000014709097 211755204 /nfs/dbraw/zinc/75/52/04/211755204.db2.gz VIGQOGQWSQXCLI-UHFFFAOYSA-N 0 0 349.793 3.631 50 30 EHEARN CC(C)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000012360009 211355552 /nfs/dbraw/zinc/35/55/52/211355552.db2.gz LCFVJGUPQDGYKZ-BGYRXZFFSA-N 0 0 340.419 3.568 50 30 biogenic,in-man EHEARN O=C1CCCC2=C1[C@@H](c1c(Cl)cccc1Cl)n1ncnc1N2 ZINC000012348207 211353768 /nfs/dbraw/zinc/35/37/68/211353768.db2.gz ZNYJUINOLRKDLL-CQSZACIVSA-N 0 0 335.194 3.607 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2cccc(Cl)c2)C1 ZINC000012323378 211348133 /nfs/dbraw/zinc/34/81/33/211348133.db2.gz DUSRGYVNWBXYGU-AWEZNQCLSA-N 0 0 344.802 3.945 50 30 EHEARN C=CCC(=O)N1CCC2(C[C@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000012217189 211321920 /nfs/dbraw/zinc/32/19/20/211321920.db2.gz FZKMNNLGUOSAJE-INIZCTEOSA-N 0 0 344.480 3.552 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCC(c2nccn2CC2CCC2)CC1 ZINC000091877227 218083185 /nfs/dbraw/zinc/08/31/85/218083185.db2.gz HTFNUZDKWZFXGK-UHFFFAOYSA-N 0 0 348.450 3.575 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000010267082 211158621 /nfs/dbraw/zinc/15/86/21/211158621.db2.gz SBNDGPBUIVOQIN-LSDHHAIUSA-N 0 0 339.464 3.928 50 30 EHEARN Cn1cc(/C=C2/Oc3cc(OCC#N)ccc3C2=O)c2ccccc21 ZINC000008993551 211030303 /nfs/dbraw/zinc/03/03/03/211030303.db2.gz PHDIDLCYTYIRQG-VXLYETTFSA-N 0 0 330.343 3.697 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-n2ccnc2)cc1 ZINC000008778556 211006685 /nfs/dbraw/zinc/00/66/85/211006685.db2.gz YIZPJCCQFPZYEZ-LJQANCHMSA-N 0 0 330.391 3.625 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1c2ccccc2C[C@H]1C ZINC000008876386 211014280 /nfs/dbraw/zinc/01/42/80/211014280.db2.gz SJJFNUIFRKPZCR-CYBMUJFWSA-N 0 0 331.375 3.842 50 30 EHEARN N#C[C@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1Cl ZINC000095439529 218383075 /nfs/dbraw/zinc/38/30/75/218383075.db2.gz PXGMCCOZEKUFRJ-JSGCOSHPSA-N 0 0 347.827 3.643 50 30 EHEARN C#Cc1cc(F)c(NC(=O)NCCc2ccc(Cl)cc2)c(F)c1 ZINC000095446363 218391300 /nfs/dbraw/zinc/39/13/00/218391300.db2.gz JUALQLVAXYPRRO-UHFFFAOYSA-N 0 0 334.753 3.964 50 30 EHEARN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000095990509 218497463 /nfs/dbraw/zinc/49/74/63/218497463.db2.gz YCZBFUZIMYNHPT-AWEZNQCLSA-N 0 0 347.418 3.691 50 30 EHEARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C#N)n2CC)cc1 ZINC000006986223 210751394 /nfs/dbraw/zinc/75/13/94/210751394.db2.gz QMCNQVGZGGQQTQ-ZDUSSCGKSA-N 0 0 329.473 3.815 50 30 EHEARN COC(=O)/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000006626081 210665323 /nfs/dbraw/zinc/66/53/23/210665323.db2.gz ZPSGVSOKCIKALB-RTFHHYCWSA-N 0 0 338.388 3.511 50 30 EHEARN N#C[C@H](NC(=O)/C=C\c1ccncc1)c1cccc(Cl)c1Cl ZINC000096297448 218741209 /nfs/dbraw/zinc/74/12/09/218741209.db2.gz IXRSPHPUYNZTAX-WSNITJDQSA-N 0 0 332.190 3.783 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccc(Cl)cc2Br)nc1 ZINC000153313112 224086698 /nfs/dbraw/zinc/08/66/98/224086698.db2.gz BHCPVJGZJQQYCL-UHFFFAOYSA-N 0 0 336.576 3.621 50 30 EHEARN CO/N=C\c1ccc(Sc2ccccc2C(=O)OC)c([N+](=O)[O-])c1 ZINC000005743004 210528528 /nfs/dbraw/zinc/52/85/28/210528528.db2.gz APSUDIYXLGIAEO-YVLHZVERSA-N 0 0 346.364 3.513 50 30 EHEARN COc1ccccc1[C@@H](C#N)NC(=O)c1cc(C)c(F)cc1Cl ZINC000096470249 218849027 /nfs/dbraw/zinc/84/90/27/218849027.db2.gz QYMZYVSZTDVSKS-OAHLLOKOSA-N 0 0 332.762 3.791 50 30 EHEARN N#CC1(NC(=O)COc2ccc(Cl)cc2Cl)CCCCC1 ZINC000005109519 210392072 /nfs/dbraw/zinc/39/20/72/210392072.db2.gz WUIQUCLIHFTGLI-UHFFFAOYSA-N 0 0 327.211 3.715 50 30 EHEARN C=CCOc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000005065659 210381899 /nfs/dbraw/zinc/38/18/99/210381899.db2.gz FRJHPIFDTSKHQA-UHFFFAOYSA-N 0 0 341.436 3.964 50 30 EHEARN O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004916082 210323190 /nfs/dbraw/zinc/32/31/90/210323190.db2.gz JQUPOGNEFQBMFQ-TZMCWYRMSA-N 0 0 341.407 3.892 50 30 EHEARN Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1ccccc1 ZINC000004940572 210331668 /nfs/dbraw/zinc/33/16/68/210331668.db2.gz DQPGWPPJDSLOGV-SPIFRSATSA-N 0 0 337.448 3.849 50 30 EHEARN CCOc1ccc(/C=C/c2nc(C#N)c(NCCCOC)o2)cc1 ZINC000004855607 210301823 /nfs/dbraw/zinc/30/18/23/210301823.db2.gz NMFUOAQVORNKSO-JXMROGBWSA-N 0 0 327.384 3.564 50 30 EHEARN C=CCN(CC=C)C(=O)CSc1nc(C)c(Cl)c(C)c1C#N ZINC000004754006 210270837 /nfs/dbraw/zinc/27/08/37/210270837.db2.gz CHBHOAWQROPXEN-UHFFFAOYSA-N 0 0 335.860 3.516 50 30 EHEARN C=CCN(CC=C)Cc1nnc(-c2ccccc2Br)o1 ZINC000052868378 258015509 /nfs/dbraw/zinc/01/55/09/258015509.db2.gz DPNNVSDDOFVYHF-UHFFFAOYSA-N 0 0 334.217 3.673 50 30 EHEARN C=CCn1c2ccccc2n(CC(=O)C23CC4CC(CC(C4)C2)C3)c1=N ZINC000019642948 258016454 /nfs/dbraw/zinc/01/64/54/258016454.db2.gz ATDAHNKRNWSWIT-UHFFFAOYSA-N 0 0 349.478 3.894 50 30 EHEARN C=CCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccc1OC ZINC000014398526 258017123 /nfs/dbraw/zinc/01/71/23/258017123.db2.gz XLUDMQHLIRWHFX-UHFFFAOYSA-N 0 0 327.380 3.693 50 30 EHEARN C=CCSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1 ZINC000013021970 258017545 /nfs/dbraw/zinc/01/75/45/258017545.db2.gz VAIWRJIRKHDWQH-ZDUSSCGKSA-N 0 0 340.452 3.884 50 30 EHEARN Cc1c(C#N)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc1C(=O)OC(C)C ZINC000000996390 258048988 /nfs/dbraw/zinc/04/89/88/258048988.db2.gz OVHNDZQFKGKEPT-YNEHKIRRSA-N 0 0 346.452 3.868 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)s1 ZINC000006138386 258051756 /nfs/dbraw/zinc/05/17/56/258051756.db2.gz YLDPWKTWEGPRPP-KRWDZBQOSA-N 0 0 331.437 3.588 50 30 EHEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccnc1 ZINC000019923572 258056979 /nfs/dbraw/zinc/05/69/79/258056979.db2.gz OFWBFMOWZCTFAA-RHSMWYFYSA-N 0 0 330.428 3.582 50 30 EHEARN N#CCSCC(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032946373 258058728 /nfs/dbraw/zinc/05/87/28/258058728.db2.gz KXYJOOXVWKAARX-LJQANCHMSA-N 0 0 336.416 3.895 50 30 EHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(F)c1 ZINC000035324590 258059325 /nfs/dbraw/zinc/05/93/25/258059325.db2.gz HXYNMVMCEAQBTC-VMPITWQZSA-N 0 0 346.354 3.756 50 30 EHEARN COc1ccc2cc([C@H]3CN(c4ncccc4C#N)CCO3)ccc2c1 ZINC000071613755 132814565 /nfs/dbraw/zinc/81/45/65/132814565.db2.gz GRIFWMUKQCSFEF-HXUWFJFHSA-N 0 0 345.402 3.693 50 30 EHEARN Cc1ccc(C)c(CN2c3cc(C#N)ccc3N3CCC[C@H]3C2=O)c1 ZINC000001386692 135654936 /nfs/dbraw/zinc/65/49/36/135654936.db2.gz DUXLYNDCONOMPI-IBGZPJMESA-N 0 0 331.419 3.691 50 30 EHEARN CCc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000069325364 262532727 /nfs/dbraw/zinc/53/27/27/262532727.db2.gz UBDRPSDVAKIEMD-UHFFFAOYSA-N 0 0 349.434 3.915 50 30 EHEARN COc1ccc(CNc2cc(-c3ccccc3C)nn2C)cc1C#N ZINC000153375539 533705289 /nfs/dbraw/zinc/70/52/89/533705289.db2.gz PRAICHRKEHKDIU-UHFFFAOYSA-N 0 0 332.407 3.888 50 30 EHEARN C=C(C)COc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1 ZINC000055575527 518616587 /nfs/dbraw/zinc/61/65/87/518616587.db2.gz XASWPIXBMMOFEI-UHFFFAOYSA-N 0 0 339.391 3.642 50 30 EHEARN C=CCN(C(=O)Cc1ccc(NC(=O)CCC)cc1)C1CCCC1 ZINC000055412984 518733710 /nfs/dbraw/zinc/73/37/10/518733710.db2.gz YPGOKAFOUXSKPT-UHFFFAOYSA-N 0 0 328.456 3.925 50 30 EHEARN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(=O)c2ccccc2o1 ZINC000055891244 518782931 /nfs/dbraw/zinc/78/29/31/518782931.db2.gz HUVQUKSMKRCISD-UHFFFAOYSA-N 0 0 349.386 3.630 50 30 EHEARN C=CCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000006513820 518897923 /nfs/dbraw/zinc/89/79/23/518897923.db2.gz LDJUXGDDBKJYLC-UHFFFAOYSA-N 0 0 341.461 3.753 50 30 EHEARN C=CCNc1ccccc1C(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000055109074 518961647 /nfs/dbraw/zinc/96/16/47/518961647.db2.gz DPMDGDJGGAQFPQ-SFHVURJKSA-N 0 0 349.478 3.883 50 30 EHEARN C=CCSc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 ZINC000016750129 519087045 /nfs/dbraw/zinc/08/70/45/519087045.db2.gz USBDAHABKQZXDT-UHFFFAOYSA-N 0 0 349.481 3.957 50 30 EHEARN C=CCn1cnn(CN(C)[C@@H](C)c2nc3ccccc3s2)c1=S ZINC000024013400 519284236 /nfs/dbraw/zinc/28/42/36/519284236.db2.gz VNXCGTYXFIECTN-LBPRGKRZSA-N 0 0 345.497 3.860 50 30 EHEARN CCOc1cc(CN=Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1O ZINC000004108268 520642185 /nfs/dbraw/zinc/64/21/85/520642185.db2.gz QIBDIOYCKAGXGA-RQZCQDPDSA-N 0 0 335.747 3.799 50 30 EHEARN CN(CCC#N)C(=O)C[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000003903491 522671803 /nfs/dbraw/zinc/67/18/03/522671803.db2.gz FYTDBGAILXKZQZ-MOPGFXCFSA-N 0 0 342.483 3.813 50 30 EHEARN COC(=O)C1=C(C)NC(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000004095443 522872140 /nfs/dbraw/zinc/87/21/40/522872140.db2.gz BUIUQKXSDSSNSK-NTEUORMPSA-N 0 0 343.766 3.560 50 30 EHEARN COc1ccc(C(=O)C(C#N)=NNc2cccc(Cl)c2C)cc1 ZINC000000353339 523535851 /nfs/dbraw/zinc/53/58/51/523535851.db2.gz OAESVUUZJIRQOP-LTGZKZEYSA-N 0 0 327.771 3.831 50 30 EHEARN COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)cc2OC)cc1F ZINC000096861777 523543438 /nfs/dbraw/zinc/54/34/38/523543438.db2.gz AXPKANPCUOUDEK-ALCCZGGFSA-N 0 0 346.354 3.756 50 30 EHEARN CN(C(=O)CNc1cccc(C(F)(F)F)c1)C1(C#N)CCCCC1 ZINC000052635210 523828384 /nfs/dbraw/zinc/82/83/84/523828384.db2.gz NCUVERFVWLLRAC-UHFFFAOYSA-N 0 0 339.361 3.802 50 30 EHEARN CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCOC1 ZINC000106943287 523886376 /nfs/dbraw/zinc/88/63/76/523886376.db2.gz SCOAQCMTDCDTQD-INIZCTEOSA-N 0 0 337.379 3.603 50 30 EHEARN COc1ccc(NC(=O)[C@H](C)Nc2ccc(CC#N)cc2)cc1Cl ZINC000012542399 524606669 /nfs/dbraw/zinc/60/66/69/524606669.db2.gz BZYPVDJVYCLNSX-LBPRGKRZSA-N 0 0 343.814 3.854 50 30 EHEARN C[C@@H](c1nnc(SCCCC#N)n1-c1ccc(Cl)cc1)N(C)C ZINC000044865596 526186918 /nfs/dbraw/zinc/18/69/18/526186918.db2.gz ODIOCKRVFUKYMR-LBPRGKRZSA-N 0 0 349.891 3.939 50 30 EHEARN Cc1cc(C(=O)N(CCC#N)Cc2cccnc2)c2ccc(F)cc2n1 ZINC000069457764 526231233 /nfs/dbraw/zinc/23/12/33/526231233.db2.gz DJQWNAUJBIVRRO-UHFFFAOYSA-N 0 0 348.381 3.633 50 30 EHEARN N#CCCSc1ccccc1NC(=O)COc1ccc(F)cc1 ZINC000095953539 526463619 /nfs/dbraw/zinc/46/36/19/526463619.db2.gz SNSORQWDWCKFBJ-UHFFFAOYSA-N 0 0 330.384 3.849 50 30 EHEARN CC(C)n1nccc1NC(=O)[C@@H](C)SCc1ccc(F)cc1C#N ZINC000193643279 535152811 /nfs/dbraw/zinc/15/28/11/535152811.db2.gz DKNHCHLUQLQSLA-GFCCVEGCSA-N 0 0 346.431 3.735 50 30 EHEARN CC(=O)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000002312658 563428992 /nfs/dbraw/zinc/42/89/92/563428992.db2.gz GGHSBSJPCDNOLP-UHFFFAOYSA-N 0 0 331.187 3.661 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000000195065 563257681 /nfs/dbraw/zinc/25/76/81/563257681.db2.gz SHSSGEPOJXCVPN-GOSISDBHSA-N 0 0 339.435 3.772 50 30 EHEARN COc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(C)=O ZINC000000288414 563273423 /nfs/dbraw/zinc/27/34/23/563273423.db2.gz AYFADKYSBGJPNV-GIJQJNRQSA-N 0 0 348.742 3.933 50 30 EHEARN O=[N+]([O-])c1cccc(/C=N/NC(=S)Nc2cccc(Cl)c2)c1 ZINC000000731273 563362731 /nfs/dbraw/zinc/36/27/31/563362731.db2.gz BBZJKLFUFSJOOL-CXUHLZMHSA-N 0 0 334.788 3.569 50 30 EHEARN CCOC(=O)C1(C#N)[C@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1 ZINC000002518863 563438346 /nfs/dbraw/zinc/43/83/46/563438346.db2.gz QRYPXLQVHZQIEK-PMACEKPBSA-N 0 0 347.414 3.990 50 30 EHEARN O=C(O/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000005750078 563549153 /nfs/dbraw/zinc/54/91/53/563549153.db2.gz RBZIURDKTZTKST-OCKHKDLRSA-N 0 0 338.241 3.805 50 30 EHEARN CO/N=C(/C)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000006492838 563569916 /nfs/dbraw/zinc/56/99/16/563569916.db2.gz OPBFYSZROHITQM-STZFKDTASA-N 0 0 334.375 3.581 50 30 EHEARN C=CC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000071909250 563572589 /nfs/dbraw/zinc/57/25/89/563572589.db2.gz BNGYRVGYCYXKAX-KRWDZBQOSA-N 0 0 339.395 3.616 50 30 EHEARN COc1ccc(OC)c(/C=C\C(=O)c2cc(OC)c(C)cc2OC)c1 ZINC000097414784 563633648 /nfs/dbraw/zinc/63/36/48/563633648.db2.gz GCZHOCNMJNGOAL-VURMDHGXSA-N 0 0 342.391 3.926 50 30 EHEARN CCO/N=C(/C)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O ZINC000013120513 563688533 /nfs/dbraw/zinc/68/85/33/563688533.db2.gz MXOMUMOMHJRQRL-MOSHPQCFSA-N 0 0 328.412 3.601 50 30 EHEARN Cc1ccc(-n2c(S[C@H](C)C#N)nc3ccccc3c2=O)cc1F ZINC000014135761 563743614 /nfs/dbraw/zinc/74/36/14/563743614.db2.gz KIXQLHZXDJBEMQ-GFCCVEGCSA-N 0 0 339.395 3.837 50 30 EHEARN Cc1ccc(-n2c(S[C@@H](C)C#N)nc3ccccc3c2=O)cc1F ZINC000014135762 563743635 /nfs/dbraw/zinc/74/36/35/563743635.db2.gz KIXQLHZXDJBEMQ-LBPRGKRZSA-N 0 0 339.395 3.837 50 30 EHEARN COC(=O)c1c(NC(=O)CC#N)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000017070493 563832722 /nfs/dbraw/zinc/83/27/22/563832722.db2.gz MIFBVPJYTRWOFS-JTQLQIEISA-N 0 0 334.441 3.538 50 30 EHEARN N#Cc1c(N)nc(-c2ccc(OC(F)F)cc2)cc1-c1cccnc1 ZINC000071404135 563933823 /nfs/dbraw/zinc/93/38/23/563933823.db2.gz OGLZTPBQKBBVOD-UHFFFAOYSA-N 0 0 338.317 3.866 50 30 EHEARN CC(=O)Nc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1F ZINC000058194128 563939469 /nfs/dbraw/zinc/93/94/69/563939469.db2.gz NMWDIRXJUDZRCO-OAHLLOKOSA-N 0 0 347.349 3.822 50 30 EHEARN CCc1nc(C)ncc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000096410939 563950685 /nfs/dbraw/zinc/95/06/85/563950685.db2.gz WYYKXAPRONIDSA-UHFFFAOYSA-N 0 0 349.419 3.595 50 30 EHEARN N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1C#N ZINC000156847036 563961295 /nfs/dbraw/zinc/96/12/95/563961295.db2.gz OLRCWWXVLHEQPC-UHFFFAOYSA-N 0 0 333.244 3.840 50 30 EHEARN Cc1cc(C#N)ccc1-c1ccc(C(=O)N(C)CC2(CO)CCC2)cc1 ZINC000584896639 563967524 /nfs/dbraw/zinc/96/75/24/563967524.db2.gz WQERSBBSHWWDSW-UHFFFAOYSA-N 0 0 348.446 3.768 50 30 EHEARN Cc1oc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c(C#N)c1C ZINC000097000590 563970963 /nfs/dbraw/zinc/97/09/63/563970963.db2.gz JGAJMKVKHKQSKK-UHFFFAOYSA-N 0 0 341.386 3.510 50 30 EHEARN C[C@@H](C#N)Sc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000014166755 563983371 /nfs/dbraw/zinc/98/33/71/563983371.db2.gz HRCMGOCGGGSEKC-QMMMGPOBSA-N 0 0 333.463 3.728 50 30 EHEARN N#Cc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c(F)c1 ZINC000220969909 563989023 /nfs/dbraw/zinc/98/90/23/563989023.db2.gz NGNFLQWHEKPSGN-UHFFFAOYSA-N 0 0 348.333 3.646 50 30 EHEARN COC(=O)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 ZINC000000315372 563990992 /nfs/dbraw/zinc/99/09/92/563990992.db2.gz RFJRLDAEMNYQIX-MHWRWJLKSA-N 0 0 326.373 3.568 50 30 EHEARN C/N=C1/S/C(=C/c2cc(Cl)cc(Cl)c2OC)C(=O)N1C ZINC000100288495 563992086 /nfs/dbraw/zinc/99/20/86/563992086.db2.gz YDUSZWJBDLGIRD-NXIQSRHRSA-N 0 0 331.224 3.534 50 30 EHEARN Cc1ccc(N(CCC#N)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000408512820 563992714 /nfs/dbraw/zinc/99/27/14/563992714.db2.gz FHFPWQGIOLHNMS-UHFFFAOYSA-N 0 0 327.315 3.603 50 30 EHEARN N#Cc1cccc(OCCCCC(=O)NCc2noc3ccccc23)c1 ZINC000408515236 563992989 /nfs/dbraw/zinc/99/29/89/563992989.db2.gz MOVZJCYSKJQWHI-UHFFFAOYSA-N 0 0 349.390 3.565 50 30 EHEARN CCC(CC)c1nc(C#N)c(C#N)nc1-c1ccc(OC)c(OC)c1 ZINC000000387551 563993574 /nfs/dbraw/zinc/99/35/74/563993574.db2.gz CDCYXWLPYADNDP-UHFFFAOYSA-N 0 0 336.395 3.808 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1OC ZINC000000428090 563998850 /nfs/dbraw/zinc/99/88/50/563998850.db2.gz CYMZGBHTMRBKGS-KXBFYZLASA-N 0 0 340.375 3.608 50 30 EHEARN N#Cc1ccc(CSc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000005248933 564001464 /nfs/dbraw/zinc/00/14/64/564001464.db2.gz PDJSYKXPDYVIGE-UHFFFAOYSA-N 0 0 345.225 3.884 50 30 EHEARN CC[C@@](C)(C#CCN1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000061997644 564002632 /nfs/dbraw/zinc/00/26/32/564002632.db2.gz KBFGKQRTONEQHI-PMACEKPBSA-N 0 0 325.456 3.711 50 30 biogenic EHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)n1 ZINC000005642977 564006923 /nfs/dbraw/zinc/00/69/23/564006923.db2.gz LYFUSGYVLBBNRP-LLVKDONJSA-N 0 0 346.843 3.738 50 30 EHEARN N#CCSCC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000120305722 564013137 /nfs/dbraw/zinc/01/31/37/564013137.db2.gz RKCUBOIIKWHXRO-JSGCOSHPSA-N 0 0 342.386 3.714 50 30 EHEARN CC(C)c1ccc2c(c1)C(=NN=c1[nH]c3ccccc3s1)C(=O)N2 ZINC000006390545 564013912 /nfs/dbraw/zinc/01/39/12/564013912.db2.gz DLXGAXVSEXLWEG-UHFFFAOYSA-N 0 0 336.420 3.610 50 30 EHEARN N#Cc1c2c(sc1NC=C1C(=O)c3ccccc3C1=O)CCCC2 ZINC000101427889 564019428 /nfs/dbraw/zinc/01/94/28/564019428.db2.gz LVCLIGWFOQBDKA-UHFFFAOYSA-N 0 0 334.400 3.874 50 30 EHEARN Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(C)n1-c1ccccn1 ZINC000102879671 564020903 /nfs/dbraw/zinc/02/09/03/564020903.db2.gz WNWFMEMWUWMHFJ-UHFFFAOYSA-N 0 0 334.354 3.752 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1C ZINC000000522721 564021122 /nfs/dbraw/zinc/02/11/22/564021122.db2.gz GSMXLEQUQRDFEP-QGZVFWFLSA-N 0 0 325.339 3.623 50 30 EHEARN C[C@H]1CN(c2oc(-c3cccc4ccccc43)nc2C#N)C[C@H](C)O1 ZINC000000539376 564022297 /nfs/dbraw/zinc/02/22/97/564022297.db2.gz OEVKTJCATGAADL-KBPBESRZSA-N 0 0 333.391 3.980 50 30 EHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)cc(C)c1 ZINC000103504676 564022607 /nfs/dbraw/zinc/02/26/07/564022607.db2.gz GNVMRRCEYQSPSF-MRXNPFEDSA-N 0 0 336.391 3.663 50 30 EHEARN COc1ccccc1CC(C)=CC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000104181115 564023756 /nfs/dbraw/zinc/02/37/56/564023756.db2.gz JVBHPLVHBGJYDV-LMRWQKIVSA-N 0 0 326.421 3.825 50 30 EHEARN C#CCN(Cc1nnc(-c2ccccc2)o1)[C@@H]1CCc2ccccc21 ZINC000047405998 564026248 /nfs/dbraw/zinc/02/62/48/564026248.db2.gz JVSDOIXNQBEEAB-LJQANCHMSA-N 0 0 329.403 3.859 50 30 EHEARN N#Cc1c(Cl)nsc1NCc1cnn(Cc2ccccc2)c1 ZINC000044976272 564027982 /nfs/dbraw/zinc/02/79/82/564027982.db2.gz NDSMKWYOHUUAAO-UHFFFAOYSA-N 0 0 329.816 3.525 50 30 EHEARN Cc1ccc(NC(=NC(=O)c2ccccc2)NCc2ccncc2)cc1 ZINC000045939999 564028910 /nfs/dbraw/zinc/02/89/10/564028910.db2.gz HUJPIYZFTQJXHD-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN CCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 ZINC000000303462 564033561 /nfs/dbraw/zinc/03/35/61/564033561.db2.gz QRCSLMLTJMAMLT-UHFFFAOYSA-N 0 0 325.437 3.863 50 30 EHEARN COc1cccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)c1 ZINC000005789629 564052159 /nfs/dbraw/zinc/05/21/59/564052159.db2.gz RNPVAPMNMVXZMW-ZDLGFXPLSA-N 0 0 338.359 3.873 50 30 biogenic EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000015079911 564053293 /nfs/dbraw/zinc/05/32/93/564053293.db2.gz RBRUBHMAHWFRCB-LLVKDONJSA-N 0 0 334.297 3.983 50 30 EHEARN C#CC[C@H](CC(F)(F)F)NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000521394787 564056193 /nfs/dbraw/zinc/05/61/93/564056193.db2.gz DOIJTIRJTWCNHI-LLVKDONJSA-N 0 0 342.748 3.824 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](C)CCCC(C)C)n1 ZINC000019139398 564059069 /nfs/dbraw/zinc/05/90/69/564059069.db2.gz JTDHVFYAEBDZPP-CQSZACIVSA-N 0 0 333.501 3.993 50 30 EHEARN C=C1C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000254827066 564064473 /nfs/dbraw/zinc/06/44/73/564064473.db2.gz VRABBYPHXSPLAT-QXDZREBPSA-N 0 0 344.495 3.796 50 30 EHEARN CC(C)c1ccc(CN(C)S(=O)(=O)Cc2ccccc2C#N)cc1 ZINC000012739887 564065020 /nfs/dbraw/zinc/06/50/20/564065020.db2.gz BWLTWUXFHJDNGT-UHFFFAOYSA-N 0 0 342.464 3.643 50 30 EHEARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCC#Cc1ccccc1 ZINC000058415509 564065296 /nfs/dbraw/zinc/06/52/96/564065296.db2.gz GVBXJYBKCLRJEC-GOSISDBHSA-N 0 0 336.435 3.952 50 30 EHEARN CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000084297657 564067701 /nfs/dbraw/zinc/06/77/01/564067701.db2.gz WAROTNPHPHIOSO-UHFFFAOYSA-N 0 0 348.450 3.885 50 30 EHEARN C=CCOc1ccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1 ZINC000084637516 564069237 /nfs/dbraw/zinc/06/92/37/564069237.db2.gz FFLIGMMWAVTHMK-OAQYLSRUSA-N 0 0 334.419 3.896 50 30 EHEARN C=C(C)Cn1c(=O)c2c([n-]c1=S)sc1c2C[C@@](C)(CC)OC1 ZINC000001253794 564074674 /nfs/dbraw/zinc/07/46/74/564074674.db2.gz SKTGCYOHIAWVCY-MRXNPFEDSA-N 0 0 336.482 3.938 50 30 EHEARN CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@H]([Si](C)(C)C)CC[C@@]2(C)C1=O ZINC000169834265 564076404 /nfs/dbraw/zinc/07/64/04/564076404.db2.gz CFIXTLLOVQQGOX-BVGQSLNGSA-N 0 0 340.536 3.870 50 30 EHEARN O=C(/C=C/NNC(=S)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000075284520 564081503 /nfs/dbraw/zinc/08/15/03/564081503.db2.gz ZSBJKUCNAZCABE-ZHACJKMWSA-N 0 0 331.828 3.528 50 30 EHEARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COc1ccc(C#N)cc1 ZINC000012986174 564085787 /nfs/dbraw/zinc/08/57/87/564085787.db2.gz HSGWXSOFXQDBDY-UHFFFAOYSA-N 0 0 338.451 3.612 50 30 EHEARN N#Cc1ccc(CNC(=O)N[C@@H](c2ccco2)c2ccccc2)c(F)c1 ZINC000075584463 564089695 /nfs/dbraw/zinc/08/96/95/564089695.db2.gz WVTSSAISTGSKOO-LJQANCHMSA-N 0 0 349.365 3.879 50 30 EHEARN COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)NC(=O)[C@H]2C#N)cc1 ZINC000006732599 564096640 /nfs/dbraw/zinc/09/66/40/564096640.db2.gz HDJNAOOUCODKIU-SJORKVTESA-N 0 0 338.794 3.743 50 30 EHEARN C[C@@H](CC(=O)N[C@]1(C#N)CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000066316897 564100688 /nfs/dbraw/zinc/10/06/88/564100688.db2.gz LWUPGVQISZGWTR-NHYWBVRUSA-N 0 0 342.386 3.714 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000065593092 564108018 /nfs/dbraw/zinc/10/80/18/564108018.db2.gz NBOACUIDGCQXIZ-UHFFFAOYSA-N 0 0 349.390 3.810 50 30 EHEARN CCCc1nc(C)c(C(=O)Nc2ncccc2OCCCC#N)s1 ZINC000065592486 564108023 /nfs/dbraw/zinc/10/80/23/564108023.db2.gz AABIYIUKGMRYNL-UHFFFAOYSA-N 0 0 344.440 3.734 50 30 EHEARN Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1cccs1 ZINC000013596500 564111830 /nfs/dbraw/zinc/11/18/30/564111830.db2.gz NCUVUOHCFBNBKV-UWWFKIDJSA-N 0 0 343.477 3.911 50 30 EHEARN C[C@@H]1C[C@H](C)CN(c2oc(COc3ccccc3F)nc2C#N)C1 ZINC000016809923 564113523 /nfs/dbraw/zinc/11/35/23/564113523.db2.gz MSHPAAOTXACUNM-BETUJISGSA-N 0 0 329.375 3.747 50 30 EHEARN COc1ccc(-c2cc(N(C)Cc3cc(C#N)ccc3F)n[nH]2)cc1 ZINC000170637237 564117379 /nfs/dbraw/zinc/11/73/79/564117379.db2.gz XIFREMLMJHZQDQ-UHFFFAOYSA-N 0 0 336.370 3.732 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(C)cc1 ZINC000006697499 564117436 /nfs/dbraw/zinc/11/74/36/564117436.db2.gz DTCKIYZCRORADH-UHFFFAOYSA-N 0 0 347.418 3.802 50 30 EHEARN CC(=NNC(=S)NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000252627649 564123394 /nfs/dbraw/zinc/12/33/94/564123394.db2.gz RYQXMEFZDSMLIB-UHFFFAOYSA-N 0 0 331.872 3.771 50 30 EHEARN N#Cc1ccc(OCC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000007890526 564124470 /nfs/dbraw/zinc/12/44/70/564124470.db2.gz CHOCGHBCWRXEHP-HXUWFJFHSA-N 0 0 348.427 3.904 50 30 EHEARN C(=NN1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12 ZINC000002955657 564128923 /nfs/dbraw/zinc/12/89/23/564128923.db2.gz RIRNOMXXURRKDY-UHFFFAOYSA-N 0 0 329.447 3.992 50 30 EHEARN Cc1ccn2c(cc(-c3ccc(Cl)cc3)c2/C=N\NC(N)=S)c1 ZINC000027546757 564132095 /nfs/dbraw/zinc/13/20/95/564132095.db2.gz PFICQAKNROMYEN-JMIUGGIZSA-N 0 0 342.855 3.735 50 30 EHEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H]5O[C@@]5(O)[C@@]4(C)CC[C@H]32)C1 ZINC000253500043 564132801 /nfs/dbraw/zinc/13/28/01/564132801.db2.gz VDWPXFJLZWNCAR-GBKBKVFGSA-N 0 0 346.467 3.578 50 30 biogenic EHEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000000453661 564133291 /nfs/dbraw/zinc/13/32/91/564133291.db2.gz LGXUWLBTYQVAMI-UHFFFAOYSA-N 0 0 326.421 3.825 50 30 EHEARN COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1C ZINC000000615008 564133491 /nfs/dbraw/zinc/13/34/91/564133491.db2.gz QNMIPFPEALARED-UHFFFAOYSA-N 0 0 336.420 3.655 50 30 EHEARN N#Cc1cccc(CNc2nnc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000225431460 564134661 /nfs/dbraw/zinc/13/46/61/564134661.db2.gz SLOMHJFCLKUEQG-UHFFFAOYSA-N 0 0 342.305 3.822 50 30 EHEARN O=C(CN1CCNC(=O)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000082093385 564135552 /nfs/dbraw/zinc/13/55/52/564135552.db2.gz RAODHPULUUYXDT-UHFFFAOYSA-N 0 0 336.606 3.507 50 30 EHEARN C[C@@H](NC(=O)C1(C#N)CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000095440209 564140506 /nfs/dbraw/zinc/14/05/06/564140506.db2.gz KKYFOXNFBNSIHU-MRXNPFEDSA-N 0 0 336.439 3.583 50 30 EHEARN N#CCCSc1ccccc1NC[C@@H](O)COc1ccccc1F ZINC000095944781 564142126 /nfs/dbraw/zinc/14/21/26/564142126.db2.gz WUBHCMMLDRSKDM-CQSZACIVSA-N 0 0 346.427 3.683 50 30 EHEARN CC(C)n1cnnc1C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000095994766 564144190 /nfs/dbraw/zinc/14/41/90/564144190.db2.gz XNRPBSXZWPJBDS-UHFFFAOYSA-N 0 0 329.835 3.768 50 30 EHEARN N#Cc1ccc(SCC(=O)NCc2ccco2)cc1C(F)(F)F ZINC000095997466 564144314 /nfs/dbraw/zinc/14/43/14/564144314.db2.gz QFQHPBRYNPLQPB-UHFFFAOYSA-N 0 0 340.326 3.579 50 30 EHEARN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(F)c(C#N)c2)no1 ZINC000095999778 564144364 /nfs/dbraw/zinc/14/43/64/564144364.db2.gz WADASNFHXUDCMF-HNNXBMFYSA-N 0 0 343.362 3.538 50 30 EHEARN C[C@@]1(C(=O)Nc2cccc(C#N)c2)CC(c2ccccc2Cl)=NO1 ZINC000096192929 564145959 /nfs/dbraw/zinc/14/59/59/564145959.db2.gz GZHKWRVKCNHHDE-SFHVURJKSA-N 0 0 339.782 3.733 50 30 EHEARN COc1ccc(Br)c(C(=O)OCc2ccccc2C#N)c1 ZINC000002632168 564151486 /nfs/dbraw/zinc/15/14/86/564151486.db2.gz DPULJLPQRGDJAF-UHFFFAOYSA-N 0 0 346.180 3.686 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000002662612 564152042 /nfs/dbraw/zinc/15/20/42/564152042.db2.gz GTKMDDKQAYPVPZ-WEVVVXLNSA-N 0 0 344.317 3.820 50 30 EHEARN N#CCSc1nc2ccccc2c(Nc2ccc3c(c2)OCO3)n1 ZINC000002948905 564153164 /nfs/dbraw/zinc/15/31/64/564153164.db2.gz VACVUWMDFGQCIU-UHFFFAOYSA-N 0 0 336.376 3.718 50 30 EHEARN N#Cc1ccc(NCC2(c3ccc(Cl)cc3)CCOCC2)nc1 ZINC000057148732 564153316 /nfs/dbraw/zinc/15/33/16/564153316.db2.gz UHCMWLSMSSWQJH-UHFFFAOYSA-N 0 0 327.815 3.767 50 30 EHEARN N#Cc1ccc(F)c(CSc2nnc(Cc3ccccc3)o2)c1 ZINC000029872046 564154456 /nfs/dbraw/zinc/15/44/56/564154456.db2.gz DNFSNJCUYFIQMH-UHFFFAOYSA-N 0 0 325.368 3.963 50 30 EHEARN CO/N=C1/c2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000003063825 564154914 /nfs/dbraw/zinc/15/49/14/564154914.db2.gz MMAGTPBFUDAEFG-CYVLTUHYSA-N 0 0 335.190 3.891 50 30 EHEARN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(C#N)c1 ZINC000030314190 564155907 /nfs/dbraw/zinc/15/59/07/564155907.db2.gz SOCOCPNTJZAZOX-UHFFFAOYSA-N 0 0 334.297 3.729 50 30 EHEARN COc1ccc(-n2c3ccccc3nc2CN2CCC(C#N)CC2)cc1 ZINC000057876032 564156302 /nfs/dbraw/zinc/15/63/02/564156302.db2.gz LSWSENFDGNKDFG-UHFFFAOYSA-N 0 0 346.434 3.770 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)c([N+](=O)[O-])c1)CO2 ZINC000058192304 564158017 /nfs/dbraw/zinc/15/80/17/564158017.db2.gz GLHGTCWEDQVJIU-QPEQYQDCSA-N 0 0 325.320 3.571 50 30 EHEARN Cc1nn(C)c(C)c1/C=C1\CCC/C(=C/c2c(C)nn(C)c2C)C1=O ZINC000008656660 564166211 /nfs/dbraw/zinc/16/62/11/564166211.db2.gz YXGRBFUIUGRTAP-VRNBXGKJSA-N 0 0 338.455 3.607 50 30 EHEARN COc1ccc(C(=O)COc2ccc(C#N)cc2)cc1Br ZINC000008708698 564166595 /nfs/dbraw/zinc/16/65/95/564166595.db2.gz HELOFDORZNWULE-UHFFFAOYSA-N 0 0 346.180 3.591 50 30 EHEARN CN(C(=O)c1ccc(C#N)cc1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000069528418 564170199 /nfs/dbraw/zinc/17/01/99/564170199.db2.gz NQZZCIDBVOHJKJ-HXUWFJFHSA-N 0 0 345.377 3.954 50 30 EHEARN C#CCOc1cccc([C@@H](C)NC(=O)c2c(C)noc2C(C)C)c1 ZINC000069705692 564171673 /nfs/dbraw/zinc/17/16/73/564171673.db2.gz RUMGADZXYZOBLQ-CYBMUJFWSA-N 0 0 326.396 3.609 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069737771 564171803 /nfs/dbraw/zinc/17/18/03/564171803.db2.gz PJMIQPJBBJQNAW-ZIAGYGMSSA-N 0 0 339.361 3.693 50 30 EHEARN C=CCSCC(=O)N[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000069772569 564172053 /nfs/dbraw/zinc/17/20/53/564172053.db2.gz YGTHYJJSMDHGSC-LJQANCHMSA-N 0 0 338.432 3.953 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)Cc1c(F)cccc1Cl ZINC000069848797 564172525 /nfs/dbraw/zinc/17/25/25/564172525.db2.gz CTGJKQTZYOQJPO-UHFFFAOYSA-N 0 0 347.777 3.738 50 30 EHEARN CC[C@H](C)N(Cc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000069969970 564172965 /nfs/dbraw/zinc/17/29/65/564172965.db2.gz ZPXKEFFOJFQRNW-HNNXBMFYSA-N 0 0 346.434 3.595 50 30 EHEARN N#C[C@@H](C(=O)c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1 ZINC000041501623 564173934 /nfs/dbraw/zinc/17/39/34/564173934.db2.gz CAEMIJXXVNZZLR-ZDUSSCGKSA-N 0 0 347.399 3.671 50 30 EHEARN CCc1ccccc1N/N=C1/Oc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000101033357 1017051294 /nfs/dbraw/zinc/05/12/94/1017051294.db2.gz FVBSWCZETCPOTO-LSDHQDQOSA-N 0 0 348.358 3.665 50 30 biogenic EHEARN CC1=C(C(=O)C=Cc2cccc(C(F)(F)F)c2)[C@@H](C)N2NN=NC2=N1 ZINC000328589734 1017953218 /nfs/dbraw/zinc/95/32/18/1017953218.db2.gz KOZPRPMPACDOCX-VQCYPWCPSA-N 0 0 349.316 3.507 50 30 EHEARN CC(=O)O/N=C(\CCc1ccccc1)C1(OC(C)=O)CCCCC1 ZINC000022340812 1020315856 /nfs/dbraw/zinc/31/58/56/1020315856.db2.gz AMZWCCRUMXRGDX-CZIZESTLSA-N 0 0 331.412 3.804 50 30 EHEARN O=C(/C=C\c1ccccc1)N=C1N=C2C=CC=CN2Cc2ccccc21 ZINC000254825523 1035509823 /nfs/dbraw/zinc/50/98/23/1035509823.db2.gz KKWSTLJSUMQGIU-AXKQSQTJSA-N 0 0 339.398 3.971 50 30 EHEARN COc1cc(Br)c(/C=C/C(=O)c2ccc(C)o2)cc1O ZINC000014196907 1038640682 /nfs/dbraw/zinc/64/06/82/1038640682.db2.gz PANCALSKNPPOAL-SNAWJCMRSA-N 0 0 337.169 3.961 50 30 EHEARN COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCC(C)(C#N)CC1 ZINC000330811899 1040865481 /nfs/dbraw/zinc/86/54/81/1040865481.db2.gz NCOWVFDUWHTFRG-CQSZACIVSA-N 0 0 340.345 3.545 50 30 EHEARN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1OCCc2ccccc21 ZINC000333412011 1041726468 /nfs/dbraw/zinc/72/64/68/1041726468.db2.gz DIFALOMMRLJXFI-NJDAHSKKSA-N 0 0 346.430 3.599 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)N=N1 ZINC000888096258 1043239385 /nfs/dbraw/zinc/23/93/85/1043239385.db2.gz PNJVJRIDCXLHCL-OAHLLOKOSA-N 0 0 343.402 3.900 50 30 EHEARN C=C(C)COc1ccccc1NC(=O)c1cccc(OC)c1OC ZINC000824798170 1131219637 /nfs/dbraw/zinc/21/96/37/1131219637.db2.gz FECNJPBEQWATLR-UHFFFAOYSA-N 0 0 327.380 3.911 50 30 EHEARN C#CCCC1(CCC(=O)NC2(Cc3cccc(F)c3)CCC2)N=N1 ZINC000952879334 1137483293 /nfs/dbraw/zinc/48/32/93/1137483293.db2.gz DEQRSVWGXDILHZ-UHFFFAOYSA-N 0 0 327.403 3.763 50 30 EHEARN C#CCCC1(CCC(=O)N2CCc3cccc(C(F)(F)F)c3C2)N=N1 ZINC000952880895 1137483483 /nfs/dbraw/zinc/48/34/83/1137483483.db2.gz MPSVOFMZPQUIPJ-UHFFFAOYSA-N 0 0 349.356 3.946 50 30 EHEARN C=C(C)COc1ccc(NC(=O)CCCn2nc(C)cc2C)cc1 ZINC000952961696 1137483624 /nfs/dbraw/zinc/48/36/24/1137483624.db2.gz USSGSHKLOCUZKB-UHFFFAOYSA-N 0 0 327.428 3.874 50 30 EHEARN CCCCCCCCCCCC(=O)NCCCC[C@H]([NH3+])C(=O)[O-] ZINC000028539127 1137866849 /nfs/dbraw/zinc/86/68/49/1137866849.db2.gz GYDYJUYZBRGMCC-INIZCTEOSA-N 0 0 328.497 3.606 50 30 EHEARN Brc1cc(C=NNc2ccccn2)oc1Br ZINC000004738494 210264480 /nfs/dbraw/zinc/26/44/80/210264480.db2.gz XDRPOZSTMIDEDN-MKMNVTDBSA-N 0 0 344.994 3.646 50 30 EHEARN CCOc1ccc(C(=O)C=CNc2ccc(C(=O)OC)cc2)cc1 ZINC000051318818 214088450 /nfs/dbraw/zinc/08/84/50/214088450.db2.gz MTXNWOPIJAFGFQ-OUKQBFOZSA-N 0 0 325.364 3.680 50 30 EHEARN C=CCOc1ccccc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000055292060 214303195 /nfs/dbraw/zinc/30/31/95/214303195.db2.gz XFFXAUNZZMZTTH-UHFFFAOYSA-N 0 0 326.415 3.713 50 30 EHEARN O=C(/C=C\c1c(Cl)nc2sccn12)OCC#Cc1ccccc1 ZINC000056231986 214366448 /nfs/dbraw/zinc/36/64/48/214366448.db2.gz GRMCEOLTDFEHMU-HJWRWDBZSA-N 0 0 342.807 3.657 50 30 EHEARN COCCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000004658871 210239991 /nfs/dbraw/zinc/23/99/91/210239991.db2.gz IINMOWDGYRHBEL-DCBMACRLSA-N 0 0 338.432 3.937 50 30 EHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2-n2cccn2)cc1 ZINC000058200780 214500712 /nfs/dbraw/zinc/50/07/12/214500712.db2.gz JFFLSXHDQLXYCD-FMIVXFBMSA-N 0 0 331.375 3.727 50 30 EHEARN C[C@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc32)NC1=O ZINC000004567452 210223360 /nfs/dbraw/zinc/22/33/60/210223360.db2.gz WFFWYBSBNIEHHX-ZICWZVMQSA-N 0 0 333.416 3.934 50 30 EHEARN CC(C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004488892 210202315 /nfs/dbraw/zinc/20/23/15/210202315.db2.gz RILBIOCKNKZCKA-OAHLLOKOSA-N 0 0 327.424 3.721 50 30 EHEARN COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000004488857 210202329 /nfs/dbraw/zinc/20/23/29/210202329.db2.gz SIXZGJYVERESOO-NSHDSACASA-N 0 0 333.815 3.595 50 30 EHEARN O=C1CS/C(=N\N=C/c2ccc(Cl)cc2)N1c1ccccc1 ZINC000004474896 210196622 /nfs/dbraw/zinc/19/66/22/210196622.db2.gz RKLRPFNWXLBCHE-WHMWJKGLSA-N 0 0 329.812 3.810 50 30 EHEARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1C#N ZINC000004109055 210121740 /nfs/dbraw/zinc/12/17/40/210121740.db2.gz XMNYWZGHGGSACF-UHFFFAOYSA-N 0 0 336.782 3.958 50 30 EHEARN Nc1[nH]nc(-c2ccccc2)c1N=Nc1ccc(Cl)cc1Cl ZINC000003767646 210075898 /nfs/dbraw/zinc/07/58/98/210075898.db2.gz XILRDWDDGOUBEJ-UHFFFAOYSA-N 0 0 332.194 3.746 50 30 EHEARN CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1Cl ZINC000003586784 210059409 /nfs/dbraw/zinc/05/94/09/210059409.db2.gz XKQCKJXPQQUTFS-UHFFFAOYSA-N 0 0 348.233 3.936 50 30 EHEARN COc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccccc2)cc1 ZINC000003399890 210028155 /nfs/dbraw/zinc/02/81/55/210028155.db2.gz XKDFVFNRTGGNFM-ZDUSSCGKSA-N 0 0 336.420 3.947 50 30 EHEARN N#Cc1ccccc1CSc1nnc(Cc2cccc(F)c2)o1 ZINC000067754144 215202724 /nfs/dbraw/zinc/20/27/24/215202724.db2.gz RRZONRZYJJSNNU-UHFFFAOYSA-N 0 0 325.368 3.963 50 30 EHEARN CCCCCCCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000002734255 209897645 /nfs/dbraw/zinc/89/76/45/209897645.db2.gz AWYQFXKQLBLVQP-UHFFFAOYSA-N 0 0 335.400 3.559 50 30 EHEARN Cc1c2ccccc2sc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000103717541 219321334 /nfs/dbraw/zinc/32/13/34/219321334.db2.gz VUYHBGCBEXCBSX-ZDUSSCGKSA-N 0 0 335.388 3.566 50 30 EHEARN CCc1c(C)sc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1C#N ZINC000068677656 215326358 /nfs/dbraw/zinc/32/63/58/215326358.db2.gz HRIYEMDIMJPRPG-CYBMUJFWSA-N 0 0 339.420 3.555 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000036874915 213124798 /nfs/dbraw/zinc/12/47/98/213124798.db2.gz DRLREVSELTUHIK-CQSZACIVSA-N 0 0 347.768 3.825 50 30 EHEARN CC(C)n1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)n1 ZINC000036701800 213111393 /nfs/dbraw/zinc/11/13/93/213111393.db2.gz ARLCKTIDFPJKGC-UHFFFAOYSA-N 0 0 337.408 3.711 50 30 EHEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2)o1 ZINC000036611320 213100900 /nfs/dbraw/zinc/10/09/00/213100900.db2.gz QUIRNZJOBVCMNG-WOJGMQOQSA-N 0 0 342.424 3.753 50 30 EHEARN C=C(Cl)CSc1nc2ccccc2c(=O)n1-c1cccnc1 ZINC000032945473 212879628 /nfs/dbraw/zinc/87/96/28/212879628.db2.gz FHXJVGPVZNQTGT-UHFFFAOYSA-N 0 0 329.812 3.625 50 30 EHEARN C[C@H](CC#N)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000072232578 216073375 /nfs/dbraw/zinc/07/33/75/216073375.db2.gz VQRMRORPNVHYSB-GFCCVEGCSA-N 0 0 330.382 3.836 50 30 EHEARN COc1ccc(-c2c3c(N)c(C#N)sc3nc(C)c2C(C)=O)cc1 ZINC000000347324 209544205 /nfs/dbraw/zinc/54/42/05/209544205.db2.gz POFJKJCIIADNQM-UHFFFAOYSA-N 0 0 337.404 3.937 50 30 EHEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccccc1F ZINC000000068820 209399579 /nfs/dbraw/zinc/39/95/79/209399579.db2.gz COMRSRKGPPSCJN-UHFFFAOYSA-N 0 0 327.322 3.619 50 30 EHEARN Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ccccn2)cc1 ZINC000028205830 212603207 /nfs/dbraw/zinc/60/32/07/212603207.db2.gz IDKNBTUGDDRTRH-HNNXBMFYSA-N 0 0 325.437 3.818 50 30 EHEARN CCN(C[C@@H](C)C#N)C(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC000072564985 216275795 /nfs/dbraw/zinc/27/57/95/216275795.db2.gz ZYEOFFSGUGAHQD-HNNXBMFYSA-N 0 0 337.423 3.591 50 30 EHEARN C[C@@H](Oc1ccc(F)cc1)c1nnc(Sc2ccc(C#N)cn2)o1 ZINC000024833082 212442563 /nfs/dbraw/zinc/44/25/63/212442563.db2.gz IBFGZFDLRPDGQZ-SNVBAGLBSA-N 0 0 342.355 3.767 50 30 EHEARN CCOc1cccc(COC(=O)c2cccc(C#N)c2)c1OC(F)F ZINC000024830857 212441983 /nfs/dbraw/zinc/44/19/83/212441983.db2.gz FABRJUHVFDXEOX-UHFFFAOYSA-N 0 0 347.317 3.915 50 30 EHEARN COc1cccc(/C=C2\Oc3cc(O)ccc3C2=O)c1OC(F)F ZINC000022016519 212270357 /nfs/dbraw/zinc/27/03/57/212270357.db2.gz QPGOZADRXKIVGZ-AUWJEWJLSA-N 0 0 334.274 3.618 50 30 EHEARN C=C(C)CN(C)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC000225811828 242049164 /nfs/dbraw/zinc/04/91/64/242049164.db2.gz CYRKBTYSYJVVJS-UHFFFAOYSA-N 0 0 336.863 3.650 50 30 EHEARN C#CCOc1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000020808061 212174181 /nfs/dbraw/zinc/17/41/81/212174181.db2.gz JCNQJIUOPNLNNA-QGZVFWFLSA-N 0 0 343.386 3.563 50 30 EHEARN COc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019773335 212064782 /nfs/dbraw/zinc/06/47/82/212064782.db2.gz CKLUDUQRUWCLEL-KGENOOAVSA-N 0 0 343.858 3.500 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 ZINC000019535483 212038961 /nfs/dbraw/zinc/03/89/61/212038961.db2.gz URKQMXJOSCKYMA-SFHVURJKSA-N 0 0 343.398 3.745 50 30 EHEARN C/C(=N/N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019419380 212026790 /nfs/dbraw/zinc/02/67/90/212026790.db2.gz AKQYVLRLHYSPRV-PGMHBOJBSA-N 0 0 327.859 3.882 50 30 EHEARN C/C(=N\N=C(/C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000013463790 211561402 /nfs/dbraw/zinc/56/14/02/211561402.db2.gz WCXRLAGKRXMKSY-JYFOCSDGSA-N 0 0 326.312 3.736 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)CSC1=Nc2ccccc2CS1 ZINC000012745259 211442961 /nfs/dbraw/zinc/44/29/61/211442961.db2.gz QRNLPGOPVOKJNM-MRXNPFEDSA-N 0 0 333.482 3.709 50 30 EHEARN N#Cc1ccc(O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c(Cl)c1 ZINC000012482380 211391753 /nfs/dbraw/zinc/39/17/53/211391753.db2.gz FKKPPYQDSQBYAV-KRWDZBQOSA-N 0 0 344.773 3.749 50 30 EHEARN N#Cc1ccc(OCCOC(=O)c2cc(N)cc3ccccc32)cc1 ZINC000089873047 217867447 /nfs/dbraw/zinc/86/74/47/217867447.db2.gz NNALHXOWWXHJNS-UHFFFAOYSA-N 0 0 332.359 3.529 50 30 EHEARN N#Cc1cccc(NC(=O)CNc2ccc(Br)cc2F)c1 ZINC000011724705 211240208 /nfs/dbraw/zinc/24/02/08/211240208.db2.gz SCVDIOXEFNNRSR-UHFFFAOYSA-N 0 0 348.175 3.510 50 30 EHEARN COC(=O)c1sc(NC(=O)c2ccc(Cl)s2)c(C#N)c1C ZINC000009472659 211087096 /nfs/dbraw/zinc/08/70/96/211087096.db2.gz JBFKIBWGOCMTGR-UHFFFAOYSA-N 0 0 340.813 3.682 50 30 EHEARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)c1 ZINC000009328147 211070072 /nfs/dbraw/zinc/07/00/72/211070072.db2.gz FMMFSNJFEQMPEX-UHFFFAOYSA-N 0 0 348.431 3.637 50 30 EHEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccco3)C2)cc1 ZINC000009332005 211069735 /nfs/dbraw/zinc/06/97/35/211069735.db2.gz JORCBYHFMULZJL-LIRRHRJNSA-N 0 0 346.390 3.595 50 30 EHEARN C[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cccnc2)C1 ZINC000009013564 211032047 /nfs/dbraw/zinc/03/20/47/211032047.db2.gz KMBGWGWUZNJAPT-BLVKFPJESA-N 0 0 330.391 3.699 50 30 EHEARN COc1cccc(-c2nnc(SCc3cccc(C#N)c3)n2C)c1 ZINC000008943203 211020835 /nfs/dbraw/zinc/02/08/35/211020835.db2.gz SUBSOWNMVXVYKA-UHFFFAOYSA-N 0 0 336.420 3.655 50 30 EHEARN Cc1ccsc1-c1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000095401908 218336645 /nfs/dbraw/zinc/33/66/45/218336645.db2.gz TUBWAOJRNQYVTP-UHFFFAOYSA-N 0 0 343.368 3.581 50 30 EHEARN CC(C)Oc1ccc(NC(=O)NC[C@@H](C)C#N)cc1Br ZINC000095416159 218354669 /nfs/dbraw/zinc/35/46/69/218354669.db2.gz AURAHHQHJUYKMW-JTQLQIEISA-N 0 0 340.221 3.517 50 30 EHEARN COc1ccc(CNc2ccc(Cl)c(NC(C)=O)c2)cc1C#N ZINC000095447298 218391100 /nfs/dbraw/zinc/39/11/00/218391100.db2.gz IZLFPFUZGSZKEI-UHFFFAOYSA-N 0 0 329.787 3.791 50 30 EHEARN COCC[C@@H](Nc1cc(C#N)cc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000095465746 218404615 /nfs/dbraw/zinc/40/46/15/218404615.db2.gz WGXPJNKHDFYXPZ-CQSZACIVSA-N 0 0 329.356 3.866 50 30 EHEARN CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 ZINC000005866826 210551122 /nfs/dbraw/zinc/55/11/22/210551122.db2.gz BZIQVOLXMMRHFS-KRWDZBQOSA-N 0 0 338.432 3.919 50 30 EHEARN N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2ccccc2N2CCCC[C@@H]21 ZINC000005694265 210518945 /nfs/dbraw/zinc/51/89/45/210518945.db2.gz RSHQSURFWKZLSY-CTNGQTDRSA-N 0 0 328.419 3.939 50 30 EHEARN COc1ccc(OC)c(C(=O)/C=C\c2c(C)nc3sc(C)cn23)c1 ZINC000096930338 218901044 /nfs/dbraw/zinc/90/10/44/218901044.db2.gz ZBNZYWJAAGFFKL-SREVYHEPSA-N 0 0 342.420 3.926 50 30 EHEARN O=C1C[C@@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1 ZINC000004913001 210321473 /nfs/dbraw/zinc/32/14/73/210321473.db2.gz FSTFMMWEISZJDA-KRWDZBQOSA-N 0 0 347.414 3.876 50 30 EHEARN Fc1cccc(Cl)c1CN=Nc1nn2cnnc2c2ccccc21 ZINC000004897706 210316350 /nfs/dbraw/zinc/31/63/50/210316350.db2.gz IBUCKGXNJZBCMA-UFWORHAWSA-N 0 0 340.749 3.516 50 30 EHEARN COC(=O)c1ccccc1/N=C/[C@H](C)Cc1ccc2c(c1)OCO2 ZINC000004530953 257844989 /nfs/dbraw/zinc/84/49/89/257844989.db2.gz FMKWHJXRMHLTPO-AYPRBGQRSA-N 0 0 325.364 3.783 50 30 EHEARN CCn1c(S[C@@H](C)CCC#N)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000284233780 257936216 /nfs/dbraw/zinc/93/62/16/257936216.db2.gz NGUIBIBFYSTAIB-NSHDSACASA-N 0 0 331.401 3.658 50 30 EHEARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(c2cc(C#N)ncn2)C1 ZINC000408514543 257983890 /nfs/dbraw/zinc/98/38/90/257983890.db2.gz NVPTYEPTZWLXRL-HNNXBMFYSA-N 0 0 346.438 3.663 50 30 EHEARN O=C(Nc1cc(C(F)(F)F)ccn1)c1n[nH]nc1-c1ccccc1 ZINC000330032713 258002131 /nfs/dbraw/zinc/00/21/31/258002131.db2.gz RKPMPFYWXZDZQM-UHFFFAOYSA-N 0 0 333.273 3.522 50 30 EHEARN Cc1noc(C2CC2)c1NC(=O)NCc1nc2cc(C)ccc2n1C ZINC000330032264 258002509 /nfs/dbraw/zinc/00/25/09/258002509.db2.gz KGRCGDACLFZMED-UHFFFAOYSA-N 0 0 339.399 3.582 50 30 EHEARN C=CCN(CC#Cc1ccccc1)Cc1cccn1-c1cccnc1 ZINC000055071320 258014947 /nfs/dbraw/zinc/01/49/47/258014947.db2.gz HOCNZFCPSCUYTK-UHFFFAOYSA-N 0 0 327.431 3.912 50 30 EHEARN C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(C)=O)cc1 ZINC000012218884 258017049 /nfs/dbraw/zinc/01/70/49/258017049.db2.gz AQLJBKZAVWHXFW-UHFFFAOYSA-N 0 0 330.815 3.762 50 30 EHEARN Cc1c(Cl)cccc1NC1=Nn2c(nnc2C(F)(F)F)SC1 ZINC000027028802 258057876 /nfs/dbraw/zinc/05/78/76/258057876.db2.gz YQOGRNFTEXAGRL-UHFFFAOYSA-N 0 0 347.753 3.638 50 30 EHEARN CCc1sc(C(=O)Nc2ncccc2OCCCC#N)cc1C ZINC000069664198 258063760 /nfs/dbraw/zinc/06/37/60/258063760.db2.gz LLHCQEWWMVUSKO-UHFFFAOYSA-N 0 0 329.425 3.949 50 30 EHEARN NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681813 258067301 /nfs/dbraw/zinc/06/73/01/258067301.db2.gz RWJCANHSJXNRDM-UHFFFAOYSA-N 0 0 349.090 3.684 50 30 EHEARN C#CCn1c2ccccc2nc1SCCOc1cccc(OC)c1 ZINC000011667412 518344794 /nfs/dbraw/zinc/34/47/94/518344794.db2.gz HDIGAPTWSZBNDO-UHFFFAOYSA-N 0 0 338.432 3.849 50 30 EHEARN C=CCN(Cc1ccccc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000024499912 518783479 /nfs/dbraw/zinc/78/34/79/518783479.db2.gz UQHBAQBZAYPRFO-IBGZPJMESA-N 0 0 348.446 3.792 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1cccc2c1OCO2 ZINC000055413635 518799031 /nfs/dbraw/zinc/79/90/31/518799031.db2.gz HQVGBXZKKVDRFA-UHFFFAOYSA-N 0 0 349.390 3.654 50 30 EHEARN C=CCNC(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000010467882 518909478 /nfs/dbraw/zinc/90/94/78/518909478.db2.gz OZUWNPNBNCWPKX-OAHLLOKOSA-N 0 0 325.437 3.847 50 30 EHEARN C=CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)cc2)c(OC)c1 ZINC000014255011 519140979 /nfs/dbraw/zinc/14/09/79/519140979.db2.gz HQSXTMFUZQILIM-AWEZNQCLSA-N 0 0 341.407 3.838 50 30 EHEARN CCCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000001788581 520020325 /nfs/dbraw/zinc/02/03/25/520020325.db2.gz BKUHTUYBWFZMTL-UHFFFAOYSA-N 0 0 348.487 3.830 50 30 EHEARN CC/C(=N\N=C1/S[C@@H](C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000004754751 520179467 /nfs/dbraw/zinc/17/94/67/520179467.db2.gz IOQGCFQJRDDVBG-LRKLCTCQSA-N 0 0 341.436 3.914 50 30 EHEARN CCCOc1ccccc1/C=N/NC(=S)Nc1cccc(F)c1 ZINC000003131700 520471858 /nfs/dbraw/zinc/47/18/58/520471858.db2.gz HRENAEKAIWIPHJ-XDHOZWIPSA-N 0 0 331.416 3.935 50 30 EHEARN CCOc1ccc(-c2csc(N=NCc3ccc(O)cc3)n2)cc1 ZINC000033154763 520811814 /nfs/dbraw/zinc/81/18/14/520811814.db2.gz WVLUCOGATUFXSV-ODLFYWEKSA-N 0 0 339.420 3.782 50 30 EHEARN CN(c1ccccc1)c1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000042740225 523654050 /nfs/dbraw/zinc/65/40/50/523654050.db2.gz XTGWDHZABKKMOL-NRFANRHFSA-N 0 0 348.450 3.675 50 30 EHEARN COc1ccc(OC)c(NC(=O)N(CCC#N)C2CCCCC2)c1 ZINC000001753441 524856590 /nfs/dbraw/zinc/85/65/90/524856590.db2.gz AHXYDCOFDJVFBC-UHFFFAOYSA-N 0 0 331.416 3.784 50 30 EHEARN C[C@H](C#N)Sc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000003374378 525923522 /nfs/dbraw/zinc/92/35/22/525923522.db2.gz XDEGFOBJWGHGGZ-SNVBAGLBSA-N 0 0 334.832 3.850 50 30 EHEARN C=CCOc1cc(NC(C)=O)c(Br)cc1Br ZINC000170611063 526823453 /nfs/dbraw/zinc/82/34/53/526823453.db2.gz OJZQDGFKRWYKNA-UHFFFAOYSA-N 0 0 349.022 3.735 50 30 EHEARN O=C(C/C=N/OCc1nnsc1Cl)c1sccc1Cl ZINC000005522049 527671028 /nfs/dbraw/zinc/67/10/28/527671028.db2.gz SISQPWRSPHUKBX-QLKAYGNNSA-N 0 0 336.225 3.682 50 30 EHEARN N#CCc1cc(OC(F)F)c(Br)cc1Br ZINC000263625250 564056485 /nfs/dbraw/zinc/05/64/85/564056485.db2.gz YBFGRADTFCYDSR-UHFFFAOYSA-N 0 0 340.949 3.879 50 30 EHEARN COc1ccc(/C=N/OC(=O)c2cccs2)c(Cl)c1OC ZINC000000132869 563239164 /nfs/dbraw/zinc/23/91/64/563239164.db2.gz HSSBTTIIJAFMCZ-LZYBPNLTSA-N 0 0 325.773 3.610 50 30 EHEARN COc1ccc(OC)c(C=NOC(=O)Nc2ccc(Cl)cc2)c1 ZINC000000205647 563259769 /nfs/dbraw/zinc/25/97/69/563259769.db2.gz VWDPEPZHZKKLFZ-VCHYOVAHSA-N 0 0 334.759 3.940 50 30 EHEARN COc1ccccc1/C=N/n1c(=O)c2ccccc2nc1-c1ccco1 ZINC000000349428 563288663 /nfs/dbraw/zinc/28/86/63/563288663.db2.gz MRLYRZZAPBDVSY-FYJGNVAPSA-N 0 0 345.358 3.547 50 30 EHEARN C(=N/n1cnnc1)\c1cccc(OCc2cccc3ccccc32)c1 ZINC000000459796 563325957 /nfs/dbraw/zinc/32/59/57/563325957.db2.gz GSOWDWMJMUVVAS-FSJBWODESA-N 0 0 328.375 3.893 50 30 EHEARN Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000000587935 563352206 /nfs/dbraw/zinc/35/22/06/563352206.db2.gz QJDMDYGGAXZLMF-HMMYKYKNSA-N 0 0 342.464 3.920 50 30 EHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 ZINC000002055297 563420178 /nfs/dbraw/zinc/42/01/78/563420178.db2.gz HEOHYTKTTBLFJW-GOSISDBHSA-N 0 0 341.382 3.523 50 30 EHEARN C=CCc1cccc(/C=N/NC(=S)Nc2ccc(F)cc2)c1O ZINC000002506361 563434938 /nfs/dbraw/zinc/43/49/38/563434938.db2.gz SWAKVMNIDZQRPN-YBFXNURJSA-N 0 0 329.400 3.580 50 30 EHEARN N#Cc1cccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1 ZINC000071916159 563620703 /nfs/dbraw/zinc/62/07/03/563620703.db2.gz WPGFHNNUFLLMFW-MRXNPFEDSA-N 0 0 339.370 3.541 50 30 EHEARN C=CCNC(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000071920108 563624016 /nfs/dbraw/zinc/62/40/16/563624016.db2.gz GAQXVAWOASSGCF-UHFFFAOYSA-N 0 0 343.814 3.924 50 30 EHEARN CN(CCC#N)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000032682351 563682336 /nfs/dbraw/zinc/68/23/36/563682336.db2.gz QCQOIDUVOOYMLI-GOSISDBHSA-N 0 0 346.515 3.986 50 30 EHEARN CCOc1ccc(/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 ZINC000013902904 563729215 /nfs/dbraw/zinc/72/92/15/563729215.db2.gz SPAVOUPIQVPGEV-UHFFFAOYSA-N 0 0 345.196 3.921 50 30 EHEARN Cc1cc(N[C@H](C)C(=O)Nc2ccccc2C#N)ccc1N1CCCC1 ZINC000032853720 563763136 /nfs/dbraw/zinc/76/31/36/563763136.db2.gz CCKZPTCPAYJZQC-MRXNPFEDSA-N 0 0 348.450 3.906 50 30 EHEARN COc1ccc(SCCC(=O)OCc2ccc(C#N)cc2F)cc1 ZINC000032860366 563764938 /nfs/dbraw/zinc/76/49/38/563764938.db2.gz XBTXGNSAMWBTJD-UHFFFAOYSA-N 0 0 345.395 3.932 50 30 EHEARN CCOc1ccc(N/N=C2\Sc3nc4ccccc4n3C2=O)cc1 ZINC000015083395 563777182 /nfs/dbraw/zinc/77/71/82/563777182.db2.gz QVHLGXDQIRRHII-HKWRFOASSA-N 0 0 338.392 3.607 50 30 EHEARN N#CCC(=O)Nc1nnc(SCc2cccc3ccccc32)s1 ZINC000016742026 563822151 /nfs/dbraw/zinc/82/21/51/563822151.db2.gz QLGPCSJZTOSARW-UHFFFAOYSA-N 0 0 340.433 3.836 50 30 EHEARN COc1ccc([C@@H]2c3c(C)[nH]nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017945180 563846109 /nfs/dbraw/zinc/84/61/09/563846109.db2.gz WEUWOYRGEJPEHL-QGZVFWFLSA-N 0 0 337.423 3.927 50 30 EHEARN CC(C)Oc1ccc(CC[C@H](C)NC(=O)N2CCC(C#N)CC2)cc1 ZINC000058203250 563939802 /nfs/dbraw/zinc/93/98/02/563939802.db2.gz KSHSSKVSDLWSMU-INIZCTEOSA-N 0 0 343.471 3.740 50 30 EHEARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000058265752 563941191 /nfs/dbraw/zinc/94/11/91/563941191.db2.gz CQOKQRVPBUIXLN-SNVBAGLBSA-N 0 0 343.774 3.576 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000058268043 563941239 /nfs/dbraw/zinc/94/12/39/563941239.db2.gz OJEQYHWPDKQOKO-CYBMUJFWSA-N 0 0 345.830 3.936 50 30 EHEARN Cc1cccc(Oc2ncccc2NC(=O)c2cccc[n+]2[O-])c1C ZINC000058417364 563945503 /nfs/dbraw/zinc/94/55/03/563945503.db2.gz VJXPAOOEKWSTTD-UHFFFAOYSA-N 0 0 335.363 3.760 50 30 EHEARN N#Cc1cnn2c1N[C@H](C13CC4CC(CC(C4)C1)C3)C[C@@H]2C(F)F ZINC000013959441 563970588 /nfs/dbraw/zinc/97/05/88/563970588.db2.gz SJPDWOBGRWLIFY-SICHDFFRSA-N 0 0 332.398 3.962 50 30 EHEARN CCCCCCCNC(=O)CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000098045233 563971714 /nfs/dbraw/zinc/97/17/14/563971714.db2.gz GRNGUPHEHASGAD-SFHVURJKSA-N 0 0 346.515 3.991 50 30 EHEARN CC(C)[C@@H](Nc1ncnc2c1cnn2CCC#N)c1ccc(F)cc1 ZINC000097200123 563973247 /nfs/dbraw/zinc/97/32/47/563973247.db2.gz VETXHTDRNVOHHV-MRXNPFEDSA-N 0 0 338.390 3.688 50 30 EHEARN CN1C(=O)/C(=C/C(=O)c2cccc(Br)c2)c2ccccc21 ZINC000033309324 563973515 /nfs/dbraw/zinc/97/35/15/563973515.db2.gz UWLCFJDCVLYKRM-GXDHUFHOSA-N 0 0 342.192 3.692 50 30 EHEARN C[C@H]1C[C@H](C)CN(c2oc(COc3ccccc3F)nc2C#N)C1 ZINC000000108288 563986586 /nfs/dbraw/zinc/98/65/86/563986586.db2.gz MSHPAAOTXACUNM-STQMWFEESA-N 0 0 329.375 3.747 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000247992941 563994998 /nfs/dbraw/zinc/99/49/98/563994998.db2.gz LHHAOXPCVBTLRR-KWCYVHTRSA-N 0 0 340.345 3.697 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000000444976 563999614 /nfs/dbraw/zinc/99/96/14/563999614.db2.gz LELUAAHIYCHVGJ-INIZCTEOSA-N 0 0 331.437 3.668 50 30 EHEARN N#C[C@@H](NC(=O)[C@@H]1CSCCS1)c1cccc(Cl)c1Cl ZINC000177275046 564013791 /nfs/dbraw/zinc/01/37/91/564013791.db2.gz WISCNJUDBZRSEI-MNOVXSKESA-N 0 0 347.292 3.523 50 30 EHEARN CN(C)C(=O)c1ccc(Cl)c(NCc2cc(C#N)ccc2F)c1 ZINC000178370379 564016067 /nfs/dbraw/zinc/01/60/67/564016067.db2.gz YBMVKZDXMXZMCI-UHFFFAOYSA-N 0 0 331.778 3.665 50 30 EHEARN N#Cc1c(COc2ccc([N+](=O)[O-])cc2Cl)cn2ccccc12 ZINC000014775934 564018334 /nfs/dbraw/zinc/01/83/34/564018334.db2.gz YLXKNGVYJACNNY-UHFFFAOYSA-N 0 0 327.727 3.952 50 30 EHEARN O=C(C(=CNc1ccccc1F)C(=O)C(F)(F)F)c1ccco1 ZINC000102920806 564020941 /nfs/dbraw/zinc/02/09/41/564020941.db2.gz RTRFHMSHWLHWJJ-CMDGGOBGSA-N 0 0 327.233 3.729 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000000528418 564021364 /nfs/dbraw/zinc/02/13/64/564021364.db2.gz OAJQSOYIXXDKHZ-OAHLLOKOSA-N 0 0 347.418 3.751 50 30 EHEARN COc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1OC ZINC000000543305 564022515 /nfs/dbraw/zinc/02/25/15/564022515.db2.gz RSTPUMSZYMPYCJ-UHFFFAOYSA-N 0 0 349.390 3.885 50 30 EHEARN N#C[C@H](C(=O)CCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000103504400 564022616 /nfs/dbraw/zinc/02/26/16/564022616.db2.gz MCGGRRSFPLTSTO-CQSZACIVSA-N 0 0 326.783 3.620 50 30 EHEARN Cc1sc(NC(=S)NC(=O)c2ccc(F)cc2)c(C#N)c1C ZINC000000557862 564023162 /nfs/dbraw/zinc/02/31/62/564023162.db2.gz FKDKVFHJBHTXSD-UHFFFAOYSA-N 0 0 333.413 3.503 50 30 EHEARN CO/N=C(/CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000005719837 564023668 /nfs/dbraw/zinc/02/36/68/564023668.db2.gz DJPRXNWXQHJHSF-HKWRFOASSA-N 0 0 337.206 3.774 50 30 EHEARN Cc1ccnc2[nH]c([C@H](C#N)C(=O)C=Cc3cccc(Cl)c3)nc21 ZINC000104185511 564023764 /nfs/dbraw/zinc/02/37/64/564023764.db2.gz ZRRSRVGOFULGQS-GEXIGZQTSA-N 0 0 336.782 3.809 50 30 EHEARN CCOc1ccc(C(=O)C=CNc2cccc(C(=O)OC)c2)cc1 ZINC000051318814 564024499 /nfs/dbraw/zinc/02/44/99/564024499.db2.gz AFSYESHHNUUBET-VAWYXSNFSA-N 0 0 325.364 3.680 50 30 EHEARN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000109033984 564028626 /nfs/dbraw/zinc/02/86/26/564028626.db2.gz HYTMBMKVNRHTFC-HLLBOEOZSA-N 0 0 344.455 3.667 50 30 EHEARN Cc1ccc(NC(=NC(=O)c2ccccc2)NCc2cccnc2)cc1 ZINC000046127619 564029643 /nfs/dbraw/zinc/02/96/43/564029643.db2.gz DRDDWRRVEXUBHU-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN Cc1cc(C)cc(C2=N/C(=C/c3cccc(OCC#N)c3)C(=O)O2)c1 ZINC000048324463 564030961 /nfs/dbraw/zinc/03/09/61/564030961.db2.gz IFKJBZVYLXKCPT-LDADJPATSA-N 0 0 332.359 3.550 50 30 EHEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2=O)cc1 ZINC000005231527 564031791 /nfs/dbraw/zinc/03/17/91/564031791.db2.gz IMTKLRJYCWYBDW-IZZDOVSWSA-N 0 0 336.347 3.618 50 30 EHEARN COC[C@H]1CCCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000113570115 564032837 /nfs/dbraw/zinc/03/28/37/564032837.db2.gz ITXDUSGQRNASAI-GJZGRUSLSA-N 0 0 347.484 3.829 50 30 EHEARN N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(Cl)c2c1 ZINC000115925068 564051364 /nfs/dbraw/zinc/05/13/64/564051364.db2.gz HHCYQAFAIJYWFO-UHFFFAOYSA-N 0 0 346.770 3.732 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@@]12C ZINC000257356037 564055912 /nfs/dbraw/zinc/05/59/12/564055912.db2.gz FJOFXGFQXDZWJF-BEEMDKBVSA-N 0 0 330.468 3.647 50 30 EHEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005830284 564056584 /nfs/dbraw/zinc/05/65/84/564056584.db2.gz GFWMIRUVCMPQIT-LLVKDONJSA-N 0 0 334.297 3.983 50 30 EHEARN Cc1noc(C)c1CCC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000012553509 564059223 /nfs/dbraw/zinc/05/92/23/564059223.db2.gz SGXHJQXHAFRVOD-UHFFFAOYSA-N 0 0 345.402 3.658 50 30 EHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1csc([N+](=O)[O-])c1 ZINC000044412716 564060061 /nfs/dbraw/zinc/06/00/61/564060061.db2.gz QUZLRPWFBXFCNO-UHFFFAOYSA-N 0 0 349.371 3.703 50 30 EHEARN CCn1c2ccccc2nc1SCC(=O)Nc1ccc(C#N)cc1 ZINC000012581075 564060063 /nfs/dbraw/zinc/06/00/63/564060063.db2.gz JGBJDTMJSUWIPP-UHFFFAOYSA-N 0 0 336.420 3.659 50 30 EHEARN CCCn1ccnc1SCC(=O)Nc1c(C#N)oc2ccccc21 ZINC000015279280 564060363 /nfs/dbraw/zinc/06/03/63/564060363.db2.gz OLFJWOWYUAFPDW-UHFFFAOYSA-N 0 0 340.408 3.642 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000005447152 564062479 /nfs/dbraw/zinc/06/24/79/564062479.db2.gz LZNFDNXMPWZRRW-FPYGCLRLSA-N 0 0 327.727 3.772 50 30 EHEARN N#Cc1ccccc1[S@](=O)c1ccccc1C(=O)Nc1ccccc1 ZINC000001382463 564063933 /nfs/dbraw/zinc/06/39/33/564063933.db2.gz FOMBJAKYTFWOIR-RUZDIDTESA-N 0 0 346.411 3.977 50 30 EHEARN C=CCSCC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000058358054 564065250 /nfs/dbraw/zinc/06/52/50/564065250.db2.gz SDTYFRQZKJFBOF-UHFFFAOYSA-N 0 0 347.484 3.952 50 30 EHEARN CS(=O)(=O)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000005211166 564072405 /nfs/dbraw/zinc/07/24/05/564072405.db2.gz VEUSDGOAVOQQPU-NYYWCZLTSA-N 0 0 336.796 3.575 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(OCC)cc2OCC)SC1=S ZINC000000974907 564074639 /nfs/dbraw/zinc/07/46/39/564074639.db2.gz KLQXGWOYBMRXIF-XNTDXEJSSA-N 0 0 349.477 3.871 50 30 EHEARN C=CCN1C(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)SC1=S ZINC000001416037 564074688 /nfs/dbraw/zinc/07/46/88/564074688.db2.gz QHHHHHYCNPUZFY-CSNJMMPQSA-N 0 0 330.478 3.696 50 30 EHEARN C=CCOc1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1 ZINC000028403682 564079208 /nfs/dbraw/zinc/07/92/08/564079208.db2.gz GYHOXYUOHXGZHP-UHFFFAOYSA-N 0 0 333.391 3.749 50 30 EHEARN N#CC1(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CCCC1 ZINC000064033567 564083705 /nfs/dbraw/zinc/08/37/05/564083705.db2.gz SPUYCHRHXOYSLA-UHFFFAOYSA-N 0 0 345.446 3.815 50 30 EHEARN CC(C)CC(=O)Nc1ccc(C(=O)COc2cccc(C#N)c2)cc1 ZINC000006401200 564085544 /nfs/dbraw/zinc/08/55/44/564085544.db2.gz DQFUOTLODBRQSP-UHFFFAOYSA-N 0 0 336.391 3.805 50 30 EHEARN COc1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000238950388 564087987 /nfs/dbraw/zinc/08/79/87/564087987.db2.gz XTUYRHZGUBVRJJ-UHFFFAOYSA-N 0 0 343.858 3.500 50 30 EHEARN CCOC(=O)Nc1ccc(NC(=O)Cc2ccc(C)s2)cc1C#N ZINC000161098019 564093723 /nfs/dbraw/zinc/09/37/23/564093723.db2.gz ARWCAFOSKYMNQZ-UHFFFAOYSA-N 0 0 343.408 3.678 50 30 EHEARN CC(C)n1cnc2cc(CNC(=O)c3ccc(C#N)cc3F)ccc21 ZINC000064754989 564095889 /nfs/dbraw/zinc/09/58/89/564095889.db2.gz HNQBZARFEATXTO-UHFFFAOYSA-N 0 0 336.370 3.558 50 30 EHEARN CCOc1ccc(C(C)N=Nc2nn3cnnc3c3ccccc32)cc1 ZINC000006784011 564097609 /nfs/dbraw/zinc/09/76/09/564097609.db2.gz QTRDIBOKXFPMPU-FYJGNVAPSA-N 0 0 346.394 3.512 50 30 EHEARN C=CCn1c(C)nnc1SCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000006909698 564101192 /nfs/dbraw/zinc/10/11/92/564101192.db2.gz MLSUPARJLSZUOH-UHFFFAOYSA-N 0 0 341.436 3.788 50 30 EHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2NCC#N ZINC000524730135 564103718 /nfs/dbraw/zinc/10/37/18/564103718.db2.gz WWGMIWNOEKZCJH-FLFMNZAJSA-N 0 0 330.516 3.872 50 30 biogenic EHEARN N#Cc1cnc(NCc2ccnc(N3CCCCC3)c2)c(Cl)c1 ZINC000065537231 564107204 /nfs/dbraw/zinc/10/72/04/564107204.db2.gz DTSGCAPPJPQNJZ-UHFFFAOYSA-N 0 0 327.819 3.604 50 30 EHEARN CCc1cc(C#N)c(NC(=O)Cc2c(C)nn(C(F)F)c2C)s1 ZINC000065557075 564107563 /nfs/dbraw/zinc/10/75/63/564107563.db2.gz ISEXVWKVMCJESD-UHFFFAOYSA-N 0 0 338.383 3.572 50 30 EHEARN C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)COc1ccc(CC#N)cc1 ZINC000076020822 564114584 /nfs/dbraw/zinc/11/45/84/564114584.db2.gz HNJMKERXZPJQJC-RHSMWYFYSA-N 0 0 340.448 3.598 50 30 EHEARN CCN(C(=O)c1nc(C(C)C)ncc1Cl)c1ccc(C#N)cc1 ZINC000089969441 564115941 /nfs/dbraw/zinc/11/59/41/564115941.db2.gz UWPIXZJAMQBYTJ-UHFFFAOYSA-N 0 0 328.803 3.792 50 30 EHEARN COc1ccc(CNc2nnc(S[C@H](C)CCC#N)s2)cc1 ZINC000252490617 564119490 /nfs/dbraw/zinc/11/94/90/564119490.db2.gz KXXWRIVNSPCXND-LLVKDONJSA-N 0 0 334.470 3.943 50 30 EHEARN C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)c1cccc(C[S@@](C)=O)c1)C2(C)C ZINC000252505150 564119927 /nfs/dbraw/zinc/11/99/27/564119927.db2.gz VPSGBIFNFNXOCM-XPGVTRPJSA-N 0 0 332.465 3.713 50 30 EHEARN N#Cc1ccccc1Sc1ccc(C(=O)O[C@H]2CCOC2)cc1 ZINC000170652325 564120925 /nfs/dbraw/zinc/12/09/25/564120925.db2.gz BZUTVWFQEYRKPV-HNNXBMFYSA-N 0 0 325.389 3.655 50 30 EHEARN Cc1nc2ccccc2n1N=Cc1cc(Br)ccc1O ZINC000252625678 564123256 /nfs/dbraw/zinc/12/32/56/564123256.db2.gz QOXRZZXULVFLMG-UHFFFAOYSA-N 0 0 330.185 3.695 50 30 EHEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccccn3)n2)c1 ZINC000252625850 564123265 /nfs/dbraw/zinc/12/32/65/564123265.db2.gz QQIIECCQLAXVNP-UHFFFAOYSA-N 0 0 325.353 3.559 50 30 EHEARN N#CCCn1ccc(NC(=O)Nc2cccc(-c3nccs3)c2)n1 ZINC000195577421 564123921 /nfs/dbraw/zinc/12/39/21/564123921.db2.gz LQBYYOSVWHXJGX-UHFFFAOYSA-N 0 0 338.396 3.564 50 30 EHEARN COc1cccc(-c2noc(COc3ccc(C#N)cc3Cl)n2)c1 ZINC000007857146 564124271 /nfs/dbraw/zinc/12/42/71/564124271.db2.gz UYNPLXNAGOWDRM-UHFFFAOYSA-N 0 0 341.754 3.849 50 30 EHEARN Cn1c2ccc(C=Nc3cccc(C(F)(F)F)c3)cc2n(C)c1=O ZINC000252641566 564124736 /nfs/dbraw/zinc/12/47/36/564124736.db2.gz ZFADDEPBLOPEEE-UHFFFAOYSA-N 0 0 333.313 3.646 50 30 EHEARN N#Cc1cc2c(nc1SCC(=O)Nc1cccc(F)c1)CCCC2 ZINC000000614488 564133510 /nfs/dbraw/zinc/13/35/10/564133510.db2.gz GDDBNOXYAMLMRG-UHFFFAOYSA-N 0 0 341.411 3.702 50 30 EHEARN COc1cc2c(cc1N1CCCC1)[C@@H](c1ccccc1C#N)CC(=O)N2 ZINC000065528294 564134345 /nfs/dbraw/zinc/13/43/45/564134345.db2.gz VGOLIPXXRYNYDS-MRXNPFEDSA-N 0 0 347.418 3.641 50 30 EHEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CO1 ZINC000012654801 564135404 /nfs/dbraw/zinc/13/54/04/564135404.db2.gz ZQSQEUPUOWBSRX-MMDMWZPJSA-N 0 0 348.527 3.766 50 30 biogenic EHEARN Cn1nccc1[C@@H]1CCCCN1C(=O)NCC1CCC(F)(F)CC1 ZINC000328586292 564136483 /nfs/dbraw/zinc/13/64/83/564136483.db2.gz SFDNERZVMULGBB-HNNXBMFYSA-N 0 0 340.418 3.687 50 30 EHEARN Cc1ccc(SCC(=O)NCc2ccc(C(=O)NO)cc2)c(C)c1 ZINC000328591275 564136715 /nfs/dbraw/zinc/13/67/15/564136715.db2.gz BDPQKLYRZZESBY-UHFFFAOYSA-N 0 0 344.436 3.671 50 30 EHEARN O=C(Cc1ccsc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000328592417 564136737 /nfs/dbraw/zinc/13/67/37/564136737.db2.gz BHBMSSRNNWDHFZ-HNNXBMFYSA-N 0 0 328.437 3.817 50 30 EHEARN CC1(C)C[C@H](NC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CCO1 ZINC000328592866 564136782 /nfs/dbraw/zinc/13/67/82/564136782.db2.gz PTNHHNNWLHDIDA-CVEARBPZSA-N 0 0 327.428 3.846 50 30 EHEARN CCN(Cc1ccccc1C)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000279785704 564141032 /nfs/dbraw/zinc/14/10/32/564141032.db2.gz UVLIMCUYIKOJIT-FQEVSTJZSA-N 0 0 331.419 3.598 50 30 EHEARN COc1ccc2c(ccn2CCC(=O)Nc2nnc(CC(C)C)[nH]2)c1 ZINC000095473661 564141304 /nfs/dbraw/zinc/14/13/04/564141304.db2.gz AEXNIYXVWPDKFF-UHFFFAOYSA-N 0 0 341.415 3.645 50 30 EHEARN Cc1nccn1CCSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000095977371 564143590 /nfs/dbraw/zinc/14/35/90/564143590.db2.gz ULBALZBMSFJHRH-UHFFFAOYSA-N 0 0 326.347 3.578 50 30 EHEARN Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 ZINC000096307650 564146656 /nfs/dbraw/zinc/14/66/56/564146656.db2.gz ZZQKPDHYRAOBEV-WDZFZDKYSA-N 0 0 343.386 3.767 50 30 EHEARN COc1ccc(O)c([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)c1 ZINC000096406526 564147325 /nfs/dbraw/zinc/14/73/25/564147325.db2.gz PFRXKDVMEAFBBZ-VIFPVBQESA-N 0 0 337.301 3.859 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000096437105 564148107 /nfs/dbraw/zinc/14/81/07/564148107.db2.gz MCYXOXSFZYSHIW-AWEZNQCLSA-N 0 0 343.452 3.883 50 30 EHEARN C#Cc1cccc(NC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000096446182 564148204 /nfs/dbraw/zinc/14/82/04/564148204.db2.gz QKIRUFPJVMAGGK-LFPIHBKWSA-N 0 0 340.448 3.630 50 30 EHEARN CC(=O)Nc1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000002493670 564149928 /nfs/dbraw/zinc/14/99/28/564149928.db2.gz MMGCLGZQAGEFEI-UHFFFAOYSA-N 0 0 343.386 3.847 50 30 EHEARN CCOc1cc(C(=O)OC)cc(/N=C\c2ccccc2O)c1OCC ZINC000057412024 564153997 /nfs/dbraw/zinc/15/39/97/564153997.db2.gz YGMNWFYOCWQYRC-NDENLUEZSA-N 0 0 343.379 3.727 50 30 EHEARN N#Cc1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057861582 564156269 /nfs/dbraw/zinc/15/62/69/564156269.db2.gz OBVBWCHIVZYQJU-UHFFFAOYSA-N 0 0 345.368 3.899 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004082271 564160431 /nfs/dbraw/zinc/16/04/31/564160431.db2.gz UQVIXFCYKBWZPJ-ZBAHZVPKSA-N 0 0 330.468 3.647 50 30 biogenic EHEARN N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000067601470 564166170 /nfs/dbraw/zinc/16/61/70/564166170.db2.gz ZEZPZFXRZFJDJR-ZDUSSCGKSA-N 0 0 334.297 3.789 50 30 EHEARN COc1ccccc1C=NN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000245284273 564168942 /nfs/dbraw/zinc/16/89/42/564168942.db2.gz RDYLLAYJGVHUNR-UHFFFAOYSA-N 0 0 344.827 3.778 50 30 EHEARN COc1cc(C=NN2CC(c3ccccc3)=NC2=S)cc(OC)c1 ZINC000245284410 564168957 /nfs/dbraw/zinc/16/89/57/564168957.db2.gz RPYSGHQXNCCSQI-UHFFFAOYSA-N 0 0 339.420 3.738 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC ZINC000069454907 564169639 /nfs/dbraw/zinc/16/96/39/564169639.db2.gz ZCHAPQUKHVJXAJ-HZPDHXFCSA-N 0 0 336.391 3.708 50 30 EHEARN CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000069583783 564170686 /nfs/dbraw/zinc/17/06/86/564170686.db2.gz GSJMLLFHPUBGLN-GXFFZTMASA-N 0 0 331.803 3.579 50 30 EHEARN CCO[C@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069846651 564172509 /nfs/dbraw/zinc/17/25/09/564172509.db2.gz RJPHRNBNGAHWLJ-ZJUUUORDSA-N 0 0 336.363 3.690 50 30 EHEARN COc1cc(/C=C2/Cc3c(cccc3O)C2=O)ccc1OC(F)F ZINC000069894175 564172678 /nfs/dbraw/zinc/17/26/78/564172678.db2.gz TZUUJZTYDIIKDC-XFFZJAGNSA-N 0 0 332.302 3.825 50 30 EHEARN N#Cc1cccc(NS(=O)(=O)c2ccc(-c3cccc(N)c3)cc2)c1 ZINC000071710419 564175152 /nfs/dbraw/zinc/17/51/52/564175152.db2.gz WMJKGVSIOVANDK-UHFFFAOYSA-N 0 0 349.415 3.608 50 30 EHEARN CCOc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000071868011 564176140 /nfs/dbraw/zinc/17/61/40/564176140.db2.gz RELBXHKWUCBBJO-UHFFFAOYSA-N 0 0 336.435 3.937 50 30 EHEARN C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000078118182 564176921 /nfs/dbraw/zinc/17/69/21/564176921.db2.gz GDFZMJOPJWHYPD-CQSZACIVSA-N 0 0 339.464 3.508 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCc2ccccc2C1 ZINC000103341463 1016920010 /nfs/dbraw/zinc/92/00/10/1016920010.db2.gz BOCKLHRHQWMGKB-HYARGMPZSA-N 0 0 346.474 3.925 50 30 EHEARN O=C(N[C@@H]1CCOc2c(F)cccc21)c1csc([C@@H]2CCCO2)n1 ZINC000328768586 1018505430 /nfs/dbraw/zinc/50/54/30/1018505430.db2.gz IBPDJSXHCNPRJU-OCCSQVGLSA-N 0 0 348.399 3.962 50 30 EHEARN Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc3c(c1)NC(=O)CO3)CCO2 ZINC000588615802 1033312776 /nfs/dbraw/zinc/31/27/76/1033312776.db2.gz UBUHMCKSFWZTAY-OQLLNIDSSA-N 0 0 349.386 3.683 50 30 EHEARN C[C@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000225525268 1037813624 /nfs/dbraw/zinc/81/36/24/1037813624.db2.gz UXZARZGWKLWFQM-KECPUOCWSA-N 0 0 343.386 3.956 50 30 EHEARN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCOCC2(CCC2)C1 ZINC000329770427 1040697315 /nfs/dbraw/zinc/69/73/15/1040697315.db2.gz FZZZXRCBKAZZHV-CYBMUJFWSA-N 0 0 347.846 3.691 50 30 EHEARN Cc1nnccc1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330152458 1040809751 /nfs/dbraw/zinc/80/97/51/1040809751.db2.gz MAUPSUUCSGGXPA-MRXNPFEDSA-N 0 0 338.411 3.757 50 30 EHEARN N#C[C@@]1(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC12CCCC2 ZINC000333095639 1041724350 /nfs/dbraw/zinc/72/43/50/1041724350.db2.gz PCNZJQUKGLHSRM-VQIMIIECSA-N 0 0 344.842 3.794 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000075542753 1128865959 /nfs/dbraw/zinc/86/59/59/1128865959.db2.gz NFRYMAOWXXLPRT-OALUTQOASA-N 0 0 335.407 3.678 50 30 EHEARN N#Cc1ccccc1COC(=O)/C=C\c1ccc(Br)o1 ZINC000033858482 1123230438 /nfs/dbraw/zinc/23/04/38/1123230438.db2.gz UOANHHLPHDLBNT-VURMDHGXSA-N 0 0 332.153 3.670 50 30 EHEARN N#CCc1cccc2c1CCN(C(=O)Nc1cc3c(cn1)CCCC3)C2 ZINC000861137122 1137397881 /nfs/dbraw/zinc/39/78/81/1137397881.db2.gz MFSIAIVWWLOMAB-UHFFFAOYSA-N 0 0 346.434 3.617 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H]2C[C@H](OCC)C23CCCCC3)N=N1 ZINC000952879729 1137483200 /nfs/dbraw/zinc/48/32/00/1137483200.db2.gz AMCKFYORYDQBHM-HOTGVXAUSA-N 0 0 331.460 3.586 50 30 EHEARN C#CCCC1(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)N=N1 ZINC000952879678 1137483232 /nfs/dbraw/zinc/48/32/32/1137483232.db2.gz GJFFGAHUCCJGLQ-AWEZNQCLSA-N 0 0 325.412 3.545 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)N=N1 ZINC000952881757 1137483412 /nfs/dbraw/zinc/48/34/12/1137483412.db2.gz RCRDRTHWHIMTBG-INIZCTEOSA-N 0 0 343.402 3.854 50 30 EHEARN COC1(OC)CC2(CN(c3cc(C#N)cc(C)n3)[C@H]2c2ccccc2)C1 ZINC000952964350 1137483650 /nfs/dbraw/zinc/48/36/50/1137483650.db2.gz QLOYUKIBBJGMNW-IBGZPJMESA-N 0 0 349.434 3.592 50 30 EHEARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cc(C#N)c[nH]3)c2)cc1 ZINC000952980027 1137484780 /nfs/dbraw/zinc/48/47/80/1137484780.db2.gz FACMPQKCNJCNQS-UHFFFAOYSA-N 0 0 344.374 3.699 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COc1ccc(C#N)cc1 ZINC000103420402 1139166709 /nfs/dbraw/zinc/16/67/09/1139166709.db2.gz IRQHSMSJCLHEBO-UDWIEESQSA-N 0 0 332.403 3.818 50 30 EHEARN N#Cc1ccccc1CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000104690655 1139237521 /nfs/dbraw/zinc/23/75/21/1139237521.db2.gz LHIDPQKKKKKUKI-ICFOKQHNSA-N 0 0 332.388 3.767 50 30 EHEARN C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1ccc(Br)cc1 ZINC000062580090 214722964 /nfs/dbraw/zinc/72/29/64/214722964.db2.gz YDOYXSYEMPERDY-SWLSCSKDSA-N 0 0 340.261 3.998 50 30 EHEARN C=CCn1cc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)c(C)n1 ZINC000055358004 214311260 /nfs/dbraw/zinc/31/12/60/214311260.db2.gz QTAUHYPWALTWQX-SFHVURJKSA-N 0 0 349.438 3.765 50 30 EHEARN C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCCC1 ZINC000056153539 214361975 /nfs/dbraw/zinc/36/19/75/214361975.db2.gz MHCDLSVHAYBGID-MRXNPFEDSA-N 0 0 349.434 3.560 50 30 EHEARN CCOc1ccccc1OC1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000056290693 214367998 /nfs/dbraw/zinc/36/79/98/214367998.db2.gz AGBYKAPLDZZHPQ-UHFFFAOYSA-N 0 0 342.439 3.539 50 30 EHEARN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)cs1 ZINC000004535034 210215289 /nfs/dbraw/zinc/21/52/89/210215289.db2.gz GBZKPLNCHDAFAA-GHXNOFRVSA-N 0 0 334.194 3.855 50 30 EHEARN CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004488894 210202579 /nfs/dbraw/zinc/20/25/79/210202579.db2.gz CRITUTYZSQLKSZ-CQSZACIVSA-N 0 0 327.424 3.722 50 30 EHEARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100837247 219108891 /nfs/dbraw/zinc/10/88/91/219108891.db2.gz QWZUIDNNSHVYSX-MNDPQUGUSA-N 0 0 327.796 3.506 50 30 EHEARN Cn1cc(Br)c(C=NNc2cc(Cl)cc(Cl)c2)n1 ZINC000004382886 210183238 /nfs/dbraw/zinc/18/32/38/210183238.db2.gz JOHYIIOSBRJPFL-PJQLUOCWSA-N 0 0 348.031 3.935 50 30 EHEARN N=C(Cc1csc2ccccc12)NOC(=O)Nc1ccccc1 ZINC000004365570 210180689 /nfs/dbraw/zinc/18/06/89/210180689.db2.gz SLVQKVJAGVGRHH-UHFFFAOYSA-N 0 0 325.393 3.965 50 30 EHEARN COc1cccc(C(=O)C=C(O)C(=O)Nc2c(C)cccc2C)c1 ZINC000101355548 219124129 /nfs/dbraw/zinc/12/41/29/219124129.db2.gz OHQHVGLNEUFOPR-BOPFTXTBSA-N 0 0 325.364 3.575 50 30 EHEARN N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2ccco2)cc1 ZINC000065474591 214923462 /nfs/dbraw/zinc/92/34/62/214923462.db2.gz FWZVPJPQIDAZRY-CABCVRRESA-N 0 0 348.324 3.846 50 30 EHEARN N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000065474593 214924455 /nfs/dbraw/zinc/92/44/55/214924455.db2.gz FWZVPJPQIDAZRY-HUUCEWRRSA-N 0 0 348.324 3.846 50 30 EHEARN N#Cc1c(Cl)nsc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000047405260 213848257 /nfs/dbraw/zinc/84/82/57/213848257.db2.gz PRCYOMMTKOQAGW-GFCCVEGCSA-N 0 0 347.827 3.781 50 30 EHEARN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC#N)cc1 ZINC000004125340 210127729 /nfs/dbraw/zinc/12/77/29/210127729.db2.gz TWQWPYYAVHPKFM-UHFFFAOYSA-N 0 0 336.420 3.770 50 30 EHEARN N#Cc1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2c1CCC2 ZINC000004078833 210114383 /nfs/dbraw/zinc/11/43/83/210114383.db2.gz CVBWZEUAYPFPQD-GQCTYLIASA-N 0 0 345.405 3.730 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@H](c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000003901964 210088652 /nfs/dbraw/zinc/08/86/52/210088652.db2.gz ZKJYSYRVQLSDGW-NXHRZFHOSA-N 0 0 345.439 3.687 50 30 EHEARN COc1ccccc1Cc1nnc(SCc2ccc(C#N)cc2)o1 ZINC000066260296 215029281 /nfs/dbraw/zinc/02/92/81/215029281.db2.gz RNCAVIHMVHQHBD-UHFFFAOYSA-N 0 0 337.404 3.833 50 30 EHEARN N#Cc1ccc(C(=O)N2CCCS/C2=N\CCc2ccccc2)cc1 ZINC000003405431 210029707 /nfs/dbraw/zinc/02/97/07/210029707.db2.gz GMBATZJQBYTGKQ-XDOYNYLZSA-N 0 0 349.459 3.736 50 30 EHEARN Cc1cccc2c(C)cc(SCC(=O)N[C@@](C)(C#N)C(C)C)nc12 ZINC000003381826 210022557 /nfs/dbraw/zinc/02/25/57/210022557.db2.gz HMPWJMLIGHOUQJ-IBGZPJMESA-N 0 0 341.480 3.998 50 30 EHEARN N#Cc1ccccc1OCC(=O)OCc1cccc(C(F)(F)F)c1 ZINC000003301712 210002427 /nfs/dbraw/zinc/00/24/27/210002427.db2.gz DGVKCHGSCYBNFZ-UHFFFAOYSA-N 0 0 335.281 3.699 50 30 EHEARN CC(C)[C@@H](C#N)c1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 ZINC000003186766 209975275 /nfs/dbraw/zinc/97/52/75/209975275.db2.gz OCNCQKRUAOHTIZ-GOSISDBHSA-N 0 0 331.419 3.666 50 30 EHEARN CCCCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 ZINC000003101358 209963686 /nfs/dbraw/zinc/96/36/86/209963686.db2.gz SSYQFFGSSHWCCF-KGENOOAVSA-N 0 0 335.407 3.766 50 30 EHEARN N#Cc1cnc2nc(SCc3ccc(Cl)cc3Cl)nn2c1 ZINC000003118860 209967166 /nfs/dbraw/zinc/96/71/66/209967166.db2.gz AMRXYHTYRLSJKB-UHFFFAOYSA-N 0 0 336.207 3.595 50 30 EHEARN Cc1ccc(C#N)c(Oc2cc(F)c(CN3CCCC3)c(F)c2)n1 ZINC000067841080 215227525 /nfs/dbraw/zinc/22/75/25/215227525.db2.gz UXZXCYAWSKECJS-UHFFFAOYSA-N 0 0 329.350 3.928 50 30 EHEARN Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)on1 ZINC000068343640 215301406 /nfs/dbraw/zinc/30/14/06/215301406.db2.gz SECNARLCKNVBEI-GOSISDBHSA-N 0 0 347.374 3.557 50 30 EHEARN N#Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000002641593 209881357 /nfs/dbraw/zinc/88/13/57/209881357.db2.gz PAVVBNSJPXSOJI-UHFFFAOYSA-N 0 0 330.756 3.575 50 30 EHEARN O=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002293692 209838602 /nfs/dbraw/zinc/83/86/02/209838602.db2.gz ZSMSOJFQKTYPNK-UHFFFAOYSA-N 0 0 346.174 3.550 50 30 EHEARN C=CCN1C(=O)[C@](O)(c2c[nH]c3ccccc32)c2cc(Cl)ccc21 ZINC000002214825 209830179 /nfs/dbraw/zinc/83/01/79/209830179.db2.gz SCHQQDYYKVMIET-LJQANCHMSA-N 0 0 338.794 3.590 50 30 EHEARN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ncccc1C#N ZINC000040135284 213270724 /nfs/dbraw/zinc/27/07/24/213270724.db2.gz VPFMRHIDBRACJX-UHFFFAOYSA-N 0 0 335.386 3.551 50 30 EHEARN C[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000036093465 213062978 /nfs/dbraw/zinc/06/29/78/213062978.db2.gz VSPVHAUHHAFJFU-GAXXODKWSA-N 0 0 329.450 3.602 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(C)c1 ZINC000000436232 209599878 /nfs/dbraw/zinc/59/98/78/209599878.db2.gz YYIPVKVHARGEIW-GOSISDBHSA-N 0 0 325.408 3.526 50 30 EHEARN COc1ccc(-c2n[nH]cc2-c2cc(C(C)C)nc(N)c2C#N)cc1 ZINC000071575577 215786594 /nfs/dbraw/zinc/78/65/94/215786594.db2.gz SRMHNDFSFUJGMD-UHFFFAOYSA-N 0 0 333.395 3.725 50 30 EHEARN COc1ccc(CN=Nc2ncc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000035241839 213015991 /nfs/dbraw/zinc/01/59/91/213015991.db2.gz WDRJYFNMFAFTKY-FBHDLOMBSA-N 0 0 349.350 3.506 50 30 EHEARN Cc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)nn1C(C)(C)C ZINC000072271665 216095368 /nfs/dbraw/zinc/09/53/68/216095368.db2.gz UXHMNKLPYRQKRW-UHFFFAOYSA-N 0 0 327.432 3.627 50 30 EHEARN C=CCc1cccc2cc(C(=O)Nc3ccccc3OC)c(=O)oc21 ZINC000000295790 209521719 /nfs/dbraw/zinc/52/17/19/209521719.db2.gz CUQQOCOUBSVVOV-UHFFFAOYSA-N 0 0 335.359 3.782 50 30 EHEARN N#Cc1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000000089249 209411946 /nfs/dbraw/zinc/41/19/46/209411946.db2.gz NTZXWQYTOOHELU-UHFFFAOYSA-N 0 0 340.404 3.522 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccccc2Cl)C1 ZINC000000067036 209397932 /nfs/dbraw/zinc/39/79/32/209397932.db2.gz PWCCMTSEFZVAAH-OAHLLOKOSA-N 0 0 328.803 3.590 50 30 EHEARN Cc1ccc(C[C@@H](C#N)Sc2nc3sccc3c(=O)n2C)cc1 ZINC000024724986 212435640 /nfs/dbraw/zinc/43/56/40/212435640.db2.gz GXJQMYPMJSDGGZ-ZDUSSCGKSA-N 0 0 341.461 3.530 50 30 EHEARN COc1ccc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000022417209 212296648 /nfs/dbraw/zinc/29/66/48/212296648.db2.gz KYDZTDPPJVATTH-UHFFFAOYSA-N 0 0 344.370 3.986 50 30 EHEARN C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000225525234 241913921 /nfs/dbraw/zinc/91/39/21/241913921.db2.gz UXZARZGWKLWFQM-UROBUVALSA-N 0 0 343.386 3.956 50 30 EHEARN Cc1ccsc1[C@@H]1Nc2nonc2N=C2CC(C)(C)CC(=O)C21 ZINC000021147007 212211176 /nfs/dbraw/zinc/21/11/76/212211176.db2.gz WOIIICVXYWHODX-GFCCVEGCSA-N 0 0 330.413 3.661 50 30 EHEARN Cc1oc(C#N)cc1C(=O)Nc1c(F)ccc(C)c1Br ZINC000239359537 242954017 /nfs/dbraw/zinc/95/40/17/242954017.db2.gz AEPAIXFZFZLEJL-UHFFFAOYSA-N 0 0 337.148 3.922 50 30 EHEARN CCC(CC)c1nnc(NC(=O)c2cc(=O)[nH]c3ccccc32)s1 ZINC000020913249 212186103 /nfs/dbraw/zinc/18/61/03/212186103.db2.gz NEFWZXXOOXXNKF-UHFFFAOYSA-N 0 0 342.424 3.920 50 30 EHEARN N#Cc1ccnc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000253404142 243909724 /nfs/dbraw/zinc/90/97/24/243909724.db2.gz FBZXSAFOAJYCAH-MRXNPFEDSA-N 0 0 343.839 3.537 50 30 EHEARN N#Cc1cc(NC(=O)c2cc3nccnc3cc2F)ccc1Cl ZINC000253421292 243958952 /nfs/dbraw/zinc/95/89/52/243958952.db2.gz UIFPGXPGJXSEKG-UHFFFAOYSA-N 0 0 326.718 3.546 50 30 EHEARN C/N=C1/S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C ZINC000015985832 211873946 /nfs/dbraw/zinc/87/39/46/211873946.db2.gz NAZRLAPRFAUAEY-NIQTYAIASA-N 0 0 343.427 3.765 50 30 EHEARN COc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1OC ZINC000085876607 217686590 /nfs/dbraw/zinc/68/65/90/217686590.db2.gz YOMNDBPQAYZBOD-AUWJEWJLSA-N 0 0 340.375 3.543 50 30 biogenic EHEARN C=C(C)Cn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CCC4)c1=O ZINC000012324178 211348091 /nfs/dbraw/zinc/34/80/91/211348091.db2.gz QQWRSHLAXGWYDY-UHFFFAOYSA-N 0 0 347.374 3.863 50 30 EHEARN C(#Cc1ccccc1-c1cn(Cc2ccco2)nn1)c1ccccc1 ZINC000091656580 218041200 /nfs/dbraw/zinc/04/12/00/218041200.db2.gz NKSFTRGSAKTREO-UHFFFAOYSA-N 0 0 325.371 3.986 50 30 EHEARN N#Cc1ccc(OC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 ZINC000011327152 211212420 /nfs/dbraw/zinc/21/24/20/211212420.db2.gz JBSIBESJCSFFBT-UHFFFAOYSA-N 0 0 336.322 3.891 50 30 EHEARN O=C(Nc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)C(F)(F)F ZINC000011286436 211210419 /nfs/dbraw/zinc/21/04/19/211210419.db2.gz DCNYHJCOTXPJKX-UHFFFAOYSA-N 0 0 345.276 3.650 50 30 EHEARN N#Cc1cccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 ZINC000011036200 211202198 /nfs/dbraw/zinc/20/21/98/211202198.db2.gz JQCCRIQHRLPYTE-HNNXBMFYSA-N 0 0 331.297 3.687 50 30 EHEARN Cc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ncnn21 ZINC000009484301 211090830 /nfs/dbraw/zinc/09/08/30/211090830.db2.gz OXFDGCNXRCSJRX-BFUOFWGJSA-N 0 0 346.390 3.595 50 30 EHEARN CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)OC ZINC000009482686 211090218 /nfs/dbraw/zinc/09/02/18/211090218.db2.gz NMQSISXISLBAKW-OAHLLOKOSA-N 0 0 342.439 3.513 50 30 EHEARN C[C@H](Sc1ncnc2ccsc21)C(=O)NC1(C#N)CCCCC1 ZINC000009363873 211074095 /nfs/dbraw/zinc/07/40/95/211074095.db2.gz FZAYPSJBLXNLFR-NSHDSACASA-N 0 0 346.481 3.515 50 30 EHEARN N#Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 ZINC000009337381 211068788 /nfs/dbraw/zinc/06/87/88/211068788.db2.gz FWTDMMVXZJPXLJ-UHFFFAOYSA-N 0 0 332.363 3.570 50 30 EHEARN C=CCN1c2ccc(NC(=O)CC(C)(C)C)cc2OCC(C)(C)C1=O ZINC000008958780 211023241 /nfs/dbraw/zinc/02/32/41/211023241.db2.gz JKTDKWSTUGKNJJ-UHFFFAOYSA-N 0 0 344.455 3.999 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-n2ccnc2)cc1 ZINC000008778557 211006888 /nfs/dbraw/zinc/00/68/88/211006888.db2.gz YIZPJCCQFPZYEZ-IBGZPJMESA-N 0 0 330.391 3.625 50 30 EHEARN CN(CC(=O)Nc1cccc2ccccc21)Cc1ccccc1C#N ZINC000008328608 210937745 /nfs/dbraw/zinc/93/77/45/210937745.db2.gz RRUNYGYPIXZXBV-UHFFFAOYSA-N 0 0 329.403 3.782 50 30 EHEARN Cc1ccc(C2=NN/C(=N\c3ccccc3)SC2)cc1[N+](=O)[O-] ZINC000007889317 210861968 /nfs/dbraw/zinc/86/19/68/210861968.db2.gz QACLSUGBVXAEGQ-UHFFFAOYSA-N 0 0 326.381 3.631 50 30 EHEARN CC/N=C1/S/C(=C/c2cn(CC)c3ccccc23)C(=O)N1CC ZINC000005764717 210532174 /nfs/dbraw/zinc/53/21/74/210532174.db2.gz ORGAEAUNIOWANL-FLXQFUDPSA-N 0 0 327.453 3.973 50 30 EHEARN COc1cccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2C#N)c1 ZINC000005642833 210508723 /nfs/dbraw/zinc/50/87/23/210508723.db2.gz ORXXDNWETRCVRZ-CYBMUJFWSA-N 0 0 341.436 3.698 50 30 EHEARN O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005128312 210397112 /nfs/dbraw/zinc/39/71/12/210397112.db2.gz DXSBUEUPBIGBGZ-ORCRQEGFSA-N 0 0 345.738 3.916 50 30 EHEARN COc1ccc(CNc2oc(-c3ccccc3)nc2C#N)cc1OC ZINC000004980037 210347589 /nfs/dbraw/zinc/34/75/89/210347589.db2.gz BZTHJIGWLQUKEG-UHFFFAOYSA-N 0 0 335.363 3.843 50 30 EHEARN CCCC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000004957428 210339317 /nfs/dbraw/zinc/33/93/17/210339317.db2.gz MOXOHMLBRZMGHQ-IBGZPJMESA-N 0 0 327.424 3.854 50 30 EHEARN Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1ccccc1 ZINC000004940579 210331057 /nfs/dbraw/zinc/33/10/57/210331057.db2.gz DQPGWPPJDSLOGV-VRYAQOKTSA-N 0 0 337.448 3.849 50 30 EHEARN CCOC(=O)N1CCC(N=Nc2ccnc3cc(Cl)ccc23)CC1 ZINC000004863641 210304761 /nfs/dbraw/zinc/30/47/61/210304761.db2.gz YTXJSXBGYHZHIM-UHFFFAOYSA-N 0 0 346.818 3.908 50 30 EHEARN C[C@H](C#N)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000004835774 210293840 /nfs/dbraw/zinc/29/38/40/210293840.db2.gz NROFYDCHQJSXBU-LLVKDONJSA-N 0 0 341.827 3.987 50 30 EHEARN Cc1cccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2O)c1 ZINC000097474818 219028167 /nfs/dbraw/zinc/02/81/67/219028167.db2.gz ZPIGNPRACDNTMC-ALCCZGGFSA-N 0 0 345.192 3.719 50 30 EHEARN O=C(NCc1ccc(OCc2cccc(F)c2)cc1)[C@@H]1CCNC1=O ZINC000328600572 258041979 /nfs/dbraw/zinc/04/19/79/258041979.db2.gz YSHRSKVZGRBKFG-QGZVFWFLSA-N 0 0 342.370 3.838 50 30 EHEARN C=CCOc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000007402242 258043567 /nfs/dbraw/zinc/04/35/67/258043567.db2.gz XZMQQHXSFIGVOF-UHFFFAOYSA-N 0 0 340.379 3.740 50 30 EHEARN CCOC(=O)c1c(NC(C)=O)sc(C(C)=NO)c1-c1ccccc1 ZINC000245310339 258000365 /nfs/dbraw/zinc/00/03/65/258000365.db2.gz IHTFNFQGKDTXIC-UHFFFAOYSA-N 0 0 346.408 3.748 50 30 EHEARN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000330033298 258002181 /nfs/dbraw/zinc/00/21/81/258002181.db2.gz YXTLEDIVUNNCBL-HOTGVXAUSA-N 0 0 339.439 3.636 50 30 EHEARN O=C(Nc1cnns1)c1cc(Cl)cc(F)c1Br ZINC000330032582 258003026 /nfs/dbraw/zinc/00/30/26/258003026.db2.gz PIKFCUZWWLNVQV-UHFFFAOYSA-N 0 0 336.573 3.729 50 30 EHEARN COc1cc(/C=N/OC(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000000073837 258047260 /nfs/dbraw/zinc/04/72/60/258047260.db2.gz RUGMIOJHEFRMLJ-VXLYETTFSA-N 0 0 349.770 3.557 50 30 EHEARN C=CCN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000012343745 258017631 /nfs/dbraw/zinc/01/76/31/258017631.db2.gz CNRMQGRMDIIFLT-UHFFFAOYSA-N 0 0 334.463 3.539 50 30 EHEARN Cc1nnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)s1 ZINC000028802687 258057945 /nfs/dbraw/zinc/05/79/45/258057945.db2.gz ABIMBUXZFDSSLV-DHDCSXOGSA-N 0 0 345.493 3.819 50 30 EHEARN N#Cc1ccccc1Sc1ccc(C(=O)O[C@@H]2CCOC2)cc1 ZINC000170652324 226681779 /nfs/dbraw/zinc/68/17/79/226681779.db2.gz BZUTVWFQEYRKPV-OAHLLOKOSA-N 0 0 325.389 3.655 50 30 EHEARN CC(=O)c1cccc(NCC(=O)Nc2ccccc2SCC#N)c1 ZINC000030289328 518445845 /nfs/dbraw/zinc/44/58/45/518445845.db2.gz VMBPPRAPHJDLJT-UHFFFAOYSA-N 0 0 339.420 3.555 50 30 EHEARN C/C(=N\N[C@@H](C)Oc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000043761334 518463827 /nfs/dbraw/zinc/46/38/27/518463827.db2.gz WEANHXFTQBSFOK-GNUZOCDUSA-N 0 0 339.395 3.822 50 30 EHEARN C=CCN(Cc1ccccc1C)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000055183154 518785334 /nfs/dbraw/zinc/78/53/34/518785334.db2.gz HGVWFMHJYFCDGM-UHFFFAOYSA-N 0 0 332.403 3.665 50 30 EHEARN C=CCNC(=O)/C(=C/c1ccc(C(C)C)cc1)NC(=O)c1ccccc1 ZINC000002967530 518880642 /nfs/dbraw/zinc/88/06/42/518880642.db2.gz HLQCIKCYSKFBLF-HKWRFOASSA-N 0 0 348.446 3.883 50 30 EHEARN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102663 518994762 /nfs/dbraw/zinc/99/47/62/518994762.db2.gz AWXZCEUUJSIWHM-LJQANCHMSA-N 0 0 347.405 3.531 50 30 EHEARN C=CCOc1ccc(CN(C)C(=O)NCCc2ccccc2C)cc1 ZINC000030980018 519029782 /nfs/dbraw/zinc/02/97/82/519029782.db2.gz CBERCVSPZNOJCY-UHFFFAOYSA-N 0 0 338.451 3.944 50 30 EHEARN CCN(CC)c1ccc(CN=Nc2nncc(-c3ccccc3)n2)cc1 ZINC000033155137 520884976 /nfs/dbraw/zinc/88/49/76/520884976.db2.gz KZQDNMZLXPOPEF-STZFKDTASA-N 0 0 346.438 3.831 50 30 EHEARN COC(=O)C(CC(=O)c1ccc(Cl)cc1)=Nc1ccc(OC)cc1 ZINC000100622762 522740321 /nfs/dbraw/zinc/74/03/21/522740321.db2.gz QSUMOOCZBYWKBJ-WJDWOHSUSA-N 0 0 345.782 3.700 50 30 EHEARN COc1ccc(C(=O)C[C@H](C#N)c2ccc(OC)c(OC)c2)cc1 ZINC000000489706 523594407 /nfs/dbraw/zinc/59/44/07/523594407.db2.gz LCDFAMVXGUUCEZ-OAHLLOKOSA-N 0 0 325.364 3.593 50 30 biogenic EHEARN COc1ccccc1CC(=N)NOC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004170039 524367344 /nfs/dbraw/zinc/36/73/44/524367344.db2.gz GQGWDZFSCQXASJ-UHFFFAOYSA-N 0 0 340.423 3.664 50 30 EHEARN C=CCN(CC=C)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 ZINC000227115132 534825240 /nfs/dbraw/zinc/82/52/40/534825240.db2.gz WAXYBYPQIPTNBT-UHFFFAOYSA-N 0 0 335.329 3.705 50 30 EHEARN C[C@@](C#N)(NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000021698612 525740017 /nfs/dbraw/zinc/74/00/17/525740017.db2.gz GFADGUUASOWHQT-AWEZNQCLSA-N 0 0 345.752 3.579 50 30 EHEARN O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c1ccccc1 ZINC000001704220 526433266 /nfs/dbraw/zinc/43/32/66/526433266.db2.gz WMVSVUVZSYRWIY-UHFFFAOYSA-N 0 0 346.342 3.538 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069737772 526456626 /nfs/dbraw/zinc/45/66/26/526456626.db2.gz PJMIQPJBBJQNAW-UONOGXRCSA-N 0 0 339.361 3.693 50 30 EHEARN N#C[C@@H](C(=O)c1ccn(Cc2ccccc2)c1)c1nc2ccccc2[nH]1 ZINC000328593317 526494437 /nfs/dbraw/zinc/49/44/37/526494437.db2.gz QCSYFVRQGPFQOL-KRWDZBQOSA-N 0 0 340.386 3.903 50 30 EHEARN NC(=NOCC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000005295735 526810986 /nfs/dbraw/zinc/81/09/86/526810986.db2.gz KHPYLXHBYCJWEJ-UHFFFAOYSA-N 0 0 345.402 3.629 50 30 EHEARN O=C(CON=C1c2ccccc2-c2ccccc21)NCc1cccs1 ZINC000005460206 526942687 /nfs/dbraw/zinc/94/26/87/526942687.db2.gz RAJAVFNUIMYBOF-UHFFFAOYSA-N 0 0 348.427 3.814 50 30 EHEARN Cc1cc(OCC(=O)Nc2ccccc2C#N)ccc1Br ZINC000000580784 564024713 /nfs/dbraw/zinc/02/47/13/564024713.db2.gz BNWCCHGGCCUZGV-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN COc1cc(Cl)c(C=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000000092159 563222829 /nfs/dbraw/zinc/22/28/29/563222829.db2.gz YOQRHERMOWJVTD-UHFFFAOYSA-N 0 0 328.751 3.820 50 30 EHEARN O=C(O/N=C/c1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl ZINC000000163036 563249172 /nfs/dbraw/zinc/24/91/72/563249172.db2.gz GRPUBNUQOKHXQQ-CNHKJKLMSA-N 0 0 338.146 3.913 50 30 EHEARN CO[C@@](C)(C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1 ZINC000071882663 563374255 /nfs/dbraw/zinc/37/42/55/563374255.db2.gz VJVDUJZLZOYQNA-MRXNPFEDSA-N 0 0 347.465 3.568 50 30 EHEARN O=c1c2c3c(sc2ncn1/N=C/C=C/c1ccccc1)CCCC3 ZINC000002310324 563428971 /nfs/dbraw/zinc/42/89/71/563428971.db2.gz KAEGEWIEAGTEMW-XZHCKZKCSA-N 0 0 335.432 3.884 50 30 EHEARN O=c1[nH]c2ccccc2nc1C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000002963094 563464615 /nfs/dbraw/zinc/46/46/15/563464615.db2.gz VUMQZPRALIVDSS-UHFFFAOYSA-N 0 0 346.177 3.963 50 30 EHEARN N#CC1(NC(=O)CNc2ccc3c(c2)Cc2ccccc2-3)CCCC1 ZINC000046170733 563520840 /nfs/dbraw/zinc/52/08/40/563520840.db2.gz AVHYVMXBQZFDMS-UHFFFAOYSA-N 0 0 331.419 3.622 50 30 EHEARN CO/N=C1/C[C@@H](C)Cc2nnc(-c3ccc(Br)cc3)cc21 ZINC000005696812 563545987 /nfs/dbraw/zinc/54/59/87/563545987.db2.gz NQKXIUCEXZBZGY-NLJQMMIASA-N 0 0 346.228 3.839 50 30 EHEARN O=S(=O)(O/N=C1\CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000005877019 563552740 /nfs/dbraw/zinc/55/27/40/563552740.db2.gz CQDVKBWDSVCDFL-FBMGVBCBSA-N 0 0 335.812 3.786 50 30 EHEARN N#C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)C1CCCCC1 ZINC000071908683 563569620 /nfs/dbraw/zinc/56/96/20/563569620.db2.gz NEZMDOUBZPZYKZ-INIZCTEOSA-N 0 0 329.469 3.882 50 30 EHEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccnc1 ZINC000008438743 563630478 /nfs/dbraw/zinc/63/04/78/563630478.db2.gz KHVGPPWAHBXMSQ-QGZVFWFLSA-N 0 0 330.428 3.727 50 30 EHEARN CN(CCC#N)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000032682353 563682358 /nfs/dbraw/zinc/68/23/58/563682358.db2.gz QCQOIDUVOOYMLI-SFHVURJKSA-N 0 0 346.515 3.986 50 30 EHEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000016450446 563811956 /nfs/dbraw/zinc/81/19/56/563811956.db2.gz OYEZNFMQOJFUEA-XFFZJAGNSA-N 0 0 349.755 3.733 50 30 EHEARN C[C@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccccc2)C1 ZINC000016956959 563827293 /nfs/dbraw/zinc/82/72/93/563827293.db2.gz HPHLQXGLDTWYKJ-OTYXRUKQSA-N 0 0 348.328 3.565 50 30 EHEARN C=CCn1c(SC[C@@H]2CCC(C)(C)O2)nnc1-c1ccncc1 ZINC000187287130 563920180 /nfs/dbraw/zinc/92/01/80/563920180.db2.gz LXTIYFCRLCCYFR-AWEZNQCLSA-N 0 0 330.457 3.576 50 30 EHEARN CCN(C(C)=O)c1nc(/C=C2\Sc3ccccc3C2=O)cs1 ZINC000072312334 563929294 /nfs/dbraw/zinc/92/92/94/563929294.db2.gz BCTWVUCAJXGARZ-ZSOIEALJSA-N 0 0 330.434 3.845 50 30 EHEARN N#CC1CCN(C(=O)NCc2ccccc2OCc2ccccc2)CC1 ZINC000057992033 563936264 /nfs/dbraw/zinc/93/62/64/563936264.db2.gz SZYBERCHSAQBRP-UHFFFAOYSA-N 0 0 349.434 3.711 50 30 EHEARN CCOc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1O ZINC000072333012 563936402 /nfs/dbraw/zinc/93/64/02/563936402.db2.gz XZARROVUCFGQHV-CSKARUKUSA-N 0 0 328.364 3.704 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)CSc1ccc(F)cc1F ZINC000058341586 563942904 /nfs/dbraw/zinc/94/29/04/563942904.db2.gz LHPNPQCVHWAWMB-UHFFFAOYSA-N 0 0 336.363 3.592 50 30 EHEARN N#CC1(NC(=O)Cc2csc(-c3ccsc3)n2)CCCCC1 ZINC000058440526 563946617 /nfs/dbraw/zinc/94/66/17/563946617.db2.gz WRVSIAAOTCSBIJ-UHFFFAOYSA-N 0 0 331.466 3.757 50 30 EHEARN O=C1c2ccccc2[C@](O)(C#Cc2ccccc2)N1c1ccccc1 ZINC000003128698 563952440 /nfs/dbraw/zinc/95/24/40/563952440.db2.gz ZOYBFRXHSUYDHK-JOCHJYFZSA-N 0 0 325.367 3.544 50 30 EHEARN N#CC1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000097046066 563966963 /nfs/dbraw/zinc/96/69/63/563966963.db2.gz WTPLPFFKRYENRJ-UHFFFAOYSA-N 0 0 347.378 3.657 50 30 EHEARN Cc1noc(C)c1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000097101963 563967691 /nfs/dbraw/zinc/96/76/91/563967691.db2.gz FVKZNGJTTZZHRU-UHFFFAOYSA-N 0 0 327.428 3.616 50 30 EHEARN N#Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1C(F)(F)F ZINC000097109216 563967952 /nfs/dbraw/zinc/96/79/52/563967952.db2.gz VQHRIFYMQCOLAV-UHFFFAOYSA-N 0 0 325.311 3.551 50 30 EHEARN Cc1ccc2c(CC(=O)N(CCC#N)Cc3cccnc3)coc2c1C ZINC000072271715 563970856 /nfs/dbraw/zinc/97/08/56/563970856.db2.gz UBIVKBOBJMDXNI-UHFFFAOYSA-N 0 0 347.418 3.930 50 30 EHEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@@H](C)CC2 ZINC000006040886 563970986 /nfs/dbraw/zinc/97/09/86/563970986.db2.gz SCWYJDAEMXVVCL-JTQLQIEISA-N 0 0 338.498 3.522 50 30 EHEARN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(C#N)CC1 ZINC000097055332 563971862 /nfs/dbraw/zinc/97/18/62/563971862.db2.gz PZTZCVSCADHUGB-LBPRGKRZSA-N 0 0 339.361 3.582 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC(CCOc3ccccc3)CC2)c1 ZINC000033311812 563973559 /nfs/dbraw/zinc/97/35/59/563973559.db2.gz ZYZPONOHFGHCII-UHFFFAOYSA-N 0 0 334.419 3.880 50 30 EHEARN CCn1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC000071748033 563982975 /nfs/dbraw/zinc/98/29/75/563982975.db2.gz NLIBJINSRQPERM-GOSISDBHSA-N 0 0 329.831 3.607 50 30 EHEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C)CC1 ZINC000014242317 563983672 /nfs/dbraw/zinc/98/36/72/563983672.db2.gz HGKRGOYZFLOQSV-AWEZNQCLSA-N 0 0 345.512 3.948 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257361080 563993135 /nfs/dbraw/zinc/99/31/35/563993135.db2.gz LHNVKVKZPHUYQO-CJAFCWQJSA-N 0 0 328.452 3.855 50 30 EHEARN Cc1ccc(C(=O)N2CCSCC2)cc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000252481735 563997723 /nfs/dbraw/zinc/99/77/23/563997723.db2.gz CRBIPZNEMHRZGR-DOTOQJQBSA-N 0 0 343.496 3.678 50 30 EHEARN Cc1nc(NC(=O)c2cccnc2OC(C)C)sc1SCC#N ZINC000252495060 563997833 /nfs/dbraw/zinc/99/78/33/563997833.db2.gz OLYFUMDPHTWBJJ-UHFFFAOYSA-N 0 0 348.453 3.502 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(F)cc1 ZINC000000428094 563998849 /nfs/dbraw/zinc/99/88/49/563998849.db2.gz XECCUGFXZOZYLE-YJBOKZPZSA-N 0 0 328.339 3.738 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(OC)cc1 ZINC000000428086 563998858 /nfs/dbraw/zinc/99/88/58/563998858.db2.gz UWDXAOVMLGESTC-LPHOPBHVSA-N 0 0 340.375 3.608 50 30 EHEARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2NCC#N ZINC000061992878 564002855 /nfs/dbraw/zinc/00/28/55/564002855.db2.gz WWGMIWNOEKZCJH-BGILOXMBSA-N 0 0 330.516 3.872 50 30 biogenic EHEARN CCCc1cc(C(=O)OCC(=O)Nc2sccc2C#N)sc1C ZINC000005435591 564003953 /nfs/dbraw/zinc/00/39/53/564003953.db2.gz LIECFNZHQZJGST-UHFFFAOYSA-N 0 0 348.449 3.738 50 30 EHEARN CCOc1cccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)c1OC ZINC000007744212 564006913 /nfs/dbraw/zinc/00/69/13/564006913.db2.gz QDGZYDDDMGEVLW-VAWYXSNFSA-N 0 0 339.391 3.948 50 30 EHEARN Cc1[nH]ccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000176150174 564013303 /nfs/dbraw/zinc/01/33/03/564013303.db2.gz QRZIZEDSNQNOFV-FQEVSTJZSA-N 0 0 345.402 3.897 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1 ZINC000018195600 564018661 /nfs/dbraw/zinc/01/86/61/564018661.db2.gz GOHJHSQLJPJOKH-CYBMUJFWSA-N 0 0 343.814 3.969 50 30 EHEARN O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196754 564018724 /nfs/dbraw/zinc/01/87/24/564018724.db2.gz AYYXQVCGKIRMNE-LJQANCHMSA-N 0 0 335.359 3.685 50 30 EHEARN C=CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000046078635 564029518 /nfs/dbraw/zinc/02/95/18/564029518.db2.gz WLONXVYRKCCBFP-UHFFFAOYSA-N 0 0 334.419 3.504 50 30 EHEARN N#Cc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 ZINC000024838190 564034012 /nfs/dbraw/zinc/03/40/12/564034012.db2.gz GIBHJHQUTPNCTO-UHFFFAOYSA-N 0 0 347.399 3.638 50 30 EHEARN C=CCSc1nnc2c(n1)O[C@H](c1cccnc1)Nc1ccccc1-2 ZINC000002977529 564043869 /nfs/dbraw/zinc/04/38/69/564043869.db2.gz PXQQCFKCBWOOTK-MRXNPFEDSA-N 0 0 349.419 3.715 50 30 EHEARN C=CCn1c(C)nnc1SCc1ccc(C#N)cc1Br ZINC000182222505 564052163 /nfs/dbraw/zinc/05/21/63/564052163.db2.gz IJFLJWZBVWOKEX-UHFFFAOYSA-N 0 0 349.257 3.699 50 30 EHEARN CCOc1cc(C#N)c(NC(=O)c2c(F)cccc2F)cc1OCC ZINC000001075573 564054310 /nfs/dbraw/zinc/05/43/10/564054310.db2.gz CRNVDVLMEWMTCN-UHFFFAOYSA-N 0 0 346.333 3.886 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257357783 564055962 /nfs/dbraw/zinc/05/59/62/564055962.db2.gz PWCLWZOSAFOXFL-JLHGIXDNSA-N 0 0 330.468 3.694 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)CCCC(C)C)n1 ZINC000019139400 564059059 /nfs/dbraw/zinc/05/90/59/564059059.db2.gz JTDHVFYAEBDZPP-AWEZNQCLSA-N 0 0 333.501 3.993 50 30 EHEARN C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCCC1 ZINC000044085709 564059535 /nfs/dbraw/zinc/05/95/35/564059535.db2.gz TYJVJJWIHVWFEE-UHFFFAOYSA-N 0 0 341.480 3.759 50 30 EHEARN Cn1ccnc1Sc1ccccc1NC(=O)c1cc(C#N)cs1 ZINC000084089220 564066426 /nfs/dbraw/zinc/06/64/26/564066426.db2.gz FZDYPARIDBUKDV-UHFFFAOYSA-N 0 0 340.433 3.757 50 30 EHEARN N#CCOc1ccc(CC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000084372338 564067925 /nfs/dbraw/zinc/06/79/25/564067925.db2.gz FJZXQINJBIJAFJ-IBGZPJMESA-N 0 0 338.382 3.634 50 30 EHEARN N#CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000084541258 564068646 /nfs/dbraw/zinc/06/86/46/564068646.db2.gz OURBBPMHOSCQIX-RBUKOAKNSA-N 0 0 332.403 3.541 50 30 EHEARN N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000084581829 564068840 /nfs/dbraw/zinc/06/88/40/564068840.db2.gz HXVINUCHMLWXKO-RDJZCZTQSA-N 0 0 336.357 3.585 50 30 EHEARN C=CCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006014780 564070694 /nfs/dbraw/zinc/07/06/94/564070694.db2.gz MZYMAADYZWTBHQ-UHFFFAOYSA-N 0 0 325.456 3.851 50 30 EHEARN C=CCn1c(C)nn(CN2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC000014197169 564074127 /nfs/dbraw/zinc/07/41/27/564074127.db2.gz IDSINAMMDWOVTQ-KRWDZBQOSA-N 0 0 344.484 3.712 50 30 EHEARN O=C1N/C(=N\N=C\c2ccc(F)cc2)S/C1=C/c1ccc(F)cc1 ZINC000005714570 564078659 /nfs/dbraw/zinc/07/86/59/564078659.db2.gz DJUKBTCGMSHPCX-SABIUBGXSA-N 0 0 343.358 3.559 50 30 EHEARN Cc1cc(C)c(CNc2c(C#N)cnc3ccc(Cl)cc32)c(=O)[nH]1 ZINC000075094678 564079955 /nfs/dbraw/zinc/07/99/55/564079955.db2.gz NEIIGIRLGHPAAB-UHFFFAOYSA-N 0 0 338.798 3.677 50 30 EHEARN Cc1ccsc1C=NN1CCN(Cc2ccc(C)cc2C)CC1 ZINC000244884072 564088595 /nfs/dbraw/zinc/08/85/95/564088595.db2.gz YERKOSLZJSQSEU-UHFFFAOYSA-N 0 0 327.497 3.825 50 30 EHEARN CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(F)ccc1C#N ZINC000160923431 564089348 /nfs/dbraw/zinc/08/93/48/564089348.db2.gz MMNNSQQYTWQFTH-UHFFFAOYSA-N 0 0 329.322 3.805 50 30 EHEARN O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N=C1NCCS1 ZINC000064378956 564090006 /nfs/dbraw/zinc/09/00/06/564090006.db2.gz KZMHDCBFSCWOPT-UHFFFAOYSA-N 0 0 336.460 3.800 50 30 EHEARN C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)cccc3CC)cc2C1=O ZINC000006651766 564095374 /nfs/dbraw/zinc/09/53/74/564095374.db2.gz DFOHHHCNTAFVGG-UHFFFAOYSA-N 0 0 348.402 3.592 50 30 EHEARN CC1=CC(C)(C)N(C)c2ccc(-c3[nH]c(=S)[nH]c(=O)c3C#N)cc21 ZINC000169681364 564098173 /nfs/dbraw/zinc/09/81/73/564098173.db2.gz RULWRXJNTTWJJR-UHFFFAOYSA-N 0 0 338.436 3.603 50 30 EHEARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc2c1 ZINC000006908932 564101164 /nfs/dbraw/zinc/10/11/64/564101164.db2.gz XBSSNVOSJSLTMD-GFCCVEGCSA-N 0 0 336.420 3.862 50 30 EHEARN CCCn1cc(CCNC(=O)Nc2cccc(C#N)c2)c2cccnc21 ZINC000065156663 564101925 /nfs/dbraw/zinc/10/19/25/564101925.db2.gz HURFVTFDQMOREX-UHFFFAOYSA-N 0 0 347.422 3.682 50 30 EHEARN Cc1cc(C)c(C#N)c(SCc2nc(-c3cccs3)no2)n1 ZINC000006983495 564102658 /nfs/dbraw/zinc/10/26/58/564102658.db2.gz BTGUDELQFRLWBL-UHFFFAOYSA-N 0 0 328.422 3.974 50 30 EHEARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000007003043 564103036 /nfs/dbraw/zinc/10/30/36/564103036.db2.gz GSIBKHHJJOQXGZ-INIZCTEOSA-N 0 0 348.450 3.988 50 30 EHEARN Cn1c(Cc2cccs2)nnc1SCc1ccccc1C#N ZINC000007006383 564103059 /nfs/dbraw/zinc/10/30/59/564103059.db2.gz QXCPQVMKZSRSCN-UHFFFAOYSA-N 0 0 326.450 3.631 50 30 EHEARN N#Cc1ccc(-c2nc(-c3cn(-c4cccc(Cl)c4)nn3)no2)cc1 ZINC000065236189 564103287 /nfs/dbraw/zinc/10/32/87/564103287.db2.gz YDAROGAGPJDLHL-UHFFFAOYSA-N 0 0 348.753 3.509 50 30 EHEARN N#Cc1nc(-c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 ZINC000526052487 564108679 /nfs/dbraw/zinc/10/86/79/564108679.db2.gz TZQZFSQOTXHOFZ-UHFFFAOYSA-N 0 0 348.381 3.679 50 30 EHEARN N#CCc1ccc(NC(=O)N(Cc2ccco2)Cc2cccnc2)cc1 ZINC000089793997 564113844 /nfs/dbraw/zinc/11/38/44/564113844.db2.gz GRIPIFTWLZVTMP-UHFFFAOYSA-N 0 0 346.390 3.975 50 30 EHEARN C=CCn1c2ncn(C[C@H](C)c3ccccc3)c(=O)c2sc1=S ZINC000089904438 564115012 /nfs/dbraw/zinc/11/50/12/564115012.db2.gz ZWOFXQANIPPJTC-LBPRGKRZSA-N 0 0 343.477 3.979 50 30 EHEARN CC(=O)O[C@@H](C#CCN1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000252430630 564118403 /nfs/dbraw/zinc/11/84/03/564118403.db2.gz BHQFAKVIHHCRIZ-VXKWHMMOSA-N 0 0 348.446 3.916 50 30 EHEARN C#C[C@H](CC)Oc1ccc(COC(=O)CSc2ccncc2)cc1 ZINC000252484930 564119277 /nfs/dbraw/zinc/11/92/77/564119277.db2.gz GKSMENCRFNZJFA-MRXNPFEDSA-N 0 0 341.432 3.708 50 30 EHEARN COc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1ccco1 ZINC000252621034 564122846 /nfs/dbraw/zinc/12/28/46/564122846.db2.gz MRLYRZZAPBDVSY-UHFFFAOYSA-N 0 0 345.358 3.547 50 30 EHEARN Cc1ccc2[nH]c(=O)c(/C=C3\COc4ccc(C)cc4C3=O)cc2c1 ZINC000019926434 564130086 /nfs/dbraw/zinc/13/00/86/564130086.db2.gz IGMITUOGMIXCRZ-MHWRWJLKSA-N 0 0 331.371 3.804 50 30 EHEARN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCOC2(CCC2)C1 ZINC000161577655 564134332 /nfs/dbraw/zinc/13/43/32/564134332.db2.gz RDGCGBWIFUNGJH-CQSZACIVSA-N 0 0 345.468 3.868 50 30 EHEARN N#Cc1cccc(CC(=O)c2ccccc2I)c1 ZINC000002393047 564134454 /nfs/dbraw/zinc/13/44/54/564134454.db2.gz NCNUEMFKNRGOCX-UHFFFAOYSA-N 0 0 347.155 3.588 50 30 EHEARN C[C@@H]1CN(c2oc(Cc3cccc4ccccc43)nc2C#N)C[C@H](C)O1 ZINC000013115626 564135993 /nfs/dbraw/zinc/13/59/93/564135993.db2.gz PIWVNPGBSDWNSM-GASCZTMLSA-N 0 0 347.418 3.904 50 30 EHEARN O=C(NCc1nccn1-c1ccccc1)[C@H]1OCCc2ccccc21 ZINC000328586364 564136464 /nfs/dbraw/zinc/13/64/64/564136464.db2.gz BVTRZEVOEDUBTK-IBGZPJMESA-N 0 0 333.391 3.643 50 30 EHEARN Cc1nnc([C@@H]2CCCCN2C(=O)Nc2cccc(C(C)(F)F)c2)[nH]1 ZINC000328586450 564136517 /nfs/dbraw/zinc/13/65/17/564136517.db2.gz ZBMBCFJSELKOJF-AWEZNQCLSA-N 0 0 349.385 3.998 50 30 EHEARN Cc1ncsc1C(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000328587415 564136571 /nfs/dbraw/zinc/13/65/71/564136571.db2.gz PDRRZBXBEVJDRZ-AWEZNQCLSA-N 0 0 346.843 3.933 50 30 EHEARN Cc1cc(NCc2ccc(F)c(C#N)c2)ccc1C(=O)NC(C)C ZINC000124433725 564138105 /nfs/dbraw/zinc/13/81/05/564138105.db2.gz RMWMSNGPWRIYEX-UHFFFAOYSA-N 0 0 325.387 3.756 50 30 EHEARN COc1ccc([C@H](C)NC(=O)NC2CCC(F)(F)CC2)cc1OC ZINC000330521712 564139073 /nfs/dbraw/zinc/13/90/73/564139073.db2.gz HXFXLVMTTSMONT-NSHDSACASA-N 0 0 342.386 3.846 50 30 EHEARN C=C(Br)CN(C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000095972551 564143469 /nfs/dbraw/zinc/14/34/69/564143469.db2.gz GQLDHSKQLQDHMK-AWEZNQCLSA-N 0 0 336.208 3.546 50 30 EHEARN C=CCN(Cc1nnc(C2CC2)n1C1CC1)Cc1cccc(C#N)c1 ZINC000096008331 564144566 /nfs/dbraw/zinc/14/45/66/564144566.db2.gz HXIFYDUQTGRFHF-UHFFFAOYSA-N 0 0 333.439 3.550 50 30 EHEARN CCn1cc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)cn1 ZINC000096311154 564146717 /nfs/dbraw/zinc/14/67/17/564146717.db2.gz XYSYHVVLWWBKOF-YVMONPNESA-N 0 0 333.391 3.773 50 30 EHEARN COC(=O)c1ccc2c(c1)C(C)(C)/C(=C/C=C1\C=CC=CC1=O)N2C ZINC000334158675 564148883 /nfs/dbraw/zinc/14/88/83/564148883.db2.gz CRZMPBDMWJWPBA-TXRGQQFOSA-N 0 0 335.403 3.706 50 30 EHEARN C=C(CSc1ncnc2sc3c(c21)CCCC3)C(=O)OCC ZINC000097165091 564149507 /nfs/dbraw/zinc/14/95/07/564149507.db2.gz HSEQIJVVBZKOEY-UHFFFAOYSA-N 0 0 334.466 3.782 50 30 EHEARN CCCN1C(N)=C(c2nc3ccccc3s2)C(=O)[C@H]1c1ccccc1 ZINC000002646192 564151807 /nfs/dbraw/zinc/15/18/07/564151807.db2.gz WJQJMIJHMKKSOU-QGZVFWFLSA-N 0 0 349.459 3.960 50 30 EHEARN Cc1c2c(cc3c1OCN(C1CC1)C3)C(=O)/C(=C/c1cccs1)O2 ZINC000057176031 564153382 /nfs/dbraw/zinc/15/33/82/564153382.db2.gz ZGJIKDQCISOIFU-PXNMLYILSA-N 0 0 339.416 3.987 50 30 EHEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C)C1 ZINC000008142723 564163171 /nfs/dbraw/zinc/16/31/71/564163171.db2.gz LZTOQUVABBCKMG-KBPBESRZSA-N 0 0 345.512 3.948 50 30 EHEARN Cc1ccnc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 ZINC000069513715 564170021 /nfs/dbraw/zinc/17/00/21/564170021.db2.gz COFQXNZJIWXZKR-UHFFFAOYSA-N 0 0 333.347 3.686 50 30 EHEARN C=CC[C@@H](NC(=O)c1sccc1Br)c1ccncc1 ZINC000069742885 564171937 /nfs/dbraw/zinc/17/19/37/564171937.db2.gz KTEWQAXBRBJPKF-GFCCVEGCSA-N 0 0 337.242 3.953 50 30 EHEARN CCC(=O)Nc1cccc(C(=O)Nc2cc(C#N)ccc2SC)c1 ZINC000069811944 564172282 /nfs/dbraw/zinc/17/22/82/564172282.db2.gz MWFRCHINYHEWPW-UHFFFAOYSA-N 0 0 339.420 3.881 50 30 EHEARN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1csc2ccccc21 ZINC000071880102 564176353 /nfs/dbraw/zinc/17/63/53/564176353.db2.gz HVOHYNOUMNDHOY-GFCCVEGCSA-N 0 0 349.415 3.589 50 30 EHEARN O=C1c2ccccc2SC/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000096792531 1039175366 /nfs/dbraw/zinc/17/53/66/1039175366.db2.gz ZBDOLTMSZBZOFH-SSZFMOIBSA-N 0 0 337.444 3.895 50 30 EHEARN Cc1nnccc1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330152457 1040810902 /nfs/dbraw/zinc/81/09/02/1040810902.db2.gz MAUPSUUCSGGXPA-INIZCTEOSA-N 0 0 338.411 3.757 50 30 EHEARN Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc3c(c1)NC(=O)CO3)CCO2 ZINC000195307072 1042086179 /nfs/dbraw/zinc/08/61/79/1042086179.db2.gz UBUHMCKSFWZTAY-DHDCSXOGSA-N 0 0 349.386 3.683 50 30 EHEARN Cc1ccc(CN2CCN(N=Cc3cccc(F)c3)CC2)c(C)c1 ZINC000002215612 1137448790 /nfs/dbraw/zinc/44/87/90/1137448790.db2.gz WLIAFOXRNYOJCC-UHFFFAOYSA-N 0 0 325.431 3.594 50 30 EHEARN C#CCCC1(CCC(=O)NCc2ccc(N3CCCCC3)cc2)N=N1 ZINC000952879959 1137483158 /nfs/dbraw/zinc/48/31/58/1137483158.db2.gz AZTJHNVURZGGEX-UHFFFAOYSA-N 0 0 338.455 3.649 50 30 EHEARN C#CCCC1(CCC(=O)N2CC[C@](C)(c3cccc(F)c3)C2)N=N1 ZINC000952880348 1137483216 /nfs/dbraw/zinc/48/32/16/1137483216.db2.gz FRZDTEIIFBGDLG-SFHVURJKSA-N 0 0 327.403 3.671 50 30 EHEARN C=CCN(Cc1ccsc1)C(=O)CCC(=O)NC1CCCCCC1 ZINC000952960861 1137483854 /nfs/dbraw/zinc/48/38/54/1137483854.db2.gz CXDPUKFYXSSOCT-UHFFFAOYSA-N 0 0 348.512 3.882 50 30 EHEARN CC(C)(O)C#Cc1cccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000952976073 1137484504 /nfs/dbraw/zinc/48/45/04/1137484504.db2.gz YPLSVZNPJKCZBY-LJQANCHMSA-N 0 0 337.394 3.535 50 30 EHEARN O=C(/C=C/c1ccccc1OC(F)F)c1ccc2c(c1)OCCO2 ZINC000005129727 1138258655 /nfs/dbraw/zinc/25/86/55/1138258655.db2.gz JKFYDQBNPGOIPQ-FNORWQNLSA-N 0 0 332.302 3.955 50 30 EHEARN CCN(Cc1ccc(C#N)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000051406574 214092802 /nfs/dbraw/zinc/09/28/02/214092802.db2.gz CQNJYGOMPDIKJO-UHFFFAOYSA-N 0 0 342.330 3.660 50 30 EHEARN COc1ccc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC ZINC000004695473 210250797 /nfs/dbraw/zinc/25/07/97/210250797.db2.gz WIKLDHUVCBZCQS-OHBWFZAWSA-N 0 0 348.468 3.793 50 30 EHEARN C=CCS[C@@H](C)C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 ZINC000055166855 214281300 /nfs/dbraw/zinc/28/13/00/214281300.db2.gz XRPYEVBQMPMGLC-LBPRGKRZSA-N 0 0 336.457 3.680 50 30 EHEARN CC(=O)OC1(C#CCN2CCCC[C@H]2c2cccnc2)CCCCC1 ZINC000055214597 214289424 /nfs/dbraw/zinc/28/94/24/214289424.db2.gz WCUBXUJRFAEODR-FQEVSTJZSA-N 0 0 340.467 3.878 50 30 biogenic EHEARN N#Cc1ccccc1-c1ccc(Cn2nc(-c3ccco3)oc2=O)cc1 ZINC000055318919 214306563 /nfs/dbraw/zinc/30/65/63/214306563.db2.gz JCYYONVEBZYUKL-UHFFFAOYSA-N 0 0 343.342 3.683 50 30 EHEARN C=CCC1(CC=C)CCCCN1C(=O)COCC(F)(F)C(F)F ZINC000055281690 214300798 /nfs/dbraw/zinc/30/07/98/214300798.db2.gz JZZJQHURCYYYHF-UHFFFAOYSA-N 0 0 337.357 3.807 50 30 EHEARN O=C(N1CCCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097941873 219062422 /nfs/dbraw/zinc/06/24/22/219062422.db2.gz YNFSEVNMZVOJJG-UHFFFAOYSA-N 0 0 345.205 3.857 50 30 EHEARN CCOc1nc(OCC#N)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000004622648 210233196 /nfs/dbraw/zinc/23/31/96/210233196.db2.gz KERGNQZCXFTMSE-UHFFFAOYSA-N 0 0 347.378 3.642 50 30 EHEARN O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004520714 210214024 /nfs/dbraw/zinc/21/40/24/210214024.db2.gz AYGIHHJXYKHFDQ-GXTWGEPZSA-N 0 0 341.407 3.892 50 30 EHEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000004520101 210212704 /nfs/dbraw/zinc/21/27/04/210212704.db2.gz TYPMBCQLQGNZAL-KUHUBIRLSA-N 0 0 346.390 3.595 50 30 EHEARN N#CCc1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000100396528 219098110 /nfs/dbraw/zinc/09/81/10/219098110.db2.gz FQGAOGBOMXGSKI-LFIBNONCSA-N 0 0 337.766 3.663 50 30 EHEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000004488860 210202214 /nfs/dbraw/zinc/20/22/14/210202214.db2.gz FXJDXNRQVKCUJR-GFCCVEGCSA-N 0 0 347.842 3.985 50 30 EHEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1OC ZINC000004479347 210198918 /nfs/dbraw/zinc/19/89/18/210198918.db2.gz CJNUOILGXQGZQJ-UHFFFAOYSA-N 0 0 342.420 3.768 50 30 EHEARN O=C(C1CC1)N1CCC(N=Nc2ccccc2C(F)(F)F)CC1 ZINC000064305929 214781626 /nfs/dbraw/zinc/78/16/26/214781626.db2.gz VDASTEHYGZFJBX-UHFFFAOYSA-N 0 0 325.334 3.506 50 30 EHEARN N#Cc1c2c(sc1NC=C1N=C(c3ccccc3)OC1=O)CCCC2 ZINC000100839832 219108491 /nfs/dbraw/zinc/10/84/91/219108491.db2.gz GALNFFMNWPIMJZ-PTNGSMBKSA-N 0 0 349.415 3.755 50 30 EHEARN O=C1c2ccccc2C(=O)C1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000100945589 219111959 /nfs/dbraw/zinc/11/19/59/219111959.db2.gz ZPQFMUXGKTUOBF-UHFFFAOYSA-N 0 0 328.711 3.623 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004385017 210184420 /nfs/dbraw/zinc/18/44/20/210184420.db2.gz WLSUHLIOZHPFGW-CQSZACIVSA-N 0 0 335.382 3.882 50 30 EHEARN C=CCN1CCN(C(=O)Nc2ccccc2Cl)c2cccnc21 ZINC000064929519 214814878 /nfs/dbraw/zinc/81/48/78/214814878.db2.gz NFRQOHIOKCHGRM-UHFFFAOYSA-N 0 0 328.803 3.780 50 30 EHEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO ZINC000003833823 210078307 /nfs/dbraw/zinc/07/83/07/210078307.db2.gz ZESRJSPZRDMNHY-YFWFAHHUSA-N 0 0 330.468 3.696 50 30 endogenous,in-man EHEARN COc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccccc2)cc1 ZINC000003399894 210028556 /nfs/dbraw/zinc/02/85/56/210028556.db2.gz XKDFVFNRTGGNFM-CYBMUJFWSA-N 0 0 336.420 3.947 50 30 EHEARN N#CCCn1cc(C(=O)N2CCCCC2)c(-c2cc3ccccc3o2)n1 ZINC000003372266 210021596 /nfs/dbraw/zinc/02/15/96/210021596.db2.gz SLMPFCQSBRGVQC-UHFFFAOYSA-N 0 0 348.406 3.836 50 30 EHEARN COc1ccc(-c2cc(-c3cccnc3)nc(N)c2C#N)c(OC)c1C ZINC000067559329 215162101 /nfs/dbraw/zinc/16/21/01/215162101.db2.gz DNQJATNVWWRAAH-UHFFFAOYSA-N 0 0 346.390 3.590 50 30 EHEARN C=CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 ZINC000002987757 209950811 /nfs/dbraw/zinc/95/08/11/209950811.db2.gz WOASBIHGHAFVIJ-UHFFFAOYSA-N 0 0 346.477 3.857 50 30 EHEARN COc1cc(-c2cc(-c3ccc(C)cc3)nc(N)c2C#N)ccc1O ZINC000067983099 215266494 /nfs/dbraw/zinc/26/64/94/215266494.db2.gz FSBLSTKIZOGEJC-UHFFFAOYSA-N 0 0 331.375 3.892 50 30 EHEARN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(F)cc2Cl)c1 ZINC000103504050 219308179 /nfs/dbraw/zinc/30/81/79/219308179.db2.gz OMXSWNJENWVGOQ-CQSZACIVSA-N 0 0 330.746 3.749 50 30 EHEARN CC(=O)/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000038600323 213216187 /nfs/dbraw/zinc/21/61/87/213216187.db2.gz VHHOJGYKAPSCLI-YVLHZVERSA-N 0 0 349.346 3.687 50 30 EHEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1cccs1 ZINC000000541708 209656427 /nfs/dbraw/zinc/65/64/27/209656427.db2.gz QBLGTWRSQKJKFM-SXGWCWSVSA-N 0 0 349.367 3.979 50 30 EHEARN Cc1cc([O-])c(C[NH+](C)C)c2c1C(=O)/C(=C\c1ccc(F)cc1)O2 ZINC000037857560 213171627 /nfs/dbraw/zinc/17/16/27/213171627.db2.gz IVLGOVLZKJMXOC-CXUHLZMHSA-N 0 0 327.355 3.518 50 30 EHEARN Cc1sc2nc(SCc3cccc(C#N)c3)n(C)c(=O)c2c1C ZINC000000471886 209623560 /nfs/dbraw/zinc/62/35/60/209623560.db2.gz PAUAMNFWPALAOC-UHFFFAOYSA-N 0 0 341.461 3.776 50 30 EHEARN Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccccc1 ZINC000000451831 209609058 /nfs/dbraw/zinc/60/90/58/209609058.db2.gz NXJPXILVASNCLY-YDZHTSKRSA-N 0 0 345.406 3.502 50 30 EHEARN C=CCNS(=O)(=O)c1cc(C(C)(C)C)ccc1OCCCC ZINC000036638839 213106234 /nfs/dbraw/zinc/10/62/34/213106234.db2.gz AOACDEVRJVWIFL-UHFFFAOYSA-N 0 0 325.474 3.627 50 30 EHEARN Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000033352224 212930164 /nfs/dbraw/zinc/93/01/64/212930164.db2.gz PUILUNCJTPYHAO-MQIUFUGCSA-N 0 0 341.411 3.600 50 30 EHEARN N#Cc1cc(NC(=O)c2ccccc2F)ccc1OCC(F)(F)F ZINC000032930686 212875738 /nfs/dbraw/zinc/87/57/38/212875738.db2.gz ULBBZNWBFNQQLH-UHFFFAOYSA-N 0 0 338.260 3.891 50 30 EHEARN C[C@H](CC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000072277256 216103407 /nfs/dbraw/zinc/10/34/07/216103407.db2.gz FMHJJDAXMMFGOX-QGZVFWFLSA-N 0 0 347.462 3.837 50 30 EHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2c(C)cc(C)cc2C)C1=O ZINC000000299878 209523119 /nfs/dbraw/zinc/52/31/19/209523119.db2.gz XASYZXRLRQZLEX-JOCHJYFZSA-N 0 0 349.430 3.605 50 30 EHEARN O=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CCCCC1 ZINC000000203022 209482332 /nfs/dbraw/zinc/48/23/32/209482332.db2.gz GRJXNLDOFBNMHM-QOCHGBHMSA-N 0 0 337.398 3.737 50 30 EHEARN O=C1CCCC2=Nc3nc(-c4ccccc4)nn3[C@H](c3ccccc3)C12 ZINC000000065671 209396816 /nfs/dbraw/zinc/39/68/16/209396816.db2.gz GFGCVVUOYGVGKO-LJQANCHMSA-N 0 0 342.402 3.967 50 30 EHEARN Cc1ccc(C(=O)NC(C)C)cc1-n1ccnc1-c1cccc(C#N)c1 ZINC000072436023 216230765 /nfs/dbraw/zinc/23/07/65/216230765.db2.gz VPAMEZTYWXMFDA-UHFFFAOYSA-N 0 0 344.418 3.858 50 30 EHEARN N#Cc1ccc(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)cc1 ZINC000223293372 241629764 /nfs/dbraw/zinc/62/97/64/241629764.db2.gz DATMWKSKUSRXEK-IBGZPJMESA-N 0 0 331.350 3.612 50 30 EHEARN N#Cc1cccc(CNC(=O)C[C@H](c2cccs2)n2cccc2)c1 ZINC000225581048 241934579 /nfs/dbraw/zinc/93/45/79/241934579.db2.gz VTEWTOYQZNGPLI-QGZVFWFLSA-N 0 0 335.432 3.717 50 30 EHEARN COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)cc1 ZINC000021625017 212234688 /nfs/dbraw/zinc/23/46/88/212234688.db2.gz YWYDEOOEBISQBC-FQEVSTJZSA-N 0 0 334.419 3.863 50 30 EHEARN C=CCSc1ccccc1NC(=O)CN1CCn2cccc2[C@H]1C ZINC000021579445 212232679 /nfs/dbraw/zinc/23/26/79/212232679.db2.gz YFJKIWXLHNFYPP-OAHLLOKOSA-N 0 0 341.480 3.782 50 30 EHEARN C[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)C1 ZINC000020518113 212142376 /nfs/dbraw/zinc/14/23/76/212142376.db2.gz QZDSHNHVLIJZHD-CCOVPTLTSA-N 0 0 339.391 3.833 50 30 aggregator,biogenic EHEARN Cc1ccc(CN2CCN(/N=C/c3cccc(Cl)c3)CC2)cc1 ZINC000020190790 212109437 /nfs/dbraw/zinc/10/94/37/212109437.db2.gz BBCJATHFFDATNK-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN Cc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000019791211 212068028 /nfs/dbraw/zinc/06/80/28/212068028.db2.gz NAWCQSKTDDOFJO-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN Fc1cccc(Cl)c1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000019419354 212027184 /nfs/dbraw/zinc/02/71/84/212027184.db2.gz XKYIQJRBGVWJGF-FYJGNVAPSA-N 0 0 331.822 3.631 50 30 EHEARN CC(C[C@H]1CC(C)(C)OC1=O)N=Nc1nc(-c2ccccc2)cs1 ZINC000017249205 211961412 /nfs/dbraw/zinc/96/14/12/211961412.db2.gz SQMFKXYGJMHGHJ-PVGUKEHMSA-N 0 0 343.452 3.752 50 30 EHEARN Cc1ncc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000078938131 217153114 /nfs/dbraw/zinc/15/31/14/217153114.db2.gz DBXGXMCGZGXFIQ-UHFFFAOYSA-N 0 0 340.330 3.664 50 30 EHEARN Cc1nc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)n(C)c2)cs1 ZINC000016235029 211890957 /nfs/dbraw/zinc/89/09/57/211890957.db2.gz DEDZSXZXPPOHST-UHFFFAOYSA-N 0 0 336.420 3.775 50 30 EHEARN C=CCNc1ncnc2sc(C(=O)N3CCCCCC3)c(C)c21 ZINC000015001244 211784689 /nfs/dbraw/zinc/78/46/89/211784689.db2.gz YDSASUZLVSIXJH-UHFFFAOYSA-N 0 0 330.457 3.614 50 30 EHEARN CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccccc1C#N ZINC000014186026 211703787 /nfs/dbraw/zinc/70/37/87/211703787.db2.gz ZTERVPHQWYBNRU-ZHACJKMWSA-N 0 0 333.416 3.840 50 30 EHEARN COc1ccc(OC)c(/C=C2/S/C(=N/c3ccccc3)NC2=O)c1 ZINC000013602853 211590500 /nfs/dbraw/zinc/59/05/00/211590500.db2.gz PKRVZBCYVMQLMA-LFIBNONCSA-N 0 0 340.404 3.595 50 30 EHEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccco2)C1=O ZINC000013523344 211571464 /nfs/dbraw/zinc/57/14/64/211571464.db2.gz CLGPSOLUJLXRCT-GZTJUZNOSA-N 0 0 337.375 3.774 50 30 EHEARN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(O)c1 ZINC000013476969 211565210 /nfs/dbraw/zinc/56/52/10/211565210.db2.gz XZRPDYCCQQQNBU-MHWRWJLKSA-N 0 0 340.404 3.683 50 30 EHEARN N#Cc1ccc(OS(=O)(=O)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000012853921 211469319 /nfs/dbraw/zinc/46/93/19/211469319.db2.gz XTTIHDFJIJMWAR-UHFFFAOYSA-N 0 0 346.166 3.772 50 30 EHEARN N#Cc1ccc(O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c(Cl)c1 ZINC000012482374 211391945 /nfs/dbraw/zinc/39/19/45/211391945.db2.gz FKKPPYQDSQBYAV-QGZVFWFLSA-N 0 0 344.773 3.749 50 30 EHEARN O=C1C[C@H](c2ccco2)CC2=Nc3nonc3N[C@H](c3ccccc3)C12 ZINC000012390566 211366856 /nfs/dbraw/zinc/36/68/56/211366856.db2.gz IYQYGSCWXNNZBC-SJKOYZFVSA-N 0 0 348.362 3.642 50 30 EHEARN COc1ccc(C(=O)ON=C2CCCCC2)cc1Br ZINC000012137212 211301207 /nfs/dbraw/zinc/30/12/07/211301207.db2.gz QMGVVPBVNQCTFI-UHFFFAOYSA-N 0 0 326.190 3.935 50 30 EHEARN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1 ZINC000012032561 211282138 /nfs/dbraw/zinc/28/21/38/211282138.db2.gz RIXJADXLVHRPMI-GDNBJRDFSA-N 0 0 339.376 3.795 50 30 EHEARN N#Cc1ccc(COc2ccccc2C(=O)N2CCCCC2)c(F)c1 ZINC000010857269 211193069 /nfs/dbraw/zinc/19/30/69/211193069.db2.gz HKXWVMNAZIVAJI-UHFFFAOYSA-N 0 0 338.382 3.902 50 30 EHEARN COc1ccccc1-c1c(C#N)c(NC(C)=O)nc2c1CCCCC2 ZINC000009434853 211082497 /nfs/dbraw/zinc/08/24/97/211082497.db2.gz NEYFKMFUAPMWLN-UHFFFAOYSA-N 0 0 335.407 3.856 50 30 EHEARN CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1C#N ZINC000009363841 211073342 /nfs/dbraw/zinc/07/33/42/211073342.db2.gz NBCULZNLLXOFFS-INIZCTEOSA-N 0 0 325.437 3.568 50 30 EHEARN COc1ccc2nc(NC(=O)c3cc(OC)cc(OC)c3)sc2c1 ZINC000009111378 211040643 /nfs/dbraw/zinc/04/06/43/211040643.db2.gz BIJQFKQYDPVIHM-UHFFFAOYSA-N 0 0 344.392 3.958 50 30 EHEARN Cc1nc(CCCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cs1 ZINC000095408472 218344842 /nfs/dbraw/zinc/34/48/42/218344842.db2.gz WVFULYHCEZITEK-HNNXBMFYSA-N 0 0 333.844 3.809 50 30 EHEARN N#Cc1csc(CNc2ccc(-c3nnc4n3CCCC4)cc2)c1 ZINC000095429082 218371727 /nfs/dbraw/zinc/37/17/27/218371727.db2.gz IMFIRTUJFDMZEP-UHFFFAOYSA-N 0 0 335.436 3.827 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1N(CCCO)Cc1cccc(Cl)c1 ZINC000095429766 218373035 /nfs/dbraw/zinc/37/30/35/218373035.db2.gz WJWZWNOKBRDYJQ-UHFFFAOYSA-N 0 0 345.786 3.509 50 30 EHEARN CC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cc(C#N)ccc1C ZINC000095963797 218468494 /nfs/dbraw/zinc/46/84/94/218468494.db2.gz IRLCNLGYGWDPDQ-QGZVFWFLSA-N 0 0 340.448 3.787 50 30 EHEARN CC(=NS(=O)(=O)c1ccc(C)cc1)Nc1c(C)cc(O)cc1C ZINC000006250915 210606169 /nfs/dbraw/zinc/60/61/69/210606169.db2.gz CSXZJAHTTNMXOJ-UHFFFAOYSA-N 0 0 332.425 3.537 50 30 EHEARN N#Cc1ccccc1C=CC(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000096940975 218904680 /nfs/dbraw/zinc/90/46/80/218904680.db2.gz RWKUJRFOFXOWMJ-KHPPLWFESA-N 0 0 344.414 3.693 50 30 EHEARN C=CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000005168671 210405255 /nfs/dbraw/zinc/40/52/55/210405255.db2.gz QNTJLDLYMNMIRL-UHFFFAOYSA-N 0 0 330.359 3.942 50 30 EHEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OC ZINC000005128373 210396429 /nfs/dbraw/zinc/39/64/29/210396429.db2.gz ITKDWVRGPMVBAC-UHFFFAOYSA-N 0 0 328.751 3.820 50 30 EHEARN O=C(C=CNc1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000004982119 210348790 /nfs/dbraw/zinc/34/87/90/210348790.db2.gz LZOZNMOICCSNSN-AATRIKPKSA-N 0 0 337.129 3.759 50 30 EHEARN CCn1c(SCC#N)nc2scc(-c3ccccc3)c2c1=O ZINC000003507512 208562968 /nfs/dbraw/zinc/56/29/68/208562968.db2.gz SHYAWVNKXMLTQT-UHFFFAOYSA-N 0 0 327.434 3.761 50 30 EHEARN O=C(C=CNc1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000004905354 210318925 /nfs/dbraw/zinc/31/89/25/210318925.db2.gz RDSREUCDDPLFPK-BQYQJAHWSA-N 0 0 346.180 3.986 50 30 EHEARN N#CC1(C(=O)Nc2ccc(SC3CCCC3)cc2)CCOCC1 ZINC000171762700 257955122 /nfs/dbraw/zinc/95/51/22/257955122.db2.gz TWWHKSODBIQCDX-UHFFFAOYSA-N 0 0 330.453 3.980 50 30 EHEARN N#C[C@@H]1CCCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)C1 ZINC000426549904 257963429 /nfs/dbraw/zinc/96/34/29/257963429.db2.gz JTTDUDNMCNQSHW-KRWDZBQOSA-N 0 0 334.423 3.634 50 30 EHEARN CN(C)c1c(Cl)cccc1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000328595974 258043156 /nfs/dbraw/zinc/04/31/56/258043156.db2.gz MFCSDQFHOUUJJR-UHFFFAOYSA-N 0 0 347.850 3.554 50 30 EHEARN Cc1cc2nc(C)c(CCC(=O)Nc3cnc(C)s3)c(C)n2n1 ZINC000330033244 258002455 /nfs/dbraw/zinc/00/24/55/258002455.db2.gz YFIMJKMJHNTBOT-UHFFFAOYSA-N 0 0 329.429 3.640 50 30 EHEARN O=C(CS(=O)(=O)[C@@H]1CCCc2ccccc21)NC(C1CC1)C1CC1 ZINC000330031788 258003010 /nfs/dbraw/zinc/00/30/10/258003010.db2.gz DHYCIERGVGVHOK-QGZVFWFLSA-N 0 0 347.480 3.624 50 30 EHEARN C=C(C)Cn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21 ZINC000002721556 258047053 /nfs/dbraw/zinc/04/70/53/258047053.db2.gz KLVKXILGHSVBML-UHFFFAOYSA-N 0 0 347.462 3.904 50 30 EHEARN C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2OC)c1 ZINC000008041573 258018085 /nfs/dbraw/zinc/01/80/85/258018085.db2.gz KNCKFTWFFOHYJC-AWEZNQCLSA-N 0 0 327.380 3.666 50 30 EHEARN COc1cc(/C=C/C(=O)NC2CCCCCCC2)ccc1OCC#N ZINC000006790043 258052356 /nfs/dbraw/zinc/05/23/56/258052356.db2.gz OTCGZVTXGUGHSP-ZRDIBKRKSA-N 0 0 342.439 3.840 50 30 EHEARN C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1 ZINC000069657079 258063824 /nfs/dbraw/zinc/06/38/24/258063824.db2.gz DISYDIPESQDUAN-AWEZNQCLSA-N 0 0 325.437 3.989 50 30 EHEARN C[C@@H]1Cc2nnc(-c3ccc(Br)cc3)cc2C(=NO)C1 ZINC000245240505 258073034 /nfs/dbraw/zinc/07/30/34/258073034.db2.gz XTVNPIPUPOMIEI-SECBINFHSA-N 0 0 332.201 3.667 50 30 EHEARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(C#N)cc1 ZINC000010899265 135689276 /nfs/dbraw/zinc/68/92/76/135689276.db2.gz YBYMWIQTYCOEMG-UHFFFAOYSA-N 0 0 333.435 3.821 50 30 EHEARN CSc1ccc(/C=N\N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000013113987 135699555 /nfs/dbraw/zinc/69/95/55/135699555.db2.gz MHRKCTISDJUCTG-HKWRFOASSA-N 0 0 325.481 3.873 50 30 EHEARN COc1ccccc1[C@H](C#N)NC(=O)CCCc1c[nH]c2ccccc12 ZINC000069325127 262532961 /nfs/dbraw/zinc/53/29/61/262532961.db2.gz RNPHSVJYBUTXAA-IBGZPJMESA-N 0 0 347.418 3.880 50 30 EHEARN C=CCOc1ccccc1CN(CC)C(=O)c1ccnc(C(C)C)n1 ZINC000055325441 519068456 /nfs/dbraw/zinc/06/84/56/519068456.db2.gz KPSNYNXBWJDKMV-UHFFFAOYSA-N 0 0 339.439 3.827 50 30 EHEARN C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccon1 ZINC000095397759 519187392 /nfs/dbraw/zinc/18/73/92/519187392.db2.gz DCRJAYQWDWBNOA-UHFFFAOYSA-N 0 0 342.424 3.632 50 30 EHEARN CCCCCCCCCS(=O)(=O)N/N=C/c1ccc(F)cc1 ZINC000003151486 520029449 /nfs/dbraw/zinc/02/94/49/520029449.db2.gz ALCBCSCJIKCRFS-NBVRZTHBSA-N 0 0 328.453 3.830 50 30 EHEARN COCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000041538072 522790504 /nfs/dbraw/zinc/79/05/04/522790504.db2.gz DKMOVRPGVCFIHH-SNVBAGLBSA-N 0 0 341.219 3.940 50 30 EHEARN CCn1nccc1C(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006490115 523709080 /nfs/dbraw/zinc/70/90/80/523709080.db2.gz DDMMTQZZFBNCOL-SOFGYWHQSA-N 0 0 337.335 3.967 50 30 EHEARN N#CCCn1cc(C(=O)N2CCCCC2)c(-c2cccc(Cl)c2)n1 ZINC000004510915 526468208 /nfs/dbraw/zinc/46/82/08/526468208.db2.gz OPMVOXIVYBKISJ-UHFFFAOYSA-N 0 0 342.830 3.743 50 30 EHEARN N=C(NOC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004679883 526809663 /nfs/dbraw/zinc/80/96/63/526809663.db2.gz NBUFTXJVYZIVNJ-UHFFFAOYSA-N 0 0 330.387 3.760 50 30 EHEARN CNC(=S)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000459810 563325877 /nfs/dbraw/zinc/32/58/77/563325877.db2.gz JDCUNOYLKVDCGZ-REZTVBANSA-N 0 0 328.224 3.681 50 30 EHEARN N#C[C@@H](Nc1ccc(I)cc1)c1ccccc1 ZINC000000102535 563226231 /nfs/dbraw/zinc/22/62/31/563226231.db2.gz SQHXNNHOERUWAE-CQSZACIVSA-N 0 0 334.160 3.968 50 30 EHEARN COc1ccc(/C=N/Cc2cc(OC)c(OC)c(OC)c2)cc1C ZINC000000110927 563229731 /nfs/dbraw/zinc/22/97/31/563229731.db2.gz HFZLNNFMWDTJTB-RGVLZGJSSA-N 0 0 329.396 3.649 50 30 EHEARN COc1cc(C(=O)C=CNc2ccccc2F)cc(OC)c1OC ZINC000000314797 563282439 /nfs/dbraw/zinc/28/24/39/563282439.db2.gz PBUISZDJPZWNHE-CMDGGOBGSA-N 0 0 331.343 3.660 50 30 EHEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COC(C)=O ZINC000002780668 563450866 /nfs/dbraw/zinc/45/08/66/563450866.db2.gz ARDMODZKQCRAJV-GZTJUZNOSA-N 0 0 336.387 3.971 50 30 EHEARN CCCCCNc1nc(N2CCCCC2)c(C#N)c2c1CN(C)CC2 ZINC000005735158 563548141 /nfs/dbraw/zinc/54/81/41/563548141.db2.gz FDNJZFMQTHKONP-UHFFFAOYSA-N 0 0 341.503 3.534 50 30 EHEARN O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(F)cc1F ZINC000008377370 563628379 /nfs/dbraw/zinc/62/83/79/563628379.db2.gz YVPMVUNIQNQHJY-UHFFFAOYSA-N 0 0 337.123 3.800 50 30 EHEARN Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000008684998 563635364 /nfs/dbraw/zinc/63/53/64/563635364.db2.gz LTPHHJOLUDXVHZ-CNHKJKLMSA-N 0 0 341.267 3.568 50 30 EHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2[nH]1 ZINC000032900384 563784974 /nfs/dbraw/zinc/78/49/74/563784974.db2.gz BVNCRTGAZXBQNH-UHFFFAOYSA-N 0 0 342.320 3.968 50 30 EHEARN Cc1c(C(=O)Nc2ccc(OCC#N)cc2)cnn1-c1cccc(C)c1 ZINC000029458681 563906352 /nfs/dbraw/zinc/90/63/52/563906352.db2.gz UDFIPMCUQWGORQ-UHFFFAOYSA-N 0 0 346.390 3.644 50 30 EHEARN N#Cc1ccc(-c2cccc(CN[C@@H](C(N)=O)c3ccccc3)c2)s1 ZINC000072292520 563910192 /nfs/dbraw/zinc/91/01/92/563910192.db2.gz NZCAICCIHNDZOW-LJQANCHMSA-N 0 0 347.443 3.603 50 30 EHEARN CN(CC#N)C(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000060294454 563922436 /nfs/dbraw/zinc/92/24/36/563922436.db2.gz INMNCTXPIZGHBG-FQEVSTJZSA-N 0 0 349.459 3.779 50 30 EHEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O ZINC000013655302 563931494 /nfs/dbraw/zinc/93/14/94/563931494.db2.gz AMWBRUXPWNKVBK-VQIMKDEXSA-N 0 0 338.359 3.552 50 30 EHEARN N#Cc1c(N)nc(-c2cc(F)c(F)c(F)c2)cc1-c1cccc(O)c1 ZINC000071422402 563934907 /nfs/dbraw/zinc/93/49/07/563934907.db2.gz DOQCLDQUKAOUBA-UHFFFAOYSA-N 0 0 341.292 3.992 50 30 EHEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2ccc(C)cc2C)c1 ZINC000057523340 563935569 /nfs/dbraw/zinc/93/55/69/563935569.db2.gz VNXXEMZTSHOGCK-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN N#C[C@@H](C(=O)Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000058174497 563938935 /nfs/dbraw/zinc/93/89/35/563938935.db2.gz FCNJSZRZHAEMJK-ZDUSSCGKSA-N 0 0 325.318 3.850 50 30 EHEARN Cc1n[nH]c(C)c1-c1cc(-c2ccc(O)cc2Cl)c(C#N)c(N)n1 ZINC000071589680 563949872 /nfs/dbraw/zinc/94/98/72/563949872.db2.gz WRYVLNSSKHGSIM-UHFFFAOYSA-N 0 0 339.786 3.568 50 30 EHEARN C[C@H](C#N)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000096408462 563950227 /nfs/dbraw/zinc/95/02/27/563950227.db2.gz XAWYNNJWJAYBSK-GFCCVEGCSA-N 0 0 339.782 3.893 50 30 EHEARN CCn1ncc(/C=C2/CCC/C(=C/c3cnn(CC)c3C)C2=O)c1C ZINC000033249022 563965948 /nfs/dbraw/zinc/96/59/48/563965948.db2.gz MTFAEOVMSIWPAS-APGQMXJTSA-N 0 0 338.455 3.956 50 30 EHEARN Fc1cccc(Cl)c1C=N[N-]c1nc2nc3ccccc3c-2[nH][nH+]1 ZINC000006243914 563981186 /nfs/dbraw/zinc/98/11/86/563981186.db2.gz JTVMHROZTHNLTD-UFWORHAWSA-N 0 0 340.749 3.745 50 30 EHEARN COc1ccc2[nH]c(-c3cc(-c4ccc[nH]4)nc(N)c3C#N)c(C)c2c1 ZINC000071771825 563983085 /nfs/dbraw/zinc/98/30/85/563983085.db2.gz FIUDHCAUDUNTFP-UHFFFAOYSA-N 0 0 343.390 3.996 50 30 EHEARN C(=N/c1ccc2c(c1)OCCO2)\c1ccc(OC2CSC2)cc1 ZINC000000132525 563987003 /nfs/dbraw/zinc/98/70/03/563987003.db2.gz ISCWPDZMNRRJDZ-VXLYETTFSA-N 0 0 327.405 3.703 50 30 EHEARN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000241231012 563995851 /nfs/dbraw/zinc/99/58/51/563995851.db2.gz KRFXFFSVIMXGIA-INIZCTEOSA-N 0 0 338.455 3.941 50 30 EHEARN C#C[C@](O)(c1ccc(C)cc1)[C@@H]1CC[C@H]1[C@](O)(C#C)c1ccc(C)cc1 ZINC000248132648 563996417 /nfs/dbraw/zinc/99/64/17/563996417.db2.gz BHRAKBJCLIOPRY-LWSSLDFYSA-N 0 0 344.454 3.671 50 30 EHEARN CC(=O)c1ccc(C#N)c(SCC(=O)Nc2ccccc2Cl)n1 ZINC000000124264 564013322 /nfs/dbraw/zinc/01/33/22/564013322.db2.gz TVBHGWOXYWXDGA-UHFFFAOYSA-N 0 0 345.811 3.540 50 30 EHEARN CCCCN1C(N)=C(c2nc3ccccc3[nH]2)C(=O)[C@@H]1c1ccccc1 ZINC000103085957 564021357 /nfs/dbraw/zinc/02/13/57/564021357.db2.gz MBSXQUTYBAPVGW-SFHVURJKSA-N 0 0 346.434 3.616 50 30 EHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1ccc(Cl)cc1 ZINC000103503833 564022539 /nfs/dbraw/zinc/02/25/39/564022539.db2.gz KVUHGRFMNZQQPJ-KXKDPZRNSA-N 0 0 330.815 3.511 50 30 EHEARN COc1ccccc1CC(C)=CC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000104181118 564023744 /nfs/dbraw/zinc/02/37/44/564023744.db2.gz JVBHPLVHBGJYDV-HMVFGEFZSA-N 0 0 326.421 3.825 50 30 EHEARN Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 ZINC000047168496 564025814 /nfs/dbraw/zinc/02/58/14/564025814.db2.gz ZZQKPDHYRAOBEV-IZZDOVSWSA-N 0 0 343.386 3.767 50 30 EHEARN CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCOC1 ZINC000106943286 564026734 /nfs/dbraw/zinc/02/67/34/564026734.db2.gz SCOAQCMTDCDTQD-MRXNPFEDSA-N 0 0 337.379 3.603 50 30 EHEARN O=C(NCC#Cc1ccccc1)c1cccnc1Nc1cccc(F)c1 ZINC000045060873 564028095 /nfs/dbraw/zinc/02/80/95/564028095.db2.gz ZSFITDKVUXTIGG-UHFFFAOYSA-N 0 0 345.377 3.746 50 30 EHEARN Cc1csc(C(C#N)=C([O-])c2oc(Br)cc2C)n1 ZINC000048520483 564031940 /nfs/dbraw/zinc/03/19/40/564031940.db2.gz JUGKSRGMMFZPLX-MRVPVSSYSA-N 0 0 325.187 3.606 50 30 EHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2Cl)NC(=O)N1 ZINC000005785174 564052170 /nfs/dbraw/zinc/05/21/70/564052170.db2.gz IVINMBVBTHQEIT-INIZCTEOSA-N 0 0 326.783 3.851 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257345241 564055808 /nfs/dbraw/zinc/05/58/08/564055808.db2.gz MSGQPOBWYUXEOQ-GFGYMJMHSA-N 0 0 332.484 3.727 50 30 EHEARN C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3/C(=N\O)C[C@@]12C ZINC000257355814 564055913 /nfs/dbraw/zinc/05/59/13/564055913.db2.gz CVXAFNPPFCWCEW-AINUFRLDSA-N 0 0 349.515 3.827 50 30 EHEARN C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000058265010 564065231 /nfs/dbraw/zinc/06/52/31/564065231.db2.gz CXMWNBZXSUOVHY-KBPBESRZSA-N 0 0 344.484 3.699 50 30 EHEARN C=CCO[C@H](C)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000058014538 564065263 /nfs/dbraw/zinc/06/52/63/564065263.db2.gz ZQACXCCXQIKLRZ-CQSZACIVSA-N 0 0 328.437 3.904 50 30 EHEARN Cc1cc(C(=O)OCC#Cc2ccccc2)c(C)n1-c1cccnc1 ZINC000059831151 564065913 /nfs/dbraw/zinc/06/59/13/564065913.db2.gz HCGSSZCVKWSZAF-UHFFFAOYSA-N 0 0 330.387 3.698 50 30 EHEARN Cc1cccc2c1ncc(C#N)c2N1CCN(C)c2ccccc2C1 ZINC000084230246 564067528 /nfs/dbraw/zinc/06/75/28/564067528.db2.gz BSJVKZZBLSINBQ-UHFFFAOYSA-N 0 0 328.419 3.871 50 30 EHEARN N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000084581828 564068802 /nfs/dbraw/zinc/06/88/02/564068802.db2.gz HXVINUCHMLWXKO-DOTOQJQBSA-N 0 0 336.357 3.585 50 30 EHEARN C=CCOc1ccc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1OC ZINC000006646145 564070818 /nfs/dbraw/zinc/07/08/18/564070818.db2.gz YYJUFGAOJWNKSQ-UHFFFAOYSA-N 0 0 342.420 3.842 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC000086299525 564075541 /nfs/dbraw/zinc/07/55/41/564075541.db2.gz XRTYBAFMEVXLIG-NSHDSACASA-N 0 0 346.337 3.918 50 30 EHEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000025062442 564078939 /nfs/dbraw/zinc/07/89/39/564078939.db2.gz BOIFCWUJHBTDDC-UHFFFAOYSA-N 0 0 338.432 3.925 50 30 EHEARN Cc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)n[nH]2)cc1 ZINC000012934184 564079125 /nfs/dbraw/zinc/07/91/25/564079125.db2.gz KDGXJRGPMDXIPV-UHFFFAOYSA-N 0 0 326.331 3.586 50 30 EHEARN O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2 ZINC000075126559 564080379 /nfs/dbraw/zinc/08/03/79/564080379.db2.gz WTCNROCVGKPIDG-JHMJBTLWSA-N 0 0 334.331 3.542 50 30 EHEARN COc1cc(C#N)ccc1O[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000075147073 564080749 /nfs/dbraw/zinc/08/07/49/564080749.db2.gz DPZGCKVVNUTMBM-CYBMUJFWSA-N 0 0 335.363 3.681 50 30 EHEARN CCn1cc(C(=O)OCCOc2ccc(C#N)cc2)c2ccccc21 ZINC000016402815 564084822 /nfs/dbraw/zinc/08/48/22/564084822.db2.gz OLTZSIMODQBSRR-UHFFFAOYSA-N 0 0 334.375 3.769 50 30 EHEARN Cc1noc([C@@H]2CCCN(c3cc(C#N)ccc3C(F)(F)F)C2)n1 ZINC000122045458 564084874 /nfs/dbraw/zinc/08/48/74/564084874.db2.gz IIDSLEHTUFBYDI-GFCCVEGCSA-N 0 0 336.317 3.653 50 30 EHEARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(C#N)c1 ZINC000006401244 564085561 /nfs/dbraw/zinc/08/55/61/564085561.db2.gz OBJXAICWADGALR-NSHDSACASA-N 0 0 330.771 3.626 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ncccc1C(F)(F)F ZINC000092345197 564088957 /nfs/dbraw/zinc/08/89/57/564088957.db2.gz KVYDENBPWCVTRV-UHFFFAOYSA-N 0 0 345.324 3.800 50 30 EHEARN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000075602383 564089702 /nfs/dbraw/zinc/08/97/02/564089702.db2.gz GFGUJNNHBRIQSL-ZDUSSCGKSA-N 0 0 334.851 3.520 50 30 EHEARN Cc1nc([C@H](C)NC(=O)CC2=C(c3ccccc3)CCC2=O)cs1 ZINC000426509949 564093920 /nfs/dbraw/zinc/09/39/20/564093920.db2.gz DTIUATFOCQBVCT-LBPRGKRZSA-N 0 0 340.448 3.836 50 30 EHEARN Cc1noc(C)c1CSCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000006650287 564095188 /nfs/dbraw/zinc/09/51/88/564095188.db2.gz BPWIQQCAILFKOE-UHFFFAOYSA-N 0 0 335.816 3.688 50 30 EHEARN Cc1cc(OC(=O)c2ccco2)cc2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000006673040 564095792 /nfs/dbraw/zinc/09/57/92/564095792.db2.gz HXILLBIQUISMJI-YVLHZVERSA-N 0 0 347.326 3.818 50 30 EHEARN CC1(C)Cc2c(C#N)c(NC(=O)NC3CCCCC3)sc2CO1 ZINC000006764223 564097354 /nfs/dbraw/zinc/09/73/54/564097354.db2.gz OINBUDZTJDJRNT-UHFFFAOYSA-N 0 0 333.457 3.925 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000169784011 564101071 /nfs/dbraw/zinc/10/10/71/564101071.db2.gz GQOAMTAPRPJRJJ-KRWDZBQOSA-N 0 0 344.374 3.586 50 30 EHEARN Cc1cc(-n2c(C)cc(C(=O)OCc3ccc(C#N)cc3)c2C)no1 ZINC000007003042 564103032 /nfs/dbraw/zinc/10/30/32/564103032.db2.gz VRAQIBDCLQAHNV-UHFFFAOYSA-N 0 0 335.363 3.619 50 30 EHEARN Cc1ccc(-c2nc(CSc3ncc(C#N)c(N)n3)cs2)cc1 ZINC000007046083 564103630 /nfs/dbraw/zinc/10/36/30/564103630.db2.gz ZRSFRYIMVDKITD-UHFFFAOYSA-N 0 0 339.449 3.655 50 30 EHEARN Cc1csc(NC(=O)c2occc2COc2cccc(C#N)c2)n1 ZINC000065543045 564107333 /nfs/dbraw/zinc/10/73/33/564107333.db2.gz UUQBQSBUDPRWCF-UHFFFAOYSA-N 0 0 339.376 3.748 50 30 EHEARN N#CCc1ccc(OCCOc2cccc(Oc3ncccn3)c2)cc1 ZINC000170625673 564110464 /nfs/dbraw/zinc/11/04/64/564110464.db2.gz OAOMGSYZFUGVSF-UHFFFAOYSA-N 0 0 347.374 3.793 50 30 EHEARN CC(C)Oc1ccc(-c2nc(C(=O)N(C)CCC#N)cs2)cc1 ZINC000071186194 564110747 /nfs/dbraw/zinc/11/07/47/564110747.db2.gz GWGFIDOBTGCOKR-UHFFFAOYSA-N 0 0 329.425 3.583 50 30 EHEARN C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000071825486 564111342 /nfs/dbraw/zinc/11/13/42/564111342.db2.gz RWBBUHIDWRRNHS-JXFKEZNVSA-N 0 0 349.434 3.864 50 30 EHEARN Fc1ccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)cc1 ZINC000006000051 564113020 /nfs/dbraw/zinc/11/30/20/564113020.db2.gz CCUTWJPGHVSDIP-KEBDBYFISA-N 0 0 337.383 3.736 50 30 EHEARN Cc1csc(CN(Cc2ccccc2C#N)C[C@@H]2CCCO2)n1 ZINC000076006621 564114248 /nfs/dbraw/zinc/11/42/48/564114248.db2.gz JZMFIMOAQVWPCA-KRWDZBQOSA-N 0 0 327.453 3.504 50 30 EHEARN C[C@@H](NC(=O)N(C[C@H](O)c1ccccc1)C1CC1)c1ccc(C#N)cc1 ZINC000089904743 564115021 /nfs/dbraw/zinc/11/50/21/564115021.db2.gz XPLOUTRXXSMSFZ-QRWLVFNGSA-N 0 0 349.434 3.527 50 30 EHEARN CC(C)(C)c1cnc(CCC(=O)N[C@H](C#N)c2ccccc2Cl)o1 ZINC000193829906 564120313 /nfs/dbraw/zinc/12/03/13/564120313.db2.gz YYRVABFXSFKQHK-CQSZACIVSA-N 0 0 345.830 3.939 50 30 EHEARN N#Cc1cccc(COC(=O)c2ccc(F)cc2Br)c1 ZINC000007722154 564122256 /nfs/dbraw/zinc/12/22/56/564122256.db2.gz IVIQQHIXPMHZFR-UHFFFAOYSA-N 0 0 334.144 3.817 50 30 EHEARN CCOC(=O)c1ccc(NC(C)=CC(=O)NC2CCCCC2)cc1 ZINC000252620237 564122352 /nfs/dbraw/zinc/12/23/52/564122352.db2.gz LZWDVKZCRREFBI-UHFFFAOYSA-N 0 0 330.428 3.795 50 30 EHEARN N#Cc1ccc(COC(=O)c2cc(F)ccc2Br)cc1 ZINC000007867178 564124286 /nfs/dbraw/zinc/12/42/86/564124286.db2.gz ZBVGZMXUFZDMJL-UHFFFAOYSA-N 0 0 334.144 3.817 50 30 EHEARN CC(=CCc1ccco1)N=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000252640207 564124627 /nfs/dbraw/zinc/12/46/27/564124627.db2.gz YRHWZIFSEFGQCB-UITQDYRZSA-N 0 0 332.367 3.611 50 30 EHEARN CCCCCCOc1ccc(C=NN=C2NC(=O)[C@@H](C)S2)cc1 ZINC000252678300 564124873 /nfs/dbraw/zinc/12/48/73/564124873.db2.gz DISRUNSTYOJZCY-CYBMUJFWSA-N 0 0 333.457 3.587 50 30 EHEARN N#Cc1cc(F)c(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(F)c1 ZINC000253417561 564130860 /nfs/dbraw/zinc/13/08/60/564130860.db2.gz AMFDXRAYESRQQB-MDZRGWNJSA-N 0 0 340.373 3.845 50 30 EHEARN C=CCSc1nc2ccccc2c(=O)n1[C@H]1CCOC(C)(C)C1 ZINC000002314827 564132176 /nfs/dbraw/zinc/13/21/76/564132176.db2.gz WHMNKUHKXLYOGG-ZDUSSCGKSA-N 0 0 330.453 3.805 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3)sc2C1 ZINC000000267203 564133090 /nfs/dbraw/zinc/13/30/90/564133090.db2.gz HUSIVDCYSQVHMI-LBPRGKRZSA-N 0 0 326.421 3.762 50 30 EHEARN COc1ccc2c(c1)CN(C(=O)N[C@@H]1CCCc3cc(C#N)ccc31)C2 ZINC000585090992 564133976 /nfs/dbraw/zinc/13/39/76/564133976.db2.gz KKXBKZYZJMPJOV-HXUWFJFHSA-N 0 0 347.418 3.670 50 30 EHEARN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1cccc(C#N)c1)CC(=O)N2 ZINC000065366279 564134296 /nfs/dbraw/zinc/13/42/96/564134296.db2.gz LOLIWXMPEYWPPX-QGZVFWFLSA-N 0 0 342.402 3.835 50 30 EHEARN CN(Cc1ccccc1)c1ncccc1CNc1cc(C#N)ccn1 ZINC000067641278 564134905 /nfs/dbraw/zinc/13/49/05/564134905.db2.gz OUTNEPPLXQUQAS-UHFFFAOYSA-N 0 0 329.407 3.597 50 30 EHEARN COc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1Br ZINC000225462307 564134997 /nfs/dbraw/zinc/13/49/97/564134997.db2.gz OUCJTOJHPQOWST-UHFFFAOYSA-N 0 0 349.159 3.721 50 30 EHEARN [O-]C(=[NH+][C@@H]1CCc2cc(Cl)ccc21)N1CCC(c2c[nH]cn2)CC1 ZINC000328587546 564136550 /nfs/dbraw/zinc/13/65/50/564136550.db2.gz AOMMZYJEDVEINQ-MRXNPFEDSA-N 0 0 344.846 3.844 50 30 EHEARN C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1C(F)(F)F ZINC000328590086 564136692 /nfs/dbraw/zinc/13/66/92/564136692.db2.gz WPRKSGSWYUJRIH-VIFPVBQESA-N 0 0 347.337 3.675 50 30 EHEARN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2nc(C)c(C)o2)C12CCCCC2 ZINC000328593149 564136765 /nfs/dbraw/zinc/13/67/65/564136765.db2.gz JSKDCSKBEJPSJQ-CABCVRRESA-N 0 0 335.448 3.897 50 30 EHEARN CCc1nccn1[C@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000330298995 564138372 /nfs/dbraw/zinc/13/83/72/564138372.db2.gz LZGNKFFSDWJMCH-OKZBNKHCSA-N 0 0 338.455 3.553 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000155658452 564139648 /nfs/dbraw/zinc/13/96/48/564139648.db2.gz VSNRDTCLLDLAGY-PRHODGIISA-N 0 0 335.276 3.512 50 30 EHEARN COc1cccc2c1ccn2CCC(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000095476818 564141427 /nfs/dbraw/zinc/14/14/27/564141427.db2.gz NNMXUSNKTXVIGH-UHFFFAOYSA-N 0 0 341.415 3.645 50 30 EHEARN N#Cc1nc(CCC2CCCCC2)oc1NCCCn1ccnc1 ZINC000096346353 564146846 /nfs/dbraw/zinc/14/68/46/564146846.db2.gz MHFFSTDAUDOXCY-UHFFFAOYSA-N 0 0 327.432 3.758 50 30 EHEARN C[C@H](NC(=O)C1(C#N)CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000055647328 564150476 /nfs/dbraw/zinc/15/04/76/564150476.db2.gz HOKRRXSMPFHVPM-INIZCTEOSA-N 0 0 349.434 3.922 50 30 EHEARN Cc1ccc(C[C@H](C#N)Sc2nc3sccc3c(N)n2)cc1 ZINC000031787857 564159822 /nfs/dbraw/zinc/15/98/22/564159822.db2.gz BCWBVTCXXJOOGY-GFCCVEGCSA-N 0 0 326.450 3.809 50 30 EHEARN CC(C)c1ccc(C=NNc2cn[nH]c(=O)c2Br)cc1 ZINC000031833895 564160034 /nfs/dbraw/zinc/16/00/34/564160034.db2.gz PLYQAJKPYQVIFX-APSNUPSMSA-N 0 0 335.205 3.514 50 30 EHEARN CCOc1ccc(-c2cc(C(=O)Oc3ccc(C#N)cc3)no2)cc1 ZINC000008586548 564165886 /nfs/dbraw/zinc/16/58/86/564165886.db2.gz FUWLDAYIJNRQPK-UHFFFAOYSA-N 0 0 334.331 3.831 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000069453264 564169623 /nfs/dbraw/zinc/16/96/23/564169623.db2.gz NTYLGWYXMUVLOE-UHFFFAOYSA-N 0 0 343.452 3.892 50 30 EHEARN Cc1ccoc1C(=O)NC1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000069617751 564170887 /nfs/dbraw/zinc/17/08/87/564170887.db2.gz TXQNFNATQXUWGZ-UHFFFAOYSA-N 0 0 343.814 3.512 50 30 EHEARN C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2c(C)noc2C)c1 ZINC000069625341 564171032 /nfs/dbraw/zinc/17/10/32/564171032.db2.gz UUUIGNXRZJYQTC-UHFFFAOYSA-N 0 0 334.375 3.642 50 30 EHEARN Cc1occc1C(=O)NC1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000069654337 564171181 /nfs/dbraw/zinc/17/11/81/564171181.db2.gz SWJAZWPHZRXPID-UHFFFAOYSA-N 0 0 343.814 3.512 50 30 EHEARN COC(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)s1 ZINC000069738229 564171804 /nfs/dbraw/zinc/17/18/04/564171804.db2.gz WXFDRYBMPBFJIM-UHFFFAOYSA-N 0 0 346.433 3.793 50 30 EHEARN Cn1c(C(=O)Nc2ncccc2OCCCC#N)cc2ccccc21 ZINC000069975329 564173081 /nfs/dbraw/zinc/17/30/81/564173081.db2.gz RNCLKIABMVMQSQ-UHFFFAOYSA-N 0 0 334.379 3.508 50 30 EHEARN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H](c2ccccc2)O1 ZINC000070036647 564173432 /nfs/dbraw/zinc/17/34/32/564173432.db2.gz BMDXASIDODXENP-HRAATJIYSA-N 0 0 331.419 3.773 50 30 EHEARN CSC[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000077186012 564176634 /nfs/dbraw/zinc/17/66/34/564176634.db2.gz MFZILQKALIGMFW-KRWDZBQOSA-N 0 0 325.437 3.978 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O[C@@H](C)C#N)cc1)CO2 ZINC000254961782 1015251991 /nfs/dbraw/zinc/25/19/91/1015251991.db2.gz IBHVZEQIPSFPBG-NCPSJORJSA-N 0 0 335.359 3.645 50 30 EHEARN CC(C)[C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1 ZINC000328684134 1018365058 /nfs/dbraw/zinc/36/50/58/1018365058.db2.gz DWGLMYOYBYOQNK-FHWLQOOXSA-N 0 0 345.483 3.950 50 30 EHEARN Cc1ncc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)c(C)n1 ZINC000297960611 1040851015 /nfs/dbraw/zinc/85/10/15/1040851015.db2.gz VQTXYHRWKINCRS-NXEZZACHSA-N 0 0 340.452 3.965 50 30 EHEARN Cc1oc(C(C)C)cc1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000332406601 1041649108 /nfs/dbraw/zinc/64/91/08/1041649108.db2.gz CDRPKMNEASWQLJ-UHFFFAOYSA-N 0 0 337.423 3.546 50 30 EHEARN CCCc1cc(NC[C@@H]2CCCO2)n2c3ccccc3nc2c1C#N ZINC000000352614 1128611149 /nfs/dbraw/zinc/61/11/49/1128611149.db2.gz GJZQMJVPYUXHIO-HNNXBMFYSA-N 0 0 334.423 3.903 50 30 EHEARN CCc1ccccc1NC(=O)/C=C\c1ccc(OCC#N)c(OC)c1 ZINC000033466990 1122746058 /nfs/dbraw/zinc/74/60/58/1122746058.db2.gz NTSDPWRXWYHGFA-LUAWRHEFSA-N 0 0 336.391 3.812 50 30 EHEARN C#CCCC1(CCC(=O)N2CCO[C@H](c3ccccc3Cl)C2)N=N1 ZINC000952882115 1137483383 /nfs/dbraw/zinc/48/33/83/1137483383.db2.gz RNNZIQWWQSBCMP-INIZCTEOSA-N 0 0 345.830 3.596 50 30 EHEARN C#CCCC1(CCC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)N=N1 ZINC000952882129 1137483400 /nfs/dbraw/zinc/48/34/00/1137483400.db2.gz RNNZIQWWQSBCMP-MRXNPFEDSA-N 0 0 345.830 3.596 50 30 EHEARN N#Cc1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 ZINC000051319075 214089270 /nfs/dbraw/zinc/08/92/70/214089270.db2.gz XPQFLYYHCZORSP-UHFFFAOYSA-N 0 0 327.746 3.944 50 30 EHEARN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2nncc3ccccc32)c1 ZINC000004718822 210258546 /nfs/dbraw/zinc/25/85/46/210258546.db2.gz GFVYLTALLPMLKH-GIJQJNRQSA-N 0 0 327.731 3.637 50 30 EHEARN CN(Cc1cc(C#N)ccc1F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000054193356 214223733 /nfs/dbraw/zinc/22/37/33/214223733.db2.gz UQVDXKORQUSSGK-UHFFFAOYSA-N 0 0 333.750 3.891 50 30 EHEARN Cc1c(F)cc(C#N)cc1NC(=O)Cc1csc(-c2ccco2)n1 ZINC000058063104 214475378 /nfs/dbraw/zinc/47/53/78/214475378.db2.gz SGWNJKNOWCHXMW-UHFFFAOYSA-N 0 0 341.367 3.904 50 30 EHEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(Br)s2)cc1 ZINC000004656554 210239476 /nfs/dbraw/zinc/23/94/76/210239476.db2.gz IEZXNLYTSXBLGJ-NTUHNPAUSA-N 0 0 326.175 3.865 50 30 EHEARN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(OC)c1O ZINC000004600478 210230021 /nfs/dbraw/zinc/23/00/21/210230021.db2.gz HRUBZCDWHJEHPP-HGLKBHAMSA-N 0 0 347.436 3.964 50 30 EHEARN CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(Cl)cc1 ZINC000004516912 210211136 /nfs/dbraw/zinc/21/11/36/210211136.db2.gz IVNYUWBXBHMRAC-UHFFFAOYSA-N 0 0 330.819 3.599 50 30 EHEARN O=C1c2ccc(O)cc2O/C1=C\c1cc(Cl)cc2c1OCOC2 ZINC000004465338 210194555 /nfs/dbraw/zinc/19/45/55/210194555.db2.gz KHLBVMJFRBMOOZ-WCSRMQSCSA-N 0 0 330.723 3.528 50 30 EHEARN CCOC(=O)c1cc(C)sc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100772817 219106737 /nfs/dbraw/zinc/10/67/37/219106737.db2.gz GHQPDFDSYXHBEW-GIJQJNRQSA-N 0 0 335.425 3.510 50 30 EHEARN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1cccs1 ZINC000004170124 210138286 /nfs/dbraw/zinc/13/82/86/210138286.db2.gz XCVDOOVGNXIUAH-UHFFFAOYSA-N 0 0 329.208 3.727 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000004033543 210104350 /nfs/dbraw/zinc/10/43/50/210104350.db2.gz LROLPWGTOJARGY-QGZVFWFLSA-N 0 0 343.430 3.807 50 30 EHEARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003536938 210050036 /nfs/dbraw/zinc/05/00/36/210050036.db2.gz JXFMFCOOVUNELB-GFCCVEGCSA-N 0 0 325.799 3.601 50 30 EHEARN C[C@H](C#N)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000003465855 210048773 /nfs/dbraw/zinc/04/87/73/210048773.db2.gz VIXLWXGDMIWGEI-SNVBAGLBSA-N 0 0 343.358 3.668 50 30 EHEARN O=C(CON=C1c2ccccc2-c2ccccc21)N1CCCCCC1 ZINC000003315154 210004483 /nfs/dbraw/zinc/00/44/83/210004483.db2.gz IYQNKFPWCFNLMN-UHFFFAOYSA-N 0 0 334.419 3.839 50 30 EHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000043509140 213585093 /nfs/dbraw/zinc/58/50/93/213585093.db2.gz GXPNNZBTMXVHKL-PKOBYXMFSA-N 0 0 342.487 3.527 50 30 EHEARN N#Cc1ccc(CSc2nnc(Cc3ccccc3F)o2)cc1 ZINC000067955925 215258497 /nfs/dbraw/zinc/25/84/97/215258497.db2.gz OKAILNCLGJYNLA-UHFFFAOYSA-N 0 0 325.368 3.963 50 30 EHEARN N#C[C@H](NC(=O)c1ccco1)c1ccc(OCc2ccccc2)cc1 ZINC000068343660 215300545 /nfs/dbraw/zinc/30/05/45/215300545.db2.gz UNKRBRIPFLHWEK-SFHVURJKSA-N 0 0 332.359 3.853 50 30 EHEARN O=C(Cc1ccc2c(c1)CCCC2)Nc1n[nH]c(-c2ccccn2)n1 ZINC000040154818 213274582 /nfs/dbraw/zinc/27/45/82/213274582.db2.gz ZSGXUQJYCSSLAN-UHFFFAOYSA-N 0 0 333.395 3.576 50 30 EHEARN CCc1cc2c(nc3n(c2=O)CC/C3=C/c2ccc(C#N)cc2)s1 ZINC000035214702 213014825 /nfs/dbraw/zinc/01/48/25/213014825.db2.gz SQQIZUZYMGVUJI-ZROIWOOFSA-N 0 0 333.416 3.836 50 30 EHEARN CCOC(=O)c1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000095989 209417589 /nfs/dbraw/zinc/41/75/89/209417589.db2.gz LMJGBPJQPKYQGV-UDWIEESQSA-N 0 0 343.379 3.640 50 30 EHEARN COCc1cc(C)nc(SCC(=O)c2ccc(C)cc2C)c1C#N ZINC000000049762 209391018 /nfs/dbraw/zinc/39/10/18/209391018.db2.gz FJJWPUDCNHYCEE-UHFFFAOYSA-N 0 0 340.448 4.000 50 30 EHEARN C=C(Cl)COC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000022988936 212340759 /nfs/dbraw/zinc/34/07/59/212340759.db2.gz JTXHMGZTOJCWLN-UHFFFAOYSA-N 0 0 325.773 3.811 50 30 EHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc2cccnc21 ZINC000023023487 212342658 /nfs/dbraw/zinc/34/26/58/212342658.db2.gz QOGNJOVYZFWMAJ-UHFFFAOYSA-N 0 0 347.422 3.533 50 30 EHEARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)c1 ZINC000022703795 212318580 /nfs/dbraw/zinc/31/85/80/212318580.db2.gz SYNWJLKSBNCNEZ-SFHVURJKSA-N 0 0 336.391 3.553 50 30 EHEARN C=CCN1c2ccccc2S/C(=C/C(=O)N[C@H](C)C(C)(C)C)C1=O ZINC000022319113 212290171 /nfs/dbraw/zinc/29/01/71/212290171.db2.gz WJMRTUNITHOZAC-MLDYKZIASA-N 0 0 344.480 3.746 50 30 EHEARN N#Cc1cn(C(=O)c2cccc(Br)c2)c2ccccc12 ZINC000196513217 241035124 /nfs/dbraw/zinc/03/51/24/241035124.db2.gz ZHOKCUNNSSRBQR-UHFFFAOYSA-N 0 0 325.165 3.964 50 30 EHEARN COCCCn1ccc(-c2cccc(-c3nc(C)ccc3C#N)c2)n1 ZINC000020868027 212180802 /nfs/dbraw/zinc/18/08/02/212180802.db2.gz QVNSXMUBGPQVPI-UHFFFAOYSA-N 0 0 332.407 3.829 50 30 EHEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)CCN(CCC)C3 ZINC000020829023 212175865 /nfs/dbraw/zinc/17/58/65/212175865.db2.gz FEHSRHFAAITBSL-UHFFFAOYSA-N 0 0 334.514 3.710 50 30 EHEARN Cc1cc([O-])c(C[NH+]2CCCC2)c2c1C(=O)/C(=C/c1ccccc1)O2 ZINC000020573552 212148789 /nfs/dbraw/zinc/14/87/89/212148789.db2.gz NMLHINKWOZRWLE-PDGQHHTCSA-N 0 0 335.403 3.913 50 30 EHEARN C=CCC(O)(CC=C)CNC(=O)c1cc(C)nc2ccc(CC)cc21 ZINC000020542025 212145397 /nfs/dbraw/zinc/14/53/97/212145397.db2.gz IPJGOKWVNYCSQS-UHFFFAOYSA-N 0 0 338.451 3.719 50 30 EHEARN COc1cccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)c1OC ZINC000020036815 212096316 /nfs/dbraw/zinc/09/63/16/212096316.db2.gz GAFJDCFZQZQIMP-UVTDQMKNSA-N 0 0 343.766 3.702 50 30 EHEARN CC1CCN(CC(=O)Nc2sc3c(c2C#N)[C@H](C)CCC3)CC1 ZINC000019796980 212069326 /nfs/dbraw/zinc/06/93/26/212069326.db2.gz VXADJRVIHVUGGG-CYBMUJFWSA-N 0 0 331.485 3.730 50 30 EHEARN N#Cc1c(N)nc(-c2ccc(F)cc2)cc1-c1ccc2c(c1)OCO2 ZINC000019336565 212018719 /nfs/dbraw/zinc/01/87/19/212018719.db2.gz WLORSBOCWDGXMF-UHFFFAOYSA-N 0 0 333.322 3.737 50 30 EHEARN CN(C)c1ccc(/C=C/C=N/N=c2\sc3ccccc3n2C)cc1 ZINC000013576860 211584433 /nfs/dbraw/zinc/58/44/33/211584433.db2.gz AQNAVIQYPQLIFP-VIONNNQVSA-N 0 0 336.464 3.906 50 30 EHEARN Cc1nc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)c(C#N)c(C)c1C ZINC000012525017 211399550 /nfs/dbraw/zinc/39/95/50/211399550.db2.gz NGDSILBJNKZPOY-TXEJJXNPSA-N 0 0 331.485 3.760 50 30 EHEARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cccc(C#N)c1 ZINC000012525512 211398636 /nfs/dbraw/zinc/39/86/36/211398636.db2.gz YCZFJPIXUJNWGW-UHFFFAOYSA-N 0 0 340.333 3.575 50 30 EHEARN N#Cc1ccc(C(=O)N2CCCC[C@H]2CCc2cccs2)cn1 ZINC000091476622 218011850 /nfs/dbraw/zinc/01/18/50/218011850.db2.gz CXLDXDLISLUWNZ-INIZCTEOSA-N 0 0 325.437 3.642 50 30 EHEARN N#Cc1ccc(OCC(=O)Nc2cccc3ncccc32)c(Cl)c1 ZINC000011119795 211203319 /nfs/dbraw/zinc/20/33/19/211203319.db2.gz NVPLCLWUHKKQFD-UHFFFAOYSA-N 0 0 337.766 3.777 50 30 EHEARN C[C@@H](c1ccccc1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009691576 211116561 /nfs/dbraw/zinc/11/65/61/211116561.db2.gz OLLMICCHWYAITF-ZDUSSCGKSA-N 0 0 339.464 3.740 50 30 EHEARN CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000009328161 211069994 /nfs/dbraw/zinc/06/99/94/211069994.db2.gz UBGFVSGYCIOLOH-UHFFFAOYSA-N 0 0 348.431 3.812 50 30 EHEARN Cc1nc(C)c(C(=O)N(CC2CC2)c2cc(Cl)ccc2C#N)o1 ZINC000095407159 218342792 /nfs/dbraw/zinc/34/27/92/218342792.db2.gz RMNMELFWSNXXQF-UHFFFAOYSA-N 0 0 329.787 3.873 50 30 EHEARN CC[C@](C)(C#N)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000008130424 210898968 /nfs/dbraw/zinc/89/89/68/210898968.db2.gz UVLFJVFPOZIAPX-OAHLLOKOSA-N 0 0 339.178 3.522 50 30 EHEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000007741973 210841328 /nfs/dbraw/zinc/84/13/28/210841328.db2.gz LZVXENATWBDCAD-YRNVUSSQSA-N 0 0 328.364 3.617 50 30 EHEARN COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000007091895 210757318 /nfs/dbraw/zinc/75/73/18/210757318.db2.gz ZCMHRGOZQCXNJS-GFCCVEGCSA-N 0 0 343.814 3.968 50 30 EHEARN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccc2cccnc21 ZINC000096416367 218776193 /nfs/dbraw/zinc/77/61/93/218776193.db2.gz KDIVLABHRNYPPM-UHFFFAOYSA-N 0 0 325.375 3.722 50 30 EHEARN Cc1nnc(CNc2ccc(Oc3ccccc3C#N)c(F)c2)n1C ZINC000097048080 218930791 /nfs/dbraw/zinc/93/07/91/218930791.db2.gz IZCSXRNTJYERGV-UHFFFAOYSA-N 0 0 337.358 3.539 50 30 EHEARN C=CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000004868832 210308829 /nfs/dbraw/zinc/30/88/29/210308829.db2.gz MEMZUNRBWFOLMO-UHFFFAOYSA-N 0 0 338.363 3.986 50 30 EHEARN COc1cc(C#N)cc(Br)c1OCC(=O)c1ccccc1 ZINC000004828556 210290551 /nfs/dbraw/zinc/29/05/51/210290551.db2.gz CWOQCGRIQJJBGA-UHFFFAOYSA-N 0 0 346.180 3.591 50 30 EHEARN COc1cc(C)c(NC(=O)Cn2cc(C#N)c3ccccc32)cc1C ZINC000004758925 210272108 /nfs/dbraw/zinc/27/21/08/210272108.db2.gz MLSNSQBPHAQDBE-UHFFFAOYSA-N 0 0 333.391 3.777 50 30 EHEARN N#C[C@@H](CCc1ccccc1)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000330032192 258002457 /nfs/dbraw/zinc/00/24/57/258002457.db2.gz JIUXFEHAQSKKTK-LJQANCHMSA-N 0 0 334.419 3.893 50 30 EHEARN Cc1oc(C#N)cc1C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000280822352 258013540 /nfs/dbraw/zinc/01/35/40/258013540.db2.gz NMEDLUGKOOOBIL-GTNSWQLSSA-N 0 0 344.798 3.715 50 30 EHEARN C=CCN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(C)cc1C ZINC000012534298 258017143 /nfs/dbraw/zinc/01/71/43/258017143.db2.gz FHZWWCVGBOTBTH-LJQANCHMSA-N 0 0 349.434 3.645 50 30 EHEARN C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c1 ZINC000008041574 258018070 /nfs/dbraw/zinc/01/80/70/258018070.db2.gz KNCKFTWFFOHYJC-CQSZACIVSA-N 0 0 327.380 3.666 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)cc1 ZINC000007720198 258018093 /nfs/dbraw/zinc/01/80/93/258018093.db2.gz IWZXYKQBLWYCEL-UHFFFAOYSA-N 0 0 333.391 3.873 50 30 EHEARN N#CCC[C@H](C#N)CSc1nnc(Nc2ccc(F)cc2)s1 ZINC000032814730 258058271 /nfs/dbraw/zinc/05/82/71/258058271.db2.gz QJGJMNXQZCAJNR-SNVBAGLBSA-N 0 0 333.417 3.956 50 30 EHEARN COc1ccc(CN(C(=O)CC#N)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000170599381 258071335 /nfs/dbraw/zinc/07/13/35/258071335.db2.gz VDSZHHCWVDXVEM-GDBMZVCRSA-N 0 0 330.428 3.525 50 30 EHEARN N#Cc1cccnc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058160187 132803515 /nfs/dbraw/zinc/80/35/15/132803515.db2.gz QBVBZOSBWBDTKP-HNNXBMFYSA-N 0 0 349.369 3.526 50 30 EHEARN COc1ccc2c(c1)CC/C(=C/c1ccc(N3CCOCC3)cc1)C2=O ZINC000000214568 135647259 /nfs/dbraw/zinc/64/72/59/135647259.db2.gz FIWUFHXTTYCLPP-JXAWBTAJSA-N 0 0 349.430 3.744 50 30 EHEARN Cc1ccc(CS(=O)(=O)c2oc(-c3cccs3)nc2C#N)cc1 ZINC000170623872 226663964 /nfs/dbraw/zinc/66/39/64/226663964.db2.gz GCXDZFQUZXDEFX-UHFFFAOYSA-N 0 0 344.417 3.557 50 30 EHEARN N#Cc1cccc(OCCNc2ccccc2[C@@H](O)C(F)(F)F)c1 ZINC000095992777 262535070 /nfs/dbraw/zinc/53/50/70/262535070.db2.gz REGFULPNQSIBFN-MRXNPFEDSA-N 0 0 336.313 3.645 50 30 EHEARN C=CCNC(=S)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000004046457 518948598 /nfs/dbraw/zinc/94/85/98/518948598.db2.gz IAYWGSFOWPQHRS-UHFFFAOYSA-N 0 0 331.872 3.798 50 30 EHEARN C=CCc1ccc(OCC(=O)N[C@H]2CCc3ccccc32)c(OC)c1 ZINC000012901602 519134653 /nfs/dbraw/zinc/13/46/53/519134653.db2.gz ZEAOOJXDOCPNQY-SFHVURJKSA-N 0 0 337.419 3.606 50 30 EHEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccccn1 ZINC000000352138 519244888 /nfs/dbraw/zinc/24/48/88/519244888.db2.gz JPZXSEROPKVJQI-UHFFFAOYSA-N 0 0 326.400 3.958 50 30 EHEARN CC(C)n1c(CCNC(=O)c2ccc(N=[N+]=[N-])nc2)nc2ccccc21 ZINC000108514987 519919956 /nfs/dbraw/zinc/91/99/56/519919956.db2.gz QKZJPBPNMIGMTP-UHFFFAOYSA-N 0 0 349.398 3.927 50 30 EHEARN CCOc1cc(CN=Nc2ncnc3sc(C)c(C)c32)ccc1O ZINC000004679799 520641492 /nfs/dbraw/zinc/64/14/92/520641492.db2.gz AZNUIMYHZJTEEG-DNTJNYDQSA-N 0 0 342.424 3.858 50 30 EHEARN COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000004802487 523402093 /nfs/dbraw/zinc/40/20/93/523402093.db2.gz NLVWDGQCMVBWDD-VMPITWQZSA-N 0 0 328.364 3.617 50 30 EHEARN CN(c1ccccc1)c1ccccc1NCC(=O)NC1(C#N)CCCC1 ZINC000055866484 523654867 /nfs/dbraw/zinc/65/48/67/523654867.db2.gz HXUFMLLWEGLRFB-UHFFFAOYSA-N 0 0 348.450 3.819 50 30 EHEARN COc1cccc(CN=Nc2nc(C)cc(-c3ccccc3)n2)c1O ZINC000005362373 525772000 /nfs/dbraw/zinc/77/20/00/525772000.db2.gz IWYZTUKYLSWKLN-UDWIEESQSA-N 0 0 334.379 3.612 50 30 EHEARN CS[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000069879383 525859979 /nfs/dbraw/zinc/85/99/79/525859979.db2.gz JKAWIHLXSMGEKE-ZWNOBZJWSA-N 0 0 327.434 3.610 50 30 EHEARN Oc1ccc2ccccc2c1CN=Nc1nncc(-c2ccccc2)n1 ZINC000004476774 526354984 /nfs/dbraw/zinc/35/49/84/526354984.db2.gz YESCLIVKWUREAS-CIAFOILYSA-N 0 0 341.374 3.843 50 30 EHEARN N#CCCSc1ccccc1NC[C@H](O)COc1ccccc1F ZINC000095944780 526463532 /nfs/dbraw/zinc/46/35/32/526463532.db2.gz WUBHCMMLDRSKDM-AWEZNQCLSA-N 0 0 346.427 3.683 50 30 EHEARN N#CCSCC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000057084631 526477198 /nfs/dbraw/zinc/47/71/98/526477198.db2.gz FASKLDICNLKSIY-HNNXBMFYSA-N 0 0 336.869 3.864 50 30 EHEARN N#CCc1ccccc1C(=O)OCc1cc(Cl)cc2c1OCOC2 ZINC000005247059 526487825 /nfs/dbraw/zinc/48/78/25/526487825.db2.gz IMMQKMMZAUGVMQ-UHFFFAOYSA-N 0 0 343.766 3.630 50 30 EHEARN O=C(COC(=O)COc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000006460086 526986920 /nfs/dbraw/zinc/98/69/20/526986920.db2.gz HPTFGHDOJIVMGG-UHFFFAOYSA-N 0 0 343.423 3.534 50 30 EHEARN Cc1nc(SCC(=O)NC2(C#N)CCCC2)n(C2CCCC2)c1C ZINC000005090313 527017606 /nfs/dbraw/zinc/01/76/06/527017606.db2.gz SJYBADVZADYCQM-UHFFFAOYSA-N 0 0 346.500 3.660 50 30 EHEARN O=C(COc1cccc2ccccc21)Nc1n[nH]c(-c2ccco2)n1 ZINC000012873232 527588196 /nfs/dbraw/zinc/58/81/96/527588196.db2.gz GVPJRTNKCMTUQM-UHFFFAOYSA-N 0 0 334.335 3.885 50 30 EHEARN Nc1c(F)cc(Cl)cc1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000328592811 564136754 /nfs/dbraw/zinc/13/67/54/564136754.db2.gz ALTMFYLPXHCGLG-UHFFFAOYSA-N 0 0 340.689 3.568 50 30 EHEARN COC(=O)[C@H]1CSCCC1N=Nc1ccc(Cl)cc1Cl ZINC000000077231 563217249 /nfs/dbraw/zinc/21/72/49/563217249.db2.gz UCZYOPOUMJDWBU-IGRZAPGKSA-N 0 0 333.240 3.687 50 30 EHEARN COc1cc(Cl)c(NC2=CC(=O)c3ccccc3C2=O)c(OC)c1 ZINC000000077303 563217259 /nfs/dbraw/zinc/21/72/59/563217259.db2.gz BGXSDADRMOVSSV-UHFFFAOYSA-N 0 0 343.766 3.732 50 30 EHEARN Cc1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1C ZINC000000132162 563238821 /nfs/dbraw/zinc/23/88/21/563238821.db2.gz QDOCTVWAORANSD-UHFFFAOYSA-N 0 0 335.432 3.630 50 30 EHEARN COC1(OC)OC2=C(c3cccc4cccc2c34)C(C#N)(C#N)[C@H]1C ZINC000000340757 563286275 /nfs/dbraw/zinc/28/62/75/563286275.db2.gz SJGVLYLFECUNFJ-GFCCVEGCSA-N 0 0 332.359 3.668 50 30 EHEARN CC(=O)/C(=N/Nc1ccccc1Cl)Oc1cccc([N+](=O)[O-])c1 ZINC000000353496 563290524 /nfs/dbraw/zinc/29/05/24/563290524.db2.gz VHHIDRZWVRPYLH-SDXDJHTJSA-N 0 0 333.731 3.642 50 30 EHEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1C ZINC000071888002 563389931 /nfs/dbraw/zinc/38/99/31/563389931.db2.gz GBPIDDBMFMLWJH-LBPRGKRZSA-N 0 0 346.481 3.545 50 30 EHEARN Cc1nc(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 ZINC000071890198 563421353 /nfs/dbraw/zinc/42/13/53/563421353.db2.gz CPPIXSWSCFPSRC-ZDUSSCGKSA-N 0 0 340.235 3.682 50 30 EHEARN O=C1c2ccc([O-])c(C[NH+]3CCCCCC3)c2O/C1=C\c1ccco1 ZINC000002355120 563430044 /nfs/dbraw/zinc/43/00/44/563430044.db2.gz RYTGJEDNSHDPJS-PDGQHHTCSA-N 0 0 339.391 3.977 50 30 EHEARN N#Cc1ccc(NC2CC2)c(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 ZINC000286083889 563643412 /nfs/dbraw/zinc/64/34/12/563643412.db2.gz VXJOZCWFYXVKSU-QGZVFWFLSA-N 0 0 347.418 3.889 50 30 EHEARN CC(=O)/C=C\c1ccccc1OC(=O)c1cc2ccccc2oc1=O ZINC000012379251 563659114 /nfs/dbraw/zinc/65/91/14/563659114.db2.gz PQIFAYVROCLPJO-KHPPLWFESA-N 0 0 334.327 3.614 50 30 EHEARN N#Cc1c(COC(=O)CCc2c[nH]c3ccccc23)cn2ccccc12 ZINC000032682323 563682392 /nfs/dbraw/zinc/68/23/92/563682392.db2.gz NSORRPJJTOLYCN-UHFFFAOYSA-N 0 0 343.386 3.968 50 30 EHEARN COc1ccnc(CSC(=N)Nc2ccccc2C(F)(F)F)c1 ZINC000013133197 563690507 /nfs/dbraw/zinc/69/05/07/563690507.db2.gz KZBDOOQOXRAPQK-UHFFFAOYSA-N 0 0 341.358 3.989 50 30 EHEARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000032768250 563729823 /nfs/dbraw/zinc/72/98/23/563729823.db2.gz LHEZKZBXKWUIAW-UHFFFAOYSA-N 0 0 344.846 3.862 50 30 EHEARN Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1NC(=O)c1ccco1 ZINC000015738819 563791472 /nfs/dbraw/zinc/79/14/72/563791472.db2.gz AFAZERUANHFLOI-UHFFFAOYSA-N 0 0 345.358 3.964 50 30 EHEARN CCC1CCC(N(C2CC2)S(=O)(=O)c2ccccc2C#N)CC1 ZINC000032916450 563814871 /nfs/dbraw/zinc/81/48/71/563814871.db2.gz YFIUKXVOEWDYSG-UHFFFAOYSA-N 0 0 332.469 3.680 50 30 EHEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000016994880 563828070 /nfs/dbraw/zinc/82/80/70/563828070.db2.gz UDOPPWUOKCGGIJ-JXFKEZNVSA-N 0 0 342.402 3.694 50 30 EHEARN N#Cc1ccc(OCCOC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000017182969 563839924 /nfs/dbraw/zinc/83/99/24/563839924.db2.gz YTBQFNKQPMAHDO-UHFFFAOYSA-N 0 0 332.359 3.585 50 30 EHEARN CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000018087055 563848207 /nfs/dbraw/zinc/84/82/07/563848207.db2.gz IULCYQSQUWJEEG-QGZVFWFLSA-N 0 0 341.794 3.825 50 30 EHEARN Cc1ccc(C[C@H](C#N)Sc2nc3sccc3c(=O)n2C)cc1 ZINC000024724982 563874746 /nfs/dbraw/zinc/87/47/46/563874746.db2.gz GXJQMYPMJSDGGZ-CYBMUJFWSA-N 0 0 341.461 3.530 50 30 EHEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2cc(C)ccc2C)c(OC)c1 ZINC000057525219 563935717 /nfs/dbraw/zinc/93/57/17/563935717.db2.gz QURKRWSNFAEDKP-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN COC(=O)[C@@H]1CSCCC1N=Nc1ccc(Cl)cc1Cl ZINC000059299514 563947972 /nfs/dbraw/zinc/94/79/72/563947972.db2.gz UCZYOPOUMJDWBU-SYHTZJABSA-N 0 0 333.240 3.687 50 30 EHEARN CCN(Cc1cccc(NCc2cc(C#N)ccc2F)c1)C(C)=O ZINC000096453348 563953760 /nfs/dbraw/zinc/95/37/60/563953760.db2.gz KIWVUNZHQJSTAD-UHFFFAOYSA-N 0 0 325.387 3.678 50 30 EHEARN C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000096462440 563954160 /nfs/dbraw/zinc/95/41/60/563954160.db2.gz IAYFWABJCRDJBL-GFCCVEGCSA-N 0 0 338.342 3.771 50 30 EHEARN Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)nn1-c1ccccc1Cl ZINC000096495606 563955735 /nfs/dbraw/zinc/95/57/35/563955735.db2.gz GPEFCLKHGBNTML-NSHDSACASA-N 0 0 331.807 3.600 50 30 EHEARN COc1cc(/C=C2/C(=O)c3c(c(F)ccc3O)[C@@H]2C)cc(OC)c1 ZINC000096809631 563962521 /nfs/dbraw/zinc/96/25/21/563962521.db2.gz ZDUKGVORNXISDR-WWNSAXIVSA-N 0 0 328.339 3.932 50 30 EHEARN COCCc1noc(-c2ccc(-c3ccc(C(C)(C)C#N)cc3)nc2)n1 ZINC000072145328 563966253 /nfs/dbraw/zinc/96/62/53/563966253.db2.gz ZSUBOTOJTWFOBK-UHFFFAOYSA-N 0 0 348.406 3.789 50 30 EHEARN CCn1cc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)c2ccccc21 ZINC000071662717 563966480 /nfs/dbraw/zinc/96/64/80/563966480.db2.gz CNZZIRLUEFAOCZ-CYBMUJFWSA-N 0 0 332.407 3.681 50 30 EHEARN C#Cc1cccc(NC(=O)C(=O)N[C@H](c2cccs2)C(C)(C)C)c1 ZINC000096998992 563970961 /nfs/dbraw/zinc/97/09/61/563970961.db2.gz JZFWVQSGEXLDID-MRXNPFEDSA-N 0 0 340.448 3.572 50 30 EHEARN COc1cc(C#N)ccc1CNc1cc(C(=O)N(C)C)ccc1Cl ZINC000158064691 563974512 /nfs/dbraw/zinc/97/45/12/563974512.db2.gz NYNLBUNMTNYRHH-UHFFFAOYSA-N 0 0 343.814 3.534 50 30 EHEARN CCOc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1C(F)(F)F ZINC000096139980 563979472 /nfs/dbraw/zinc/97/94/72/563979472.db2.gz SJAQRAQBKFVBQD-LLVKDONJSA-N 0 0 341.333 3.872 50 30 EHEARN Cc1ccc(-c2nc(N)c(C#N)c(-c3ccc(C(N)=O)cc3)c2C)s1 ZINC000071765073 563983038 /nfs/dbraw/zinc/98/30/38/563983038.db2.gz CZRGBUCGEOMMGR-UHFFFAOYSA-N 0 0 348.431 3.647 50 30 EHEARN Cc1nn(C(C)C)c(C)c1-c1cc(-c2cccnc2)nc(N)c1C#N ZINC000071762778 563983063 /nfs/dbraw/zinc/98/30/63/563983063.db2.gz JZYXJHLSIDDSDY-UHFFFAOYSA-N 0 0 332.411 3.659 50 30 EHEARN CC(C)n1cc(C#N)c(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)n1 ZINC000119979575 563983911 /nfs/dbraw/zinc/98/39/11/563983911.db2.gz ADFUFWTZEJUADG-DZGCQCFKSA-N 0 0 341.415 3.934 50 30 EHEARN N#Cc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCCC2)n1 ZINC000000110879 563986665 /nfs/dbraw/zinc/98/66/65/563986665.db2.gz RCFRVQFKBHAWED-UHFFFAOYSA-N 0 0 342.406 3.813 50 30 EHEARN N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1cccnc1 ZINC000000200299 563988309 /nfs/dbraw/zinc/98/83/09/563988309.db2.gz VRVDXGFXRUUGGC-UHFFFAOYSA-N 0 0 340.770 3.786 50 30 EHEARN C=C(C)Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000000201089 563988339 /nfs/dbraw/zinc/98/83/39/563988339.db2.gz PIJWXNZOLIZISK-UHFFFAOYSA-N 0 0 337.398 3.724 50 30 EHEARN O=C(NCc1ccccc1)c1ccccc1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000100288696 563992103 /nfs/dbraw/zinc/99/21/03/563992103.db2.gz OGVJRJCKBCCYAL-DEDYPNTBSA-N 0 0 349.346 3.868 50 30 EHEARN N#CC1CCN(C(=O)NCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000060991446 563992262 /nfs/dbraw/zinc/99/22/62/563992262.db2.gz UDPFVGBIKKPUCU-UHFFFAOYSA-N 0 0 340.254 3.871 50 30 EHEARN CC(C)C[C@H](C)N(C(=O)c1cnn(C)c1C#N)c1ccc2[nH]ccc2c1 ZINC000408515368 563993003 /nfs/dbraw/zinc/99/30/03/563993003.db2.gz NFILDWVDLMRJGN-AWEZNQCLSA-N 0 0 349.438 3.854 50 30 EHEARN N#Cc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000075584493 564000521 /nfs/dbraw/zinc/00/05/21/564000521.db2.gz HBOLWRNKKAQRJI-OCCSQVGLSA-N 0 0 343.324 3.618 50 30 EHEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O ZINC000005249766 564001486 /nfs/dbraw/zinc/00/14/86/564001486.db2.gz JMXDWFSTVXWKAU-BOPFTXTBSA-N 0 0 338.363 3.538 50 30 EHEARN O=c1oc2cc(OC/C(=N/O)c3ccccc3)ccc2c2c1CCC2 ZINC000005341600 564002809 /nfs/dbraw/zinc/00/28/09/564002809.db2.gz QBYHAILCIMYBMT-UZYVYHOESA-N 0 0 335.359 3.539 50 30 EHEARN Cc1c(C#N)c(NC(=O)c2cccs2)sc1C(=O)OC(C)C ZINC000005531403 564005174 /nfs/dbraw/zinc/00/51/74/564005174.db2.gz JBDCKTAPADYPTG-UHFFFAOYSA-N 0 0 334.422 3.807 50 30 EHEARN C=CCSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)o1 ZINC000005670031 564016904 /nfs/dbraw/zinc/01/69/04/564016904.db2.gz AECFZPXKQIECLH-UHFFFAOYSA-N 0 0 346.359 3.982 50 30 EHEARN O=C(C=CNc1ccc([N+](=O)[O-])cc1Br)c1ccncc1 ZINC000101056542 564017297 /nfs/dbraw/zinc/01/72/97/564017297.db2.gz PBPQAHLLIRUYLD-VMPITWQZSA-N 0 0 348.156 3.561 50 30 EHEARN N#C[C@@H](NC(=O)c1csc(Br)c1)C1CCCCC1 ZINC000226186556 564017329 /nfs/dbraw/zinc/01/73/29/564017329.db2.gz WXYHEZWFCLHOHC-LLVKDONJSA-N 0 0 327.247 3.713 50 30 EHEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=C/c1ccc([N+](=O)[O-])cc1)C3=O ZINC000005724684 564024076 /nfs/dbraw/zinc/02/40/76/564024076.db2.gz MWZYGQXXNLZDQQ-OQLLNIDSSA-N 0 0 349.298 3.626 50 30 biogenic EHEARN CS(=O)(=O)c1ccc(NN=C2c3ccccc3-c3ccccc32)cc1 ZINC000047437314 564026296 /nfs/dbraw/zinc/02/62/96/564026296.db2.gz LGCREUDPCZKALZ-UHFFFAOYSA-N 0 0 348.427 3.935 50 30 EHEARN N#Cc1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)c[nH]1 ZINC000182320483 564054469 /nfs/dbraw/zinc/05/44/69/564054469.db2.gz GPEMOCHMSPCYFJ-SFHVURJKSA-N 0 0 335.407 3.544 50 30 EHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257357785 564055971 /nfs/dbraw/zinc/05/59/71/564055971.db2.gz PWCLWZOSAFOXFL-PAQWLQJESA-N 0 0 330.468 3.694 50 30 EHEARN Cc1cc(NC(=O)[C@H](C)ON=C2c3ccccc3-c3ccccc32)no1 ZINC000015393424 564061973 /nfs/dbraw/zinc/06/19/73/564061973.db2.gz SLBJTYFECHFMBU-ZDUSSCGKSA-N 0 0 347.374 3.760 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000248380262 564063483 /nfs/dbraw/zinc/06/34/83/564063483.db2.gz PMRSMIYEHNIQME-LEUOFYLZSA-N 0 0 326.440 3.801 50 30 EHEARN Cc1snc(S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C#N ZINC000001399909 564064458 /nfs/dbraw/zinc/06/44/58/564064458.db2.gz PIWLNBCXBYMEHW-UHFFFAOYSA-N 0 0 347.248 3.604 50 30 EHEARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCC#Cc1ccccc1 ZINC000058415508 564065283 /nfs/dbraw/zinc/06/52/83/564065283.db2.gz GVBXJYBKCLRJEC-SFHVURJKSA-N 0 0 336.435 3.952 50 30 EHEARN N#Cc1cccc(CNC(=O)N(CCC(F)(F)F)C2CCC2)c1 ZINC000084363844 564067891 /nfs/dbraw/zinc/06/78/91/564067891.db2.gz SHDHIMVWIOBFOV-UHFFFAOYSA-N 0 0 325.334 3.575 50 30 EHEARN Cc1ccc(-c2nn(C[C@H](C#N)CCC#N)c(=O)c3ccccc32)cc1 ZINC000012810764 564072793 /nfs/dbraw/zinc/07/27/93/564072793.db2.gz JCOQUBOGOVLLDV-INIZCTEOSA-N 0 0 342.402 3.815 50 30 EHEARN C=CCNc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000001759897 564074723 /nfs/dbraw/zinc/07/47/23/564074723.db2.gz VYMYHIVZUHFRIC-UHFFFAOYSA-N 0 0 340.452 3.997 50 30 EHEARN Cc1ccc(C[C@H](C#N)Sc2ccccc2S(C)(=O)=O)cc1 ZINC000118183283 564084227 /nfs/dbraw/zinc/08/42/27/564084227.db2.gz VJWNHZUQCAQNQH-OAHLLOKOSA-N 0 0 331.462 3.626 50 30 EHEARN CCOC(=O)C1CCN(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006401603 564085600 /nfs/dbraw/zinc/08/56/00/564085600.db2.gz YPWSPPDBAOFPKE-VMPITWQZSA-N 0 0 345.483 3.561 50 30 EHEARN C=CCN1C(=O)S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C1=O ZINC000075262253 564086219 /nfs/dbraw/zinc/08/62/19/564086219.db2.gz XTEQSNAXSXWQTC-WQLSENKSSA-N 0 0 339.800 3.580 50 30 EHEARN C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000006037056 564087262 /nfs/dbraw/zinc/08/72/62/564087262.db2.gz MASCESDECGBIBB-FSHQYNQFSA-N 0 0 332.484 3.630 50 30 in-vitro EHEARN C=CCc1cccc2cc(C(N)=O)c(=Nc3ccc(OC)cc3)oc21 ZINC000245284630 564088668 /nfs/dbraw/zinc/08/86/68/564088668.db2.gz SNQHOQMRTAMNPJ-UHFFFAOYSA-N 0 0 334.375 3.501 50 30 EHEARN Cn1cccc1C=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000244633632 564088697 /nfs/dbraw/zinc/08/86/97/564088697.db2.gz GGKUFTYXGKDNBZ-UHFFFAOYSA-N 0 0 339.468 3.752 50 30 EHEARN CCOC(=O)c1sc(NC(=O)CCc2ccccc2)c(C#N)c1C ZINC000001964987 564090340 /nfs/dbraw/zinc/09/03/40/564090340.db2.gz YOCZCYXSNLKVNN-UHFFFAOYSA-N 0 0 342.420 3.676 50 30 EHEARN CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006600229 564092637 /nfs/dbraw/zinc/09/26/37/564092637.db2.gz ZVJVWYSCYPTXQE-AWEZNQCLSA-N 0 0 339.464 3.739 50 30 EHEARN N#Cc1nc(-c2ccccc2)oc1N=NCc1cccc([N+](=O)[O-])c1 ZINC000027026301 564093081 /nfs/dbraw/zinc/09/30/81/564093081.db2.gz YIHADSKRRKBYCY-YBFXNURJSA-N 0 0 333.307 3.567 50 30 EHEARN Cc1ncsc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000170007180 564104631 /nfs/dbraw/zinc/10/46/31/564104631.db2.gz JDIAUCDSRSTKHF-AWEZNQCLSA-N 0 0 335.388 3.566 50 30 EHEARN Cc1ccc(-n2c(SCCC#N)nnc2N2CCCCC2)cc1 ZINC000007104700 564104873 /nfs/dbraw/zinc/10/48/73/564104873.db2.gz GLAMLTRSSVYGMK-UHFFFAOYSA-N 0 0 327.457 3.572 50 30 EHEARN N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 ZINC000007113302 564104900 /nfs/dbraw/zinc/10/49/00/564104900.db2.gz KRDCAGBIWCLJES-HNNXBMFYSA-N 0 0 331.297 3.687 50 30 EHEARN N#C[C@@H](C(=O)C1=Cc2ccccc2OC1)c1ccc(C(F)(F)F)cn1 ZINC000065519325 564106830 /nfs/dbraw/zinc/10/68/30/564106830.db2.gz JZXKLPKMJHYVKI-CQSZACIVSA-N 0 0 344.292 3.753 50 30 EHEARN CC(C)N(C)C(=O)c1ccc(CNc2ncc(C#N)cc2Cl)cc1 ZINC000065542964 564107314 /nfs/dbraw/zinc/10/73/14/564107314.db2.gz DWHKZXGMLHYURL-UHFFFAOYSA-N 0 0 342.830 3.699 50 30 EHEARN CCCc1sc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1CC ZINC000065553274 564107477 /nfs/dbraw/zinc/10/74/77/564107477.db2.gz RJCREMYTRQUYRR-INIZCTEOSA-N 0 0 347.528 3.569 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007542900 564110228 /nfs/dbraw/zinc/11/02/28/564110228.db2.gz FMPSABSBKJZJAE-CQSZACIVSA-N 0 0 349.821 3.843 50 30 EHEARN C[C@@H](NC(=O)N(C[C@@H](O)c1ccccc1)C1CC1)c1ccc(C#N)cc1 ZINC000089904745 564115013 /nfs/dbraw/zinc/11/50/13/564115013.db2.gz XPLOUTRXXSMSFZ-FOIQADDNSA-N 0 0 349.434 3.527 50 30 EHEARN O=C1ON=C(c2ccc([N+](=O)[O-])cc2)/C1=C\c1ccccc1Cl ZINC000252491017 564119564 /nfs/dbraw/zinc/11/95/64/564119564.db2.gz LILOEPAFVGIBRV-UKTHLTGXSA-N 0 0 328.711 3.593 50 30 EHEARN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000194090206 564120405 /nfs/dbraw/zinc/12/04/05/564120405.db2.gz WGLMXQJOLVZVPR-PMACEKPBSA-N 0 0 349.434 3.525 50 30 EHEARN CC(=NNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000252620559 564122366 /nfs/dbraw/zinc/12/23/66/564122366.db2.gz MGQVHXXQYZRYGV-UHFFFAOYSA-N 0 0 343.235 3.696 50 30 EHEARN N#Cc1ccc(SCC(=O)N(Cc2ccco2)c2ccccn2)cc1 ZINC000170868678 564124229 /nfs/dbraw/zinc/12/42/29/564124229.db2.gz SNKCUNMCCJGGGH-UHFFFAOYSA-N 0 0 349.415 3.872 50 30 EHEARN CCCCCCOc1ccc(C=NN=C2NC(=O)[C@H](C)S2)cc1 ZINC000252678301 564124875 /nfs/dbraw/zinc/12/48/75/564124875.db2.gz DISRUNSTYOJZCY-ZDUSSCGKSA-N 0 0 333.457 3.587 50 30 EHEARN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1ccccn1 ZINC000066230668 564125439 /nfs/dbraw/zinc/12/54/39/564125439.db2.gz TVEQLOTWBPBBQN-NWDGAFQWSA-N 0 0 334.297 3.744 50 30 EHEARN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000071770668 564129471 /nfs/dbraw/zinc/12/94/71/564129471.db2.gz HYKSCWQTCYOEKI-XUJOMZSTSA-N 0 0 326.436 3.980 50 30 EHEARN Cc1cc(C)c(C#N)c(SC[C@@H](O)COc2ccc(Cl)cc2)n1 ZINC000000470037 564133272 /nfs/dbraw/zinc/13/32/72/564133272.db2.gz AVSJCGCMGCFAMM-AWEZNQCLSA-N 0 0 348.855 3.756 50 30 EHEARN N#Cc1cccnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007051407 564133851 /nfs/dbraw/zinc/13/38/51/564133851.db2.gz HODXICNDIGKBFP-UHFFFAOYSA-N 0 0 338.219 3.991 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000002372743 564133884 /nfs/dbraw/zinc/13/38/84/564133884.db2.gz KMKMPWOJZGIIHH-SFHVURJKSA-N 0 0 347.370 3.533 50 30 EHEARN CC(=O)N(c1nc(CSc2ccccc2C#N)cs1)C1CC1 ZINC000076083228 564133889 /nfs/dbraw/zinc/13/38/89/564133889.db2.gz AOUGNQTTXOSYBR-UHFFFAOYSA-N 0 0 329.450 3.822 50 30 EHEARN COCC1(CNC(=O)c2cccc(-c3ccccc3C#N)c2)CCC1 ZINC000426434797 564135056 /nfs/dbraw/zinc/13/50/56/564135056.db2.gz CTLVBXDLMIAJSZ-UHFFFAOYSA-N 0 0 334.419 3.772 50 30 EHEARN Cc1nnc([C@H]2CCCCN2C(=O)Nc2cccc(C(C)(F)F)c2)[nH]1 ZINC000328586451 564136509 /nfs/dbraw/zinc/13/65/09/564136509.db2.gz ZBMBCFJSELKOJF-CQSZACIVSA-N 0 0 349.385 3.998 50 30 EHEARN CC(C)c1nc([C@H]2CCCN2C(=O)N[C@@H]2C[C@H]2c2ccccc2)no1 ZINC000328588450 564136615 /nfs/dbraw/zinc/13/66/15/564136615.db2.gz PLQWWXGSFGZIID-ARFHVFGLSA-N 0 0 340.427 3.800 50 30 EHEARN O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1CCCS(=O)(=O)C1 ZINC000328592642 564136779 /nfs/dbraw/zinc/13/67/79/564136779.db2.gz RPMTUYUXPYVSJM-AWEZNQCLSA-N 0 0 345.420 3.892 50 30 EHEARN CC(C)c1nnc(CNC(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000328594336 564136804 /nfs/dbraw/zinc/13/68/04/564136804.db2.gz CSSZQMSDSVTMEN-NSHDSACASA-N 0 0 336.486 3.974 50 30 EHEARN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000095990510 564144150 /nfs/dbraw/zinc/14/41/50/564144150.db2.gz YCZBFUZIMYNHPT-CQSZACIVSA-N 0 0 347.418 3.691 50 30 EHEARN N#Cc1cccc(C(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)c1 ZINC000096104059 564145297 /nfs/dbraw/zinc/14/52/97/564145297.db2.gz SNNXGTZNIJCZNG-UHFFFAOYSA-N 0 0 334.423 3.677 50 30 EHEARN COC(=O)c1ccc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)o1 ZINC000096188181 564145933 /nfs/dbraw/zinc/14/59/33/564145933.db2.gz ZFESXYXKOQGMGA-NTMALXAHSA-N 0 0 339.322 3.899 50 30 EHEARN COCc1cc(C)nc(OCc2ccc(Br)cc2)c1C#N ZINC000096265416 564146204 /nfs/dbraw/zinc/14/62/04/564146204.db2.gz WWCYKXORDUFKHZ-UHFFFAOYSA-N 0 0 347.212 3.750 50 30 EHEARN COc1cccc(C=NOCCOc2c(C)cccc2C)c1OC ZINC000254517909 564146368 /nfs/dbraw/zinc/14/63/68/564146368.db2.gz OYQARCWKXBIRAX-UHFFFAOYSA-N 0 0 329.396 3.750 50 30 EHEARN O=C(/C=C\c1ccccc1-n1cncn1)c1ccc(F)c(Cl)c1 ZINC000096313865 564146715 /nfs/dbraw/zinc/14/67/15/564146715.db2.gz CLLKHXPPLZIYBL-VURMDHGXSA-N 0 0 327.746 3.956 50 30 EHEARN C=CCO[C@H](C)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000096408290 564147460 /nfs/dbraw/zinc/14/74/60/564147460.db2.gz NRYXRAXEGPEMMP-OYLFLEFRSA-N 0 0 349.496 3.798 50 30 EHEARN CCn1c(CN(C)C(=O)Nc2cccc(C#N)c2)nc2ccccc21 ZINC000058190613 564158005 /nfs/dbraw/zinc/15/80/05/564158005.db2.gz YPAVTYGJFIGIAE-UHFFFAOYSA-N 0 0 333.395 3.592 50 30 EHEARN COCCCn1c(S[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1 ZINC000003484637 564158396 /nfs/dbraw/zinc/15/83/96/564158396.db2.gz HAHXODDFEBFRNX-NSHDSACASA-N 0 0 336.848 3.639 50 30 EHEARN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000031808544 564159911 /nfs/dbraw/zinc/15/99/11/564159911.db2.gz RDTGMLUVVRKLGS-OAHLLOKOSA-N 0 0 338.432 3.618 50 30 EHEARN N#Cc1nccnc1Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000069419193 564169361 /nfs/dbraw/zinc/16/93/61/564169361.db2.gz BATMUTHCJGFDHQ-UHFFFAOYSA-N 0 0 341.326 3.914 50 30 EHEARN CNc1ccc(/C=C2\COc3cc(C)cc(C)c3C2=O)cc1[N+](=O)[O-] ZINC000069435248 564169473 /nfs/dbraw/zinc/16/94/73/564169473.db2.gz GJXSYPYOAPAXRR-RIYZIHGNSA-N 0 0 338.363 3.912 50 30 EHEARN N#Cc1c(F)cccc1N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000069562613 564170434 /nfs/dbraw/zinc/17/04/34/564170434.db2.gz ASYOWWSRXBTLCU-UHFFFAOYSA-N 0 0 349.369 3.526 50 30 EHEARN COc1ccccc1-c1c[nH]cc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000069620572 564170948 /nfs/dbraw/zinc/17/09/48/564170948.db2.gz IQZKWBASTQFQNM-UHFFFAOYSA-N 0 0 345.402 3.834 50 30 EHEARN CC(C)Oc1ccc(C(=O)/C=C/c2ccc(-n3cncn3)cc2)cc1 ZINC000025057378 1022804732 /nfs/dbraw/zinc/80/47/32/1022804732.db2.gz SJVKFUQWFSZHTM-LFYBBSHMSA-N 0 0 333.391 3.951 50 30 EHEARN S=C1N=NC(Cc2cccc3ccccc32)N1N=Cc1cccnc1 ZINC000254828634 1035515418 /nfs/dbraw/zinc/51/54/18/1035515418.db2.gz RPMGJUVEQKEOGH-UHFFFAOYSA-N 0 0 345.431 3.588 50 30 EHEARN C=C(C)CN1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)SC1=S ZINC000096935963 1039570487 /nfs/dbraw/zinc/57/04/87/1039570487.db2.gz WORJJKDMAKSJPP-DHDCSXOGSA-N 0 0 341.461 3.650 50 30 EHEARN CC1(C)CCc2ccccc2[C@H](NC(=O)NCC2=CCCOC2)C1 ZINC000329473158 1040244786 /nfs/dbraw/zinc/24/47/86/1040244786.db2.gz ALQKDCCDIVWBHT-GOSISDBHSA-N 0 0 328.456 3.941 50 30 EHEARN Cc1nc(C)c(CNC(=O)N2CCC(c3nccs3)CC2)s1 ZINC000329770797 1040697152 /nfs/dbraw/zinc/69/71/52/1040697152.db2.gz JDIVVFRDUCDVBO-UHFFFAOYSA-N 0 0 336.486 3.510 50 30 EHEARN COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000033602879 1126829946 /nfs/dbraw/zinc/82/99/46/1126829946.db2.gz PGLMCDFGQNAYCR-TWGQIWQCSA-N 0 0 343.335 3.517 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000075542755 1128865835 /nfs/dbraw/zinc/86/58/35/1128865835.db2.gz NFRYMAOWXXLPRT-RTBURBONSA-N 0 0 335.407 3.678 50 30 EHEARN C=C1CC(c2noc(Cc3csc(NC(=O)C(C)(C)C)n3)n2)C1 ZINC000585120463 1137012106 /nfs/dbraw/zinc/01/21/06/1137012106.db2.gz OOBGYMRLJNFQJH-UHFFFAOYSA-N 0 0 332.429 3.535 50 30 EHEARN N#CC1(c2nc(-c3ccncc3Br)no2)CCCCC1 ZINC000585120247 1137012171 /nfs/dbraw/zinc/01/21/71/1137012171.db2.gz BQSFQZQWBXLCHU-UHFFFAOYSA-N 0 0 333.189 3.620 50 30 EHEARN Cc1c2cccc(C)c2oc1C(=O)Nc1ncc2c(c1C#N)COCC2 ZINC000585125492 1137014887 /nfs/dbraw/zinc/01/48/87/1137014887.db2.gz VGCWATOURHPQAT-UHFFFAOYSA-N 0 0 347.374 3.641 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC[C@@H]2c2ccc(OC)c(F)c2)N=N1 ZINC000952881764 1137483490 /nfs/dbraw/zinc/48/34/90/1137483490.db2.gz RCRDRTHWHIMTBG-MRXNPFEDSA-N 0 0 343.402 3.854 50 30 EHEARN C#CC[C@H](NS(=O)(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000221980935 1138232340 /nfs/dbraw/zinc/23/23/40/1138232340.db2.gz RDZNPALSIVYMEC-HWOXTHGCSA-N 0 0 345.851 3.995 50 30 EHEARN COc1ccc(-c2noc([C@@H](C)Sc3cc(C#N)ccn3)n2)cc1 ZINC000125539927 222575607 /nfs/dbraw/zinc/57/56/07/222575607.db2.gz XVBZTCQWGBWVBI-LLVKDONJSA-N 0 0 338.392 3.865 50 30 EHEARN N#Cc1c(Cl)nsc1NCc1ccnc(OCC(F)(F)F)c1 ZINC000052105915 214118383 /nfs/dbraw/zinc/11/83/83/214118383.db2.gz MXSVCNZWURJJHT-UHFFFAOYSA-N 0 0 348.737 3.616 50 30 EHEARN C=CCOc1c(Cl)cc(CN[C@@H](C)c2nc[nH]n2)cc1Cl ZINC000055401631 214318883 /nfs/dbraw/zinc/31/88/83/214318883.db2.gz RUXOIJHSYSLLKL-VIFPVBQESA-N 0 0 327.215 3.527 50 30 EHEARN COc1ccc(/C=C2\CC[C@@H]3[C@@H](CCCC34OCCO4)C2=O)cc1 ZINC000004533211 210215297 /nfs/dbraw/zinc/21/52/97/210215297.db2.gz VTTUERHBIOYDLZ-ZWOQHNGQSA-N 0 0 328.408 3.601 50 30 EHEARN N#CCCn1cc(C(=O)N2CCCCC2)c(-c2ccc(Cl)cc2)n1 ZINC000004516911 210211264 /nfs/dbraw/zinc/21/12/64/210211264.db2.gz ULVGTLJDZVJJDR-UHFFFAOYSA-N 0 0 342.830 3.743 50 30 EHEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]CC(C)C ZINC000100163119 219093319 /nfs/dbraw/zinc/09/33/19/219093319.db2.gz DKHODNUAGBRPMW-YBFXNURJSA-N 0 0 342.468 3.803 50 30 EHEARN CC(C)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 ZINC000004453193 210193311 /nfs/dbraw/zinc/19/33/11/210193311.db2.gz VTPNRPIASACVEC-HNNXBMFYSA-N 0 0 327.405 3.737 50 30 EHEARN C=CCc1cccc2cc(C(N)=O)/c(=N\c3ccc(OC)cc3)oc21 ZINC000100904226 219110892 /nfs/dbraw/zinc/11/08/92/219110892.db2.gz SNQHOQMRTAMNPJ-LSDHQDQOSA-N 0 0 334.375 3.501 50 30 EHEARN C=CCOc1ccc([C@@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)cc1 ZINC000004387102 210186350 /nfs/dbraw/zinc/18/63/50/210186350.db2.gz YWAXWLCEOGCJCX-INIZCTEOSA-N 0 0 347.370 3.534 50 30 EHEARN Cc1cc(Oc2ccc(/C(N)=N/O)cc2[N+](=O)[O-])cc(C)c1Cl ZINC000004289224 210162041 /nfs/dbraw/zinc/16/20/41/210162041.db2.gz YQVLDAOSZKKZFA-UHFFFAOYSA-N 0 0 335.747 3.752 50 30 EHEARN C=C1C=C[C@H](C(C)(C)OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000004152458 210133803 /nfs/dbraw/zinc/13/38/03/210133803.db2.gz BKGZLGILOGTHAD-ZDUSSCGKSA-N 0 0 346.339 3.961 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc2[nH]ccc21 ZINC000065492114 214932042 /nfs/dbraw/zinc/93/20/42/214932042.db2.gz MYPVWMWZNOBMAF-UHFFFAOYSA-N 0 0 330.347 3.984 50 30 EHEARN C=CCSCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000065577351 214966312 /nfs/dbraw/zinc/96/63/12/214966312.db2.gz JHCOSCQPFDWECK-INIZCTEOSA-N 0 0 329.469 3.639 50 30 EHEARN N#Cc1ccc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000065593791 214973211 /nfs/dbraw/zinc/97/32/11/214973211.db2.gz IYLZGLDJGCYJPC-UHFFFAOYSA-N 0 0 340.231 3.980 50 30 EHEARN COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2OC)cc1 ZINC000004100765 210118365 /nfs/dbraw/zinc/11/83/65/210118365.db2.gz JQNMAEHFTQBROH-JXMROGBWSA-N 0 0 328.364 3.617 50 30 EHEARN COc1cccc2cc(C(=O)/C=C/c3ccc(N(C)C)cc3)c(=O)oc21 ZINC000003911102 210091957 /nfs/dbraw/zinc/09/19/57/210091957.db2.gz JEQINKRQPZVYNM-FMIVXFBMSA-N 0 0 349.386 3.764 50 30 EHEARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003536937 210049555 /nfs/dbraw/zinc/04/95/55/210049555.db2.gz JXFMFCOOVUNELB-LBPRGKRZSA-N 0 0 325.799 3.601 50 30 EHEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003445278 210042041 /nfs/dbraw/zinc/04/20/41/210042041.db2.gz ZZCYPELBTLBVFS-SNVBAGLBSA-N 0 0 345.742 3.526 50 30 EHEARN O=C1Nc2ccccc2C1=NNc1c(F)c(F)c(Cl)c(F)c1F ZINC000102734865 219226340 /nfs/dbraw/zinc/22/63/40/219226340.db2.gz JJXHJNJFGLLZOE-UHFFFAOYSA-N 0 0 343.667 3.665 50 30 EHEARN COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1Cl ZINC000003347882 210014162 /nfs/dbraw/zinc/01/41/62/210014162.db2.gz KKUUWEBHKUKILH-NSHDSACASA-N 0 0 329.787 3.659 50 30 EHEARN N#Cc1c(=O)n(-c2nccs2)c(-c2ccccc2)c2c1CCCC2 ZINC000067257828 215127761 /nfs/dbraw/zinc/12/77/61/215127761.db2.gz OTROYSGLKVTZJI-UHFFFAOYSA-N 0 0 333.416 3.711 50 30 EHEARN COc1cccc(-c2cc(-c3cnc(C(C)C)nc3)c(C#N)c(N)n2)c1 ZINC000067741861 215200679 /nfs/dbraw/zinc/20/06/79/215200679.db2.gz FHODWWXAAGWRCB-UHFFFAOYSA-N 0 0 345.406 3.791 50 30 EHEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccccc1-2 ZINC000002977836 209948081 /nfs/dbraw/zinc/94/80/81/209948081.db2.gz SEOMMJPUBVVPTE-INIZCTEOSA-N 0 0 349.419 3.715 50 30 EHEARN C=C(C)[C@H]1CCC(C)=C1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002911365 209940814 /nfs/dbraw/zinc/94/08/14/209940814.db2.gz ODNGRTYVODPOKA-OAHLLOKOSA-N 0 0 346.339 3.962 50 30 EHEARN COc1cccc(-c2cc(-c3cc(O)ccc3OC)c(C#N)c(N)n2)c1 ZINC000067974759 215263892 /nfs/dbraw/zinc/26/38/92/215263892.db2.gz IPXZCXRPJYBJLG-UHFFFAOYSA-N 0 0 347.374 3.592 50 30 EHEARN O=C(/C=C/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000002597188 209871225 /nfs/dbraw/zinc/87/12/25/209871225.db2.gz QBCFIBAAEMQUHK-MDZDMXLPSA-N 0 0 344.817 3.998 50 30 EHEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1 ZINC000001829852 209796689 /nfs/dbraw/zinc/79/66/89/209796689.db2.gz WOOHKZZRUJMWCW-KRWDZBQOSA-N 0 0 331.412 3.560 50 30 EHEARN N#CCN(Cc1ccccc1)C(=O)c1ccc(Br)s1 ZINC000040222513 213282955 /nfs/dbraw/zinc/28/29/55/213282955.db2.gz KZQLFGIYQTXABT-UHFFFAOYSA-N 0 0 335.226 3.677 50 30 EHEARN NC(=NOCc1coc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000036757170 213116962 /nfs/dbraw/zinc/11/69/62/213116962.db2.gz CYOHVGZCLZEULB-UHFFFAOYSA-N 0 0 327.771 3.832 50 30 EHEARN CC1(C)CO[C@@H](c2ccccc2Cl)CN1C[C@H](C#N)CCC#N ZINC000071902823 215943842 /nfs/dbraw/zinc/94/38/42/215943842.db2.gz OEGHJSPNEWIOBR-WMLDXEAASA-N 0 0 331.847 3.935 50 30 EHEARN CC(=O)C1=C(c2ccc(F)cc2)N(C)C(=S)N[C@H]1c1ccsc1 ZINC000032665978 212824118 /nfs/dbraw/zinc/82/41/18/212824118.db2.gz RHWLYENFXSNKFP-HNNXBMFYSA-N 0 0 346.452 3.749 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000000298268 209523537 /nfs/dbraw/zinc/52/35/37/209523537.db2.gz AXDKPDFNPUOIOM-SNVBAGLBSA-N 0 0 341.392 3.905 50 30 EHEARN C=CCn1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c2ccccc21 ZINC000000187044 209471453 /nfs/dbraw/zinc/47/14/53/209471453.db2.gz YULGBPSFFDQWFS-UHFFFAOYSA-N 0 0 337.375 3.581 50 30 EHEARN CCOc1cc(C#N)c(NC(=O)c2ccc(F)cc2)cc1OCC ZINC000000104035 209422626 /nfs/dbraw/zinc/42/26/26/209422626.db2.gz LHZORVULNWBLRP-UHFFFAOYSA-N 0 0 328.343 3.747 50 30 EHEARN CCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000000061231 209394672 /nfs/dbraw/zinc/39/46/72/209394672.db2.gz NLJQYEMWUZQSPD-KGENOOAVSA-N 0 0 335.407 3.634 50 30 EHEARN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1O ZINC000000049119 209389290 /nfs/dbraw/zinc/38/92/90/209389290.db2.gz MQMJSASATWYVEJ-HYARGMPZSA-N 0 0 341.370 3.651 50 30 EHEARN C[C@H](Oc1ccc(F)cc1)c1nnc(Sc2ccc(C#N)cn2)o1 ZINC000024833087 212442315 /nfs/dbraw/zinc/44/23/15/212442315.db2.gz IBFGZFDLRPDGQZ-JTQLQIEISA-N 0 0 342.355 3.767 50 30 EHEARN COc1ccccc1/N=C1\NN=C(c2c[nH]c3ccccc32)CS1 ZINC000024033986 212405166 /nfs/dbraw/zinc/40/51/66/212405166.db2.gz MYLXGBQTSXFGPE-UHFFFAOYSA-N 0 0 336.420 3.905 50 30 EHEARN N#Cc1ncn(CCC(C#N)(c2ccccc2)c2ccccc2)c1C#N ZINC000193069591 240004854 /nfs/dbraw/zinc/00/48/54/240004854.db2.gz YEFQXKASLZLMEH-UHFFFAOYSA-N 0 0 337.386 3.526 50 30 EHEARN COc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1C ZINC000022476691 212300897 /nfs/dbraw/zinc/30/08/97/212300897.db2.gz HFLIGQNDVZVHAL-UHFFFAOYSA-N 0 0 347.336 3.804 50 30 EHEARN N#Cc1cc(C(=O)N2CCCSc3ccc(Cl)cc32)ccn1 ZINC000193662447 240254011 /nfs/dbraw/zinc/25/40/11/240254011.db2.gz IMFRSJIZELSLIZ-UHFFFAOYSA-N 0 0 329.812 3.749 50 30 EHEARN Cc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)CC(C)(C)C3)cc1Cl ZINC000226761588 242115440 /nfs/dbraw/zinc/11/54/40/242115440.db2.gz GMASIJNXNDZXSK-UHFFFAOYSA-N 0 0 340.810 3.826 50 30 EHEARN N#CCC[C@H](C#N)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000229664257 242190041 /nfs/dbraw/zinc/19/00/41/242190041.db2.gz PTANEBZYOIMWSJ-MLGOLLRUSA-N 0 0 338.238 3.810 50 30 EHEARN N#Cc1ccc(Br)c(CN2CCC(OCC3CC3)CC2)c1 ZINC000242389297 243019686 /nfs/dbraw/zinc/01/96/86/243019686.db2.gz ZVYJEYUTVZKFRU-UHFFFAOYSA-N 0 0 349.272 3.712 50 30 EHEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c[nH]c3ccccc13)O2 ZINC000020649795 212160517 /nfs/dbraw/zinc/16/05/17/212160517.db2.gz KQUXLUHGBFSLGI-NVMNQCDNSA-N 0 0 334.375 3.551 50 30 EHEARN N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCCCn1ccnc1 ZINC000020446618 212129764 /nfs/dbraw/zinc/12/97/64/212129764.db2.gz SMPDBVXHXRJUQL-QPJJXVBHSA-N 0 0 337.358 3.554 50 30 EHEARN CN1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 ZINC000019912748 212084037 /nfs/dbraw/zinc/08/40/37/212084037.db2.gz SXSZQZYFQPCCNH-OTYYAQKOSA-N 0 0 325.358 3.946 50 30 EHEARN Cc1ccccc1[C@H](C#N)NC(=O)c1ccccc1Br ZINC000079049747 217181575 /nfs/dbraw/zinc/18/15/75/217181575.db2.gz LUQYVXHSYQOMGR-HNNXBMFYSA-N 0 0 329.197 3.752 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCC1 ZINC000012526631 211398578 /nfs/dbraw/zinc/39/85/78/211398578.db2.gz MAMFQQBAGRVSRQ-OAHLLOKOSA-N 0 0 335.407 3.564 50 30 EHEARN CCN(/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(C)c(C#N)c(Cl)n1 ZINC000012411819 211371890 /nfs/dbraw/zinc/37/18/90/211371890.db2.gz SAUQBLFOPXJNIH-VXLYETTFSA-N 0 0 343.774 3.684 50 30 EHEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2ccccc2)S1)c1ccc(C)cc1 ZINC000011689722 211233337 /nfs/dbraw/zinc/23/33/37/211233337.db2.gz ZRIAOIYEYUFHNE-JPOGYNCRSA-N 0 0 337.448 3.549 50 30 EHEARN C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000010808164 211190151 /nfs/dbraw/zinc/19/01/51/211190151.db2.gz PGLQWPBPSZGMEP-KCXBLQSVSA-N 0 0 337.419 3.889 50 30 EHEARN CC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000010339480 211166799 /nfs/dbraw/zinc/16/67/99/211166799.db2.gz LYUGKKGNSPVTED-IBGZPJMESA-N 0 0 346.390 3.948 50 30 EHEARN COc1cc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)ccc1O ZINC000009156754 211046598 /nfs/dbraw/zinc/04/65/98/211046598.db2.gz GSZFKASXQMCIDJ-FNORWQNLSA-N 0 0 328.393 3.623 50 30 EHEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C1=O)CCCC2 ZINC000095393203 218325117 /nfs/dbraw/zinc/32/51/17/218325117.db2.gz XRYKWRWQSDKXKJ-NEPJUHHUSA-N 0 0 346.839 3.521 50 30 EHEARN C=CCn1c(S[C@H](C(=O)OCC)C(C)C)nnc1-c1ccoc1C ZINC000095414351 218352047 /nfs/dbraw/zinc/35/20/47/218352047.db2.gz OIKLUIWSAZBNCP-AWEZNQCLSA-N 0 0 349.456 3.712 50 30 EHEARN CCC(CC)n1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2F)n1 ZINC000095429466 218372007 /nfs/dbraw/zinc/37/20/07/218372007.db2.gz WYZUBSHIZCRVGQ-MRXNPFEDSA-N 0 0 332.354 3.517 50 30 EHEARN C[C@H](Oc1cccc2c1OC(C)(C)C2)C(=O)NC1(C#N)CCCCC1 ZINC000008150701 210904034 /nfs/dbraw/zinc/90/40/34/210904034.db2.gz YAKIQXUKEBWIDW-AWEZNQCLSA-N 0 0 342.439 3.510 50 30 EHEARN CCOC(=O)c1sc(N)c(C#N)c1COc1ccccc1Cl ZINC000007167939 210765154 /nfs/dbraw/zinc/76/51/54/210765154.db2.gz LKVPZRXOTBIAII-UHFFFAOYSA-N 0 0 336.800 3.611 50 30 EHEARN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000096134050 218619381 /nfs/dbraw/zinc/61/93/81/218619381.db2.gz HPRCGXNTVHCOET-CQSZACIVSA-N 0 0 337.379 3.603 50 30 EHEARN CCOc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCC2)cc1 ZINC000006768569 210706796 /nfs/dbraw/zinc/70/67/96/210706796.db2.gz PMXVKKVDRPHRND-UHFFFAOYSA-N 0 0 335.411 3.954 50 30 EHEARN CC(C)n1nccc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000096140610 218622680 /nfs/dbraw/zinc/62/26/80/218622680.db2.gz MLHVAIVHMUETRU-UHFFFAOYSA-N 0 0 337.427 3.553 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(Br)c1O ZINC000006639586 210666514 /nfs/dbraw/zinc/66/65/14/210666514.db2.gz NKPBEUDNCITGOU-FARCUNLSSA-N 0 0 349.180 3.765 50 30 EHEARN COc1cccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)c1 ZINC000006007338 210577116 /nfs/dbraw/zinc/57/71/16/210577116.db2.gz OZLOQANUIXMMCD-RGVLZGJSSA-N 0 0 349.419 3.606 50 30 EHEARN O=C(C=Cc1ccccc1)Cc1nc2cc(Cl)ccc2oc1=O ZINC000005731354 210527489 /nfs/dbraw/zinc/52/74/89/210527489.db2.gz HBVLDVCTDNNQIH-IAPFJDDYSA-N 0 0 325.751 3.837 50 30 EHEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005677843 210514981 /nfs/dbraw/zinc/51/49/81/210514981.db2.gz KITZWXLBVUJERP-ORCRQEGFSA-N 0 0 331.711 3.873 50 30 EHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)nc3sccn23)c1 ZINC000096766899 218889469 /nfs/dbraw/zinc/88/94/69/218889469.db2.gz GUECYSRBVONLJF-SREVYHEPSA-N 0 0 325.393 3.559 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(F)cc2)CCO[C@@](C)(CC)C1 ZINC000005068095 210381025 /nfs/dbraw/zinc/38/10/25/210381025.db2.gz ORZBLSWNBVOAST-WDSOQIARSA-N 0 0 333.403 3.745 50 30 EHEARN CCCC1N=NC(=S)N1N=Cc1c(OC)ccc2ccccc21 ZINC000005012110 210359818 /nfs/dbraw/zinc/35/98/18/210359818.db2.gz FAIJMRAOWPBFEU-WOJGMQOQSA-N 0 0 326.425 3.563 50 30 EHEARN COc1ccc(C2N=NC(=S)N2N=CC(C)=Cc2ccco2)cc1 ZINC000004898843 210315632 /nfs/dbraw/zinc/31/56/32/210315632.db2.gz PGXUZOOVLIUXMA-SIBNOYASSA-N 0 0 340.408 3.773 50 30 EHEARN CC(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O ZINC000012879207 258001719 /nfs/dbraw/zinc/00/17/19/258001719.db2.gz CWUONSUTGUMRNQ-XGTDKWECSA-N 0 0 348.354 3.935 50 30 biogenic EHEARN O=C(CCn1cncn1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000330031633 258003049 /nfs/dbraw/zinc/00/30/49/258003049.db2.gz BNABNABWWQVEJG-UHFFFAOYSA-N 0 0 347.831 3.602 50 30 EHEARN C#CCN(C(=O)Nc1cc(OC)c(Cl)cc1OC)C1CCCC1 ZINC000097164627 258012134 /nfs/dbraw/zinc/01/21/34/258012134.db2.gz VFLLUANPFBASQS-UHFFFAOYSA-N 0 0 336.819 3.767 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1C ZINC000007720103 258017934 /nfs/dbraw/zinc/01/79/34/258017934.db2.gz GDQTVQCRFYSAGE-UHFFFAOYSA-N 0 0 333.391 3.873 50 30 EHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000007350073 258053115 /nfs/dbraw/zinc/05/31/15/258053115.db2.gz YTRUQBMGVOCSNN-FMIVXFBMSA-N 0 0 348.402 3.668 50 30 EHEARN CCCCCOc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1 ZINC000032561928 258058327 /nfs/dbraw/zinc/05/83/27/258058327.db2.gz XKLAXZVETKCPGH-CYVLTUHYSA-N 0 0 346.452 3.568 50 30 EHEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C[C@H]1CO1 ZINC000095681765 258067296 /nfs/dbraw/zinc/06/72/96/258067296.db2.gz BKXKCZGEIQKTBI-VKHMYHEASA-N 0 0 326.105 3.879 50 30 EHEARN Cc1nc(CN(C)CCC(C#N)(c2ccccc2)c2ccccc2)no1 ZINC000170607516 258071271 /nfs/dbraw/zinc/07/12/71/258071271.db2.gz DTMYDUSZSHERRE-UHFFFAOYSA-N 0 0 346.434 3.710 50 30 EHEARN N#Cc1nc(-c2ccc(F)cc2)oc1N1CCN(c2ccccc2)CC1 ZINC000000468545 135651169 /nfs/dbraw/zinc/65/11/69/135651169.db2.gz WKZSAYFTGJDJIK-UHFFFAOYSA-N 0 0 348.381 3.679 50 30 EHEARN C#Cc1cccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000040040655 518362889 /nfs/dbraw/zinc/36/28/89/518362889.db2.gz WQRHAWBXXBYGGD-ZDUSSCGKSA-N 0 0 335.432 3.977 50 30 EHEARN C=CCN(Cc1ccc(Cl)s1)CN1C(=O)c2ccccc2C1=O ZINC000023731940 518780500 /nfs/dbraw/zinc/78/05/00/518780500.db2.gz YPTMNULLFCYMDP-UHFFFAOYSA-N 0 0 346.839 3.643 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S ZINC000006238049 518832302 /nfs/dbraw/zinc/83/23/02/518832302.db2.gz UGIBEWDIBNVIIU-NTCAYCPXSA-N 0 0 330.478 3.674 50 30 EHEARN CC(C)CC(=O)O/N=C/c1c(-c2ccccc2)nc2sccn12 ZINC000001387853 519609166 /nfs/dbraw/zinc/60/91/66/519609166.db2.gz JCLKCETVPJDLNA-WOJGMQOQSA-N 0 0 327.409 3.986 50 30 EHEARN CCN1C2=CC(=O)C=CC2=S=C1/C=C1\C=Cc2ccccc2N1CC ZINC000334157890 521542657 /nfs/dbraw/zinc/54/26/57/521542657.db2.gz FCSVXKZFDYAYGQ-DTQAZKPQSA-N 0 0 348.471 3.817 50 30 EHEARN COc1ccc(CN=Nc2nc(C)cc(-c3ccccc3)n2)c(OC)c1 ZINC000004348595 523445904 /nfs/dbraw/zinc/44/59/04/523445904.db2.gz YJGGQDFQOICGQZ-FYJGNVAPSA-N 0 0 348.406 3.915 50 30 EHEARN COc1ccc(CSCc2cccc(C(=O)N(C)C)c2)cc1C#N ZINC000095431242 524126328 /nfs/dbraw/zinc/12/63/28/524126328.db2.gz UNALGRAGQXAXIR-UHFFFAOYSA-N 0 0 340.448 3.702 50 30 EHEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000057525158 524129877 /nfs/dbraw/zinc/12/98/77/524129877.db2.gz BIHVYHAPNCXWSU-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN Cc1ccc(C)c(OCc2nnc(Sc3ccc(C#N)cn3)o2)c1 ZINC000042848381 524184463 /nfs/dbraw/zinc/18/44/63/524184463.db2.gz UNMUTDFQKFQVRO-UHFFFAOYSA-N 0 0 338.392 3.683 50 30 EHEARN C[C@H](CNc1ccc([N+](=O)[O-])cc1)/N=C/c1cc(Cl)ccc1O ZINC000004688215 524507296 /nfs/dbraw/zinc/50/72/96/524507296.db2.gz JHXLTLOPDSCHMD-VDCVXVNISA-N 0 0 333.775 3.873 50 30 EHEARN COc1ccc(OC)c(NN=C(Nc2ccc(C)cc2C)C(C)=O)c1 ZINC000005024076 524843735 /nfs/dbraw/zinc/84/37/35/524843735.db2.gz OXNGBAVUPJUIRG-UHFFFAOYSA-N 0 0 341.411 3.747 50 30 EHEARN Cc1ccc(N(CCC#N)C(=O)COc2ccc(F)cc2F)cc1C ZINC000040068590 524897717 /nfs/dbraw/zinc/89/77/17/524897717.db2.gz GQEZFEKVUAXEIN-UHFFFAOYSA-N 0 0 344.361 3.907 50 30 EHEARN N#CC1(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)CCCC1 ZINC000055832925 526432249 /nfs/dbraw/zinc/43/22/49/526432249.db2.gz DYMWACUTMKYBBX-UHFFFAOYSA-N 0 0 339.439 3.515 50 30 EHEARN N#CCOC(=O)c1ccccc1OCc1ccccc1Br ZINC000005583148 526472945 /nfs/dbraw/zinc/47/29/45/526472945.db2.gz MTKWXFDDDMXVBB-UHFFFAOYSA-N 0 0 346.180 3.708 50 30 EHEARN N#C[C@H](C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000004838739 526504062 /nfs/dbraw/zinc/50/40/62/526504062.db2.gz ZSYMMCPIBXUXPB-NRFANRHFSA-N 0 0 332.447 3.818 50 30 EHEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2ccc(F)cc2)o1 ZINC000030851962 527688875 /nfs/dbraw/zinc/68/88/75/527688875.db2.gz WFVXHPUCVMIWFF-KTKRTIGZSA-N 0 0 340.354 3.936 50 30 EHEARN COc1ccccc1N1CCN(/N=C/c2ccc(SC)cc2)CC1 ZINC000000230040 537062669 /nfs/dbraw/zinc/06/26/69/537062669.db2.gz QTJKBAMDCLJOPO-HMMYKYKNSA-N 0 0 341.480 3.573 50 30 EHEARN Cc1c([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C ZINC000000092049 563222810 /nfs/dbraw/zinc/22/28/10/563222810.db2.gz FFAHNLQVYCMJRE-LJQANCHMSA-N 0 0 336.439 3.950 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)s1 ZINC000002475365 563433447 /nfs/dbraw/zinc/43/34/47/563433447.db2.gz LEICLIPEAKWWBC-KRWDZBQOSA-N 0 0 345.464 3.834 50 30 EHEARN CC[C@@H](C)N1CC(=O)C(c2nc(-c3cccc(Cl)c3)cs2)=C1N ZINC000034769893 563474879 /nfs/dbraw/zinc/47/48/79/563474879.db2.gz LVEORIFNFUCLMX-SNVBAGLBSA-N 0 0 347.871 3.774 50 30 EHEARN CC(C)n1c2ccc(C(=O)NC[C@H](C)C#N)cc2nc1C(F)(F)F ZINC000071908842 563569567 /nfs/dbraw/zinc/56/95/67/563569567.db2.gz HXMVZTKZLXMYBR-SNVBAGLBSA-N 0 0 338.333 3.525 50 30 EHEARN Cc1cc(C(=O)NCCNc2cccc(F)c2C#N)c(C)n1C(C)C ZINC000042715059 563581181 /nfs/dbraw/zinc/58/11/81/563581181.db2.gz VKKZFWUEOXHXDL-UHFFFAOYSA-N 0 0 342.418 3.539 50 30 EHEARN N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)nc1 ZINC000071920537 563623528 /nfs/dbraw/zinc/62/35/28/563623528.db2.gz LMIOLYMAUZZCAB-QGZVFWFLSA-N 0 0 333.370 3.824 50 30 EHEARN Cn1c(CNc2ccc(C(F)(F)F)c(C#N)c2)nnc1C1CCC1 ZINC000126963306 563641889 /nfs/dbraw/zinc/64/18/89/563641889.db2.gz GYQGUNKSDNCMCW-UHFFFAOYSA-N 0 0 335.333 3.585 50 30 EHEARN N#Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccccc2)cc1 ZINC000032664859 563678226 /nfs/dbraw/zinc/67/82/26/563678226.db2.gz FYACYEGDKVBMRC-UHFFFAOYSA-N 0 0 345.402 3.792 50 30 EHEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000013124490 563689190 /nfs/dbraw/zinc/68/91/90/563689190.db2.gz CWUNNMNOQCOWFB-ACJLOTCBSA-N 0 0 348.431 3.755 50 30 EHEARN O=C1N/C(=N/c2ccc(F)cc2)S[C@@H]1Cc1ccc(Cl)cc1 ZINC000013584501 563702955 /nfs/dbraw/zinc/70/29/55/563702955.db2.gz ZKNYHSRMJANWIC-CQSZACIVSA-N 0 0 334.803 3.941 50 30 EHEARN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\Sc2ccccc2C1=O ZINC000013592300 563703201 /nfs/dbraw/zinc/70/32/01/563703201.db2.gz ZEDSNFHLRHEPRQ-PXNMLYILSA-N 0 0 343.360 3.942 50 30 EHEARN C[C@H]1Oc2c(cccc2C(=O)OCCOc2ccc(C#N)cc2)[C@H]1C ZINC000032829429 563758954 /nfs/dbraw/zinc/75/89/54/563758954.db2.gz RSUZWIOALFXXEH-UONOGXRCSA-N 0 0 337.375 3.678 50 30 EHEARN CC(C)c1ccc(CN(C)S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000032837454 563759733 /nfs/dbraw/zinc/75/97/33/563759733.db2.gz FQEFZWUHAKAKIE-UHFFFAOYSA-N 0 0 342.464 3.643 50 30 EHEARN C=CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000032916403 563814903 /nfs/dbraw/zinc/81/49/03/563814903.db2.gz GHTHVPNKOYQCSD-GOSISDBHSA-N 0 0 349.402 3.829 50 30 EHEARN CN1C(=O)/C(=C\C(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000017111686 563836763 /nfs/dbraw/zinc/83/67/63/563836763.db2.gz YIZXXSNZPMPSST-UVTDQMKNSA-N 0 0 342.192 3.692 50 30 EHEARN COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1C ZINC000025757967 563887982 /nfs/dbraw/zinc/88/79/82/563887982.db2.gz DECVIUGQBRVVMK-UHFFFAOYSA-N 0 0 337.419 3.705 50 30 EHEARN Cc1nc2ccccc2n1CCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000046229351 563915975 /nfs/dbraw/zinc/91/59/75/563915975.db2.gz XHLZPZLFQJDXIP-UHFFFAOYSA-N 0 0 335.367 3.627 50 30 EHEARN C=CCn1c(C)cc(C(=O)CN(C)Cc2ccc(Cl)nc2)c1C ZINC000072308174 563916036 /nfs/dbraw/zinc/91/60/36/563916036.db2.gz RZDKBEXVFWWAAR-UHFFFAOYSA-N 0 0 331.847 3.654 50 30 EHEARN CSc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(C)cs2)cc1 ZINC000096420352 563951564 /nfs/dbraw/zinc/95/15/64/563951564.db2.gz DSBFUYAEFFPESR-RISCZKNCSA-N 0 0 332.450 3.817 50 30 EHEARN N#C[C@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1ccccn1 ZINC000096441818 563953099 /nfs/dbraw/zinc/95/30/99/563953099.db2.gz IKMLAKIUIJTKFO-SFHVURJKSA-N 0 0 329.359 3.546 50 30 EHEARN Cc1nc(NC(=O)c2cc(-c3ccco3)on2)sc1SCC#N ZINC000065625240 563962092 /nfs/dbraw/zinc/96/20/92/563962092.db2.gz MSKBCVWQEHZBHA-UHFFFAOYSA-N 0 0 346.393 3.568 50 30 EHEARN COc1cc(/C=C2/C(=O)c3c(c(F)ccc3O)[C@H]2C)cc(OC)c1 ZINC000096809630 563962488 /nfs/dbraw/zinc/96/24/88/563962488.db2.gz ZDUKGVORNXISDR-CEITULEQSA-N 0 0 328.339 3.932 50 30 EHEARN N#Cc1cc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000286649024 563963222 /nfs/dbraw/zinc/96/32/22/563963222.db2.gz ZDMOWWALTCZMCZ-ZDUSSCGKSA-N 0 0 347.340 3.925 50 30 EHEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1C ZINC000000035185 563968033 /nfs/dbraw/zinc/96/80/33/563968033.db2.gz ZRWBGWMBYYMKIZ-UHFFFAOYSA-N 0 0 326.421 3.743 50 30 EHEARN Cn1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c2cc(F)ccc21 ZINC000361655265 563974753 /nfs/dbraw/zinc/97/47/53/563974753.db2.gz OLSHLPMTWXUQJM-ZDUSSCGKSA-N 0 0 332.338 3.684 50 30 EHEARN Cc1c2ccccc2[nH]c1-c1c(C)c(-c2cnn(C)c2)nc(N)c1C#N ZINC000071755234 563983007 /nfs/dbraw/zinc/98/30/07/563983007.db2.gz TYGLOUVAWGLKSF-UHFFFAOYSA-N 0 0 342.406 3.701 50 30 EHEARN N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000119607735 563983124 /nfs/dbraw/zinc/98/31/24/563983124.db2.gz PXMPVFVVLAWEPF-ULQDDVLXSA-N 0 0 344.370 3.884 50 30 EHEARN N#Cc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000014234581 563983605 /nfs/dbraw/zinc/98/36/05/563983605.db2.gz CLGFTSNTXKDRNH-UHFFFAOYSA-N 0 0 325.418 3.924 50 30 EHEARN N#Cc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000014307448 563983937 /nfs/dbraw/zinc/98/39/37/563983937.db2.gz DBTADZLYNAOOQF-UHFFFAOYSA-N 0 0 347.378 3.727 50 30 EHEARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)cc1 ZINC000005150487 563994646 /nfs/dbraw/zinc/99/46/46/563994646.db2.gz HNRZDNFXDSDREU-HBMCJLEFSA-N 0 0 341.499 3.724 50 30 EHEARN N#Cc1ccc(COc2ccc(I)cc2)cc1 ZINC000005453044 564004230 /nfs/dbraw/zinc/00/42/30/564004230.db2.gz CPYHJSBXYDELRI-UHFFFAOYSA-N 0 0 335.144 3.742 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000005518368 564004920 /nfs/dbraw/zinc/00/49/20/564004920.db2.gz AHSPYOXMCJUKPY-KRWDZBQOSA-N 0 0 335.334 3.663 50 30 EHEARN COc1ccc2c(c1)N(C(=O)c1ccc(C3(C#N)CC3)cc1)C[C@@H](C)O2 ZINC000181203312 564017023 /nfs/dbraw/zinc/01/70/23/564017023.db2.gz QFTIDLLONXFGKS-CQSZACIVSA-N 0 0 348.402 3.678 50 30 EHEARN CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cncc(F)c2)cc1 ZINC000101635377 564019486 /nfs/dbraw/zinc/01/94/86/564019486.db2.gz KBNAPLNJKRGEFY-YVEFUNNKSA-N 0 0 339.370 3.695 50 30 EHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)cc1 ZINC000103504659 564022601 /nfs/dbraw/zinc/02/26/01/564022601.db2.gz GQRGMCIOCJALID-CQSZACIVSA-N 0 0 342.782 3.700 50 30 EHEARN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(SC(F)F)cc1 ZINC000047342939 564026123 /nfs/dbraw/zinc/02/61/23/564026123.db2.gz SCWQEUGFCTTZAH-UHFFFAOYSA-N 0 0 347.350 3.818 50 30 EHEARN CCCCOc1ccc(C(=O)C=CNc2cccc(C(N)=O)c2)cc1 ZINC000044843036 564027404 /nfs/dbraw/zinc/02/74/04/564027404.db2.gz MYEPRPGXIWLRJF-VAWYXSNFSA-N 0 0 338.407 3.773 50 30 EHEARN Cc1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c(C)n1Cc1ccco1 ZINC000049405198 564032761 /nfs/dbraw/zinc/03/27/61/564032761.db2.gz DZIYQJWXEYDFEC-SFHVURJKSA-N 0 0 348.406 3.643 50 30 EHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000005782281 564051215 /nfs/dbraw/zinc/05/12/15/564051215.db2.gz TXNQIEROLBAIQZ-INIZCTEOSA-N 0 0 326.783 3.851 50 30 EHEARN C=CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCCC1 ZINC000044085663 564059539 /nfs/dbraw/zinc/05/95/39/564059539.db2.gz CYZRZLDOOFZGNJ-UHFFFAOYSA-N 0 0 341.480 3.841 50 30 EHEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]C(C)C ZINC000001239960 564062499 /nfs/dbraw/zinc/06/24/99/564062499.db2.gz ZALWILQRFMMGTA-VCHYOVAHSA-N 0 0 328.441 3.967 50 30 EHEARN C=CCO[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000072288543 564063793 /nfs/dbraw/zinc/06/37/93/564063793.db2.gz LCIREXGLPMJFHR-CRAIPNDOSA-N 0 0 339.439 3.640 50 30 EHEARN Cc1cccc(NC(=NC(=O)c2ccccc2)NCc2cccnc2)c1 ZINC000046127681 564065604 /nfs/dbraw/zinc/06/56/04/564065604.db2.gz WGMIFGYOODSCKI-UHFFFAOYSA-N 0 0 344.418 3.788 50 30 EHEARN N#CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000084541255 564068655 /nfs/dbraw/zinc/06/86/55/564068655.db2.gz OURBBPMHOSCQIX-MOPGFXCFSA-N 0 0 332.403 3.541 50 30 EHEARN N#Cc1ccc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc1 ZINC000012786964 564070347 /nfs/dbraw/zinc/07/03/47/564070347.db2.gz XJDVUNSLCSSOCY-NVNXTCNLSA-N 0 0 340.285 3.504 50 30 EHEARN C=CCNc1nc(Cl)c(C#N)c2c1CN(C1CCCCC1)CC2 ZINC000013512571 564073882 /nfs/dbraw/zinc/07/38/82/564073882.db2.gz GEUIWOPIBFYVRZ-UHFFFAOYSA-N 0 0 330.863 3.895 50 30 EHEARN C=CC[NH+](CC=C)Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3 ZINC000006174048 564077261 /nfs/dbraw/zinc/07/72/61/564077261.db2.gz ARISFUDOUUHMSS-UHFFFAOYSA-N 0 0 325.408 3.551 50 30 EHEARN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)c2cc(C)oc2C)cc1 ZINC000075126935 564080372 /nfs/dbraw/zinc/08/03/72/564080372.db2.gz DVQUSRBSSHOXOJ-CYBMUJFWSA-N 0 0 341.411 3.946 50 30 EHEARN CCOc1ccc(N(CCC#N)C(=O)[C@H](C)c2c(C)noc2C)cc1 ZINC000075134547 564080536 /nfs/dbraw/zinc/08/05/36/564080536.db2.gz OLIQABLOLZQWEE-CYBMUJFWSA-N 0 0 341.411 3.741 50 30 EHEARN C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1OC ZINC000014086359 564085180 /nfs/dbraw/zinc/08/51/80/564085180.db2.gz GNOOLYDMEWOVJR-ZRDIBKRKSA-N 0 0 339.391 3.921 50 30 EHEARN N#Cc1ccc(COC(=O)c2csc(NCc3ccccc3)n2)cc1 ZINC000006373647 564085284 /nfs/dbraw/zinc/08/52/84/564085284.db2.gz SVZGJGUFIFIXOB-UHFFFAOYSA-N 0 0 349.415 3.984 50 30 EHEARN N#Cc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c(F)c1 ZINC000075467568 564086520 /nfs/dbraw/zinc/08/65/20/564086520.db2.gz OJCYFZDPBAPTFQ-UHFFFAOYSA-N 0 0 331.310 3.804 50 30 EHEARN O=[N+]([O-])c1ccc(/C=N/OCc2cccc(Br)c2)cc1 ZINC000001954228 564090356 /nfs/dbraw/zinc/09/03/56/564090356.db2.gz SQDQPEOCMQZMFU-CXUHLZMHSA-N 0 0 335.157 3.908 50 30 EHEARN C[C@@H](c1nnc(COc2ccccc2C#N)o1)N(C)Cc1ccccc1 ZINC000521393809 564090872 /nfs/dbraw/zinc/09/08/72/564090872.db2.gz LCKQBRYKJMRGKI-HNNXBMFYSA-N 0 0 348.406 3.713 50 30 EHEARN COC(=O)c1ccccc1-c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 ZINC000426472629 564093829 /nfs/dbraw/zinc/09/38/29/564093829.db2.gz FBGGRADSKUUPEI-HNNXBMFYSA-N 0 0 348.402 3.516 50 30 EHEARN CCCCCCCCNC(=O)CC(=O)Nc1cc(Cl)ccc1O ZINC000064859679 564097102 /nfs/dbraw/zinc/09/71/02/564097102.db2.gz VATFNKWOWBWJKB-UHFFFAOYSA-N 0 0 340.851 3.851 50 30 in-vitro EHEARN Cc1cc(C(=O)C(=O)Nc2nncs2)c(C)n1-c1cccc(C)c1 ZINC000006780854 564097620 /nfs/dbraw/zinc/09/76/20/564097620.db2.gz BJTBWKSAENVFMU-UHFFFAOYSA-N 0 0 340.408 3.725 50 30 EHEARN Cn1nccc1-c1cccc(-c2noc(-c3cccc(C#N)c3)n2)c1 ZINC000065137263 564101536 /nfs/dbraw/zinc/10/15/36/564101536.db2.gz JSDBWLHOOLJSQW-UHFFFAOYSA-N 0 0 327.347 3.676 50 30 EHEARN COc1cc(COC(=O)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000007133662 564105377 /nfs/dbraw/zinc/10/53/77/564105377.db2.gz IEKDZFPDUFTZCX-UHFFFAOYSA-N 0 0 333.290 3.525 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000065563398 564107010 /nfs/dbraw/zinc/10/70/10/564107010.db2.gz NNBWTJLWLAMTJJ-CYBMUJFWSA-N 0 0 340.427 3.656 50 30 EHEARN CCCc1sc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1CC ZINC000065553275 564107495 /nfs/dbraw/zinc/10/74/95/564107495.db2.gz RJCREMYTRQUYRR-MRXNPFEDSA-N 0 0 347.528 3.569 50 30 EHEARN CCOC(=O)c1oc2ccccc2c1Cn1nc(C#N)c2ccccc21 ZINC000170594233 564109036 /nfs/dbraw/zinc/10/90/36/564109036.db2.gz XHMCJJOWFMLMKH-UHFFFAOYSA-N 0 0 345.358 3.879 50 30 EHEARN C#CCC(C)(C)C(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000170596787 564109102 /nfs/dbraw/zinc/10/91/02/564109102.db2.gz VIIWIQPZWCCMOF-UHFFFAOYSA-N 0 0 326.465 3.827 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)CCCC(=O)c1ccc(F)cc1 ZINC000071185615 564110798 /nfs/dbraw/zinc/11/07/98/564110798.db2.gz OXZMGYDJXZCDOK-UHFFFAOYSA-N 0 0 342.370 3.714 50 30 EHEARN N#Cc1ccnc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000252478774 564119121 /nfs/dbraw/zinc/11/91/21/564119121.db2.gz AUYZHFBEHZOSRF-UHFFFAOYSA-N 0 0 341.361 3.816 50 30 EHEARN Cc1sc2ncn(N=Cc3cccnc3)c(=O)c2c1-c1ccccc1 ZINC000252606861 564121279 /nfs/dbraw/zinc/12/12/79/564121279.db2.gz GWOMFTBKPFNDII-UHFFFAOYSA-N 0 0 346.415 3.711 50 30 EHEARN N#Cc1ccc(-c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000007779348 564123077 /nfs/dbraw/zinc/12/30/77/564123077.db2.gz NBRRAXJNPAGOIG-UHFFFAOYSA-N 0 0 335.384 3.993 50 30 EHEARN CCC(=NOC(=O)CON=C(C)c1cccs1)c1ccccc1O ZINC000252624864 564123214 /nfs/dbraw/zinc/12/32/14/564123214.db2.gz PWTMQAJSSNTLRU-UHFFFAOYSA-N 0 0 346.408 3.552 50 30 EHEARN CC(=O)N(C)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000252625258 564123239 /nfs/dbraw/zinc/12/32/39/564123239.db2.gz QGCLRURBMTUZLC-UHFFFAOYSA-N 0 0 331.759 3.982 50 30 EHEARN COc1ccccc1N=CC(=CNc1ccccc1OC)[N+](=O)[O-] ZINC000252680240 564124930 /nfs/dbraw/zinc/12/49/30/564124930.db2.gz XWGBSDHUNXYYCY-IPVBNDNJSA-N 0 0 327.340 3.636 50 30 EHEARN C#CCOc1ccccc1NC(=O)N1CCC(c2nccs2)CC1 ZINC000253432052 564131882 /nfs/dbraw/zinc/13/18/82/564131882.db2.gz VOBQMZXZQYPNAJ-UHFFFAOYSA-N 0 0 341.436 3.567 50 30 EHEARN C[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000002352157 564132657 /nfs/dbraw/zinc/13/26/57/564132657.db2.gz OBAYXSPGGAXNFA-NOTPJJMNSA-N 0 0 347.440 3.741 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)OCO4)sc2C1 ZINC000000035589 564132724 /nfs/dbraw/zinc/13/27/24/564132724.db2.gz SSTSMHZXUNYWLC-SNVBAGLBSA-N 0 0 340.404 3.726 50 30 EHEARN CCOC(=O)CSc1nc2c(c([C@@H]3CC=CCC3)c1C#N)CCC2 ZINC000000128863 564132880 /nfs/dbraw/zinc/13/28/80/564132880.db2.gz QDQHNCRJHYQKCD-CYBMUJFWSA-N 0 0 342.464 3.921 50 30 EHEARN COc1ccccc1OCc1nc(C#N)c(NCCc2ccccc2)o1 ZINC000000200348 564132998 /nfs/dbraw/zinc/13/29/98/564132998.db2.gz KMSODMPTJVCUCR-UHFFFAOYSA-N 0 0 349.390 3.788 50 30 EHEARN N#Cc1c2c(sc1NC=C1N=C(c3ccccc3)OC1=O)CCCC2 ZINC000012561081 564135271 /nfs/dbraw/zinc/13/52/71/564135271.db2.gz GALNFFMNWPIMJZ-RVDMUPIBSA-N 0 0 349.415 3.755 50 30 EHEARN Cc1cc(C(F)(F)F)nc(SCc2ccc(C=O)o2)c1C#N ZINC000013004279 564135881 /nfs/dbraw/zinc/13/58/81/564135881.db2.gz TWOYIXYULFQWHM-UHFFFAOYSA-N 0 0 326.299 3.978 50 30 EHEARN Cn1nccc1[C@H]1CCCCN1C(=O)NCC1CCC(F)(F)CC1 ZINC000328586293 564136461 /nfs/dbraw/zinc/13/64/61/564136461.db2.gz SFDNERZVMULGBB-OAHLLOKOSA-N 0 0 340.418 3.687 50 30 EHEARN Cc1cc(CNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)n(C)n1 ZINC000328590593 564136704 /nfs/dbraw/zinc/13/67/04/564136704.db2.gz CVURQXKKCMWWGB-NSHDSACASA-N 0 0 340.349 3.512 50 30 EHEARN CCOc1cccc2[nH]cc(CC(=O)NCCO[C@H]3CCCCO3)c21 ZINC000328592111 564136724 /nfs/dbraw/zinc/13/67/24/564136724.db2.gz PUVFKKOYRZNQQA-SFHVURJKSA-N 0 0 346.427 3.609 50 30 EHEARN Cc1onc(CC(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1C#N ZINC000390835108 564138971 /nfs/dbraw/zinc/13/89/71/564138971.db2.gz CVZQJSQPSAWUOV-GOSISDBHSA-N 0 0 343.386 3.576 50 30 EHEARN COC(=O)N1CCC(=NN=C(c2ccccc2)c2ccccc2)CC1 ZINC000095953149 564142368 /nfs/dbraw/zinc/14/23/68/564142368.db2.gz WOZMQGWMCUGAIK-UHFFFAOYSA-N 0 0 335.407 3.742 50 30 EHEARN N#CC1(CCCN2CCO[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000281405739 564144361 /nfs/dbraw/zinc/14/43/61/564144361.db2.gz QVMMFMCPWSVXRQ-SFHVURJKSA-N 0 0 348.874 3.814 50 30 EHEARN COc1cc(/C=C2/CSc3ccccc3C2=O)cc(OC)c1O ZINC000096032384 564145090 /nfs/dbraw/zinc/14/50/90/564145090.db2.gz QWMHKDNCQVBWCE-GHXNOFRVSA-N 0 0 328.389 3.781 50 30 EHEARN COc1cc(/C=C2/CCc3cc(O)ccc3C2=O)cc(OC)c1OC ZINC000096291734 564146438 /nfs/dbraw/zinc/14/64/38/564146438.db2.gz XOIJNIIJBGOSRE-ZSOIEALJSA-N 0 0 340.375 3.631 50 30 EHEARN N#CCSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 ZINC000002619620 564151187 /nfs/dbraw/zinc/15/11/87/564151187.db2.gz LOQNJDMGZFOUAW-UHFFFAOYSA-N 0 0 341.823 3.714 50 30 EHEARN CCc1c(C)sc(NC(=O)c2ccc(OC)c(OC)c2)c1C#N ZINC000002739038 564152316 /nfs/dbraw/zinc/15/23/16/564152316.db2.gz AYEHUIIWIUFAPS-UHFFFAOYSA-N 0 0 330.409 3.760 50 30 EHEARN COc1cc(C#N)ccc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000029287497 564153240 /nfs/dbraw/zinc/15/32/40/564153240.db2.gz CJZCSPUXUOWVLB-UHFFFAOYSA-N 0 0 341.754 3.849 50 30 EHEARN C=CCNc1nc(-c2ccncc2)nc(-c2ccc(OC)cc2)c1C#N ZINC000003133809 564155372 /nfs/dbraw/zinc/15/53/72/564155372.db2.gz GLTHZMRMEGFVSF-UHFFFAOYSA-N 0 0 343.390 3.684 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000069454909 564169652 /nfs/dbraw/zinc/16/96/52/564169652.db2.gz ZCHAPQUKHVJXAJ-JKSUJKDBSA-N 0 0 336.391 3.708 50 30 EHEARN CSc1cccc(NC(=O)COc2c(C)cc(C#N)cc2C)c1 ZINC000173302263 564169697 /nfs/dbraw/zinc/16/96/97/564169697.db2.gz CSDFDBMJDDOKBR-UHFFFAOYSA-N 0 0 326.421 3.915 50 30 EHEARN N#Cc1ccc(S[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000069841060 564172432 /nfs/dbraw/zinc/17/24/32/564172432.db2.gz DGDFMLSUUPDGSA-CQSZACIVSA-N 0 0 347.237 3.639 50 30 EHEARN N#C[C@H](C(=O)c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1 ZINC000041501627 564173968 /nfs/dbraw/zinc/17/39/68/564173968.db2.gz CAEMIJXXVNZZLR-CYBMUJFWSA-N 0 0 347.399 3.671 50 30 EHEARN N#CC1(C(=O)N2CCC(OCCc3ccccc3)CC2)CCCCC1 ZINC000071835070 564175806 /nfs/dbraw/zinc/17/58/06/564175806.db2.gz ICNMIRISCRIDDR-UHFFFAOYSA-N 0 0 340.467 3.711 50 30 EHEARN Clc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000252636974 568422014 /nfs/dbraw/zinc/42/20/14/568422014.db2.gz XONLFJXNDNIQCR-UHFFFAOYSA-N 0 0 348.797 3.915 50 30 EHEARN C=CCOc1ccc(/C=C\C(=O)Oc2ccc(C(=O)OC)cc2)cc1 ZINC000097986582 1016787786 /nfs/dbraw/zinc/78/77/86/1016787786.db2.gz ZJQXQMFGJZLLGI-MLPAPPSSSA-N 0 0 338.359 3.657 50 30 EHEARN CCc1cc(=O)[nH]c(-c2cccc(N=Cc3cccc(OC)c3O)c2)n1 ZINC000255411898 1023448497 /nfs/dbraw/zinc/44/84/97/1023448497.db2.gz DTVYXXXAKQTKQS-UHFFFAOYSA-N 0 0 349.390 3.876 50 30 EHEARN COc1cc(/C=C\C(=O)c2ccc(C)cc2OC)cc(OC)c1O ZINC000096930511 1039546046 /nfs/dbraw/zinc/54/60/46/1039546046.db2.gz OEEXWKRVCUOEOZ-VURMDHGXSA-N 0 0 328.364 3.623 50 30 EHEARN CC1(NC(=O)NCc2ccncc2OCC(F)(F)F)CCCCC1 ZINC000330954192 1040879967 /nfs/dbraw/zinc/87/99/67/1040879967.db2.gz SKEGQXQQATVFAO-UHFFFAOYSA-N 0 0 345.365 3.749 50 30 EHEARN COc1cc(C#N)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000022368532 1042916191 /nfs/dbraw/zinc/91/61/91/1042916191.db2.gz CIGGHBKVMPWDDT-UHFFFAOYSA-N 0 0 339.391 3.849 50 30 EHEARN C#CCCC1(CCC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)N=N1 ZINC000952880777 1137483196 /nfs/dbraw/zinc/48/31/96/1137483196.db2.gz IHDUKMPHPQZJLU-CHWSQXEVSA-N 0 0 329.366 3.827 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)N=N1 ZINC000952881789 1137483461 /nfs/dbraw/zinc/48/34/61/1137483461.db2.gz MXGGJCUCCVZJOS-SFHVURJKSA-N 0 0 338.455 3.772 50 30 EHEARN CC(=CC(O)=C(C#N)C(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000102018331 1137526207 /nfs/dbraw/zinc/52/62/07/1137526207.db2.gz WRRYWTCMCKCHCN-RTGRKSDTSA-N 0 0 344.842 3.901 50 30 EHEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(SC)cc1)O2 ZINC000006008021 1138843933 /nfs/dbraw/zinc/84/39/33/1138843933.db2.gz NIVHOSFUYMCIJE-CXUHLZMHSA-N 0 0 326.373 3.811 50 30 EHEARN N#Cc1cccc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c1 ZINC000062557214 214722758 /nfs/dbraw/zinc/72/27/58/214722758.db2.gz DXFPDIIQTKNILF-INIZCTEOSA-N 0 0 338.382 3.629 50 30 EHEARN Cc1cccc(Oc2ncccc2NC(=O)CSCC#N)c1C ZINC000055828285 214343252 /nfs/dbraw/zinc/34/32/52/214343252.db2.gz DLYHIGANBIRECH-UHFFFAOYSA-N 0 0 327.409 3.686 50 30 EHEARN Cc1sc2ncnc(N=NCc3cccc([N+](=O)[O-])c3)c2c1C ZINC000004680271 210246351 /nfs/dbraw/zinc/24/63/51/210246351.db2.gz SFFIGDVQKRWQOT-CNHKJKLMSA-N 0 0 327.369 3.662 50 30 EHEARN Nc1nn(-c2ccccc2)c(N)c1N=Nc1cccc(Cl)c1Cl ZINC000004477477 210198683 /nfs/dbraw/zinc/19/86/83/210198683.db2.gz ADGMRYCIKASUEZ-XVMMMKGPSA-N 0 0 347.209 3.741 50 30 EHEARN Cc1ccc(C2=C(C)SN=C(N=Cc3ccc([N+](=O)[O-])o3)N2)cc1 ZINC000101127470 219117288 /nfs/dbraw/zinc/11/72/88/219117288.db2.gz RKRIEOXPAUEXLB-RQZCQDPDSA-N 0 0 342.380 3.911 50 30 EHEARN Cc1cc(-c2cccnc2)c(C#N)c(SCC(=O)OC(C)(C)C)n1 ZINC000004331883 210173591 /nfs/dbraw/zinc/17/35/91/210173591.db2.gz TTXGCJOTWCRYLH-UHFFFAOYSA-N 0 0 341.436 3.758 50 30 EHEARN CC(=O)[C@@H]1[C@@H](c2ccsc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004320356 210170963 /nfs/dbraw/zinc/17/09/63/210170963.db2.gz NHRZDEAKMKXVGO-GUDVDZBRSA-N 0 0 345.427 3.738 50 30 EHEARN CC/N=C1/S/C(=C\c2cn(CC)c3ccccc23)C(=O)N1CC ZINC000101512295 219129599 /nfs/dbraw/zinc/12/95/99/219129599.db2.gz ORGAEAUNIOWANL-QOOZPXINSA-N 0 0 327.453 3.973 50 30 EHEARN N#CCCSc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000004194657 210144110 /nfs/dbraw/zinc/14/41/10/210144110.db2.gz AQUICWOJDLCYKX-UHFFFAOYSA-N 0 0 340.404 3.716 50 30 EHEARN N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1cccnc1 ZINC000004192291 210141714 /nfs/dbraw/zinc/14/17/14/210141714.db2.gz XRMJXZOLMVNXCF-UHFFFAOYSA-N 0 0 340.770 3.786 50 30 EHEARN Oc1ccccc1/C=N/c1cc(Br)c2c(c1)OCCO2 ZINC000004177422 210139841 /nfs/dbraw/zinc/13/98/41/210139841.db2.gz CGICIZNLEQJWLG-RQZCQDPDSA-N 0 0 334.169 3.677 50 30 EHEARN CCO/N=C1/CS[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 ZINC000004108872 210122351 /nfs/dbraw/zinc/12/23/51/210122351.db2.gz TWFWBDZOSUZZIY-OLCHLOJWSA-N 0 0 344.461 3.890 50 30 EHEARN CN(/N=C/c1ccc(OC(F)(F)F)cc1)c1cnc2ccccc2n1 ZINC000003909576 210091362 /nfs/dbraw/zinc/09/13/62/210091362.db2.gz DMALFYPUHQPXPD-LSHDLFTRSA-N 0 0 346.312 3.999 50 30 EHEARN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000003896654 210086295 /nfs/dbraw/zinc/08/62/95/210086295.db2.gz IOYJMUFUANKRRZ-UHFFFAOYSA-N 0 0 325.799 3.806 50 30 EHEARN Cc1cc(=O)oc(C)c1C(=O)N=C(c1ccccc1)c1ccccc1 ZINC000003894284 210085328 /nfs/dbraw/zinc/08/53/28/210085328.db2.gz SBEWTKSWSJQBPG-UHFFFAOYSA-N 0 0 331.371 3.934 50 30 EHEARN CN(CC(=O)Nc1sccc1C#N)Cc1ccc(C(C)(C)C)cc1 ZINC000003540057 210050116 /nfs/dbraw/zinc/05/01/16/210050116.db2.gz SKVXPWBCEYGIAA-UHFFFAOYSA-N 0 0 341.480 3.988 50 30 EHEARN CN(CCC#N)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000003326863 210008434 /nfs/dbraw/zinc/00/84/34/210008434.db2.gz YLLHHSBRUWTHQY-AQTBWJFISA-N 0 0 349.365 3.520 50 30 EHEARN CCc1cc(C#N)c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000067988474 215267961 /nfs/dbraw/zinc/26/79/61/215267961.db2.gz QKMABVYKDXZEHG-UHFFFAOYSA-N 0 0 337.307 3.621 50 30 EHEARN C=CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC ZINC000002313227 209839848 /nfs/dbraw/zinc/83/98/48/209839848.db2.gz UEMWHBYALRKVHV-FOWTUZBSSA-N 0 0 335.359 3.605 50 30 EHEARN CCc1cccc2c(C#N)cn(CC(=O)Nc3ccc(OC)cc3)c21 ZINC000000807262 209688024 /nfs/dbraw/zinc/68/80/24/209688024.db2.gz DRPLMCITYOBVGE-UHFFFAOYSA-N 0 0 333.391 3.723 50 30 EHEARN C[C@@H]1CN(c2oc(Cc3cccc4ccccc43)nc2C#N)C[C@@H](C)O1 ZINC000000543726 209658281 /nfs/dbraw/zinc/65/82/81/209658281.db2.gz PIWVNPGBSDWNSM-HUUCEWRRSA-N 0 0 347.418 3.904 50 30 EHEARN C=C[C@@H]([C@H](OC(C)=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000478254 209627376 /nfs/dbraw/zinc/62/73/76/209627376.db2.gz SPXYZLXRNASYAI-RBUKOAKNSA-N 0 0 344.432 3.628 50 30 EHEARN N#Cc1ccsc1NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000033151367 212902928 /nfs/dbraw/zinc/90/29/28/212902928.db2.gz CNBLMFXYIHSETJ-UHFFFAOYSA-N 0 0 339.445 3.848 50 30 EHEARN CC(=O)c1sc(N=NCc2ccccc2Br)nc1C ZINC000031854441 212753092 /nfs/dbraw/zinc/75/30/92/212753092.db2.gz JAHOSFZLDCWNFD-VIZOYTHASA-N 0 0 338.230 3.863 50 30 EHEARN CCN1C2=C(C(=O)CCC2)C(c2cccc(O)c2)C2=C1CCCC2=O ZINC000000088523 209412390 /nfs/dbraw/zinc/41/23/90/209412390.db2.gz DQNVHRYHGXYFAF-UHFFFAOYSA-N 0 0 337.419 3.826 50 30 EHEARN COc1cc(OC)c(/C=N/c2ccc(O)cc2)cc1Br ZINC000000068328 209399840 /nfs/dbraw/zinc/39/98/40/209399840.db2.gz HOHLEYNZZZDPNP-RQZCQDPDSA-N 0 0 336.185 3.923 50 30 EHEARN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ccccn2)cc1 ZINC000028205829 212603011 /nfs/dbraw/zinc/60/30/11/212603011.db2.gz IDKNBTUGDDRTRH-OAHLLOKOSA-N 0 0 325.437 3.818 50 30 EHEARN CCOc1cccc(COC(=O)c2ccc(C#N)cc2)c1OC(F)F ZINC000024831419 212442732 /nfs/dbraw/zinc/44/27/32/212442732.db2.gz LIBPSZJZEPOFEY-UHFFFAOYSA-N 0 0 347.317 3.915 50 30 EHEARN N#Cc1c(N)cc(N)nc1SCc1ccc(Cl)c(Cl)c1 ZINC000023717294 212391578 /nfs/dbraw/zinc/39/15/78/212391578.db2.gz HUCZXCSXDNHIRA-UHFFFAOYSA-N 0 0 325.224 3.717 50 30 EHEARN N#Cc1ccccc1-c1ccc(CSc2ncc(C#N)c(N)n2)cc1 ZINC000023461163 212378144 /nfs/dbraw/zinc/37/81/44/212378144.db2.gz ZHUBCEBTWOGGIB-UHFFFAOYSA-N 0 0 343.415 3.761 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000022318119 212290165 /nfs/dbraw/zinc/29/01/65/212290165.db2.gz YFCQFSFJHAFMGS-UHFFFAOYSA-N 0 0 347.378 3.727 50 30 EHEARN CC(=O)C1=NN(c2ccccc2)[C@H](C#C[Si](C)(C)C)N1C(C)(C)C ZINC000195529890 240981148 /nfs/dbraw/zinc/98/11/48/240981148.db2.gz LIUQQUFRJPBCLU-QGZVFWFLSA-N 0 0 341.531 3.717 50 30 EHEARN CC(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)c2ccc(F)cc2C1 ZINC000242324480 243017351 /nfs/dbraw/zinc/01/73/51/243017351.db2.gz ZBRJRKFHKJJEQQ-LJQANCHMSA-N 0 0 341.361 3.742 50 30 EHEARN C=CCn1c2ccccc2n(CCCOc2ccc(F)cc2)c1=N ZINC000020069500 212099708 /nfs/dbraw/zinc/09/97/08/212099708.db2.gz BJAOAWRSWZMBGB-UHFFFAOYSA-N 0 0 325.387 3.716 50 30 EHEARN Oc1ccc2ccccc2c1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000019771678 212063581 /nfs/dbraw/zinc/06/35/81/212063581.db2.gz DPHIYJOMKUPDTA-XQNSMLJCSA-N 0 0 345.446 3.697 50 30 EHEARN N#Cc1ccccc1CSc1nnc(N2CCCCC2)n1C1CC1 ZINC000011778995 211246305 /nfs/dbraw/zinc/24/63/05/211246305.db2.gz MREBQRSZMIRSBZ-UHFFFAOYSA-N 0 0 339.468 3.767 50 30 EHEARN Cc1cc(C)c(C#N)c(N[C@H](C)c2cnc(-c3ccncc3)nc2C)n1 ZINC000091849019 218077075 /nfs/dbraw/zinc/07/70/75/218077075.db2.gz PJYPIZOPRJGJCV-OAHLLOKOSA-N 0 0 344.422 3.904 50 30 EHEARN C=CCN1c2cc(NC(=O)C3CCCC3)ccc2OCC(C)(C)C1=O ZINC000008959559 211022724 /nfs/dbraw/zinc/02/27/24/211022724.db2.gz OXHCOUXKMDTWTE-UHFFFAOYSA-N 0 0 342.439 3.753 50 30 EHEARN Cn1cc(-c2nc(CNc3ccc(Cl)c(C#N)c3)cs2)cn1 ZINC000095414814 218353008 /nfs/dbraw/zinc/35/30/08/218353008.db2.gz XYGPROMOLFYQGJ-UHFFFAOYSA-N 0 0 329.816 3.681 50 30 EHEARN Cc1c(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cnn1C1CCCC1 ZINC000095450388 218394341 /nfs/dbraw/zinc/39/43/41/218394341.db2.gz YLPOPODPYFFICO-KRWDZBQOSA-N 0 0 344.365 3.580 50 30 EHEARN C=CCCC(=O)N(CC)CCCC1CCN(C(=O)CCC=C)CC1 ZINC000095452716 218396673 /nfs/dbraw/zinc/39/66/73/218396673.db2.gz ZKWDETBDJOZXOL-UHFFFAOYSA-N 0 0 334.504 3.786 50 30 EHEARN C=C(Br)CN(C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000095972552 218477147 /nfs/dbraw/zinc/47/71/47/218477147.db2.gz GQLDHSKQLQDHMK-CQSZACIVSA-N 0 0 336.208 3.546 50 30 EHEARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1ccc(C#N)cc1 ZINC000007315088 210782929 /nfs/dbraw/zinc/78/29/29/210782929.db2.gz BGNLGASFTWVKGF-FQEVSTJZSA-N 0 0 346.386 3.566 50 30 EHEARN COc1ccc(C(=O)c2c(C)c(CCC#N)n3ccccc23)c(OC)c1 ZINC000006550080 210650889 /nfs/dbraw/zinc/65/08/89/210650889.db2.gz OULBDLWJMWHKPI-UHFFFAOYSA-N 0 0 348.402 3.952 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1c(F)cccc1Cl ZINC000006466772 210637024 /nfs/dbraw/zinc/63/70/24/210637024.db2.gz AFVRGZUYTJNEST-NSHDSACASA-N 0 0 333.746 3.861 50 30 EHEARN COc1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1NC(C)=O ZINC000096402843 218751410 /nfs/dbraw/zinc/75/14/10/218751410.db2.gz TVVIGFLLAOFRHZ-CLTKARDFSA-N 0 0 331.318 3.828 50 30 EHEARN O=C(/C=C\c1cccnc1)c1ccc(I)cc1 ZINC000096792737 218890912 /nfs/dbraw/zinc/89/09/12/218890912.db2.gz LAIYLZVGLXDSRP-BAQGIRSFSA-N 0 0 335.144 3.582 50 30 EHEARN CC/N=C1\S/C(=C\c2ccc(N(CC)CC)cc2)C(=O)N1CC ZINC000005140105 210398474 /nfs/dbraw/zinc/39/84/74/210398474.db2.gz XDMVYAMPPPJNRG-PIVKVMHHSA-N 0 0 331.485 3.845 50 30 EHEARN Cc1nc(SCC(=O)NCC2CCCCC2)c(C#N)c(C)c1C ZINC000005089395 210385832 /nfs/dbraw/zinc/38/58/32/210385832.db2.gz JOOKOKMNIAHRKH-UHFFFAOYSA-N 0 0 331.485 3.667 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1O ZINC000005129194 210397224 /nfs/dbraw/zinc/39/72/24/210397224.db2.gz DJBFLRLTILUGKE-DUXPYHPUSA-N 0 0 332.739 3.679 50 30 EHEARN N#Cc1ccccc1CSc1nc2cc(Br)cnc2[nH]1 ZINC000005067348 210381136 /nfs/dbraw/zinc/38/11/36/210381136.db2.gz DEYMHFHACXKPOV-UHFFFAOYSA-N 0 0 345.225 3.884 50 30 aggregator,in-vitro EHEARN C[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000004952371 210337049 /nfs/dbraw/zinc/33/70/49/210337049.db2.gz OBAYXSPGGAXNFA-JVGDJSOHSA-N 0 0 347.440 3.741 50 30 EHEARN C[C@H](NC(=O)COc1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC000004846956 210299268 /nfs/dbraw/zinc/29/92/68/210299268.db2.gz MRVVJDIIPCUPQR-HILYYZTDSA-N 0 0 338.451 3.658 50 30 EHEARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2F)c1 ZINC000004841928 210296653 /nfs/dbraw/zinc/29/66/53/210296653.db2.gz FMOCLYNRYJGHSO-UHFFFAOYSA-N 0 0 345.761 3.952 50 30 EHEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1ccccn1 ZINC000006741661 258044202 /nfs/dbraw/zinc/04/42/02/258044202.db2.gz UJEDVWMKDOWGSX-UHFFFAOYSA-N 0 0 338.436 3.827 50 30 EHEARN C=CCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21 ZINC000002721551 258046933 /nfs/dbraw/zinc/04/69/33/258046933.db2.gz MKLTWEMMYUPIIE-UHFFFAOYSA-N 0 0 349.434 3.594 50 30 EHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)COc1cccc(NC(=O)CC)c1 ZINC000055060903 258014986 /nfs/dbraw/zinc/01/49/86/258014986.db2.gz VAQLWHJPVAFGTG-NVXWUHKLSA-N 0 0 342.439 3.536 50 30 EHEARN S=C(N/N=C/c1cccc(OC2CSC2)c1)Nc1ccccc1 ZINC000001101620 258048862 /nfs/dbraw/zinc/04/88/62/258048862.db2.gz SGXXGKDUMAPILD-VCHYOVAHSA-N 0 0 343.477 3.501 50 30 EHEARN CCCCOc1cccc(N=NC(C#N)=C(N)N2CCCCC2)c1 ZINC000002176614 258049387 /nfs/dbraw/zinc/04/93/87/258049387.db2.gz XAXVYJLEPZXXAU-KEIKGQSPSA-N 0 0 327.432 3.620 50 30 EHEARN CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1 ZINC000013546531 258056089 /nfs/dbraw/zinc/05/60/89/258056089.db2.gz DUYDPAGDPNXPLV-WJDWOHSUSA-N 0 0 340.404 3.683 50 30 EHEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)cc1 ZINC000019923559 258057128 /nfs/dbraw/zinc/05/71/28/258057128.db2.gz KVXMBXATICMDEQ-KBXCAEBGSA-N 0 0 345.439 3.893 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000069656886 258063810 /nfs/dbraw/zinc/06/38/10/258063810.db2.gz QQNCHVLWHUXHAY-IAGOWNOFSA-N 0 0 339.826 3.781 50 30 EHEARN N#Cc1ccnc(SCc2cccc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000095414964 258067035 /nfs/dbraw/zinc/06/70/35/258067035.db2.gz FZMWDGFYOGIBBK-UHFFFAOYSA-N 0 0 337.307 3.755 50 30 EHEARN CC1(C#N)CCN(C(=O)CCC(=O)c2cccc3ccccc32)CC1 ZINC000221349226 262539053 /nfs/dbraw/zinc/53/90/53/262539053.db2.gz YJVIRTKQARIFHA-UHFFFAOYSA-N 0 0 334.419 3.955 50 30 EHEARN C/C(=N\O)c1ccc(OCCOc2ccc(/C(C)=N/O)cc2)cc1 ZINC000016890254 518469256 /nfs/dbraw/zinc/46/92/56/518469256.db2.gz VRBLJIMDNCZYKK-IWGRKNQJSA-N 0 0 328.368 3.541 50 30 EHEARN C=C(C)CNC(=S)NCc1cccnc1Oc1cccc(F)c1 ZINC000036845709 518609625 /nfs/dbraw/zinc/60/96/25/518609625.db2.gz FFXSOCWPGIKRGP-UHFFFAOYSA-N 0 0 331.416 3.553 50 30 EHEARN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc(C)c2)s1 ZINC000007594231 519086622 /nfs/dbraw/zinc/08/66/22/519086622.db2.gz RKSGPCPRCOITIY-LLVKDONJSA-N 0 0 335.454 3.531 50 30 EHEARN C=CCn1c([C@@H](CCCC)C[C@@H](O)COCCC)n[nH]c1=S ZINC000005737159 519259685 /nfs/dbraw/zinc/25/96/85/519259685.db2.gz SFTZVLUIESDDRA-UONOGXRCSA-N 0 0 327.494 3.578 50 30 EHEARN CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)ccc1O ZINC000014185534 520620067 /nfs/dbraw/zinc/62/00/67/520620067.db2.gz OUUSLNTUILODIV-QPJJXVBHSA-N 0 0 340.375 3.848 50 30 EHEARN COc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)ccc1OC(F)F ZINC000064926182 521937384 /nfs/dbraw/zinc/93/73/84/521937384.db2.gz YPSSQSQCWRHSTJ-FNORWQNLSA-N 0 0 336.338 3.543 50 30 EHEARN COc1cc(C(=O)C=CNc2ccccc2C)cc(OC)c1OC ZINC000000302140 522050531 /nfs/dbraw/zinc/05/05/31/522050531.db2.gz CCTOUFGRMATHSI-MDZDMXLPSA-N 0 0 327.380 3.829 50 30 EHEARN COc1cc(OC)c(C(=O)/C=C/c2ccccc2OC)c(OC)c1 ZINC000004252707 522787725 /nfs/dbraw/zinc/78/77/25/522787725.db2.gz WFWKPRNGXQHUGE-MDZDMXLPSA-N 0 0 328.364 3.617 50 30 EHEARN COc1ccc(C(C)N=Nc2cc(OC)nc(-c3ccccc3)n2)cc1 ZINC000005289580 523360926 /nfs/dbraw/zinc/36/09/26/523360926.db2.gz ZQYCMMSGSBRMAZ-OEAKJJBVSA-N 0 0 348.406 3.997 50 30 EHEARN COc1ccc(C(=O)ON=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)cc1 ZINC000003078340 523772962 /nfs/dbraw/zinc/77/29/62/523772962.db2.gz KSRANBZURDEGMY-UHFFFAOYSA-N 0 0 341.407 3.956 50 30 EHEARN COc1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000319100 524379552 /nfs/dbraw/zinc/37/95/52/524379552.db2.gz ZVEVMVCAZIXLRO-MDZDMXLPSA-N 0 0 343.379 3.530 50 30 EHEARN COc1ccc2[nH]cc(C3=CCN(c4cc(C#N)ccn4)CC3)c2c1 ZINC000328586474 525488055 /nfs/dbraw/zinc/48/80/55/525488055.db2.gz YGZQJIPDBSFFFC-UHFFFAOYSA-N 0 0 330.391 3.737 50 30 EHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1 ZINC000003220346 526443509 /nfs/dbraw/zinc/44/35/09/526443509.db2.gz SUPBUPJQUUQFAS-UHFFFAOYSA-N 0 0 328.755 3.549 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000096425231 526458254 /nfs/dbraw/zinc/45/82/54/526458254.db2.gz NTDSUWZVMPJPOO-UHFFFAOYSA-N 0 0 348.431 3.761 50 30 EHEARN N=C(NOC(=O)CCC1CCCC1)c1ccc(Br)cc1 ZINC000005013533 526806447 /nfs/dbraw/zinc/80/64/47/526806447.db2.gz XQFVDWRZCXKKQU-UHFFFAOYSA-N 0 0 339.233 3.583 50 30 EHEARN Nc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F ZINC000002004482 563417898 /nfs/dbraw/zinc/41/78/98/563417898.db2.gz FWOLORXQTIGHFX-UHFFFAOYSA-N 0 0 328.162 3.631 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C)cc1 ZINC000000090436 563222119 /nfs/dbraw/zinc/22/21/19/563222119.db2.gz MQAJJYWKBLPPGG-SFHVURJKSA-N 0 0 345.398 3.736 50 30 EHEARN COc1ccc(Cl)cc1N(C(C)=O)c1nc(C)cc(C)c1C#N ZINC000000317620 563283412 /nfs/dbraw/zinc/28/34/12/563283412.db2.gz NEEURBNXMQKAFK-UHFFFAOYSA-N 0 0 329.787 3.917 50 30 EHEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N1C(=O)CCSC1=N2 ZINC000000351513 563289775 /nfs/dbraw/zinc/28/97/75/563289775.db2.gz FHMDGAHIAMZTQB-INIZCTEOSA-N 0 0 346.839 3.723 50 30 EHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 ZINC000002069371 563421094 /nfs/dbraw/zinc/42/10/94/563421094.db2.gz FUJUKRTUKNOMKZ-GOSISDBHSA-N 0 0 343.398 3.747 50 30 EHEARN CCOc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000005024817 563519336 /nfs/dbraw/zinc/51/93/36/563519336.db2.gz CZTBTECYXFUJLN-RCCKNPSSSA-N 0 0 343.858 3.895 50 30 EHEARN COc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1OC ZINC000005165410 563521675 /nfs/dbraw/zinc/52/16/75/563521675.db2.gz WSLLLCSESSLPAJ-YBFXNURJSA-N 0 0 339.420 3.695 50 30 EHEARN CO/N=C/C(=NNc1ccc(C)c(C)c1)C(=O)c1ccc(F)cc1 ZINC000005218377 563523168 /nfs/dbraw/zinc/52/31/68/563523168.db2.gz ABPSDKFOSSSAPG-URBIQPSMSA-N 0 0 327.359 3.726 50 30 EHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2)cc1 ZINC000006819627 563587890 /nfs/dbraw/zinc/58/78/90/563587890.db2.gz LVLYLYNABJIPKF-WMZOPIPTSA-N 0 0 347.414 3.700 50 30 EHEARN Cc1cc(C)nc(NC(=N)Nc2cccc(OCc3ccccc3)c2)n1 ZINC000013154370 563691440 /nfs/dbraw/zinc/69/14/40/563691440.db2.gz WUJQDEZSNSBLJB-UHFFFAOYSA-N 0 0 347.422 3.731 50 30 EHEARN C=C(C)CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000032803979 563740913 /nfs/dbraw/zinc/74/09/13/563740913.db2.gz UKONVPGWROIUJN-UHFFFAOYSA-N 0 0 328.343 3.795 50 30 EHEARN N#CCC[C@H](C#N)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000014196834 563749364 /nfs/dbraw/zinc/74/93/64/563749364.db2.gz URSNPIRXYWPOJX-CYBMUJFWSA-N 0 0 334.404 3.569 50 30 EHEARN COC(=O)[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000032899553 563785411 /nfs/dbraw/zinc/78/54/11/563785411.db2.gz PCDBKRKQIUMWHV-FQEVSTJZSA-N 0 0 334.419 3.753 50 30 EHEARN C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000017070803 563833149 /nfs/dbraw/zinc/83/31/49/563833149.db2.gz YDNGFDCGMGWVHB-QGOAFFKASA-N 0 0 336.844 3.659 50 30 EHEARN CCOC(=O)C1=C(Cc2ccc(CC)cc2)C(=O)c2ccccc2C1=O ZINC000018203392 563851060 /nfs/dbraw/zinc/85/10/60/563851060.db2.gz IJIMFOHIBAZYMA-UHFFFAOYSA-N 0 0 348.398 3.730 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)cn1 ZINC000025749956 563887681 /nfs/dbraw/zinc/88/76/81/563887681.db2.gz COYLWDYQFIFPRD-HZMBPMFUSA-N 0 0 345.390 3.635 50 30 EHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000043509137 563891911 /nfs/dbraw/zinc/89/19/11/563891911.db2.gz GXPNNZBTMXVHKL-IEBWSBKVSA-N 0 0 342.487 3.527 50 30 EHEARN Cc1c(C#N)c(NC(=O)Cc2ccccc2)sc1C(=O)OC(C)C ZINC000000484411 563920176 /nfs/dbraw/zinc/92/01/76/563920176.db2.gz QXUTYEONZMCXCQ-UHFFFAOYSA-N 0 0 342.420 3.675 50 30 EHEARN C=CCO[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071803630 563922479 /nfs/dbraw/zinc/92/24/79/563922479.db2.gz DMMWVRGGFQXXCC-QWRGUYRKSA-N 0 0 348.374 3.856 50 30 EHEARN Cc1nc(-c2ccc(-n3ccnc3-c3cccc(C#N)c3)cc2)n[nH]1 ZINC000071416302 563934569 /nfs/dbraw/zinc/93/45/69/563934569.db2.gz HFXJGIQIYVVHNZ-UHFFFAOYSA-N 0 0 326.363 3.505 50 30 EHEARN CCn1nc(C)c(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)c1C ZINC000058356766 563943515 /nfs/dbraw/zinc/94/35/15/563943515.db2.gz CNXYUYFEGJXJIA-VOTSOKGWSA-N 0 0 334.803 3.784 50 30 EHEARN Cc1ccc(-c2nc(CON=C3CCC4(CC3)OCCO4)cs2)o1 ZINC000058356939 563943626 /nfs/dbraw/zinc/94/36/26/563943626.db2.gz XZXVPLWVSWCHOK-UHFFFAOYSA-N 0 0 348.424 3.901 50 30 EHEARN CCN(CC(=O)Nc1ccccc1Cc1ccccc1)C[C@H](C)C#N ZINC000060038315 563949500 /nfs/dbraw/zinc/94/95/00/563949500.db2.gz AXEZOZANNPGDGH-QGZVFWFLSA-N 0 0 335.451 3.697 50 30 EHEARN Cc1nnc(-c2cccc(C#N)c2)n1Cc1coc(-c2cccs2)n1 ZINC000096417382 563951243 /nfs/dbraw/zinc/95/12/43/563951243.db2.gz ALZRCAKLFUSCEL-UHFFFAOYSA-N 0 0 347.403 3.890 50 30 EHEARN CCOc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)cc1OC ZINC000096812634 563962653 /nfs/dbraw/zinc/96/26/53/563962653.db2.gz UAKAJYSQGIBGBW-ZROIWOOFSA-N 0 0 340.375 3.761 50 30 EHEARN CCCCCCCCCNC(=O)C(=O)Nc1ccccc1OCC ZINC000098001490 563970925 /nfs/dbraw/zinc/97/09/25/563970925.db2.gz YNXLWOLGHXNIAX-UHFFFAOYSA-N 0 0 334.460 3.891 50 30 EHEARN CC1CCN(CN2c3ccccc3/C(=N/c3ccccc3)C2=O)CC1 ZINC000033285882 563972965 /nfs/dbraw/zinc/97/29/65/563972965.db2.gz VDQYHWZTJISQLS-XDOYNYLZSA-N 0 0 333.435 3.843 50 30 EHEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C=C(NCCc3c[nH]cn3)C2)cc1 ZINC000100432745 563982611 /nfs/dbraw/zinc/98/26/11/563982611.db2.gz RGRKCJNYATUFGD-INIZCTEOSA-N 0 0 337.467 3.870 50 30 EHEARN N#Cc1c(N)nc(-c2cnn(-c3ccc(F)cc3)c2)cc1-c1ccco1 ZINC000071752877 563982986 /nfs/dbraw/zinc/98/29/86/563982986.db2.gz XNJDJYPOSXLRPI-UHFFFAOYSA-N 0 0 345.337 3.787 50 30 EHEARN Cc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1ccc(CO)o1 ZINC000071763079 563983060 /nfs/dbraw/zinc/98/30/60/563983060.db2.gz BXTDIYOALCLQND-UHFFFAOYSA-N 0 0 339.782 3.917 50 30 EHEARN N#Cc1cccc(-c2nccn2CC[C@H]2COc3ccccc3O2)c1 ZINC000071767562 563983076 /nfs/dbraw/zinc/98/30/76/563983076.db2.gz BINIKWHWPAPKHV-KRWDZBQOSA-N 0 0 331.375 3.652 50 30 EHEARN CC(C)n1cc(C#N)c(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)n1 ZINC000119979246 563983907 /nfs/dbraw/zinc/98/39/07/563983907.db2.gz ADFUFWTZEJUADG-ZFWWWQNUSA-N 0 0 341.415 3.934 50 30 EHEARN N#Cc1nc(COc2ccccc2Cl)oc1NCc1cccnc1 ZINC000000200302 563988306 /nfs/dbraw/zinc/98/83/06/563988306.db2.gz NMRIJSJFWARSAW-UHFFFAOYSA-N 0 0 340.770 3.786 50 30 EHEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000000261593 563989701 /nfs/dbraw/zinc/98/97/01/563989701.db2.gz QSWYRTBLPCAZLC-LJQANCHMSA-N 0 0 335.403 3.522 50 30 EHEARN CN(C)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)cc1 ZINC000426433645 563995729 /nfs/dbraw/zinc/99/57/29/563995729.db2.gz LCJVZVBOVKMRQU-INIZCTEOSA-N 0 0 333.435 3.795 50 30 EHEARN C#C[C@@H](CC)Oc1ccc(COC(=O)CSc2ccncc2)cc1 ZINC000252484929 563997766 /nfs/dbraw/zinc/99/77/66/563997766.db2.gz GKSMENCRFNZJFA-INIZCTEOSA-N 0 0 341.432 3.708 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000000428049 563998836 /nfs/dbraw/zinc/99/88/36/563998836.db2.gz CJDRESMJUOCQEV-VQIMIIECSA-N 0 0 340.375 3.608 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(F)cc1 ZINC000000428092 563998851 /nfs/dbraw/zinc/99/88/51/563998851.db2.gz XECCUGFXZOZYLE-QAPCUYQASA-N 0 0 328.339 3.738 50 30 EHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2)C1=O ZINC000000458597 564000696 /nfs/dbraw/zinc/00/06/96/564000696.db2.gz WNEKJLWVQKMLPG-NTCAYCPXSA-N 0 0 337.400 3.840 50 30 EHEARN CC[C@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O ZINC000005574974 564005727 /nfs/dbraw/zinc/00/57/27/564005727.db2.gz XCNZYAJNAYUKSU-LUWUVMDLSA-N 0 0 331.372 3.667 50 30 EHEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1C ZINC000005589056 564006065 /nfs/dbraw/zinc/00/60/65/564006065.db2.gz YBOSQJMETQYNHB-SXGWCWSVSA-N 0 0 340.404 3.606 50 30 EHEARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000005602346 564006280 /nfs/dbraw/zinc/00/62/80/564006280.db2.gz LTDOGIFRPIPDRY-UHFFFAOYSA-N 0 0 328.437 3.965 50 30 EHEARN C#Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000140233 564012097 /nfs/dbraw/zinc/01/20/97/564012097.db2.gz HHAHHVBAIRBUJO-UHFFFAOYSA-N 0 0 326.204 3.776 50 30 EHEARN CC1(C)Cc2c(C#N)c3nc(-c4ccc(Cl)cc4)cnn3c2CO1 ZINC000000522560 564021113 /nfs/dbraw/zinc/02/11/13/564021113.db2.gz BAHQKXQRBFBFCJ-UHFFFAOYSA-N 0 0 338.798 3.773 50 30 EHEARN N#Cc1nc(-c2cccs2)oc1NCc1ccc2c(c1)OCO2 ZINC000000544605 564022647 /nfs/dbraw/zinc/02/26/47/564022647.db2.gz BMYZDGLQRGNKEY-UHFFFAOYSA-N 0 0 325.349 3.616 50 30 EHEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(OCC)cc1 ZINC000000545801 564022713 /nfs/dbraw/zinc/02/27/13/564022713.db2.gz AGGCLYPIRCEBJP-KGENOOAVSA-N 0 0 335.407 3.630 50 30 EHEARN N#Cc1cccc(Oc2ccc(NC(=O)C3(C#N)CCOCC3)cc2)c1 ZINC000109142961 564028693 /nfs/dbraw/zinc/02/86/93/564028693.db2.gz DUKNYAJMLRZIQX-UHFFFAOYSA-N 0 0 347.374 3.609 50 30 EHEARN C=CCNc1nnc(SCc2cn3cc(Cl)ccc3n2)s1 ZINC000005754075 564028853 /nfs/dbraw/zinc/02/88/53/564028853.db2.gz OLVAUUBFNNUKQL-UHFFFAOYSA-N 0 0 337.861 3.729 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048265726 564030393 /nfs/dbraw/zinc/03/03/93/564030393.db2.gz KFCWVDQYSKJHMS-ZDUSSCGKSA-N 0 0 348.362 3.992 50 30 EHEARN O=C(/C=C/c1csc(-c2ncccn2)n1)c1ccc(F)cc1F ZINC000048332335 564031154 /nfs/dbraw/zinc/03/11/54/564031154.db2.gz JCZHPMPNZPNBKP-HWKANZROSA-N 0 0 329.331 3.774 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)[C@H](C#N)c1ccccn1 ZINC000049456369 564032733 /nfs/dbraw/zinc/03/27/33/564032733.db2.gz DXKRZPRKSDKROW-YAINUAMHSA-N 0 0 342.402 3.774 50 30 EHEARN COc1ccc(-c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc1OC ZINC000001050000 564054229 /nfs/dbraw/zinc/05/42/29/564054229.db2.gz OZGIMUSAQPATST-CHWSQXEVSA-N 0 0 341.411 3.713 50 30 EHEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cnccn3)sc2C1 ZINC000005901909 564056864 /nfs/dbraw/zinc/05/68/64/564056864.db2.gz USMRQZNJLQFALM-LLVKDONJSA-N 0 0 340.452 3.813 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)c1 ZINC000012532828 564058294 /nfs/dbraw/zinc/05/82/94/564058294.db2.gz BZQZKCSOQSFDTE-LJQANCHMSA-N 0 0 330.391 3.625 50 30 EHEARN N#C[C@H](C(=O)c1cc(=O)c2ccccc2o1)c1ccc2ccccc2n1 ZINC000012559983 564059508 /nfs/dbraw/zinc/05/95/08/564059508.db2.gz KIGLENHEEZIFTN-HNNXBMFYSA-N 0 0 340.338 3.831 50 30 EHEARN C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc2c(c1)CCCC2 ZINC000012581144 564060069 /nfs/dbraw/zinc/06/00/69/564060069.db2.gz MLNDDMLJWKKPLC-OAHLLOKOSA-N 0 0 334.419 3.693 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000015317429 564060613 /nfs/dbraw/zinc/06/06/13/564060613.db2.gz OYNKGDACOGTJJT-ZDUSSCGKSA-N 0 0 328.799 3.638 50 30 EHEARN C#C[C@](O)(c1ccc(C)cc1)[C@@H]1CC[C@@H]1[C@@](O)(C#C)c1ccc(C)cc1 ZINC000006845874 564070828 /nfs/dbraw/zinc/07/08/28/564070828.db2.gz BHRAKBJCLIOPRY-NVPYSNMXSA-N 0 0 344.454 3.671 50 30 EHEARN Cn1c(CSc2cc(C#N)ccn2)nnc1-c1ccc(Cl)cc1 ZINC000185004802 564070898 /nfs/dbraw/zinc/07/08/98/564070898.db2.gz VIGDSXDCSBAVJZ-UHFFFAOYSA-N 0 0 341.827 3.694 50 30 EHEARN C=CCn1c(C)cc(-c2csc(NC(=O)[C@H]3CCCO3)n2)c1C ZINC000012811672 564072845 /nfs/dbraw/zinc/07/28/45/564072845.db2.gz KEPKLAAZSLOTAA-OAHLLOKOSA-N 0 0 331.441 3.532 50 30 EHEARN CCSCc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)no1 ZINC000185327318 564073374 /nfs/dbraw/zinc/07/33/74/564073374.db2.gz FLWISTYKOLCCLZ-UHFFFAOYSA-N 0 0 332.429 3.608 50 30 EHEARN O=C(NCC#CCOc1cccc(C(F)(F)F)c1)[C@H]1CC=CCC1 ZINC000085474086 564073547 /nfs/dbraw/zinc/07/35/47/564073547.db2.gz FJIZGRHPBXPUAL-AWEZNQCLSA-N 0 0 337.341 3.560 50 30 EHEARN C=CCc1cccc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)c1O ZINC000000206224 564074545 /nfs/dbraw/zinc/07/45/45/564074545.db2.gz DCBPMHZOTTWNDE-UHFFFAOYSA-N 0 0 349.434 3.531 50 30 EHEARN C=C[C@@H]([C@@H](OC(C)=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000478256 564074578 /nfs/dbraw/zinc/07/45/78/564074578.db2.gz SPXYZLXRNASYAI-OALUTQOASA-N 0 0 344.432 3.628 50 30 EHEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1 ZINC000002402311 564074846 /nfs/dbraw/zinc/07/48/46/564074846.db2.gz IESKQYSHWVGSOF-SFHVURJKSA-N 0 0 347.370 3.533 50 30 EHEARN C#CCN=c1cc2oc3cc(N(C)C)ccc3nc-2c2ccccc21 ZINC000526058470 564077251 /nfs/dbraw/zinc/07/72/51/564077251.db2.gz YFCBWOFMYCEIRK-UHFFFAOYSA-N 0 0 327.387 3.686 50 30 EHEARN O=S(=O)(N/N=C1\CCCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000019227254 564077344 /nfs/dbraw/zinc/07/73/44/564077344.db2.gz BNFGMPOSUMVOSX-WQYLVOBCSA-N 0 0 328.437 3.679 50 30 EHEARN COc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000006250359 564083259 /nfs/dbraw/zinc/08/32/59/564083259.db2.gz NYSNFKADKGDWMJ-GFCCVEGCSA-N 0 0 340.448 3.934 50 30 EHEARN C=CCNC(=O)Nc1ccc(Br)cc1Br ZINC000006293446 564083674 /nfs/dbraw/zinc/08/36/74/564083674.db2.gz HZMZXWYNZOXPSJ-UHFFFAOYSA-N 0 0 334.011 3.519 50 30 EHEARN CCc1sc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000006432621 564086734 /nfs/dbraw/zinc/08/67/34/564086734.db2.gz HBPGFSVHNWQAJG-GFCCVEGCSA-N 0 0 342.420 3.675 50 30 EHEARN CSc1nc(C2CC2)cc(C(=O)OCc2c(C)noc2C)c1C#N ZINC000026983673 564091943 /nfs/dbraw/zinc/09/19/43/564091943.db2.gz MRXGWUAZUFDYHG-UHFFFAOYSA-N 0 0 343.408 3.514 50 30 EHEARN N#Cc1cccc(NC(=O)CNc2ccccc2N2CCCCC2)c1 ZINC000007973123 564095574 /nfs/dbraw/zinc/09/55/74/564095574.db2.gz AGFDVNHIEKYBOB-UHFFFAOYSA-N 0 0 334.423 3.599 50 30 EHEARN N#Cc1ccc(N2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000267479527 564095607 /nfs/dbraw/zinc/09/56/07/564095607.db2.gz BRCQJLHRFQMYNC-CJNGLKHVSA-N 0 0 343.408 3.620 50 30 EHEARN COc1ccc(-c2nnc(SCc3ccccc3C#N)n2C)cc1 ZINC000007006380 564103058 /nfs/dbraw/zinc/10/30/58/564103058.db2.gz BQUZKIWZJRDASL-UHFFFAOYSA-N 0 0 336.420 3.655 50 30 EHEARN N#Cc1ccc(CS(=O)(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000065578008 564107689 /nfs/dbraw/zinc/10/76/89/564107689.db2.gz YYDUWOXBCORPLL-UHFFFAOYSA-N 0 0 339.338 3.692 50 30 EHEARN C=CCCO[C@@H](C)C(=O)Nc1sccc1C(=O)OC(C)(C)C ZINC000170598557 564109215 /nfs/dbraw/zinc/10/92/15/564109215.db2.gz ZNDPVKHOLNZJEH-NSHDSACASA-N 0 0 325.430 3.623 50 30 EHEARN COCC(=O)Nc1ccc(OCc2ccccc2C(C)(C)C#N)cc1 ZINC000089620902 564112747 /nfs/dbraw/zinc/11/27/47/564112747.db2.gz VUZUPVQSQHSXED-UHFFFAOYSA-N 0 0 338.407 3.652 50 30 EHEARN N#CC1(NC(=O)c2ccc(SC(F)(F)F)cc2)CCSCC1 ZINC000089781050 564113692 /nfs/dbraw/zinc/11/36/92/564113692.db2.gz NKOLOWZZWSOYQF-UHFFFAOYSA-N 0 0 346.399 3.818 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000089858195 564114299 /nfs/dbraw/zinc/11/42/99/564114299.db2.gz RYSAAQAHUDBQJG-IRLDBZIGSA-N 0 0 345.446 3.618 50 30 EHEARN CC[C@](C)(NC(=O)Nc1cccc(OCC#N)c1)c1nc(C)cs1 ZINC000076069243 564115359 /nfs/dbraw/zinc/11/53/59/564115359.db2.gz VSCZRBVYZHVHQT-KRWDZBQOSA-N 0 0 344.440 3.801 50 30 EHEARN CCCc1c(NC(=O)c2cc(C#N)c[nH]2)cnn1-c1ccc(C)cc1 ZINC000373890391 564122157 /nfs/dbraw/zinc/12/21/57/564122157.db2.gz FCVPZUBJQMARTE-UHFFFAOYSA-N 0 0 333.395 3.585 50 30 EHEARN Cc1nccn1-c1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000000083779 564132794 /nfs/dbraw/zinc/13/27/94/564132794.db2.gz BGHZRQQBPAQMSF-UHFFFAOYSA-N 0 0 327.391 3.732 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(F)c1 ZINC000000315191 564133099 /nfs/dbraw/zinc/13/30/99/564133099.db2.gz RKCSKLCQFVOQIL-UHFFFAOYSA-N 0 0 349.321 3.795 50 30 EHEARN N#Cc1cccnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000007051460 564133865 /nfs/dbraw/zinc/13/38/65/564133865.db2.gz SSYAHIFDDDHWMR-UHFFFAOYSA-N 0 0 338.219 3.991 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000077437509 564134290 /nfs/dbraw/zinc/13/42/90/564134290.db2.gz CGLNEMPTWHUGJQ-IBGZPJMESA-N 0 0 346.430 3.612 50 30 EHEARN N#Cc1cccc(N2CCC[C@@](CO)(CCCc3ccccc3)C2)n1 ZINC000067723997 564134904 /nfs/dbraw/zinc/13/49/04/564134904.db2.gz ZUXUYCAZMORRKR-NRFANRHFSA-N 0 0 335.451 3.555 50 30 EHEARN COc1cc(/C=C/C(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000012797340 564135589 /nfs/dbraw/zinc/13/55/89/564135589.db2.gz YHKVLLDTOIBNAT-VQHVLOKHSA-N 0 0 344.317 3.820 50 30 EHEARN Cc1ncsc1C(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000328587416 564136529 /nfs/dbraw/zinc/13/65/29/564136529.db2.gz PDRRZBXBEVJDRZ-CQSZACIVSA-N 0 0 346.843 3.933 50 30 EHEARN CCO[C@H]1C[C@H](N(C)C(=O)Nc2cn(C)nc2C(C)C)C12CCCC2 ZINC000328588734 564136625 /nfs/dbraw/zinc/13/66/25/564136625.db2.gz VVYAYJFPKYNBPV-HOTGVXAUSA-N 0 0 348.491 3.759 50 30 EHEARN [O-]C(=[NH+]c1ccc(F)c(C2CC2)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000328588968 564136660 /nfs/dbraw/zinc/13/66/60/564136660.db2.gz ZKVQKAOBILOXEB-OAHLLOKOSA-N 0 0 328.391 3.610 50 30 EHEARN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCCc3ccc(F)cc32)no1 ZINC000328588946 564136665 /nfs/dbraw/zinc/13/66/65/564136665.db2.gz UONCHSDQQPPHGX-HOTGVXAUSA-N 0 0 344.390 3.646 50 30 EHEARN CC[C@H](OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1ccccc1 ZINC000328592456 564136736 /nfs/dbraw/zinc/13/67/36/564136736.db2.gz OCTBQROXDXWDEU-KRWDZBQOSA-N 0 0 327.380 3.848 50 30 EHEARN CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)cc1Cl ZINC000328593340 564136780 /nfs/dbraw/zinc/13/67/80/564136780.db2.gz IUQKJXSSLIYEAN-UHFFFAOYSA-N 0 0 328.796 3.614 50 30 EHEARN Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000328728208 564137221 /nfs/dbraw/zinc/13/72/21/564137221.db2.gz DRNWAFFPFJKBLA-MRXNPFEDSA-N 0 0 338.411 3.527 50 30 EHEARN Cc1csc([C@@H](C#N)C(=O)c2ccc(N3CCCC3)c(F)c2)n1 ZINC000093242863 564137336 /nfs/dbraw/zinc/13/73/36/564137336.db2.gz HPYFUIWEMOPVLB-ZDUSSCGKSA-N 0 0 329.400 3.681 50 30 EHEARN COc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc2ccccc21 ZINC000390833788 564138859 /nfs/dbraw/zinc/13/88/59/564138859.db2.gz NBKIKMHJDFQSCD-CQSZACIVSA-N 0 0 342.358 3.610 50 30 EHEARN COc1cccc(C=CC(=O)[C@H](C#N)c2nc3ccccc3o2)c1OC ZINC000096310765 564146685 /nfs/dbraw/zinc/14/66/85/564146685.db2.gz PTKWMTWNIZLCOI-BMSUMIBZSA-N 0 0 348.358 3.735 50 30 EHEARN Cc1nc(C=CC(=O)[C@H](C#N)c2nc3ccccc3s2)cs1 ZINC000096400711 564147048 /nfs/dbraw/zinc/14/70/48/564147048.db2.gz FJFZZJWSMBEWOP-DGMVEKRQSA-N 0 0 325.418 3.951 50 30 EHEARN Cc1ccccc1[C@@H](C#N)NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000096414434 564147685 /nfs/dbraw/zinc/14/76/85/564147685.db2.gz XXVFOIALLXZGEN-MRXNPFEDSA-N 0 0 337.404 3.635 50 30 EHEARN CCc1onc(C)c1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000097099411 564149376 /nfs/dbraw/zinc/14/93/76/564149376.db2.gz ZDNNBELNOLKGGU-UHFFFAOYSA-N 0 0 336.298 3.663 50 30 EHEARN N#Cc1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)F ZINC000002766601 564152536 /nfs/dbraw/zinc/15/25/36/564152536.db2.gz OTMCJAQSNOQISN-UHFFFAOYSA-N 0 0 349.138 3.968 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(Oc2cnccn2)cc1 ZINC000058158803 564157800 /nfs/dbraw/zinc/15/78/00/564157800.db2.gz RLRLMJIZJNYTEJ-UHFFFAOYSA-N 0 0 333.307 3.792 50 30 EHEARN Cc1ncc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)s1 ZINC000058332087 564158673 /nfs/dbraw/zinc/15/86/73/564158673.db2.gz WIGQFABFPVGPGR-UHFFFAOYSA-N 0 0 339.342 3.528 50 30 EHEARN N#Cc1cccc(COc2ccccc2I)c1 ZINC000031656876 564159634 /nfs/dbraw/zinc/15/96/34/564159634.db2.gz NPRQWLINCDONMI-UHFFFAOYSA-N 0 0 335.144 3.742 50 30 EHEARN CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000008127408 564162881 /nfs/dbraw/zinc/16/28/81/564162881.db2.gz YDXWESYAFBIJIJ-UHFFFAOYSA-N 0 0 329.403 3.782 50 30 EHEARN CCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccncc1 ZINC000069349380 564168858 /nfs/dbraw/zinc/16/88/58/564168858.db2.gz AWAAIMXEBHORTA-KRWDZBQOSA-N 0 0 349.463 3.895 50 30 EHEARN CCC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2)c1 ZINC000069844518 564172457 /nfs/dbraw/zinc/17/24/57/564172457.db2.gz RPGNFSDSXNUJIV-MRXNPFEDSA-N 0 0 341.798 3.683 50 30 EHEARN CCN(CC)c1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)cc1 ZINC000027436162 568422253 /nfs/dbraw/zinc/42/22/53/568422253.db2.gz FIJOFUUQGBYKPA-LFIBNONCSA-N 0 0 325.364 3.560 50 30 EHEARN N#Cc1cccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)c1 ZINC000225579361 568423141 /nfs/dbraw/zinc/42/31/41/568423141.db2.gz PEBJBBOTAMAFEB-UHFFFAOYSA-N 0 0 346.375 3.870 50 30 EHEARN Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 ZINC000013022718 1017597729 /nfs/dbraw/zinc/59/77/29/1017597729.db2.gz SEZNCUAXTOVYMC-FMIVXFBMSA-N 0 0 333.347 3.985 50 30 EHEARN C[C@H](OCC1CC1)C(=O)NCCCNC(=O)C=Cc1ccccc1 ZINC000328589346 1017952667 /nfs/dbraw/zinc/95/26/67/1017952667.db2.gz SWHSWEZFCCDIPH-NKSUMMKUSA-N 0 0 330.428 3.818 50 30 EHEARN COC(=O)c1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1 ZINC000013137524 1034783541 /nfs/dbraw/zinc/78/35/41/1034783541.db2.gz MMTWBQPTEICEAT-MDWZMJQESA-N 0 0 328.364 3.984 50 30 EHEARN Cc1c(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc(C#N)n1C ZINC000014076812 1038243597 /nfs/dbraw/zinc/24/35/97/1038243597.db2.gz MLYJDCUELLIHEX-CNHKJKLMSA-N 0 0 349.434 3.718 50 30 EHEARN CCn1cc(C(=O)NCC2(OC)CCC(C)CC2)c(C(F)(F)F)n1 ZINC000331241846 1040910535 /nfs/dbraw/zinc/91/05/35/1040910535.db2.gz PANKNWLWQWGUOY-UHFFFAOYSA-N 0 0 347.381 3.822 50 30 EHEARN COCCNC(=S)NN=C(C)c1ccc(C2CCCCC2)cc1 ZINC000254631217 1041021279 /nfs/dbraw/zinc/02/12/79/1041021279.db2.gz RBJGINRIAQDDLZ-UHFFFAOYSA-N 0 0 333.501 3.569 50 30 EHEARN C=C(C)C[C@H](C)C(=O)N1CC2(CC(OC)(OC)C2)[C@H]1c1ccccc1 ZINC000585126804 1137017171 /nfs/dbraw/zinc/01/71/71/1137017171.db2.gz IWIHATZPFSFCRG-FUHWJXTLSA-N 0 0 343.467 3.942 50 30 EHEARN C#CCCC1(CCC(=O)N2CCc3c2cccc3C(F)(F)F)N=N1 ZINC000952879185 1137483291 /nfs/dbraw/zinc/48/32/91/1137483291.db2.gz BASPUHHYPLSRGT-UHFFFAOYSA-N 0 0 335.329 3.950 50 30 EHEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccc(F)cc1 ZINC000000352664 1137869399 /nfs/dbraw/zinc/86/93/99/1137869399.db2.gz XXKPSWDJOOCQIF-UHFFFAOYSA-N 0 0 327.322 3.619 50 30 EHEARN N#Cc1ccc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000050647210 214063351 /nfs/dbraw/zinc/06/33/51/214063351.db2.gz WBGAWSMVHFSMJO-JZHDPFOFSA-N 0 0 342.402 3.811 50 30 EHEARN Cc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(C)cc3)C2(C#N)C(N)=O)cc1 ZINC000051330058 214088729 /nfs/dbraw/zinc/08/87/29/214088729.db2.gz ZZPUNLAEKOTUBD-PMACEKPBSA-N 0 0 346.430 3.529 50 30 EHEARN Cc1ccc([C@H]2CC(=O)C[C@H](c3ccc(C)cc3)C2(C#N)C(N)=O)cc1 ZINC000051330057 214089255 /nfs/dbraw/zinc/08/92/55/214089255.db2.gz ZZPUNLAEKOTUBD-WOJBJXKFSA-N 0 0 346.430 3.529 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000004719741 210258251 /nfs/dbraw/zinc/25/82/51/210258251.db2.gz WQDAYAKSSKFTJG-QGZVFWFLSA-N 0 0 345.826 3.871 50 30 EHEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000055161128 214282338 /nfs/dbraw/zinc/28/23/38/214282338.db2.gz AARNXMRADQFOEB-LGCDCWIJSA-N 0 0 330.468 3.694 50 30 EHEARN Cc1cccc(C2N=NC(=S)N2N=Cc2cc(C)c(O)c(C)c2)c1 ZINC000004691337 210249466 /nfs/dbraw/zinc/24/94/66/210249466.db2.gz YILPOSABUVQTIY-VXLYETTFSA-N 0 0 338.436 3.747 50 30 EHEARN C=CCN1C(=O)C(C#N)=C(C)C(=NNc2ccc(C(C)=O)cc2)C1=O ZINC000004649403 210236611 /nfs/dbraw/zinc/23/66/11/210236611.db2.gz XOKIQZVUJZPMQU-QZQOTICOSA-N 0 0 336.351 3.538 50 30 EHEARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000058426951 214584908 /nfs/dbraw/zinc/58/49/08/214584908.db2.gz PPWXWVMKVYANAH-CQSZACIVSA-N 0 0 345.402 3.828 50 30 EHEARN Cc1ccc(C(=O)C(=CNN)N=Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000100134040 219092355 /nfs/dbraw/zinc/09/23/55/219092355.db2.gz PLSCUBIDNBPERS-NISSZXTISA-N 0 0 349.221 3.897 50 30 EHEARN Cc1ccc(N2C(=O)CS/C2=N\C(=S)Nc2ccccc2)cc1 ZINC000100136978 219092480 /nfs/dbraw/zinc/09/24/80/219092480.db2.gz GHCVYILDDNHSNH-ZPHPHTNESA-N 0 0 341.461 3.828 50 30 EHEARN N#Cc1cnn2c1ncc1c(C=CNc3ccc(F)cc3F)nccc12 ZINC000100913936 219110768 /nfs/dbraw/zinc/11/07/68/219110768.db2.gz AKSCFNSLRRAWJX-HWKANZROSA-N 0 0 348.316 3.510 50 30 EHEARN C(=NNc1ccc2nncn2n1)c1c2ccccc2cc2ccccc21 ZINC000004379936 210183092 /nfs/dbraw/zinc/18/30/92/210183092.db2.gz KHISJFPSXKLIDJ-CIAFOILYSA-N 0 0 338.374 3.877 50 30 EHEARN CCO/N=C1/CS[C@H]2c3ccccc3C(=O)N2Cc2sccc21 ZINC000004108873 210122407 /nfs/dbraw/zinc/12/24/07/210122407.db2.gz TWFWBDZOSUZZIY-SKQHNDAPSA-N 0 0 344.461 3.890 50 30 EHEARN C=CCn1c(S[C@H]2CCCC2=O)nnc1-c1ccc(Cl)cc1 ZINC000003565332 210056519 /nfs/dbraw/zinc/05/65/19/210056519.db2.gz MDLOOAUPZFNBEG-AWEZNQCLSA-N 0 0 333.844 3.998 50 30 EHEARN O=C(C1=C(O)C(=O)N[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102578439 219211383 /nfs/dbraw/zinc/21/13/83/219211383.db2.gz HKNUZWDKBQISCI-SXWSKBOKSA-N 0 0 348.185 3.703 50 30 EHEARN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1c(F)cccc1Cl ZINC000003409009 210031222 /nfs/dbraw/zinc/03/12/22/210031222.db2.gz AVOPKBXHASLTQC-LBPRGKRZSA-N 0 0 345.805 3.810 50 30 EHEARN COc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1F ZINC000102871058 219236607 /nfs/dbraw/zinc/23/66/07/219236607.db2.gz LDSNCGFJGZQMEZ-CZIZESTLSA-N 0 0 343.427 3.773 50 30 EHEARN Cc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000067282990 215130161 /nfs/dbraw/zinc/13/01/61/215130161.db2.gz JYHVWLAAXVSQNN-SFHVURJKSA-N 0 0 339.370 3.611 50 30 EHEARN C=CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000102986732 219245800 /nfs/dbraw/zinc/24/58/00/219245800.db2.gz HFSDCGQZBRMPPA-PLACYPQZSA-N 0 0 343.426 3.911 50 30 EHEARN COc1ccccc1-c1cc(-c2cnn(C(C)C)c2)c(C#N)c(N)n1 ZINC000067739657 215198554 /nfs/dbraw/zinc/19/85/54/215198554.db2.gz DLCZCOPDBGFFPO-UHFFFAOYSA-N 0 0 333.395 3.655 50 30 EHEARN O=C(O/N=C/c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000002743210 209900333 /nfs/dbraw/zinc/90/03/33/209900333.db2.gz TXOQBEUVHCSPHE-CXUHLZMHSA-N 0 0 349.140 3.548 50 30 EHEARN N#C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000068455285 215308970 /nfs/dbraw/zinc/30/89/70/215308970.db2.gz APTJMDDHHLMWTE-FZMZJTMJSA-N 0 0 327.211 3.633 50 30 EHEARN O=C(/C=C/c1c(Cl)nc2sccn12)OCC#Cc1ccccc1 ZINC000040157155 213276063 /nfs/dbraw/zinc/27/60/63/213276063.db2.gz GRMCEOLTDFEHMU-CMDGGOBGSA-N 0 0 342.807 3.657 50 30 EHEARN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(C#N)cc1 ZINC000040108467 213266994 /nfs/dbraw/zinc/26/69/94/213266994.db2.gz UPJCFQTYEBGFMN-GFCCVEGCSA-N 0 0 343.224 3.682 50 30 EHEARN C=CCn1c(SCc2cccc(C#N)c2)nc2sccc2c1=O ZINC000036855159 213123625 /nfs/dbraw/zinc/12/36/25/213123625.db2.gz VBLSVZRKFFPSJV-UHFFFAOYSA-N 0 0 339.445 3.808 50 30 EHEARN Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000036744108 213115725 /nfs/dbraw/zinc/11/57/25/213115725.db2.gz ODMCEIIDMFEVDA-UHFFFAOYSA-N 0 0 341.268 3.583 50 30 EHEARN COc1cc2oc(C)c(C)c2cc1C(C)=CC(=O)Nc1nc[nH]n1 ZINC000035598246 213041166 /nfs/dbraw/zinc/04/11/66/213041166.db2.gz XSEFVKXPKAUVIU-WEVVVXLNSA-N 0 0 326.356 3.868 50 30 EHEARN CC(C)(C)c1nc(C#N)c(NCCc2nc(-c3ccccc3)no2)o1 ZINC000035671832 213045146 /nfs/dbraw/zinc/04/51/46/213045146.db2.gz NENWFIDCXCTBCB-UHFFFAOYSA-N 0 0 337.383 3.548 50 30 EHEARN Cc1ccccc1-n1cc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)cn1 ZINC000071614183 215789533 /nfs/dbraw/zinc/78/95/33/215789533.db2.gz YEMMLRLIUXXNOU-UHFFFAOYSA-N 0 0 340.390 3.692 50 30 EHEARN C[C@@H]1c2cccc(C(=O)OCCOc3ccc(C#N)cc3)c2O[C@H]1C ZINC000032829424 212852636 /nfs/dbraw/zinc/85/26/36/212852636.db2.gz RSUZWIOALFXXEH-KBPBESRZSA-N 0 0 337.375 3.678 50 30 EHEARN N#Cc1ccccc1OS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032755118 212835123 /nfs/dbraw/zinc/83/51/23/212835123.db2.gz LDRRRKIEIIBGNL-UHFFFAOYSA-N 0 0 335.384 3.993 50 30 EHEARN CSc1ccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)cc1 ZINC000000170902 209461720 /nfs/dbraw/zinc/46/17/20/209461720.db2.gz KSRASSYXJVRZRN-UHFFFAOYSA-N 0 0 339.420 3.883 50 30 EHEARN CCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N ZINC000000157398 209458097 /nfs/dbraw/zinc/45/80/97/209458097.db2.gz CKVFYRQXZWHDBC-UHFFFAOYSA-N 0 0 348.358 3.822 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc(Cl)c2)C1 ZINC000000151179 209454362 /nfs/dbraw/zinc/45/43/62/209454362.db2.gz XILWDWRQRJAEQE-OAHLLOKOSA-N 0 0 328.803 3.590 50 30 EHEARN C[C@H](c1cccc(C#N)c1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190039446 238185620 /nfs/dbraw/zinc/18/56/20/238185620.db2.gz OQYLZXXSYFCUED-CQSZACIVSA-N 0 0 342.389 3.881 50 30 EHEARN CCOc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)cc1OC ZINC000022958088 212340031 /nfs/dbraw/zinc/34/00/31/212340031.db2.gz UAKAJYSQGIBGBW-NTEUORMPSA-N 0 0 340.375 3.761 50 30 EHEARN COc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)cc(OC)c1O ZINC000023055018 212345787 /nfs/dbraw/zinc/34/57/87/212345787.db2.gz SEQRRIDZRJLLIN-KPKJPENVSA-N 0 0 344.338 3.597 50 30 EHEARN O=C1c2ccc(O)cc2O/C1=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000023043308 212344281 /nfs/dbraw/zinc/34/42/81/212344281.db2.gz HOFCEHWSGPTYCF-VIZOYTHASA-N 0 0 344.750 3.823 50 30 EHEARN N#Cc1c(N)nc(NCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000214079721 241097563 /nfs/dbraw/zinc/09/75/63/241097563.db2.gz FCPUBGNNVUIIOU-UHFFFAOYSA-N 0 0 335.798 3.863 50 30 EHEARN N#Cc1cccc(C(=O)Nc2sccc2-c2nc(C3CC3)no2)c1 ZINC000206891574 241057141 /nfs/dbraw/zinc/05/71/41/241057141.db2.gz LEASTWMKYRYOIJ-UHFFFAOYSA-N 0 0 336.376 3.799 50 30 EHEARN N#Cc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c1 ZINC000021106089 212207547 /nfs/dbraw/zinc/20/75/47/212207547.db2.gz JHWWTZLGHJLUSW-SFHVURJKSA-N 0 0 346.415 3.781 50 30 EHEARN COc1ccc(/C=C2\CN(C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000020229202 212113131 /nfs/dbraw/zinc/11/31/31/212113131.db2.gz OKMDTMGJNJKWAE-MGYAYREDSA-N 0 0 349.430 3.685 50 30 EHEARN CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000019832566 212073093 /nfs/dbraw/zinc/07/30/93/212073093.db2.gz NGUTXGFPJVCMPH-UHFFFAOYSA-N 0 0 337.419 3.786 50 30 EHEARN FC(F)(F)c1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000019798435 212070237 /nfs/dbraw/zinc/07/02/37/212070237.db2.gz UKFXNEPDUKJVAV-OEAKJJBVSA-N 0 0 347.384 3.857 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1Cl ZINC000019788305 212066899 /nfs/dbraw/zinc/06/68/99/212066899.db2.gz BCVHLICDPLGCEO-QGZVFWFLSA-N 0 0 349.789 3.620 50 30 EHEARN CC(C)Sc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000019708120 212056139 /nfs/dbraw/zinc/05/61/39/212056139.db2.gz FKMQPNLAOTYLQI-UHFFFAOYSA-N 0 0 331.485 3.905 50 30 EHEARN COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)c2C#N)cc1 ZINC000019558032 212042023 /nfs/dbraw/zinc/04/20/23/212042023.db2.gz MRLXWWMHZSUXIV-UHFFFAOYSA-N 0 0 346.346 3.786 50 30 EHEARN COC(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 ZINC000078568674 217078647 /nfs/dbraw/zinc/07/86/47/217078647.db2.gz ZMOSKPXYOJUMTG-UHFFFAOYSA-N 0 0 340.404 3.731 50 30 EHEARN C[C@H](Sc1nnc2n(C)c3ccccc3n12)c1ccc(C#N)cc1 ZINC000080305769 217296740 /nfs/dbraw/zinc/29/67/40/217296740.db2.gz PLKDMJZBFOXZLZ-LBPRGKRZSA-N 0 0 333.420 3.946 50 30 EHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc([N+](=O)[O-])s1 ZINC000012526628 211398431 /nfs/dbraw/zinc/39/84/31/211398431.db2.gz QLANFWCFJXNYCT-UHFFFAOYSA-N 0 0 349.371 3.703 50 30 EHEARN Cc1cccc(/N=C2\NC(=O)[C@H](Cc3ccc(C)c(Cl)c3)S2)n1 ZINC000012378225 211359977 /nfs/dbraw/zinc/35/99/77/211359977.db2.gz KICJEZOKLMQJCF-AWEZNQCLSA-N 0 0 345.855 3.814 50 30 EHEARN N#Cc1ccccc1OCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000012265854 211332167 /nfs/dbraw/zinc/33/21/67/211332167.db2.gz INRAZQDDTXQROA-FQEVSTJZSA-N 0 0 348.427 3.904 50 30 EHEARN C(#Cc1ccccc1-c1cn(C2CCOCC2)nn1)c1ccccc1 ZINC000091586505 218025588 /nfs/dbraw/zinc/02/55/88/218025588.db2.gz ABURCVXOKHZUKZ-UHFFFAOYSA-N 0 0 329.403 3.696 50 30 EHEARN CSc1ccc(CN(C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000011759060 211245021 /nfs/dbraw/zinc/24/50/21/211245021.db2.gz HDFRQQRYYPBUGY-UHFFFAOYSA-N 0 0 343.452 3.561 50 30 EHEARN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000092021819 218105360 /nfs/dbraw/zinc/10/53/60/218105360.db2.gz HNVDTNRQMFZKEE-LJQANCHMSA-N 0 0 331.460 3.631 50 30 EHEARN CSc1ccc(/C=C2\CS(=O)(=O)c3c(F)cccc3C2=O)cc1 ZINC000009762334 211122814 /nfs/dbraw/zinc/12/28/14/211122814.db2.gz XLFQIMXZSNNDLW-FMIVXFBMSA-N 0 0 348.420 3.601 50 30 EHEARN N#Cc1cccnc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000009295608 211064037 /nfs/dbraw/zinc/06/40/37/211064037.db2.gz VPYXSKAWNXWQMG-UHFFFAOYSA-N 0 0 338.219 3.991 50 30 EHEARN COc1cc(C#N)cc(Cl)c1OCc1cc(F)cc2c1OCOC2 ZINC000008777138 211005683 /nfs/dbraw/zinc/00/56/83/211005683.db2.gz UKXKVZQGGOUZBE-UHFFFAOYSA-N 0 0 349.745 3.805 50 30 EHEARN CC(C)N(C)C(=O)CC1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000095398905 218331620 /nfs/dbraw/zinc/33/16/20/218331620.db2.gz PBHGJIIOYFAMFF-UHFFFAOYSA-N 0 0 333.863 3.685 50 30 EHEARN Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)s1 ZINC000095409045 218345157 /nfs/dbraw/zinc/34/51/57/218345157.db2.gz XYWUNHDYWAJMEB-LBPRGKRZSA-N 0 0 328.441 3.619 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(NCCCC(C)(C)C#N)c1C ZINC000095417964 218357817 /nfs/dbraw/zinc/35/78/17/218357817.db2.gz SVPYXNDNQJWKSD-UHFFFAOYSA-N 0 0 337.489 3.889 50 30 EHEARN C[C@@H]1CN(c2ccccc2NCc2ccc(C#N)s2)C[C@H](C)O1 ZINC000095431119 218373853 /nfs/dbraw/zinc/37/38/53/218373853.db2.gz ZAGRQJKQVYWMJP-OKILXGFUSA-N 0 0 327.453 3.845 50 30 EHEARN CCCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000008195130 210911609 /nfs/dbraw/zinc/91/16/09/210911609.db2.gz DKJVKCPQLXFIGP-UHFFFAOYSA-N 0 0 335.432 3.970 50 30 EHEARN CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1 ZINC000095573398 218438940 /nfs/dbraw/zinc/43/89/40/218438940.db2.gz JZWXMCPARMXZQV-UHFFFAOYSA-N 0 0 341.411 3.640 50 30 in-vitro EHEARN CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)[C@H](c2ccccc2)O1 ZINC000096061902 218555598 /nfs/dbraw/zinc/55/55/98/218555598.db2.gz NYRMIJKDBAQCHC-INIZCTEOSA-N 0 0 333.309 3.934 50 30 EHEARN C=CCNc1nc2c(cnn2C)c(Nc2ccc(C)c(Cl)c2)n1 ZINC000006941285 210747903 /nfs/dbraw/zinc/74/79/03/210747903.db2.gz VOGSOBRILXLOCJ-UHFFFAOYSA-N 0 0 328.807 3.667 50 30 EHEARN CCSC1=N/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)S1 ZINC000005102072 210389928 /nfs/dbraw/zinc/38/99/28/210389928.db2.gz HJDJSYAVUWZJEF-OQFOIZHKSA-N 0 0 327.814 3.792 50 30 EHEARN N#Cc1cccc(NCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000004904700 210317741 /nfs/dbraw/zinc/31/77/41/210317741.db2.gz IMODXAZCZHENGE-UHFFFAOYSA-N 0 0 341.414 3.876 50 30 EHEARN CCOC(=O)c1sc(=S)n(C)c1NC(=O)c1ccccc1C ZINC000004889416 210313160 /nfs/dbraw/zinc/31/31/60/210313160.db2.gz FJDITQFSOLIXQG-UHFFFAOYSA-N 0 0 336.438 3.938 50 30 EHEARN C[C@@H](NC(=O)COc1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC000004846957 210298682 /nfs/dbraw/zinc/29/86/82/210298682.db2.gz MRVVJDIIPCUPQR-LFPRZYRFSA-N 0 0 338.451 3.658 50 30 EHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000004784383 210276970 /nfs/dbraw/zinc/27/69/70/210276970.db2.gz AVQBEBPFZVFVIB-QFIPXVFZSA-N 0 0 349.430 3.605 50 30 EHEARN C=CCN(CC=C)C(=O)c1sc2nc(C)c(Cl)c(C)c2c1N ZINC000004754012 210270907 /nfs/dbraw/zinc/27/09/07/210270907.db2.gz KAZZNFGMYZRWEH-UHFFFAOYSA-N 0 0 335.860 3.963 50 30 EHEARN CC(C)(C#N)CCN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000097599180 219039066 /nfs/dbraw/zinc/03/90/66/219039066.db2.gz XUKJJGQRULMQJA-FQEVSTJZSA-N 0 0 335.407 3.547 50 30 EHEARN C[C@@H]1CCC[C@@H](OCc2nnc(COc3ccc(C#N)cc3)o2)C1 ZINC000521393738 257948697 /nfs/dbraw/zinc/94/86/97/257948697.db2.gz QXYDBCLCOQAIIR-CZUORRHYSA-N 0 0 327.384 3.616 50 30 EHEARN O=C1c2cccc(F)c2SC/C1=C\c1ccc2c(c1)OCCO2 ZINC000096925164 258001876 /nfs/dbraw/zinc/00/18/76/258001876.db2.gz CBKQYBZLKIROQK-XYOKQWHBSA-N 0 0 328.364 3.969 50 30 EHEARN O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc[nH]c(=O)c1 ZINC000330032892 258002304 /nfs/dbraw/zinc/00/23/04/258002304.db2.gz TZQLPLNAOQFIJN-UHFFFAOYSA-N 0 0 333.800 3.598 50 30 EHEARN C=C(C)COc1cccc(NC(=O)N(Cc2cnn(C)c2)C2CC2)c1 ZINC000096166301 258012497 /nfs/dbraw/zinc/01/24/97/258012497.db2.gz APMRXWBOPWGSSQ-UHFFFAOYSA-N 0 0 340.427 3.572 50 30 EHEARN COc1cc(C(=O)/C=C/c2cc(F)ccc2F)cc(OC)c1OC ZINC000040139560 258059835 /nfs/dbraw/zinc/05/98/35/258059835.db2.gz XCZZQASUVGSTLR-QPJJXVBHSA-N 0 0 334.318 3.887 50 30 EHEARN CC(=O)[C@]12O[C@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253498954 258073498 /nfs/dbraw/zinc/07/34/98/258073498.db2.gz LHNVKVKZPHUYQO-QCPSMULASA-N 0 0 328.452 3.855 50 30 EHEARN C=CCc1cc(CN[C@H](CC)c2ncnn2C)ccc1OC(C)C ZINC000055414394 519132981 /nfs/dbraw/zinc/13/29/81/519132981.db2.gz PHZOAITZNJBGCR-QGZVFWFLSA-N 0 0 328.460 3.572 50 30 EHEARN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000241231013 519141416 /nfs/dbraw/zinc/14/14/16/519141416.db2.gz KRFXFFSVIMXGIA-MRXNPFEDSA-N 0 0 338.455 3.941 50 30 EHEARN C=CCn1c(C)nnc1S[C@H](C)c1nc(-c2cccs2)no1 ZINC000026030254 519174725 /nfs/dbraw/zinc/17/47/25/519174725.db2.gz IMAUYRDTOROUHW-SECBINFHSA-N 0 0 333.442 3.737 50 30 EHEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1cnccn1 ZINC000000530843 519245130 /nfs/dbraw/zinc/24/51/30/519245130.db2.gz SMLKIKNUSZLRLP-UHFFFAOYSA-N 0 0 343.843 3.867 50 30 EHEARN C=CCn1c([C@@H](CCCC)C[C@@H](O)COCC(C)C)n[nH]c1=S ZINC000005737156 519259889 /nfs/dbraw/zinc/25/98/89/519259889.db2.gz YMMCAWZUKOBVRL-LSDHHAIUSA-N 0 0 341.521 3.824 50 30 EHEARN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000065565049 519598286 /nfs/dbraw/zinc/59/82/86/519598286.db2.gz NVMPOKFBAWGDTK-HXUWFJFHSA-N 0 0 349.434 3.595 50 30 EHEARN CC(C)Oc1ccc(N(C)C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279899390 519780315 /nfs/dbraw/zinc/78/03/15/519780315.db2.gz DMJXDYXJTOELAF-GOSISDBHSA-N 0 0 347.418 3.691 50 30 EHEARN CCCCN(CC#Cc1ccccc1)C(=O)c1cccc2nccnc21 ZINC000055199267 520440088 /nfs/dbraw/zinc/44/00/88/520440088.db2.gz WDFVIYWUVNFWOR-UHFFFAOYSA-N 0 0 343.430 3.924 50 30 EHEARN CCOc1ccc(C(=O)CC(=Nc2ccc(C)cc2)C(=O)OC)cc1 ZINC000101099501 520871613 /nfs/dbraw/zinc/87/16/13/520871613.db2.gz PGLOGZNXZCIEPF-AQTBWJFISA-N 0 0 339.391 3.745 50 30 EHEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000004046207 520881932 /nfs/dbraw/zinc/88/19/32/520881932.db2.gz AHVCEGBXANWKRA-LDADJPATSA-N 0 0 328.372 3.593 50 30 EHEARN N#CC1(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CCCC1 ZINC000328588747 526429873 /nfs/dbraw/zinc/42/98/73/526429873.db2.gz WAOWZZIHSROYEA-YLJYHZDGSA-N 0 0 344.430 3.940 50 30 EHEARN N#CCCN1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000040086141 526459779 /nfs/dbraw/zinc/45/97/79/526459779.db2.gz GEIMHBINPDZVOG-UHFFFAOYSA-N 0 0 329.444 3.585 50 30 EHEARN Cc1noc(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 ZINC000041534544 526483815 /nfs/dbraw/zinc/48/38/15/526483815.db2.gz BXUINZSBEJCGHV-OAHLLOKOSA-N 0 0 337.404 3.834 50 30 EHEARN N#C[C@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1Cl ZINC000005031677 526507786 /nfs/dbraw/zinc/50/77/86/526507786.db2.gz IHRAGUHMFUJAOS-ZDUSSCGKSA-N 0 0 337.766 3.634 50 30 EHEARN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc2ccsc21 ZINC000328587963 527586232 /nfs/dbraw/zinc/58/62/32/527586232.db2.gz LPAJTPPTXSLCCV-AWEZNQCLSA-N 0 0 338.436 3.665 50 30 EHEARN C#CCOc1ccccc1-c1c(-c2ccccc2)ncn1CCCO ZINC000065403674 538122554 /nfs/dbraw/zinc/12/25/54/538122554.db2.gz RGHKTWTXCKOPQH-UHFFFAOYSA-N 0 0 332.403 3.612 50 30 EHEARN O=C(O/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000000163030 563249217 /nfs/dbraw/zinc/24/92/17/563249217.db2.gz IMINUKHHFNUZEI-CNHKJKLMSA-N 0 0 338.146 3.913 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000000195067 563257696 /nfs/dbraw/zinc/25/76/96/563257696.db2.gz SHSSGEPOJXCVPN-SFHVURJKSA-N 0 0 339.435 3.772 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000000406039 563306557 /nfs/dbraw/zinc/30/65/57/563306557.db2.gz WQILEHOWELHMKE-KRWDZBQOSA-N 0 0 343.398 3.603 50 30 EHEARN COc1cc(Cl)c(/C=C2\N=C(SC)SC2=O)cc1OC ZINC000000458387 563325288 /nfs/dbraw/zinc/32/52/88/563325288.db2.gz RFPJOTDEAHKWGP-WTKPLQERSA-N 0 0 329.830 3.691 50 30 EHEARN N#CCOc1c(=O)c2ccccc2oc1-c1ccc(Br)o1 ZINC000001978578 563417610 /nfs/dbraw/zinc/41/76/10/563417610.db2.gz TWNYYOAQNLJWFR-UHFFFAOYSA-N 0 0 346.136 3.718 50 30 EHEARN COc1ccccc1N1CCN(/N=C\c2ccc(Cl)cc2)CC1 ZINC000004482742 563503438 /nfs/dbraw/zinc/50/34/38/563503438.db2.gz HZGONGRNPMDJKJ-ZHZULCJRSA-N 0 0 329.831 3.505 50 30 EHEARN COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000005376418 563530052 /nfs/dbraw/zinc/53/00/52/563530052.db2.gz AAWNMESGYVTYOA-GDNBJRDFSA-N 0 0 328.368 3.726 50 30 EHEARN Cc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccc(C)c(Cl)c3)S2)n1 ZINC000006054489 563558321 /nfs/dbraw/zinc/55/83/21/563558321.db2.gz KICJEZOKLMQJCF-CQSZACIVSA-N 0 0 345.855 3.814 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000006492912 563569973 /nfs/dbraw/zinc/56/99/73/563569973.db2.gz XATLQTOJJGYBLD-KRWDZBQOSA-N 0 0 337.350 3.590 50 30 EHEARN COc1ccccc1[C@@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000006995453 563593174 /nfs/dbraw/zinc/59/31/74/563593174.db2.gz KYFJPYWXCUCRPE-QGZVFWFLSA-N 0 0 337.423 3.927 50 30 EHEARN COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c(OC)c1 ZINC000002764401 563610767 /nfs/dbraw/zinc/61/07/67/563610767.db2.gz QDGSJTIKXOTKNH-UHFFFAOYSA-N 0 0 341.392 3.859 50 30 EHEARN COc1ccccc1N=CC(=CNc1ccccc1OC)[N+](=O)[O-] ZINC000013895781 563728731 /nfs/dbraw/zinc/72/87/31/563728731.db2.gz XWGBSDHUNXYYCY-SZFRVYISSA-N 0 0 327.340 3.636 50 30 EHEARN CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 ZINC000016741473 563822191 /nfs/dbraw/zinc/82/21/91/563822191.db2.gz UOAJUQBJEBXSGK-HNNXBMFYSA-N 0 0 327.405 3.736 50 30 EHEARN COC(=O)c1c(NC(=O)CC#N)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000017070494 563832770 /nfs/dbraw/zinc/83/27/70/563832770.db2.gz MIFBVPJYTRWOFS-SNVBAGLBSA-N 0 0 334.441 3.538 50 30 EHEARN N#C[C@@]1(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CCSC1 ZINC000071956994 563854845 /nfs/dbraw/zinc/85/48/45/563854845.db2.gz HBNXYSJTQBAWHO-SFHVURJKSA-N 0 0 340.473 3.643 50 30 EHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)cn1 ZINC000025749960 563887717 /nfs/dbraw/zinc/88/77/17/563887717.db2.gz COYLWDYQFIFPRD-IINYFYTJSA-N 0 0 345.390 3.635 50 30 EHEARN COc1ccc([C@H](NC(=O)CC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000119287751 563924661 /nfs/dbraw/zinc/92/46/61/563924661.db2.gz CZEIJXQCNAEQTE-QGZVFWFLSA-N 0 0 348.324 3.833 50 30 EHEARN CC(C)c1nc(OCC(=O)Nc2ccccc2)c(C#N)c2c1CCC2 ZINC000013735350 563932433 /nfs/dbraw/zinc/93/24/33/563932433.db2.gz SHGLGXJBUMEKGE-UHFFFAOYSA-N 0 0 335.407 3.583 50 30 EHEARN CC(C)(C#N)CCCNc1cccc(C(=O)N2CCSCC2)c1 ZINC000095417998 563932899 /nfs/dbraw/zinc/93/28/99/563932899.db2.gz SLOXOSDVQQBAGR-UHFFFAOYSA-N 0 0 331.485 3.617 50 30 EHEARN CCn1cc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)cn1 ZINC000058244070 563940576 /nfs/dbraw/zinc/94/05/76/563940576.db2.gz XYSYHVVLWWBKOF-VMPITWQZSA-N 0 0 333.391 3.773 50 30 EHEARN Cc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)n(CCC#N)n1 ZINC000058289385 563941815 /nfs/dbraw/zinc/94/18/15/563941815.db2.gz VXUHOWHMCMDSFX-UHFFFAOYSA-N 0 0 341.173 3.803 50 30 EHEARN N#Cc1cccnc1N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067803669 563962753 /nfs/dbraw/zinc/96/27/53/563962753.db2.gz JFCUJPSYTYHEOE-UHFFFAOYSA-N 0 0 343.434 3.651 50 30 EHEARN Cc1ccc(NC(=NS(C)(=O)=O)Nc2ccc(C)cc2C)c(C)c1 ZINC000033116449 563963568 /nfs/dbraw/zinc/96/35/68/563963568.db2.gz WKZSZQNUVLSTCA-UHFFFAOYSA-N 0 0 345.468 3.760 50 30 EHEARN C[C@@H]1CC(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 ZINC000097101958 563967704 /nfs/dbraw/zinc/96/77/04/563967704.db2.gz XXHGYJDPXOKMTM-MNFTWSISSA-N 0 0 344.499 3.901 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccs1 ZINC000128291472 563973801 /nfs/dbraw/zinc/97/38/01/563973801.db2.gz ZGXQGJXBVKZKNH-SNVBAGLBSA-N 0 0 348.811 3.680 50 30 EHEARN C[C@@H]1C(=O)N(Cc2ccc(C#N)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014095260 563983197 /nfs/dbraw/zinc/98/31/97/563983197.db2.gz VGNFPHJRCRUPFF-GFCCVEGCSA-N 0 0 339.782 3.569 50 30 EHEARN COc1ccccc1NC(=O)/C(=C/c1ccc(Cl)cc1)C(C)=O ZINC000072332399 563988702 /nfs/dbraw/zinc/98/87/02/563988702.db2.gz KPAZBSUWKRHMQX-RVDMUPIBSA-N 0 0 329.783 3.960 50 30 EHEARN Cc1cccc(-c2nc(C#N)c(NCc3cccc4c3OCO4)o2)c1 ZINC000033518495 563992408 /nfs/dbraw/zinc/99/24/08/563992408.db2.gz AVQXOTUGRRHHLY-UHFFFAOYSA-N 0 0 333.347 3.863 50 30 EHEARN Cc1cc(C#N)nc(N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000408523806 563993235 /nfs/dbraw/zinc/99/32/35/563993235.db2.gz NPSRBCBSCGIRJH-QMMMGPOBSA-N 0 0 341.724 3.897 50 30 EHEARN C[C@H](C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2)c1cccnc1 ZINC000133762443 563993962 /nfs/dbraw/zinc/99/39/62/563993962.db2.gz DPZLNFWLKWEJKX-SIHNGCNOSA-N 0 0 337.467 3.896 50 30 EHEARN Cc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1 ZINC000000422305 563998533 /nfs/dbraw/zinc/99/85/33/563998533.db2.gz GQQIIWSQBFNUIY-UHFFFAOYSA-N 0 0 339.464 3.766 50 30 EHEARN CN(C)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000175659 564003170 /nfs/dbraw/zinc/00/31/70/564003170.db2.gz IFCBGAQTKDYXAL-UHFFFAOYSA-N 0 0 326.783 3.694 50 30 EHEARN CCOc1ccc(NC=CC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000006089792 564006254 /nfs/dbraw/zinc/00/62/54/564006254.db2.gz SZUACYWAYINXHN-KTKRTIGZSA-N 0 0 330.315 3.941 50 30 EHEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000006338908 564006363 /nfs/dbraw/zinc/00/63/63/564006363.db2.gz WOXHSZQAIOMCES-RUDMXATFSA-N 0 0 345.738 3.931 50 30 EHEARN CCC(C)(C)C1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000016732999 564009920 /nfs/dbraw/zinc/00/99/20/564009920.db2.gz RUIYDLHEAHDZSF-UHFFFAOYSA-N 0 0 348.512 3.973 50 30 EHEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)C(C)C ZINC000100874345 564016999 /nfs/dbraw/zinc/01/69/99/564016999.db2.gz CYDYDABAPJNECA-PEZBUJJGSA-N 0 0 339.258 3.735 50 30 EHEARN Cc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000000509630 564019891 /nfs/dbraw/zinc/01/98/91/564019891.db2.gz ARSCENBGSRUMKQ-UHFFFAOYSA-N 0 0 333.347 3.863 50 30 EHEARN CC1(C)CC(=O)C(=CNc2ccccc2N2CCCCC2)C(=O)C1 ZINC000102223829 564019950 /nfs/dbraw/zinc/01/99/50/564019950.db2.gz ZTTZBEKOCHAIOU-UHFFFAOYSA-N 0 0 326.440 3.931 50 30 EHEARN COc1ccc(Cl)c(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000103001409 564021080 /nfs/dbraw/zinc/02/10/80/564021080.db2.gz CMDXXIWBDMIELR-UHFFFAOYSA-N 0 0 332.812 3.951 50 30 EHEARN C[C@@H]1CN(c2oc(-c3cccc4ccccc43)nc2C#N)C[C@@H](C)O1 ZINC000000539375 564022313 /nfs/dbraw/zinc/02/23/13/564022313.db2.gz OEVKTJCATGAADL-ZIAGYGMSSA-N 0 0 333.391 3.980 50 30 EHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1ccc(Cl)cc1 ZINC000103503830 564022535 /nfs/dbraw/zinc/02/25/35/564022535.db2.gz KVUHGRFMNZQQPJ-YCABEKBOSA-N 0 0 330.815 3.511 50 30 EHEARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)C1 ZINC000000552567 564023014 /nfs/dbraw/zinc/02/30/14/564023014.db2.gz YLDULFYBKSPFSD-RYUDHWBXSA-N 0 0 326.356 3.604 50 30 EHEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNCc1ccccc1 ZINC000104451207 564023919 /nfs/dbraw/zinc/02/39/19/564023919.db2.gz OPMUORUUXMGLMI-QRVIBDJDSA-N 0 0 340.386 3.992 50 30 EHEARN Cc1c2c(nc(SCc3cnn(-c4ccccc4)n3)c1C#N)CCC2 ZINC000046875979 564025433 /nfs/dbraw/zinc/02/54/33/564025433.db2.gz BULWBTKNOZECNQ-UHFFFAOYSA-N 0 0 347.447 3.623 50 30 EHEARN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@H](c2ccccc2)O1 ZINC000106755526 564026623 /nfs/dbraw/zinc/02/66/23/564026623.db2.gz BMDXASIDODXENP-KKSFZXQISA-N 0 0 331.419 3.773 50 30 EHEARN O=C(C=CNc1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000044842652 564027375 /nfs/dbraw/zinc/02/73/75/564027375.db2.gz LMUASRTZIVSSBX-VOTSOKGWSA-N 0 0 346.180 3.986 50 30 EHEARN C[C@@H](C#N)CN(C)C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000044971052 564027979 /nfs/dbraw/zinc/02/79/79/564027979.db2.gz AFIPQNNTRBDWHB-NSHDSACASA-N 0 0 348.859 3.765 50 30 EHEARN C[C@@H]1CC(C)(C)N(CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc21 ZINC000108172098 564028005 /nfs/dbraw/zinc/02/80/05/564028005.db2.gz FWZBOWRKSIILRH-JLTOFOAXSA-N 0 0 325.456 3.587 50 30 EHEARN Cc1nc(SCCn2c3ccccc3oc2=O)c(C#N)c(C)c1C ZINC000048289195 564030543 /nfs/dbraw/zinc/03/05/43/564030543.db2.gz KFXZOAFQEHUPMW-UHFFFAOYSA-N 0 0 339.420 3.579 50 30 EHEARN C=CC[C@]1(C#N)C(=S)NC(C)=C(C(=O)OCC)[C@H]1c1cccs1 ZINC000000614423 564032353 /nfs/dbraw/zinc/03/23/53/564032353.db2.gz OBNQAGAKVGGLCA-RHSMWYFYSA-N 0 0 346.477 3.685 50 30 EHEARN Cc1cc(=O)oc2cc(OCc3cn4ccccc4c3C#N)ccc12 ZINC000014902210 564032743 /nfs/dbraw/zinc/03/27/43/564032743.db2.gz ZQDDBDYEAVDMTJ-UHFFFAOYSA-N 0 0 330.343 3.805 50 30 EHEARN N#Cc1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 ZINC000049600875 564032807 /nfs/dbraw/zinc/03/28/07/564032807.db2.gz MLVUAPMFPIWPQL-UHFFFAOYSA-N 0 0 339.402 3.715 50 30 EHEARN C=CCc1cc(C)cc(C)c1OCCN1C(=O)c2ccccc2C1=O ZINC000002868309 564036272 /nfs/dbraw/zinc/03/62/72/564036272.db2.gz ARVPTLHOGQEWIH-UHFFFAOYSA-N 0 0 335.403 3.707 50 30 EHEARN CN(C)C(=O)c1ccc(Cl)c(NCCCC2(C#N)CCOCC2)c1 ZINC000241446935 564051997 /nfs/dbraw/zinc/05/19/97/564051997.db2.gz NPTNBHMTGXTGMP-UHFFFAOYSA-N 0 0 349.862 3.554 50 30 EHEARN N#CC(C#N)[C@H](CC(=O)c1ccc[nH]1)c1ccc(Br)cc1 ZINC000001028039 564054175 /nfs/dbraw/zinc/05/41/75/564054175.db2.gz VVHOWVRWGYSJIG-CQSZACIVSA-N 0 0 342.196 3.797 50 30 EHEARN CCOc1cc(C#N)c(NC(=O)Cc2cccs2)cc1OCC ZINC000001075561 564054288 /nfs/dbraw/zinc/05/42/88/564054288.db2.gz IDXOQRBHHIEXHX-UHFFFAOYSA-N 0 0 330.409 3.598 50 30 EHEARN C=CCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000001137711 564054505 /nfs/dbraw/zinc/05/45/05/564054505.db2.gz WZPMAFMIXAIRIG-HGLKBHAMSA-N 0 0 329.446 3.781 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C ZINC000257356039 564055911 /nfs/dbraw/zinc/05/59/11/564055911.db2.gz FJOFXGFQXDZWJF-GLXLYDRPSA-N 0 0 330.468 3.647 50 30 EHEARN N#Cc1ccsc1NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000031683374 564057945 /nfs/dbraw/zinc/05/79/45/564057945.db2.gz GFZCFLFCUAULAC-UHFFFAOYSA-N 0 0 344.421 3.693 50 30 EHEARN N#Cc1cccc(NCC(=O)Nc2ccccc2SC(F)F)c1 ZINC000015294540 564060509 /nfs/dbraw/zinc/06/05/09/564060509.db2.gz DFJGUWCSNQUYHS-UHFFFAOYSA-N 0 0 333.363 3.924 50 30 EHEARN C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)CSCC#N)C1 ZINC000185101301 564072754 /nfs/dbraw/zinc/07/27/54/564072754.db2.gz HVCQARNCJDJQDB-JTQLQIEISA-N 0 0 326.874 3.672 50 30 EHEARN CN(CCC#N)C(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000085565220 564073998 /nfs/dbraw/zinc/07/39/98/564073998.db2.gz YEIFQQGBYWATQG-UHFFFAOYSA-N 0 0 338.141 3.972 50 30 EHEARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C#N)cc3)c12 ZINC000012831783 564075218 /nfs/dbraw/zinc/07/52/18/564075218.db2.gz WFUQZSCXJVTYNZ-UHFFFAOYSA-N 0 0 344.330 3.915 50 30 EHEARN COc1ccc(O)c(-c2csc(N=NC(C)c3cccnc3)n2)c1 ZINC000043761411 564076217 /nfs/dbraw/zinc/07/62/17/564076217.db2.gz AVAGACBJDQASKR-RGVLZGJSSA-N 0 0 340.408 3.755 50 30 EHEARN Cc1nc(C)c(C#N)c(SCCCC(=O)c2ccc(F)cc2)n1 ZINC000012948556 564079829 /nfs/dbraw/zinc/07/98/29/564079829.db2.gz DGCAKSVPVBJKLH-UHFFFAOYSA-N 0 0 329.400 3.859 50 30 EHEARN CCC(C)(C)[C@H]1CCc2nc(SCC(=O)OC)c(C#N)cc2C1 ZINC000075261113 564081239 /nfs/dbraw/zinc/08/12/39/564081239.db2.gz MNTFLJGGCIPQRM-AWEZNQCLSA-N 0 0 332.469 3.759 50 30 EHEARN O=C(C1=C(O)C(=O)O[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006382892 564085412 /nfs/dbraw/zinc/08/54/12/564085412.db2.gz ZNYUEXBKRXNIMK-INIZCTEOSA-N 0 0 332.714 3.772 50 30 EHEARN CCc1sc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000006432618 564086739 /nfs/dbraw/zinc/08/67/39/564086739.db2.gz HBPGFSVHNWQAJG-LBPRGKRZSA-N 0 0 342.420 3.675 50 30 EHEARN CCOc1ccc2ncc(C#N)c(NCc3ccc4c(c3)OCO4)c2c1 ZINC000064438772 564091280 /nfs/dbraw/zinc/09/12/80/564091280.db2.gz SEXXLLILULWTLZ-UHFFFAOYSA-N 0 0 347.374 3.846 50 30 EHEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1 ZINC000005906386 564093320 /nfs/dbraw/zinc/09/33/20/564093320.db2.gz XDFSAHIGXBHHBX-YBFXNURJSA-N 0 0 342.399 3.654 50 30 EHEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cc1c(F)cccc1Cl ZINC000006651063 564095433 /nfs/dbraw/zinc/09/54/33/564095433.db2.gz GXMSSXCQQHSHBU-LBPRGKRZSA-N 0 0 341.773 3.785 50 30 EHEARN C=CCSc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1 ZINC000006790384 564097920 /nfs/dbraw/zinc/09/79/20/564097920.db2.gz IZYKRDBPEXXOEU-UHFFFAOYSA-N 0 0 344.465 3.869 50 30 EHEARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000006908920 564101160 /nfs/dbraw/zinc/10/11/60/564101160.db2.gz FKTFDWJGSHTEGE-LBPRGKRZSA-N 0 0 336.420 3.862 50 30 EHEARN C=CCn1c(C)cc(C(=O)Cn2c3ccccc3nc2[C@@H](C)O)c1C ZINC000006908720 564101172 /nfs/dbraw/zinc/10/11/72/564101172.db2.gz WYSMSDUKWLVLFR-OAHLLOKOSA-N 0 0 337.423 3.577 50 30 EHEARN COc1cc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc(OC)c1OC ZINC000007000005 564102711 /nfs/dbraw/zinc/10/27/11/564102711.db2.gz KDSUMWIZZYQJPE-VOTSOKGWSA-N 0 0 342.391 3.931 50 30 EHEARN N#Cc1ccccc1COC(=O)CCC(=O)c1ccc(Cl)s1 ZINC000007086349 564104624 /nfs/dbraw/zinc/10/46/24/564104624.db2.gz HFLAYLWSIGUSSV-UHFFFAOYSA-N 0 0 333.796 3.979 50 30 EHEARN CCCNC(=O)Nc1cccc(-c2noc(-c3ccc(C#N)cc3)n2)c1 ZINC000065330126 564105302 /nfs/dbraw/zinc/10/53/02/564105302.db2.gz ICZYJQVTGFLKBZ-UHFFFAOYSA-N 0 0 347.378 3.807 50 30 EHEARN Cc1nc(C#N)c(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)o1 ZINC000238899625 564105627 /nfs/dbraw/zinc/10/56/27/564105627.db2.gz GVWYFCIORRRCBO-CQSZACIVSA-N 0 0 338.333 3.588 50 30 EHEARN C=CCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000065512979 564106788 /nfs/dbraw/zinc/10/67/88/564106788.db2.gz AGWZJCUNHFEENO-UHFFFAOYSA-N 0 0 335.407 3.534 50 30 EHEARN N#Cc1cccc(COC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000089774449 564113637 /nfs/dbraw/zinc/11/36/37/564113637.db2.gz MMMNBFBNHWVNKP-UHFFFAOYSA-N 0 0 343.766 3.730 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cc(F)ccc2SCC(F)F)nc1 ZINC000076018402 564114484 /nfs/dbraw/zinc/11/44/84/564114484.db2.gz ASEYZKWAXUPTTA-UHFFFAOYSA-N 0 0 337.326 3.702 50 30 EHEARN C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)COc1ccc(CC#N)cc1 ZINC000076020827 564114595 /nfs/dbraw/zinc/11/45/95/564114595.db2.gz HNJMKERXZPJQJC-WMLDXEAASA-N 0 0 340.448 3.598 50 30 EHEARN CCO[C@H]1C[C@H](NC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC000076092016 564115664 /nfs/dbraw/zinc/11/56/64/564115664.db2.gz UDUUMWILNLLCOR-IRXDYDNUSA-N 0 0 327.428 3.808 50 30 EHEARN CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000252500444 564119812 /nfs/dbraw/zinc/11/98/12/564119812.db2.gz SVTPEIVJBQVRHJ-JTQLQIEISA-N 0 0 349.253 3.773 50 30 EHEARN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000252610061 564121464 /nfs/dbraw/zinc/12/14/64/564121464.db2.gz HYQWEUVCYSEZFA-UHFFFAOYSA-N 0 0 336.844 3.659 50 30 EHEARN CSc1nc(-c2cnccn2)nc(-c2ccccc2Cl)c1C#N ZINC000000149137 564132922 /nfs/dbraw/zinc/13/29/22/564132922.db2.gz ZXLOINIJWJSIAT-UHFFFAOYSA-N 0 0 339.811 3.848 50 30 EHEARN Cn1c2ccccc2n2c1c(C#N)c(-c1ccccc1)c(Cl)c2=O ZINC000000344087 564133097 /nfs/dbraw/zinc/13/30/97/564133097.db2.gz YMEAAIMKOVPHEM-UHFFFAOYSA-N 0 0 333.778 3.983 50 30 EHEARN Cc1ccc(OCc2nc(C#N)c(NCc3cccnc3)o2)c(C)c1 ZINC000027750193 564134387 /nfs/dbraw/zinc/13/43/87/564134387.db2.gz RCZMFGFTXJLSFC-UHFFFAOYSA-N 0 0 334.379 3.749 50 30 EHEARN N#Cc1ccccc1-c1ccc(CSc2nnnn2C2CC2)cc1 ZINC000012814983 564135644 /nfs/dbraw/zinc/13/56/44/564135644.db2.gz XMSQSKGNLVZRJA-UHFFFAOYSA-N 0 0 333.420 3.839 50 30 EHEARN C[C@H](Nc1ccccc1NC(=O)[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000328589851 564136644 /nfs/dbraw/zinc/13/66/44/564136644.db2.gz KKYZKRXOSJGTCV-KXBFYZLASA-N 0 0 339.439 3.778 50 30 EHEARN CC(=O)N1CC[C@H](CNC(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000328591740 564136742 /nfs/dbraw/zinc/13/67/42/564136742.db2.gz DDORUNVARWXXKL-OAHLLOKOSA-N 0 0 348.512 3.901 50 30 EHEARN N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124157838 564137434 /nfs/dbraw/zinc/13/74/34/564137434.db2.gz ZYNIWFSLIYSCSY-UHFFFAOYSA-N 0 0 335.241 3.738 50 30 EHEARN CCc1cc(C#N)c(NC(=O)c2coc(Br)c2)s1 ZINC000079263659 564138012 /nfs/dbraw/zinc/13/80/12/564138012.db2.gz QRECIEZSTWCOSY-UHFFFAOYSA-N 0 0 325.187 3.790 50 30 EHEARN COc1ccc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)o2)cc1OC ZINC000278669644 564138499 /nfs/dbraw/zinc/13/84/99/564138499.db2.gz XPYUWBSLJYJHBX-CMPLNLGQSA-N 0 0 331.397 3.538 50 30 EHEARN N#Cc1ccc(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c(F)c1 ZINC000390835646 564139039 /nfs/dbraw/zinc/13/90/39/564139039.db2.gz TZGOIPSGZZAZEP-UHFFFAOYSA-N 0 0 327.193 3.812 50 30 EHEARN C[C@H](C#N)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000095449061 564140599 /nfs/dbraw/zinc/14/05/99/564140599.db2.gz NGVHYKGGUIILIS-GFCCVEGCSA-N 0 0 347.440 3.861 50 30 EHEARN O=C(/C=C\c1cscn1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000096188042 564145913 /nfs/dbraw/zinc/14/59/13/564145913.db2.gz CSKBCMQXYNXHNH-KTKRTIGZSA-N 0 0 331.400 3.590 50 30 EHEARN C[C@]1(C(=O)Nc2cccc(C#N)c2)CC(c2ccccc2Cl)=NO1 ZINC000096192928 564145950 /nfs/dbraw/zinc/14/59/50/564145950.db2.gz GZHKWRVKCNHHDE-GOSISDBHSA-N 0 0 339.782 3.733 50 30 EHEARN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000096422131 564147969 /nfs/dbraw/zinc/14/79/69/564147969.db2.gz NMGAZUPBJDBNAD-RDBSUJKOSA-N 0 0 346.308 3.960 50 30 EHEARN N#Cc1ccc(-c2csc(NC(=O)c3cc(C4CC4)no3)n2)cc1 ZINC000225636484 564150103 /nfs/dbraw/zinc/15/01/03/564150103.db2.gz PCAMEQMTJQIVKD-UHFFFAOYSA-N 0 0 336.376 3.799 50 30 EHEARN COc1cc(/C=C2\Oc3c(ccc(O)c3C)C2=O)cc(Cl)c1O ZINC000299738360 564150507 /nfs/dbraw/zinc/15/05/07/564150507.db2.gz ZYYNHAABAWHTBC-AUWJEWJLSA-N 0 0 332.739 3.684 50 30 EHEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccco3)on1)CCC2 ZINC000002602350 564151115 /nfs/dbraw/zinc/15/11/15/564151115.db2.gz AKGAVXOGUJOGLH-UHFFFAOYSA-N 0 0 325.349 3.609 50 30 EHEARN Cc1cc(C#N)c(SCC(=O)Oc2ccc(F)cc2F)nc1C ZINC000215693333 564151460 /nfs/dbraw/zinc/15/14/60/564151460.db2.gz MSFVSQLOPIIBDH-UHFFFAOYSA-N 0 0 334.347 3.546 50 30 EHEARN CC(C)(C)[C@@]1(c2ccccc2)NC(=O)C2=C(CC(C)(C)CC2=O)O1 ZINC000003130111 564155342 /nfs/dbraw/zinc/15/53/42/564155342.db2.gz UEIYKBYQBDNRLI-FQEVSTJZSA-N 0 0 327.424 3.675 50 30 EHEARN COc1ccc(C(=O)C2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000030773297 564157699 /nfs/dbraw/zinc/15/76/99/564157699.db2.gz XAGAUAAWSUPWLN-UHFFFAOYSA-N 0 0 338.382 3.805 50 30 EHEARN COCCCn1c(S[C@H](C)C#N)nnc1-c1ccc(Cl)cc1 ZINC000003484639 564158404 /nfs/dbraw/zinc/15/84/04/564158404.db2.gz HAHXODDFEBFRNX-LLVKDONJSA-N 0 0 336.848 3.639 50 30 EHEARN Cn1ccnc1[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000058304968 564158517 /nfs/dbraw/zinc/15/85/17/564158517.db2.gz VIMIOEKTURKGLV-MRXNPFEDSA-N 0 0 342.324 3.911 50 30 EHEARN Cc1nccn1-c1ccc(CNc2snc(Cl)c2C#N)cc1F ZINC000058357451 564158835 /nfs/dbraw/zinc/15/88/35/564158835.db2.gz JDJGZJNIPBUJDB-UHFFFAOYSA-N 0 0 347.806 3.914 50 30 EHEARN Brc1ccc(CN=Nc2ncnc3ccccc32)cc1 ZINC000031823279 564160003 /nfs/dbraw/zinc/16/00/03/564160003.db2.gz RWQHDFJGYKJBEM-OCKHKDLRSA-N 0 0 327.185 3.838 50 30 EHEARN N#Cc1ccccc1CSCCNC(=O)Nc1ccccc1F ZINC000008727485 564167039 /nfs/dbraw/zinc/16/70/39/564167039.db2.gz JAHPBZCBBIKQNJ-UHFFFAOYSA-N 0 0 329.400 3.752 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)c1cc(-c2cccs2)on1 ZINC000069518888 564170107 /nfs/dbraw/zinc/17/01/07/564170107.db2.gz KCTZIUSZKBDEKH-UHFFFAOYSA-N 0 0 327.365 3.552 50 30 EHEARN N#Cc1ccnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000071765126 564175250 /nfs/dbraw/zinc/17/52/50/564175250.db2.gz XIEVBICUIXEIIH-HNNXBMFYSA-N 0 0 334.206 3.838 50 30 EHEARN CSc1ccc(C2(C=O)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000263622795 568419728 /nfs/dbraw/zinc/41/97/28/568419728.db2.gz AYDCAHAVJKHZGA-UHFFFAOYSA-N 0 0 335.469 3.876 50 30 EHEARN Cn1cc(-c2cccc(-c3ccn(Cc4ccccc4C#N)n3)c2)cn1 ZINC000023214956 1028926619 /nfs/dbraw/zinc/92/66/19/1028926619.db2.gz LUJMWEPTYUKHHR-UHFFFAOYSA-N 0 0 339.402 3.871 50 30 EHEARN CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 ZINC000014179296 1038601557 /nfs/dbraw/zinc/60/15/57/1038601557.db2.gz NJERZVAMDLCHOD-VQHVLOKHSA-N 0 0 349.839 3.765 50 30 EHEARN CC(=Nn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N(C)C ZINC000254429292 1039751991 /nfs/dbraw/zinc/75/19/91/1039751991.db2.gz DXFFUQJLJVKIOM-UHFFFAOYSA-N 0 0 346.843 3.522 50 30 EHEARN C[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)nc2)CCC1(F)F ZINC000329853489 1040765839 /nfs/dbraw/zinc/76/58/39/1040765839.db2.gz SCALGNCLZYBDPH-LBPRGKRZSA-N 0 0 339.386 3.926 50 30 EHEARN Cc1nnccc1NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000330150749 1040809882 /nfs/dbraw/zinc/80/98/82/1040809882.db2.gz KZHAOLDJQQBYHM-ZDUSSCGKSA-N 0 0 345.472 3.790 50 30 EHEARN CC(C)Oc1ccc(CNC(=O)N2CCCCO2)c(C(F)(F)F)c1 ZINC000330449667 1040843945 /nfs/dbraw/zinc/84/39/45/1040843945.db2.gz SWQIYVJMRWSHJA-UHFFFAOYSA-N 0 0 346.349 3.934 50 30 EHEARN Cc1ccsc1C=NN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000254769743 1041228792 /nfs/dbraw/zinc/22/87/92/1041228792.db2.gz BNHFDBNCDAQCFH-UHFFFAOYSA-N 0 0 333.888 3.862 50 30 EHEARN N#Cc1ccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000000407471 1128623030 /nfs/dbraw/zinc/62/30/30/1128623030.db2.gz KZBRTNKFRWHGDG-UHFFFAOYSA-N 0 0 330.174 3.623 50 30 EHEARN C=CCc1cccc(C=Nn2c(C)c3c(c2C)c(C)nnc3C)c1O ZINC000252636140 1124956309 /nfs/dbraw/zinc/95/63/09/1124956309.db2.gz XFAWEQLYWMNDTR-UHFFFAOYSA-N 0 0 334.423 3.981 50 30 EHEARN Cc1c(C[NH2+][C@H](c2nc3cc(C)ccc3[nH]2)C(C)C)cc(C#N)n1C ZINC000952973024 1137484314 /nfs/dbraw/zinc/48/43/14/1137484314.db2.gz XHJXVDZZEVXGBE-IBGZPJMESA-N 0 0 335.455 3.877 50 30 EHEARN Cc1nn(-c2ccccc2)c(C)c1/C=C1/Oc2cc(O)ccc2C1=O ZINC000102912131 1137825242 /nfs/dbraw/zinc/82/52/42/1137825242.db2.gz WBQCMMMBAVQGSJ-YBFXNURJSA-N 0 0 332.359 3.811 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(Cl)c2)SC1=S ZINC000222311646 1138254125 /nfs/dbraw/zinc/25/41/25/1138254125.db2.gz YHQLXVROHACKTM-XFFZJAGNSA-N 0 0 340.813 3.635 50 30 EHEARN N#CCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000004737749 210263529 /nfs/dbraw/zinc/26/35/29/210263529.db2.gz BVUQEOSOSVAAEA-WUKNDPDISA-N 0 0 326.272 3.532 50 30 EHEARN C/N=C1\S/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N1C ZINC000004704767 210255083 /nfs/dbraw/zinc/25/50/83/210255083.db2.gz ICNBFWCJIPQMLD-FEGCFHEDSA-N 0 0 331.828 3.663 50 30 EHEARN O=[N+]([O-])c1ccc(/C=N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004705061 210255053 /nfs/dbraw/zinc/25/50/53/210255053.db2.gz XTXIVZXVMNENQS-GONBZBRSSA-N 0 0 332.703 3.609 50 30 EHEARN CS/C(=N\C(=O)c1c(Cl)cccc1Cl)N1CCSCC1 ZINC000004693462 210249245 /nfs/dbraw/zinc/24/92/45/210249245.db2.gz FTLUABXQBAZOPE-SSZFMOIBSA-N 0 0 349.308 3.901 50 30 EHEARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 ZINC000004679944 210246346 /nfs/dbraw/zinc/24/63/46/210246346.db2.gz SCBFYXOPLLLNNK-GOSISDBHSA-N 0 0 336.391 3.596 50 30 EHEARN C=CCN(CC(F)(F)F)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000058292705 214534072 /nfs/dbraw/zinc/53/40/72/214534072.db2.gz YOKJNTQVYAHLPN-UHFFFAOYSA-N 0 0 338.329 3.851 50 30 EHEARN CC(C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004488891 210202174 /nfs/dbraw/zinc/20/21/74/210202174.db2.gz RILBIOCKNKZCKA-HNNXBMFYSA-N 0 0 327.424 3.721 50 30 EHEARN COC(=O)c1ccc(COc2ccc(/C=C/C(C)=N\O)cc2)cc1 ZINC000100700329 219104486 /nfs/dbraw/zinc/10/44/86/219104486.db2.gz VQCROBOGESLLFS-BZDSAVIRSA-N 0 0 325.364 3.916 50 30 EHEARN O=[N+]([O-])C1=CC=C2NC3(CCCCC3)N=C2C1=NC1CCCCC1 ZINC000100672996 219104525 /nfs/dbraw/zinc/10/45/25/219104525.db2.gz XCQHGEFXTGZKKA-ZPHPHTNESA-N 0 0 328.416 3.523 50 30 EHEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004386185 210185215 /nfs/dbraw/zinc/18/52/15/210185215.db2.gz DLPLRXOJSSSSIH-GOSISDBHSA-N 0 0 345.446 3.781 50 30 EHEARN FC(F)(F)c1ccc(CN=Nc2nccc(C(F)(F)F)n2)cc1 ZINC000004324201 210171678 /nfs/dbraw/zinc/17/16/78/210171678.db2.gz SXMUKNOHOPTPKG-QPSGOUHRSA-N 0 0 334.223 3.960 50 30 EHEARN COc1ccccc1OCc1nc(C#N)c(N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000004223244 210147513 /nfs/dbraw/zinc/14/75/13/210147513.db2.gz QPCSCAJEOYYXQH-KBPBESRZSA-N 0 0 341.411 3.616 50 30 EHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000004033249 210104616 /nfs/dbraw/zinc/10/46/16/210104616.db2.gz HFTQBKLOWVOGTH-QGZVFWFLSA-N 0 0 343.430 3.807 50 30 EHEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000003977945 210095882 /nfs/dbraw/zinc/09/58/82/210095882.db2.gz GZENKSODFLBBHQ-ILSZZQPISA-N 0 0 344.495 3.940 50 30 biogenic,world EHEARN Cc1ccc2sc(NC(=O)COc3ccc(C#N)cc3)nc2c1C ZINC000003355836 210016068 /nfs/dbraw/zinc/01/60/68/210016068.db2.gz FYETZKWZMHFDPG-UHFFFAOYSA-N 0 0 337.404 3.802 50 30 EHEARN CCCCCCCCc1nnc(NC(=O)c2cnc(C)cn2)s1 ZINC000102937433 219242652 /nfs/dbraw/zinc/24/26/52/219242652.db2.gz BKWGYOLWKVPNTM-UHFFFAOYSA-N 0 0 333.461 3.792 50 30 EHEARN Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)ccc1Br ZINC000003246998 209987822 /nfs/dbraw/zinc/98/78/22/209987822.db2.gz GXZHBIUCSYKOFB-UHFFFAOYSA-N 0 0 345.196 3.647 50 30 EHEARN Cc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cccc(O)c1 ZINC000067515419 215157144 /nfs/dbraw/zinc/15/71/44/215157144.db2.gz SIQMEWZIZAPALN-CQSZACIVSA-N 0 0 337.423 3.889 50 30 EHEARN N#Cc1ccnc(N2CCC(CO)(CCCc3ccccc3)CC2)c1 ZINC000067920074 215249454 /nfs/dbraw/zinc/24/94/54/215249454.db2.gz BDEAYFBBOZZQPI-UHFFFAOYSA-N 0 0 335.451 3.555 50 30 EHEARN C#CCOc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Cl ZINC000002815385 209921600 /nfs/dbraw/zinc/92/16/00/209921600.db2.gz NLFFABHZOITVRU-ZROIWOOFSA-N 0 0 335.812 3.797 50 30 EHEARN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103504179 219308334 /nfs/dbraw/zinc/30/83/34/219308334.db2.gz XPVVVMQHDXXHMX-AWEZNQCLSA-N 0 0 332.281 3.667 50 30 EHEARN N#Cc1cn(Cc2cc(F)cc3cccnc32)c2ccccc2c1=O ZINC000069533670 215465039 /nfs/dbraw/zinc/46/50/39/215465039.db2.gz PLHIKAFRQUJJLQ-UHFFFAOYSA-N 0 0 329.334 3.609 50 30 EHEARN COC(=O)c1ccccc1Sc1c(C#N)c(-c2ccccc2)nn1C ZINC000001401004 209740487 /nfs/dbraw/zinc/74/04/87/209740487.db2.gz RHDWBYRBEAOGPG-UHFFFAOYSA-N 0 0 349.415 3.897 50 30 EHEARN COc1cccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(C#N)cc2)c1 ZINC000036359472 213089547 /nfs/dbraw/zinc/08/95/47/213089547.db2.gz MRQJRNWHTWTXIB-QGZVFWFLSA-N 0 0 344.374 3.876 50 30 EHEARN N#Cc1ccccc1OC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000032869091 212859250 /nfs/dbraw/zinc/85/92/50/212859250.db2.gz JRLCUGZGJSUASK-UHFFFAOYSA-N 0 0 335.281 3.856 50 30 EHEARN Cc1ccc(-c2nc(CC(=O)Nc3sccc3C#N)cs2)o1 ZINC000031876658 212755670 /nfs/dbraw/zinc/75/56/70/212755670.db2.gz SJUDIDPCFNLBLY-UHFFFAOYSA-N 0 0 329.406 3.826 50 30 EHEARN O=C1C=C/C(=N\S(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000000321935 209535509 /nfs/dbraw/zinc/53/55/09/209535509.db2.gz XUZWYUWDXWVLHD-XUTLUUPISA-N 0 0 347.395 3.770 50 30 EHEARN N#CCc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 ZINC000000193102 209475514 /nfs/dbraw/zinc/47/55/14/209475514.db2.gz DMGCYWLEYMLIBH-UHFFFAOYSA-N 0 0 347.193 3.745 50 30 EHEARN C[C@@H](Sc1ncnc2ccsc21)C(=O)Nc1ccccc1C#N ZINC000026956754 212542804 /nfs/dbraw/zinc/54/28/04/212542804.db2.gz BDUGZFJESVQHCT-SNVBAGLBSA-N 0 0 340.433 3.682 50 30 EHEARN C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000022608035 212309919 /nfs/dbraw/zinc/30/99/19/212309919.db2.gz WIPWTIYHQPDTJC-ANRSDYALSA-N 0 0 349.221 3.853 50 30 EHEARN C=CC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccncc1 ZINC000075141126 216578197 /nfs/dbraw/zinc/57/81/97/216578197.db2.gz PQDSGBGRTZBCQC-OAHLLOKOSA-N 0 0 343.408 3.759 50 30 EHEARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1)NO ZINC000226290728 242094464 /nfs/dbraw/zinc/09/44/64/242094464.db2.gz TZBNBQCIMPBKHA-ZZXKWVIFSA-N 0 0 342.576 3.881 50 30 EHEARN N#CCc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)cc1 ZINC000021104913 212207865 /nfs/dbraw/zinc/20/78/65/212207865.db2.gz HRIQJISCEOYOTR-IBGZPJMESA-N 0 0 344.374 3.507 50 30 EHEARN Cc1c(C#N)cccc1NC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000242273492 243015865 /nfs/dbraw/zinc/01/58/65/243015865.db2.gz YDCBDWBMWAVKFV-UHFFFAOYSA-N 0 0 334.423 3.748 50 30 EHEARN CC(C)c1nc(NC[C@H]2CCCO2)c(C#N)c2c1COC(C)(C)C2 ZINC000020828845 212175629 /nfs/dbraw/zinc/17/56/29/212175629.db2.gz FNICAFNVQCPFDE-CYBMUJFWSA-N 0 0 329.444 3.519 50 30 EHEARN C=CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000019973821 212092739 /nfs/dbraw/zinc/09/27/39/212092739.db2.gz SNPFHKVLMSGVCN-UHFFFAOYSA-N 0 0 349.430 3.952 50 30 EHEARN Cc1ccoc1C(=O)NC1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000078879407 217137582 /nfs/dbraw/zinc/13/75/82/217137582.db2.gz RVHLBVDUCJNGRO-UHFFFAOYSA-N 0 0 343.814 3.512 50 30 EHEARN Cc1oc(-c2ccco2)nc1CC(=O)N(CCC#N)c1ccccc1 ZINC000078999910 217170803 /nfs/dbraw/zinc/17/08/03/217170803.db2.gz RSEYVIKZINIASZ-UHFFFAOYSA-N 0 0 335.363 3.732 50 30 EHEARN N#CCSc1cccc(C(=O)N2CCOc3ccc(Cl)cc32)c1 ZINC000079532059 217238663 /nfs/dbraw/zinc/23/86/63/217238663.db2.gz ZKCHGOCUOVKGPG-UHFFFAOYSA-N 0 0 344.823 3.995 50 30 EHEARN C[C@@H](Sc1nncs1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000012642255 211427830 /nfs/dbraw/zinc/42/78/30/211427830.db2.gz PPCUWKWMKGDGEQ-BTAWCLGRSA-N 0 0 345.493 3.899 50 30 EHEARN C=C(Br)Cn1c2ccccc2nc1[C@H]1CCCN1C(C)=O ZINC000012323884 211348044 /nfs/dbraw/zinc/34/80/44/211348044.db2.gz XQMXHAQHKNOUCG-OAHLLOKOSA-N 0 0 348.244 3.628 50 30 EHEARN C=CCC(=O)N1CCC2(C[C@@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000012217190 211322515 /nfs/dbraw/zinc/32/25/15/211322515.db2.gz FZKMNNLGUOSAJE-MRXNPFEDSA-N 0 0 344.480 3.552 50 30 EHEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(O)c1 ZINC000012111596 211291588 /nfs/dbraw/zinc/29/15/88/211291588.db2.gz WFKAPJAEIIERSD-GOSISDBHSA-N 0 0 347.370 3.538 50 30 EHEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000012111614 211290702 /nfs/dbraw/zinc/29/07/02/211290702.db2.gz DINNSQOSCSQSQR-GOSISDBHSA-N 0 0 349.361 3.972 50 30 EHEARN C[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)C1 ZINC000009014805 211031801 /nfs/dbraw/zinc/03/18/01/211031801.db2.gz KMBGWGWUZNJAPT-CWTRNNRKSA-N 0 0 330.391 3.699 50 30 EHEARN Cc1noc(C)c1[C@H](C)CC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000095435995 218378773 /nfs/dbraw/zinc/37/87/73/218378773.db2.gz NRQSOJKURKVILZ-MEBBXXQBSA-N 0 0 331.803 3.820 50 30 EHEARN CC[C@H](C)Nc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N ZINC000008326810 210936321 /nfs/dbraw/zinc/93/63/21/210936321.db2.gz ZCJPPLZYBORCIL-CRALRDPISA-N 0 0 327.384 3.944 50 30 EHEARN COCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC ZINC000007529137 210811409 /nfs/dbraw/zinc/81/14/09/210811409.db2.gz SMJDNOPOCBRZRH-UHFFFAOYSA-N 0 0 330.409 3.939 50 30 EHEARN COc1ccc(Br)cc1/C=C/C(=O)c1c(C)nn(C)c1C ZINC000006920993 210744804 /nfs/dbraw/zinc/74/48/04/210744804.db2.gz VWUFGXYGHGOLFC-FNORWQNLSA-N 0 0 349.228 3.704 50 30 EHEARN Cc1ccc2c(COC(=O)c3ccc(C#N)cc3)cc(=O)oc2c1C ZINC000006206887 210601042 /nfs/dbraw/zinc/60/10/42/210601042.db2.gz CYWSAXIQZXNCKG-UHFFFAOYSA-N 0 0 333.343 3.639 50 30 EHEARN C#CCOc1ccc(/C=C2/COc3ccccc3C2=O)cc1OCC ZINC000096401290 218749061 /nfs/dbraw/zinc/74/90/61/218749061.db2.gz UAFHHDJTNUMJOY-VBKFSLOCSA-N 0 0 334.371 3.756 50 30 EHEARN COc1cc2c(cc1OC)C(=CC(=O)c1cccc(Cl)c1)NCC2 ZINC000005323726 210439196 /nfs/dbraw/zinc/43/91/96/210439196.db2.gz TVLPGFPLHXWELW-WJDWOHSUSA-N 0 0 343.810 3.727 50 30 EHEARN CC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004937084 210329362 /nfs/dbraw/zinc/32/93/62/210329362.db2.gz LGERHHYECJMWLG-OEEIJACASA-N 0 0 343.477 3.992 50 30 EHEARN N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 ZINC000000036204 208553834 /nfs/dbraw/zinc/55/38/34/208553834.db2.gz LOYBIKSBGKFBKG-UHFFFAOYSA-N 0 0 347.783 3.922 50 30 EHEARN Cc1ccc(C(C)C)c(OCC#CCCOn2nnc3ccccc32)c1 ZINC000002862893 258046995 /nfs/dbraw/zinc/04/69/95/258046995.db2.gz GZISNWRHHAIELF-UHFFFAOYSA-N 0 0 349.434 3.764 50 30 EHEARN C=CCOc1ccccc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000012374299 258017267 /nfs/dbraw/zinc/01/72/67/258017267.db2.gz WWWSFWKOCQORLS-SSZFMOIBSA-N 0 0 328.437 3.708 50 30 EHEARN C=C(C)CN1c2ccccc2[C@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000001320641 258017291 /nfs/dbraw/zinc/01/72/91/258017291.db2.gz AGOPMTDEXLWBMH-JOCHJYFZSA-N 0 0 349.430 3.687 50 30 EHEARN N#CC1(NC(=O)COc2ccc(Cl)c3ccccc23)CCCC1 ZINC000007132630 258052679 /nfs/dbraw/zinc/05/26/79/258052679.db2.gz LVAHPDRGEDOYFC-UHFFFAOYSA-N 0 0 328.799 3.825 50 30 EHEARN Clc1ccccc1CN1CCN(/N=C/C=C/c2ccco2)CC1 ZINC000020082433 258057098 /nfs/dbraw/zinc/05/70/98/258057098.db2.gz KVKNNWCEKLSEQH-KOWPSSNVSA-N 0 0 329.831 3.750 50 30 EHEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(O)c1 ZINC000019923565 258057204 /nfs/dbraw/zinc/05/72/04/258057204.db2.gz FSQCSTGUATZLGJ-RDTXWAMCSA-N 0 0 345.439 3.893 50 30 EHEARN C[C@H]1Cc2nnc(-c3ccc(Br)cc3)cc2C(=NO)C1 ZINC000245240506 258073044 /nfs/dbraw/zinc/07/30/44/258073044.db2.gz XTVNPIPUPOMIEI-VIFPVBQESA-N 0 0 332.201 3.667 50 30 EHEARN C=C(C)Cn1c(C(=O)NCCc2ccccn2)cc2sccc21 ZINC000037526621 518639075 /nfs/dbraw/zinc/63/90/75/518639075.db2.gz HILSTRHIHXNCIG-UHFFFAOYSA-N 0 0 325.437 3.646 50 30 EHEARN C=CCN(C[C@@H]1CC(c2ccc(C)cc2)=NO1)C(=O)C1CCCC1 ZINC000006871016 518774416 /nfs/dbraw/zinc/77/44/16/518774416.db2.gz SWVCDOIPWWNOSL-SFHVURJKSA-N 0 0 326.440 3.693 50 30 EHEARN C=CCN(Cc1ccccc1Cl)C(=O)c1ccc2nccn2c1 ZINC000055386091 518785998 /nfs/dbraw/zinc/78/59/98/518785998.db2.gz NQIHDNSZUOORBO-UHFFFAOYSA-N 0 0 325.799 3.816 50 30 EHEARN C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccccc21 ZINC000005007352 518898544 /nfs/dbraw/zinc/89/85/44/518898544.db2.gz YBFRFKIWFFDLFW-UHFFFAOYSA-N 0 0 335.432 3.691 50 30 EHEARN C=CCOc1ccccc1CN(CC)C(=O)C1CCC(OC)CC1 ZINC000055226490 519067685 /nfs/dbraw/zinc/06/76/85/519067685.db2.gz FDBSPMNFBLQLEU-UHFFFAOYSA-N 0 0 331.456 3.805 50 30 EHEARN C=CCSc1nnc(CNC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000004854820 519086040 /nfs/dbraw/zinc/08/60/40/519086040.db2.gz BVCCYYKKCMSRQU-UHFFFAOYSA-N 0 0 346.456 3.570 50 30 EHEARN C=CC[C@@H]1CC=C[C@@H](C)N1Cc1nc(Cc2cccc(F)c2)no1 ZINC000012439055 519107411 /nfs/dbraw/zinc/10/74/11/519107411.db2.gz IKSXIMQXZWKZKN-RHSMWYFYSA-N 0 0 327.403 3.895 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004386186 519269527 /nfs/dbraw/zinc/26/95/27/519269527.db2.gz DLPLRXOJSSSSIH-SFHVURJKSA-N 0 0 345.446 3.781 50 30 EHEARN CCCCCCCC(=O)N1CCC[C@@H](C2N=NC(=S)N2CC)C1 ZINC000100992382 519961087 /nfs/dbraw/zinc/96/10/87/519961087.db2.gz QVWSSRJGGRMYRL-CQSZACIVSA-N 0 0 338.521 3.653 50 30 EHEARN CCO[C@H]1C[C@H](N(C)C(=O)Nc2nc(C)c(C)o2)C12CCCCC2 ZINC000328593150 520565833 /nfs/dbraw/zinc/56/58/33/520565833.db2.gz JSKDCSKBEJPSJQ-GJZGRUSLSA-N 0 0 335.448 3.897 50 30 EHEARN CCCC[C@@H]1SC(NN=Cc2c(O)ccc3ccccc32)=NC1=O ZINC000005713542 521120768 /nfs/dbraw/zinc/12/07/68/521120768.db2.gz BPXSRJSNTJBENH-ZVCOJXFSSA-N 0 0 341.436 3.657 50 30 EHEARN COc1cc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)ccc1O ZINC000008322779 522049058 /nfs/dbraw/zinc/04/90/58/522049058.db2.gz IZLVCIBJDBKYDI-HWKANZROSA-N 0 0 334.755 3.665 50 30 EHEARN COc1ccc(-c2cnnc(N=NCc3cc(C)ccc3C)n2)cc1 ZINC000004660076 523156809 /nfs/dbraw/zinc/15/68/09/523156809.db2.gz BAKALVSYFNZTMA-RGVLZGJSSA-N 0 0 333.395 3.610 50 30 EHEARN CCc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)cc2OC)cc1 ZINC000057524947 523987566 /nfs/dbraw/zinc/98/75/66/523987566.db2.gz WWTPYSTVRMFDKD-MRXNPFEDSA-N 0 0 338.407 3.587 50 30 EHEARN COc1ccc(OC)c(/C=C/C(=O)c2cc(OC)c(C)cc2OC)c1 ZINC000004473241 524800683 /nfs/dbraw/zinc/80/06/83/524800683.db2.gz GCZHOCNMJNGOAL-SOFGYWHQSA-N 0 0 342.391 3.926 50 30 EHEARN C[C@](C#N)(NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000021698609 525135831 /nfs/dbraw/zinc/13/58/31/525135831.db2.gz GFADGUUASOWHQT-CQSZACIVSA-N 0 0 345.752 3.579 50 30 EHEARN N#CCCCSc1nnc(N2CCCC2)n1-c1ccccc1Cl ZINC000006994358 526447369 /nfs/dbraw/zinc/44/73/69/526447369.db2.gz PAAPXQHHHQAAIA-UHFFFAOYSA-N 0 0 347.875 3.917 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)Cc1ccc2ccccc2c1 ZINC000060783826 526458405 /nfs/dbraw/zinc/45/84/05/526458405.db2.gz XGLOLCWMJHJSSC-UHFFFAOYSA-N 0 0 329.403 3.720 50 30 EHEARN N#CCCn1cc(C(=O)COc2ccccc2C#N)c2ccccc21 ZINC000006822311 526466680 /nfs/dbraw/zinc/46/66/80/526466680.db2.gz BHSMCLHMLKAVMG-UHFFFAOYSA-N 0 0 329.359 3.688 50 30 EHEARN N#CCSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000002623969 526480340 /nfs/dbraw/zinc/48/03/40/526480340.db2.gz IAJIWCNJRGSQCB-UHFFFAOYSA-N 0 0 340.383 3.601 50 30 EHEARN Cc1nc(COc2ccc(/C=C/C(=O)c3ccsc3)cc2)no1 ZINC000065608204 526906033 /nfs/dbraw/zinc/90/60/33/526906033.db2.gz VCSQRPHFAZMOMC-QPJJXVBHSA-N 0 0 326.377 3.915 50 30 EHEARN C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2)no1 ZINC000155166781 527091524 /nfs/dbraw/zinc/09/15/24/527091524.db2.gz GYQZYRVCORTSEK-UHFFFAOYSA-N 0 0 336.322 3.745 50 30 EHEARN Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3F)o2)cn1 ZINC000006925523 527150321 /nfs/dbraw/zinc/15/03/21/527150321.db2.gz UUDBNSGIIFUHQB-AATRIKPKSA-N 0 0 344.317 3.766 50 30 EHEARN O=S(=O)(N/N=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000000248149 527203654 /nfs/dbraw/zinc/20/36/54/527203654.db2.gz ARQLQFRBDLZISB-XDHOZWIPSA-N 0 0 344.823 3.806 50 30 EHEARN CC(=O)C1=C(NC(=O)c2ccc(Cl)nc2Cl)C[C@@H]2[C@H]1C2(C)C ZINC000000535210 564022089 /nfs/dbraw/zinc/02/20/89/564022089.db2.gz DDFKLGZIFALBMA-NOZJJQNGSA-N 0 0 339.222 3.637 50 30 EHEARN CC(=O)C(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)=O ZINC000000137903 563241158 /nfs/dbraw/zinc/24/11/58/563241158.db2.gz GDDLQCRNQCECSP-UHFFFAOYSA-N 0 0 340.223 3.670 50 30 EHEARN Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000194988 563257707 /nfs/dbraw/zinc/25/77/07/563257707.db2.gz FEMGAKXZWZBZFJ-LJQANCHMSA-N 0 0 339.435 3.915 50 30 EHEARN Fc1ccc(COc2ccc(Cl)cc2/C=N/n2cnnc2)cc1 ZINC000000459794 563325946 /nfs/dbraw/zinc/32/59/46/563325946.db2.gz QESDZVYDANAWAD-ODCIPOBUSA-N 0 0 330.750 3.532 50 30 EHEARN CSC(=NS(=O)(=O)c1cc(Cl)sc1Cl)SC ZINC000001049016 563370174 /nfs/dbraw/zinc/37/01/74/563370174.db2.gz LCPRYSHFXWTPQY-UHFFFAOYSA-N 0 0 336.312 3.826 50 30 EHEARN N#CCSc1nc2sc3c(c2c(SCC#N)n1)CCCC3 ZINC000002180857 563425503 /nfs/dbraw/zinc/42/55/03/563425503.db2.gz NFTFIGKFEAMNEO-UHFFFAOYSA-N 0 0 332.479 3.801 50 30 EHEARN CN1C(=O)N[C@H](c2cccc(Cl)c2Cl)C2=C1CCCC2=O ZINC000002701528 563446312 /nfs/dbraw/zinc/44/63/12/563446312.db2.gz DBMQOXLMFWFGLX-CQSZACIVSA-N 0 0 325.195 3.697 50 30 EHEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000004025698 563492616 /nfs/dbraw/zinc/49/26/16/563492616.db2.gz RUQCGCWODJEVJZ-AAEPMHHLSA-N 0 0 346.467 3.661 50 30 biogenic EHEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccccc1 ZINC000005872475 563552841 /nfs/dbraw/zinc/55/28/41/563552841.db2.gz BEQRIQRYWCTTML-UHFFFAOYSA-N 0 0 347.443 3.522 50 30 EHEARN CCCCCCCCn1c2ccccc2c(N)c(C(=O)OC)c1=O ZINC000002339139 563561733 /nfs/dbraw/zinc/56/17/33/563561733.db2.gz URSILZJIVKMCME-UHFFFAOYSA-N 0 0 330.428 3.731 50 30 EHEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000006827679 563588266 /nfs/dbraw/zinc/58/82/66/563588266.db2.gz PGRFXXCKHGIFSV-UHFFFAOYSA-N 0 0 345.930 3.847 50 30 EHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccs1 ZINC000002715259 563606807 /nfs/dbraw/zinc/60/68/07/563606807.db2.gz SJZZXVMOUMQYAY-MSUUIHNZSA-N 0 0 330.434 3.700 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(CC#N)cc1 ZINC000012798339 563673076 /nfs/dbraw/zinc/67/30/76/563673076.db2.gz SHHNBCJHHPJCPI-UHFFFAOYSA-N 0 0 330.347 3.569 50 30 EHEARN COc1ccc(C(=O)/C=C2\C(=O)Nc3ccc(Cl)cc32)c(F)c1 ZINC000032646591 563675224 /nfs/dbraw/zinc/67/52/24/563675224.db2.gz CKPUEDAULGJEDZ-JYRVWZFOSA-N 0 0 331.730 3.706 50 30 EHEARN S=C1N=NC(c2ccncc2)N1N=CC(Cl)=Cc1ccccc1 ZINC000013110573 563688157 /nfs/dbraw/zinc/68/81/57/563688157.db2.gz QDXDXUOBWLLQTF-KMKPNOTNSA-N 0 0 341.827 3.743 50 30 EHEARN C/N=C1/S/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C(=O)N1C ZINC000013881627 563728310 /nfs/dbraw/zinc/72/83/10/563728310.db2.gz BMBIDNUPHAMPSL-RDNNIZOPSA-N 0 0 345.855 3.971 50 30 EHEARN Oc1ccc(Br)cc1C=NNc1cccc(Cl)n1 ZINC000013895892 563728842 /nfs/dbraw/zinc/72/88/42/563728842.db2.gz LVUVJYVUTXXUGU-VIZOYTHASA-N 0 0 326.581 3.649 50 30 EHEARN CC[C@H]1S/C(=N/N=C/c2ccco2)N(c2ccc(F)cc2)C1=O ZINC000015856920 563796254 /nfs/dbraw/zinc/79/62/54/563796254.db2.gz XCNZYAJNAYUKSU-ZBSIEQTHSA-N 0 0 331.372 3.667 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 ZINC000016741397 563822230 /nfs/dbraw/zinc/82/22/30/563822230.db2.gz ZONIADOSIBHDHW-HNNXBMFYSA-N 0 0 325.389 3.512 50 30 EHEARN COc1ccc(CN=Nc2nnc(Cl)c3ccccc32)cc1OC ZINC000017138893 563838083 /nfs/dbraw/zinc/83/80/83/563838083.db2.gz VPJMVOKUVRFAPY-VXLYETTFSA-N 0 0 342.786 3.746 50 30 EHEARN O=S(=O)(N=C(NC1CCCCC1)c1ccccc1)c1ccccc1 ZINC000018068514 563847913 /nfs/dbraw/zinc/84/79/13/563847913.db2.gz FAPBTLZAVJJCBX-UHFFFAOYSA-N 0 0 342.464 3.744 50 30 EHEARN C[C@@H](C#N)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000072277555 563903933 /nfs/dbraw/zinc/90/39/33/563903933.db2.gz AHUGUSXQKWHAKP-ZDUSSCGKSA-N 0 0 328.799 3.662 50 30 EHEARN COc1cc(NC(=O)c2ccccc2SCC#N)cc(OC)c1 ZINC000029490351 563906809 /nfs/dbraw/zinc/90/68/09/563906809.db2.gz HJFCMEYAMDBQOU-UHFFFAOYSA-N 0 0 328.393 3.572 50 30 EHEARN N#C[C@H](NC(=O)[C@H]1CSCCS1)c1cccc(Cl)c1Cl ZINC000177275090 563915446 /nfs/dbraw/zinc/91/54/46/563915446.db2.gz WISCNJUDBZRSEI-WDEREUQCSA-N 0 0 347.292 3.523 50 30 EHEARN CCN(CC)CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000020136406 563918201 /nfs/dbraw/zinc/91/82/01/563918201.db2.gz VFKFRLKKDAZCDI-UHFFFAOYSA-N 0 0 348.516 3.936 50 30 EHEARN N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1 ZINC000097938589 563923036 /nfs/dbraw/zinc/92/30/36/563923036.db2.gz LHIMNNALUHPRPU-UHFFFAOYSA-N 0 0 334.766 3.921 50 30 EHEARN COc1cc(-c2cc(-c3ccc(C)s3)nc(N)c2C#N)ccc1O ZINC000071419122 563934867 /nfs/dbraw/zinc/93/48/67/563934867.db2.gz ZXGKZPQMUWPQBP-UHFFFAOYSA-N 0 0 337.404 3.954 50 30 EHEARN CCN(C(C)=O)c1nc(/C=C2\Cc3c(cccc3Cl)C2=O)cs1 ZINC000096313715 563934997 /nfs/dbraw/zinc/93/49/97/563934997.db2.gz ARCUWAJYDZXFAF-YRNVUSSQSA-N 0 0 346.839 3.992 50 30 EHEARN COc1ccc(-c2n[nH]cc2-c2cc(C3CCC3)nc(N)c2C#N)cc1 ZINC000071479712 563935223 /nfs/dbraw/zinc/93/52/23/563935223.db2.gz CIGHOIGXYCNOKU-UHFFFAOYSA-N 0 0 345.406 3.869 50 30 EHEARN CCn1cc(-c2cc(-c3nc[nH]c3C)c(C#N)c(N)n2)c2ccccc21 ZINC000071498744 563935433 /nfs/dbraw/zinc/93/54/33/563935433.db2.gz QRXVOYKFINHFBB-UHFFFAOYSA-N 0 0 342.406 3.876 50 30 EHEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000057525020 563935724 /nfs/dbraw/zinc/93/57/24/563935724.db2.gz FZBVGLIVYNGUDP-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN N#CCSCC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000058249417 563940823 /nfs/dbraw/zinc/94/08/23/563940823.db2.gz IYKHHKWZCSKVQQ-KRWDZBQOSA-N 0 0 346.402 3.622 50 30 EHEARN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000058364051 563943810 /nfs/dbraw/zinc/94/38/10/563943810.db2.gz DZHCCCQMZFIDBJ-LLVKDONJSA-N 0 0 325.334 3.712 50 30 EHEARN CC(C)(C#N)c1ccc(NC(=O)N[C@@H](CCO)c2cccs2)cc1 ZINC000096420108 563951443 /nfs/dbraw/zinc/95/14/43/563951443.db2.gz LYRUJFUEEYIMTM-HNNXBMFYSA-N 0 0 343.452 3.794 50 30 EHEARN CSc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 ZINC000096420355 563951567 /nfs/dbraw/zinc/95/15/67/563951567.db2.gz DSBFUYAEFFPESR-SMDDNHRTSA-N 0 0 332.450 3.817 50 30 EHEARN C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000096462442 563954182 /nfs/dbraw/zinc/95/41/82/563954182.db2.gz IAYFWABJCRDJBL-LBPRGKRZSA-N 0 0 338.342 3.771 50 30 EHEARN COc1ccc(Cl)cc1C(=O)N=C(N)NC1CCCCCCC1 ZINC000071775213 563965684 /nfs/dbraw/zinc/96/56/84/563965684.db2.gz FSLLQNVNLVXFJW-UHFFFAOYSA-N 0 0 337.851 3.506 50 30 EHEARN Cc1csc([C@@H](C#N)C(=O)c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000097079905 563967201 /nfs/dbraw/zinc/96/72/01/563967201.db2.gz VHIALYSEGDCVNB-HNNXBMFYSA-N 0 0 340.452 3.573 50 30 EHEARN N#Cc1cc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000097085635 563967357 /nfs/dbraw/zinc/96/73/57/563967357.db2.gz OAGOSYARWCUAEJ-LBPRGKRZSA-N 0 0 333.313 3.535 50 30 EHEARN Cc1c(-c2ccccn2)nc(N)c(C#N)c1-c1ccc(O)cc1Cl ZINC000071748747 563982979 /nfs/dbraw/zinc/98/29/79/563982979.db2.gz OXONKSVDTLTJBB-UHFFFAOYSA-N 0 0 336.782 3.932 50 30 EHEARN N#C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(Br)o1 ZINC000000286002 563990245 /nfs/dbraw/zinc/99/02/45/563990245.db2.gz KVGVFRSNTWZISP-INIZCTEOSA-N 0 0 345.196 3.697 50 30 EHEARN Cc1nn(Cc2ccccc2)c(C)c1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000005462151 564004382 /nfs/dbraw/zinc/00/43/82/564004382.db2.gz YIOJCGDJGCOADV-CIAFOILYSA-N 0 0 344.422 3.871 50 30 EHEARN CCCCCc1nc2sc3c(c2c(=O)n1/N=C/OCC)CCCC3 ZINC000003139891 564012929 /nfs/dbraw/zinc/01/29/29/564012929.db2.gz JAELPTMHIAGLMZ-XDHOZWIPSA-N 0 0 347.484 3.897 50 30 EHEARN N#CCSCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000120305866 564013113 /nfs/dbraw/zinc/01/31/13/564013113.db2.gz RKCUBOIIKWHXRO-OCCSQVGLSA-N 0 0 342.386 3.714 50 30 EHEARN COC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CCCC2 ZINC000000495308 564017939 /nfs/dbraw/zinc/01/79/39/564017939.db2.gz PYBPVUPDFQAZEM-VXLYETTFSA-N 0 0 345.420 3.878 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014790045 564023862 /nfs/dbraw/zinc/02/38/62/564023862.db2.gz TVEQMPBTXBEXKH-GFCCVEGCSA-N 0 0 348.324 3.661 50 30 EHEARN CCCCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000002795855 564026024 /nfs/dbraw/zinc/02/60/24/564026024.db2.gz NQMOSGJYMUFNHV-UHFFFAOYSA-N 0 0 334.279 3.698 50 30 EHEARN C[C@H]1CCc2sc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2C1 ZINC000047343223 564026147 /nfs/dbraw/zinc/02/61/47/564026147.db2.gz XPVUEHTYJXHWIG-JTQLQIEISA-N 0 0 339.424 3.689 50 30 EHEARN COc1cc(C#N)ccc1OCc1nc2ccccc2n1C(F)F ZINC000014901810 564032802 /nfs/dbraw/zinc/03/28/02/564032802.db2.gz ISNBHXXNMCXMTH-UHFFFAOYSA-N 0 0 329.306 3.891 50 30 EHEARN Cc1nn(Cc2sc3ccccc3c2Cl)c(=O)c(C#N)c1C ZINC000025053100 564052600 /nfs/dbraw/zinc/05/26/00/564052600.db2.gz BKXIMPQXORXYQN-UHFFFAOYSA-N 0 0 329.812 3.648 50 30 EHEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005830281 564056577 /nfs/dbraw/zinc/05/65/77/564056577.db2.gz GFWMIRUVCMPQIT-NSHDSACASA-N 0 0 334.297 3.983 50 30 EHEARN CCc1cc(NC(=O)c2ccccc2F)nn1-c1ccc(C#N)cc1 ZINC000034907293 564057244 /nfs/dbraw/zinc/05/72/44/564057244.db2.gz CBDZWGYECVXPTI-UHFFFAOYSA-N 0 0 334.354 3.698 50 30 EHEARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C#N)cc3)cc2)cs1 ZINC000012614354 564060655 /nfs/dbraw/zinc/06/06/55/564060655.db2.gz NWSAZNFPEMDAMB-UHFFFAOYSA-N 0 0 333.416 3.920 50 30 EHEARN CC(=O)c1ccccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000012615170 564060656 /nfs/dbraw/zinc/06/06/56/564060656.db2.gz KUQIAKOSQFGXEI-UHFFFAOYSA-N 0 0 333.347 3.705 50 30 EHEARN Cc1ccc(-c2nc3ccc(Cl)cc3n2OC(=O)N(C)C)cc1 ZINC000001389404 564064358 /nfs/dbraw/zinc/06/43/58/564064358.db2.gz JPKVHSYBXDUMKQ-UHFFFAOYSA-N 0 0 329.787 3.775 50 30 EHEARN CCO[P@](=O)(c1ccccc1)C1C(=O)C=C(C(C)(C)C)C(=O)C1=O ZINC000001421267 564066642 /nfs/dbraw/zinc/06/66/42/564066642.db2.gz QILIFOOKTOSGJM-XMMPIXPASA-N 0 0 348.335 3.520 50 30 EHEARN N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccon3)cc2)cc1 ZINC000084384029 564068006 /nfs/dbraw/zinc/06/80/06/564068006.db2.gz DIQXVINHAOUMOQ-UHFFFAOYSA-N 0 0 334.335 3.660 50 30 EHEARN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H]3O[C@]32C1 ZINC000005166631 564073340 /nfs/dbraw/zinc/07/33/40/564073340.db2.gz RUQCGCWODJEVJZ-YLIUIRKJSA-N 0 0 346.467 3.661 50 30 EHEARN O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000085474074 564073573 /nfs/dbraw/zinc/07/35/73/564073573.db2.gz WHZXYJKQQMYWLO-UHFFFAOYSA-N 0 0 339.338 3.579 50 30 EHEARN C=CCOC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000013122555 564073741 /nfs/dbraw/zinc/07/37/41/564073741.db2.gz VJRZCOQFRWVNGN-NSMFRCMUSA-N 0 0 333.387 3.743 50 30 aggregator EHEARN C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c1 ZINC000002336593 564074812 /nfs/dbraw/zinc/07/48/12/564074812.db2.gz OUSTULVDUAGIBR-SFHVURJKSA-N 0 0 347.370 3.533 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2ccccc2)no1 ZINC000012848208 564075249 /nfs/dbraw/zinc/07/52/49/564075249.db2.gz KQINRMKRFIQJMR-CQSZACIVSA-N 0 0 348.358 3.724 50 30 EHEARN CCCNc1ccc(C#N)cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000075092560 564079907 /nfs/dbraw/zinc/07/99/07/564079907.db2.gz RIUVWEKYKZAOCJ-KBXCAEBGSA-N 0 0 329.444 3.914 50 30 EHEARN Cn1c2cc(C#N)ccc2nc1NCc1cccc(OC(F)F)c1 ZINC000225640742 564082326 /nfs/dbraw/zinc/08/23/26/564082326.db2.gz YHUHJEMISFGWJC-UHFFFAOYSA-N 0 0 328.322 3.658 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cnc2ccccc2c1 ZINC000130247875 564088944 /nfs/dbraw/zinc/08/89/44/564088944.db2.gz KBLZXMVOMCCMGL-UHFFFAOYSA-N 0 0 341.414 3.864 50 30 EHEARN N#Cc1ccc(CNC(=O)N[C@H](c2ccco2)c2ccccc2)c(F)c1 ZINC000075584460 564089669 /nfs/dbraw/zinc/08/96/69/564089669.db2.gz WVTSSAISTGSKOO-IBGZPJMESA-N 0 0 349.365 3.879 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192480269 564090188 /nfs/dbraw/zinc/09/01/88/564090188.db2.gz QUTFYIINTAMPAH-JTQLQIEISA-N 0 0 336.233 3.704 50 30 EHEARN Cc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)c(O)c1 ZINC000006533780 564091655 /nfs/dbraw/zinc/09/16/55/564091655.db2.gz PBYMAWOQOFWWJE-UHFFFAOYSA-N 0 0 345.196 3.844 50 30 EHEARN CC/N=C1\NN=C(c2cc(C)n(CCc3ccccc3)c2C)CS1 ZINC000006637492 564094721 /nfs/dbraw/zinc/09/47/21/564094721.db2.gz UTCRFWYTNUUBSA-UHFFFAOYSA-N 0 0 340.496 3.764 50 30 EHEARN C=CCN(Cc1nccn1Cc1ccccc1Cl)C(=O)NC(C)C ZINC000006689481 564095816 /nfs/dbraw/zinc/09/58/16/564095816.db2.gz HBZKXDVOXYHAJN-UHFFFAOYSA-N 0 0 346.862 3.691 50 30 EHEARN C[C@@H](CN1CC(=O)C(c2nc3ccccc3s2)=C1N)c1ccccc1 ZINC000064838114 564096756 /nfs/dbraw/zinc/09/67/56/564096756.db2.gz NCFBPAVKZITMDL-ZDUSSCGKSA-N 0 0 349.459 3.612 50 30 EHEARN C=CCN(C[C@@H]1CC(c2cccc(F)c2)=NO1)C(=O)C1CCCC1 ZINC000006873989 564100266 /nfs/dbraw/zinc/10/02/66/564100266.db2.gz NXKZOAVKISJPRG-KRWDZBQOSA-N 0 0 330.403 3.524 50 30 EHEARN Cc1sc2ncnc(NCCNc3cccc(F)c3C#N)c2c1C ZINC000170633447 564116417 /nfs/dbraw/zinc/11/64/17/564116417.db2.gz IUPWLBZRIJCVLB-UHFFFAOYSA-N 0 0 341.415 3.843 50 30 EHEARN N#Cc1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000002202955 564120959 /nfs/dbraw/zinc/12/09/59/564120959.db2.gz HGZGKCQOPGCVFJ-UHFFFAOYSA-N 0 0 333.782 3.740 50 30 EHEARN COCCN1C(=O)/C(=C/c2cccs2)SC1=Nc1ccccc1 ZINC000252612932 564121866 /nfs/dbraw/zinc/12/18/66/564121866.db2.gz IXGZAZDWTARKPB-ZYJJYICWSA-N 0 0 344.461 3.999 50 30 EHEARN C[C@](O)(C#CCN1CCCC[C@H]1c1cccnc1)CCc1ccccc1 ZINC000252695440 564124982 /nfs/dbraw/zinc/12/49/82/564124982.db2.gz ZWXAFZKAAAQSKI-GOTSBHOMSA-N 0 0 348.490 3.996 50 30 biogenic EHEARN N#Cc1ccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)nc1 ZINC000253398664 564130583 /nfs/dbraw/zinc/13/05/83/564130583.db2.gz JXAZRTCIMIYRBA-OAHLLOKOSA-N 0 0 333.313 3.550 50 30 EHEARN CCc1c(C)sc(NC(=O)c2cc3ccccc3c(=O)o2)c1C#N ZINC000253425049 564131082 /nfs/dbraw/zinc/13/10/82/564131082.db2.gz AJMUYOWTUCTASI-UHFFFAOYSA-N 0 0 338.388 3.849 50 30 EHEARN N#Cc1ccc(Oc2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000017976272 564132691 /nfs/dbraw/zinc/13/26/91/564132691.db2.gz LKAJSEKDBIYPOW-IRXDYDNUSA-N 0 0 344.370 3.806 50 30 EHEARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000227160 564133043 /nfs/dbraw/zinc/13/30/43/564133043.db2.gz FSHDWULWCNCPFV-UHFFFAOYSA-N 0 0 326.421 3.825 50 30 EHEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1C ZINC000000256538 564133082 /nfs/dbraw/zinc/13/30/82/564133082.db2.gz OWOAJQSVWWBCHY-UHFFFAOYSA-N 0 0 326.421 3.743 50 30 EHEARN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)C(C)(C)C)c2C#N)C1 ZINC000000559974 564133393 /nfs/dbraw/zinc/13/33/93/564133393.db2.gz HXOVWMQWIBPONP-SECBINFHSA-N 0 0 335.498 3.604 50 30 EHEARN CC(C)NC(=O)Cn1cnc(-c2ccccc2)c1-c1ccc(C#N)cc1 ZINC000065399328 564134319 /nfs/dbraw/zinc/13/43/19/564134319.db2.gz UCBGLQJYIKMXQL-UHFFFAOYSA-N 0 0 344.418 3.613 50 30 EHEARN C=C(Br)CSc1nnc(Cc2cccc(OC)c2)o1 ZINC000066256754 564135359 /nfs/dbraw/zinc/13/53/59/564135359.db2.gz QUJJMBYRJMZPLY-UHFFFAOYSA-N 0 0 341.230 3.670 50 30 EHEARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000328586557 564136520 /nfs/dbraw/zinc/13/65/20/564136520.db2.gz FIZAUPYSKIAMGE-DEWZPKMOSA-N 0 0 347.480 3.810 50 30 EHEARN C=CC[C@H](CC)NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000281146598 564142193 /nfs/dbraw/zinc/14/21/93/564142193.db2.gz AVOKEKDGVXWXBD-AWEZNQCLSA-N 0 0 336.863 3.688 50 30 EHEARN Cc1nnc(SCc2csc([C@@H]3CCCO3)n2)c(C#N)c1C ZINC000096004632 564144487 /nfs/dbraw/zinc/14/44/87/564144487.db2.gz OINNUVQTPAACOW-ZDUSSCGKSA-N 0 0 332.454 3.565 50 30 EHEARN C=CC[C@H](NC(=O)/C=C\c1ccc(OC)cc1OC)c1ccncc1 ZINC000096054767 564145126 /nfs/dbraw/zinc/14/51/26/564145126.db2.gz LVNFRVGCYSHCDO-CNRGFGOASA-N 0 0 338.407 3.546 50 30 EHEARN C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](C)CC2)cc1OC ZINC000096134116 564145773 /nfs/dbraw/zinc/14/57/73/564145773.db2.gz XBTBUPDGOBTREY-YHWKNFMLSA-N 0 0 329.440 3.922 50 30 EHEARN N#Cc1ccccc1/C=C\C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000096402748 564147147 /nfs/dbraw/zinc/14/71/47/564147147.db2.gz CAUCTWJSGSNINN-HJWRWDBZSA-N 0 0 331.297 3.562 50 30 EHEARN C#CCOc1ccc(N(C)C(=O)c2csc([C@H](C)OCC)n2)cc1 ZINC000096416462 564147814 /nfs/dbraw/zinc/14/78/14/564147814.db2.gz SYBKDACCBFTCIF-ZDUSSCGKSA-N 0 0 344.436 3.529 50 30 EHEARN CCc1c(C)sc(NC(=O)c2cc(-c3ccco3)on2)c1C#N ZINC000002602349 564151135 /nfs/dbraw/zinc/15/11/35/564151135.db2.gz RNRZWZBHGBGRSP-UHFFFAOYSA-N 0 0 327.365 3.991 50 30 EHEARN COc1ccc(-c2cc(C(F)(F)Cl)n3ncc(C#N)c3n2)cc1 ZINC000002786522 564152635 /nfs/dbraw/zinc/15/26/35/564152635.db2.gz VWHYWKICCAPPLS-UHFFFAOYSA-N 0 0 334.713 3.565 50 30 EHEARN C#CC(C)(C)NC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F ZINC000003128273 564155336 /nfs/dbraw/zinc/15/53/36/564155336.db2.gz JGOJNSZSKXKDOC-UHFFFAOYSA-N 0 0 348.355 3.729 50 30 EHEARN Cc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 ZINC000003176695 564155677 /nfs/dbraw/zinc/15/56/77/564155677.db2.gz NFEBPRWZEXUYDR-UHFFFAOYSA-N 0 0 347.443 3.835 50 30 EHEARN N#Cc1ccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003229165 564156306 /nfs/dbraw/zinc/15/63/06/564156306.db2.gz XYJVKWVFOPHCSJ-UHFFFAOYSA-N 0 0 333.265 3.617 50 30 EHEARN C=CCNC(=S)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000003247733 564156540 /nfs/dbraw/zinc/15/65/40/564156540.db2.gz JRDAXPPYZPURIK-KRWDZBQOSA-N 0 0 336.888 3.671 50 30 EHEARN N#CCCN(C(=S)NCCc1ccccc1)c1ccc(F)cc1 ZINC000003257358 564156695 /nfs/dbraw/zinc/15/66/95/564156695.db2.gz VBFGFSRQICAOSU-UHFFFAOYSA-N 0 0 327.428 3.663 50 30 EHEARN N#Cc1ccccc1OCC(=O)N(c1nccs1)C1CCCCC1 ZINC000003293268 564157133 /nfs/dbraw/zinc/15/71/33/564157133.db2.gz HBWUSKLIMTVQPD-UHFFFAOYSA-N 0 0 341.436 3.759 50 30 EHEARN COc1ccc(Br)cc1COC(=O)c1ccc(C#N)cc1 ZINC000008069230 564162501 /nfs/dbraw/zinc/16/25/01/564162501.db2.gz FZFKARXAHMBSMY-UHFFFAOYSA-N 0 0 346.180 3.686 50 30 EHEARN CCCN1c2ccccc2C(=NN=c2ccc3ccccc3[nH]2)C1=O ZINC000008682616 564166304 /nfs/dbraw/zinc/16/63/04/564166304.db2.gz PCMAXUVUKWLRDM-NMWGTECJSA-N 0 0 330.391 3.808 50 30 EHEARN N#CCCN(Cc1cccnc1)C(=O)CCSc1ccccc1F ZINC000069487311 564169844 /nfs/dbraw/zinc/16/98/44/564169844.db2.gz WPTBSALHDHUJEL-UHFFFAOYSA-N 0 0 343.427 3.645 50 30 EHEARN COc1ccc(-c2nc(CN(CCC#N)[C@H](C)C3CC3)co2)cc1 ZINC000069595938 564170799 /nfs/dbraw/zinc/17/07/99/564170799.db2.gz UQTVDEJXAQOBRK-CQSZACIVSA-N 0 0 325.412 3.864 50 30 EHEARN CC(C)c1[nH]nc(C(=O)Nc2ccc(CC#N)cc2)c1Br ZINC000069698009 564171540 /nfs/dbraw/zinc/17/15/40/564171540.db2.gz XSGCRSGUIZCQTQ-UHFFFAOYSA-N 0 0 347.216 3.614 50 30 EHEARN C=CCn1c(SCCCCOC)nnc1-c1ccccc1OC ZINC000069739504 564171855 /nfs/dbraw/zinc/17/18/55/564171855.db2.gz QKKZJZNYJFPRGT-UHFFFAOYSA-N 0 0 333.457 3.658 50 30 EHEARN C[C@@H](NC(=O)c1cccc(C#N)c1)c1nc(-c2ccncc2)cs1 ZINC000069918276 564172777 /nfs/dbraw/zinc/17/27/77/564172777.db2.gz WVBVFKPSEOSTGW-GFCCVEGCSA-N 0 0 334.404 3.568 50 30 EHEARN Cc1oc(-c2cccs2)nc1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000070008984 564173276 /nfs/dbraw/zinc/17/32/76/564173276.db2.gz DFRGCQDLQSQNGU-UHFFFAOYSA-N 0 0 347.399 3.946 50 30 EHEARN C=CCCC(=O)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(C)C ZINC000070038171 564173474 /nfs/dbraw/zinc/17/34/74/564173474.db2.gz RMSIDMKGYUMOCK-UHFFFAOYSA-N 0 0 341.411 3.509 50 30 EHEARN CCOc1ccccc1C1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000071841884 564175834 /nfs/dbraw/zinc/17/58/34/564175834.db2.gz NPOFWULDYJYLLS-UHFFFAOYSA-N 0 0 326.440 3.875 50 30 EHEARN C[C@H](C(=O)NC1CCN(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000078118181 564176900 /nfs/dbraw/zinc/17/69/00/564176900.db2.gz GDFZMJOPJWHYPD-AWEZNQCLSA-N 0 0 339.464 3.508 50 30 EHEARN CCOC(=O)C1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000016841511 564177061 /nfs/dbraw/zinc/17/70/61/564177061.db2.gz BCGYFVMZMGVLKK-UHFFFAOYSA-N 0 0 343.814 3.539 50 30 EHEARN Cc1nn(C)cc1C(=O)/C=C/c1ccccc1OCc1cccnc1 ZINC000054806819 568422318 /nfs/dbraw/zinc/42/23/18/568422318.db2.gz HLZWQBOGMASSNR-MDZDMXLPSA-N 0 0 333.391 3.599 50 30 EHEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCCC2 ZINC000000366726 568422619 /nfs/dbraw/zinc/42/26/19/568422619.db2.gz JJNHHWGDTGHYJF-UHFFFAOYSA-N 0 0 341.411 3.702 50 30 EHEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCO3)sc2C1 ZINC000000368812 568422633 /nfs/dbraw/zinc/42/26/33/568422633.db2.gz KMILGOZZOHHFHY-FZMZJTMJSA-N 0 0 332.469 3.888 50 30 EHEARN O=C1c2ccccc2C(=O)C(N2CCCCC2)=C1Nc1cccc(O)c1 ZINC000096243302 1023823971 /nfs/dbraw/zinc/82/39/71/1023823971.db2.gz WXKKXGUBCFUKNE-UHFFFAOYSA-N 0 0 348.402 3.581 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)CCO[C@](C)(CC)C1 ZINC000004951064 1027752986 /nfs/dbraw/zinc/75/29/86/1027752986.db2.gz LQFZXZWNYQBDOY-SXLOBPIMSA-N 0 0 329.440 3.915 50 30 EHEARN N#C[C@]1(NC(=O)/C=C/c2c(Cl)cccc2Cl)CCSC1 ZINC000084339016 1031457414 /nfs/dbraw/zinc/45/74/14/1031457414.db2.gz AORVLEXWTMMYHQ-ISZGNANSSA-N 0 0 327.236 3.522 50 30 EHEARN O=C1c2ccccc2SC/C1=C\c1ccc(-n2cncn2)c(F)c1 ZINC000024833324 1039986039 /nfs/dbraw/zinc/98/60/39/1039986039.db2.gz ADBWLPRHJWIITN-NTUHNPAUSA-N 0 0 337.379 3.778 50 30 EHEARN Cc1ncc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)c(C)n1 ZINC000297960618 1040851150 /nfs/dbraw/zinc/85/11/50/1040851150.db2.gz VQTXYHRWKINCRS-VHSXEESVSA-N 0 0 340.452 3.965 50 30 EHEARN Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2)sc1C ZINC000332407863 1041649474 /nfs/dbraw/zinc/64/94/74/1041649474.db2.gz ILLBNZHVPPRGHD-QGZVFWFLSA-N 0 0 339.464 3.580 50 30 EHEARN O=C(/C=C/c1ccccn1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000047537384 1041710224 /nfs/dbraw/zinc/71/02/24/1041710224.db2.gz OGFABXPOJQUPEL-OUKQBFOZSA-N 0 0 325.371 3.528 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000075542751 1128865745 /nfs/dbraw/zinc/86/57/45/1128865745.db2.gz NFRYMAOWXXLPRT-RBUKOAKNSA-N 0 0 335.407 3.678 50 30 EHEARN CC(C)CCOc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1 ZINC000263627129 1124951541 /nfs/dbraw/zinc/95/15/41/1124951541.db2.gz PSLQBYWNKNJPHK-UHFFFAOYSA-N 0 0 336.391 3.742 50 30 EHEARN Cn1ccc(/C=C2\CCCc3cc(Br)ccc3C2=O)n1 ZINC000585083005 1136968028 /nfs/dbraw/zinc/96/80/28/1136968028.db2.gz URFZDAVDBKTPRN-ZRDIBKRKSA-N 0 0 331.213 3.785 50 30 EHEARN C=C(C)C[C@H](C)C(=O)N1CC2(CC(OC)(OC)C2)[C@@H]1c1ccccc1 ZINC000585126806 1137017050 /nfs/dbraw/zinc/01/70/50/1137017050.db2.gz IWIHATZPFSFCRG-WMZOPIPTSA-N 0 0 343.467 3.942 50 30 EHEARN C#CCCC1(CCC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)N=N1 ZINC000952879517 1137483250 /nfs/dbraw/zinc/48/32/50/1137483250.db2.gz FEPUSEPXSCAKTK-MRXNPFEDSA-N 0 0 345.830 3.675 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)N=N1 ZINC000952881786 1137483527 /nfs/dbraw/zinc/48/35/27/1137483527.db2.gz MXGGJCUCCVZJOS-GOSISDBHSA-N 0 0 338.455 3.772 50 30 EHEARN CCn1cncc1[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000952995360 1137485976 /nfs/dbraw/zinc/48/59/76/1137485976.db2.gz JMKQAUZDTYUVBH-INIZCTEOSA-N 0 0 341.390 3.673 50 30 EHEARN CN(C)c1ccc(C=CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000051034118 214074816 /nfs/dbraw/zinc/07/48/16/214074816.db2.gz AMQKCXJAFJMMJT-CKDIWJPDSA-N 0 0 330.391 3.519 50 30 EHEARN N#Cc1ccc(OCc2csc(-c3ncccn3)n2)c(Cl)c1 ZINC000053611748 214191559 /nfs/dbraw/zinc/19/15/59/214191559.db2.gz HTUUTASXEANKFX-UHFFFAOYSA-N 0 0 328.784 3.704 50 30 EHEARN O=[N+]([O-])c1cccc(/C=N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004703531 210253227 /nfs/dbraw/zinc/25/32/27/210253227.db2.gz BAFYOUBCQDKVQR-GONBZBRSSA-N 0 0 332.703 3.609 50 30 EHEARN N#Cc1ccc(CCC(=O)N2CCC(COc3ccccc3)CC2)cc1 ZINC000055424244 214323449 /nfs/dbraw/zinc/32/34/49/214323449.db2.gz RJPRKVXVYYDEEJ-UHFFFAOYSA-N 0 0 348.446 3.808 50 30 EHEARN Cc1nc(SCC(=O)Nc2ccccc2C#N)[nH]c1CC(C)C ZINC000004626145 210235468 /nfs/dbraw/zinc/23/54/68/210235468.db2.gz PWCBAUHRCSHYGX-UHFFFAOYSA-N 0 0 328.441 3.519 50 30 EHEARN COc1ccc2cc(Nc3cc(C#N)c(C#N)cc3[N+](=O)[O-])cnc2c1 ZINC000004618244 210232142 /nfs/dbraw/zinc/23/21/42/210232142.db2.gz XLNHOJQONDFMJN-UHFFFAOYSA-N 0 0 345.318 3.639 50 30 EHEARN O=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(Br)cc1 ZINC000100055064 219090143 /nfs/dbraw/zinc/09/01/43/219090143.db2.gz ZKPCHDPKKSSUOC-ZROIWOOFSA-N 0 0 343.180 3.580 50 30 EHEARN Cc1ccc(-n2nnnc2C=CNc2cc(Cl)ccc2C#N)cc1 ZINC000100138150 219092241 /nfs/dbraw/zinc/09/22/41/219092241.db2.gz SPDURXYGEBLPPE-CMDGGOBGSA-N 0 0 336.786 3.579 50 30 EHEARN CCOC(=O)c1nnsc1NC=Nc1ccc(Cl)cc1Cl ZINC000004477826 210198378 /nfs/dbraw/zinc/19/83/78/210198378.db2.gz JSYJRLQRCLQSDS-UHFFFAOYSA-N 0 0 345.211 3.794 50 30 EHEARN COc1ccc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)cc1 ZINC000100590896 219101972 /nfs/dbraw/zinc/10/19/72/219101972.db2.gz MUFYHTGUVQFKAV-HNENSFHCSA-N 0 0 325.437 3.634 50 30 EHEARN C=CCSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)CCCC1=N2 ZINC000004436248 210192793 /nfs/dbraw/zinc/19/27/93/210192793.db2.gz WFGBLHRPOUFJDP-MRXNPFEDSA-N 0 0 338.436 3.578 50 30 EHEARN COc1ccccc1N(/C=C1\Sc2ccccc2C1=O)C(C)=O ZINC000100841234 219108527 /nfs/dbraw/zinc/10/85/27/219108527.db2.gz DZDYIIPCHCOZIX-BOPFTXTBSA-N 0 0 325.389 3.878 50 30 EHEARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C#N)c1 ZINC000065114178 214828667 /nfs/dbraw/zinc/82/86/67/214828667.db2.gz PMLZSAYYTFGXKX-UHFFFAOYSA-N 0 0 332.363 3.730 50 30 EHEARN CCC[NH+]=Cc1c(CCC)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000101534763 219132988 /nfs/dbraw/zinc/13/29/88/219132988.db2.gz MEAYICBBWREZDJ-WOJGMQOQSA-N 0 0 328.441 3.969 50 30 EHEARN CO/N=C1\CS[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 ZINC000004108868 210121850 /nfs/dbraw/zinc/12/18/50/210121850.db2.gz SCVLSUXYUWLYKX-VAFHRPCXSA-N 0 0 330.434 3.500 50 30 EHEARN CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004082197 210114353 /nfs/dbraw/zinc/11/43/53/210114353.db2.gz JMIZEABJISSYOQ-XGLSGWNZSA-N 0 0 330.468 3.935 50 30 biogenic EHEARN CC(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004004423 210098617 /nfs/dbraw/zinc/09/86/17/210098617.db2.gz HGKPMHBASLNQCJ-NJDAHSKKSA-N 0 0 339.398 3.677 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@@H](c1ccccc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000003901959 210089161 /nfs/dbraw/zinc/08/91/61/210089161.db2.gz SRYXQBHPVZMMOV-QGPMSJSTSA-N 0 0 345.439 3.687 50 30 EHEARN C=CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000003667641 210072404 /nfs/dbraw/zinc/07/24/04/210072404.db2.gz TYQKWXWUQPKJDI-LGMDPLHJSA-N 0 0 342.464 3.642 50 30 EHEARN N#C[C@@H](NC(=O)CCc1nccs1)c1cccc(Cl)c1Cl ZINC000066392020 215037979 /nfs/dbraw/zinc/03/79/79/215037979.db2.gz DCHRPIUSDMDOPQ-LLVKDONJSA-N 0 0 340.235 3.764 50 30 EHEARN N#Cc1cccc(NC(=O)CSc2nc3ccccc3s2)c1 ZINC000003602834 210063507 /nfs/dbraw/zinc/06/35/07/210063507.db2.gz ICSMUMMFHBVTBI-UHFFFAOYSA-N 0 0 325.418 3.899 50 30 EHEARN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1c(F)cccc1Cl ZINC000003409011 210031386 /nfs/dbraw/zinc/03/13/86/210031386.db2.gz AVOPKBXHASLTQC-GFCCVEGCSA-N 0 0 345.805 3.810 50 30 EHEARN C=CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000003199864 209977010 /nfs/dbraw/zinc/97/70/10/209977010.db2.gz NKGSLFWNKZTIIW-UHFFFAOYSA-N 0 0 327.405 3.874 50 30 EHEARN C=CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000002879226 209935015 /nfs/dbraw/zinc/93/50/15/209935015.db2.gz GZSMGBSJDJACGI-UHFFFAOYSA-N 0 0 342.351 3.811 50 30 EHEARN CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000002321125 209839549 /nfs/dbraw/zinc/83/95/49/209839549.db2.gz FQRPOUBLXAAISR-KUFCMUKVSA-N 0 0 327.409 3.524 50 30 EHEARN N#Cc1ccc(OCc2nc(-c3ccc(Br)o3)no2)cc1 ZINC000001426578 209746585 /nfs/dbraw/zinc/74/65/85/209746585.db2.gz ZRLIQTFWDWLNEA-UHFFFAOYSA-N 0 0 346.140 3.543 50 30 EHEARN CCOC(=O)c1c(NC=CC(=O)C(F)(F)F)sc2c1CCCC2 ZINC000105836040 219553871 /nfs/dbraw/zinc/55/38/71/219553871.db2.gz GUEVDLSJFXELOU-FPLPWBNLSA-N 0 0 347.358 3.861 50 30 EHEARN COc1ncccc1C(=O)N(CCC#N)c1cccc(C(F)(F)F)c1 ZINC000069775362 215574934 /nfs/dbraw/zinc/57/49/34/215574934.db2.gz HDUUHJMISWMWQM-UHFFFAOYSA-N 0 0 349.312 3.669 50 30 EHEARN CSc1nncn1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 ZINC000036611475 213100686 /nfs/dbraw/zinc/10/06/86/213100686.db2.gz BHYINLUMMUAELV-QGMBQPNBSA-N 0 0 348.815 3.708 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000036484906 213099798 /nfs/dbraw/zinc/09/97/98/213099798.db2.gz PMRSMIYEHNIQME-DZOHQFGASA-N 0 0 326.440 3.801 50 30 EHEARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(C#N)cc2)c1 ZINC000036359473 213089578 /nfs/dbraw/zinc/08/95/78/213089578.db2.gz MRQJRNWHTWTXIB-KRWDZBQOSA-N 0 0 344.374 3.876 50 30 EHEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)c(OC)c1 ZINC000035585744 213040118 /nfs/dbraw/zinc/04/01/18/213040118.db2.gz JZRQJSDHRRDVDZ-UHFFFAOYSA-N 0 0 337.423 3.879 50 30 EHEARN CCn1ncc(C(=O)/C=C/c2cc(O)ccc2Br)c1C ZINC000033580372 212955376 /nfs/dbraw/zinc/95/53/76/212955376.db2.gz CADHNWHTVVIGCX-QPJJXVBHSA-N 0 0 335.201 3.576 50 30 EHEARN N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000189683397 237141419 /nfs/dbraw/zinc/14/14/19/237141419.db2.gz HIJMSPPKUKFXCJ-GOSISDBHSA-N 0 0 345.406 3.644 50 30 EHEARN N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000189683379 237141947 /nfs/dbraw/zinc/14/19/47/237141947.db2.gz HIJMSPPKUKFXCJ-SFHVURJKSA-N 0 0 345.406 3.644 50 30 EHEARN C=C(C)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000000376201 209558095 /nfs/dbraw/zinc/55/80/95/209558095.db2.gz KZDMDRKYIIZEMY-UHFFFAOYSA-N 0 0 335.447 3.737 50 30 EHEARN COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000368913 209555430 /nfs/dbraw/zinc/55/54/30/209555430.db2.gz CHOFSUZFIJNCMQ-UHFFFAOYSA-N 0 0 342.420 3.768 50 30 EHEARN C=C(C)CSc1nnc(C2CC2)n1-c1cccc(NC(C)=O)c1 ZINC000026134586 212507763 /nfs/dbraw/zinc/50/77/63/212507763.db2.gz VCRSYZMTAKHDTC-UHFFFAOYSA-N 0 0 328.441 3.771 50 30 EHEARN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)C2 ZINC000074720888 216513460 /nfs/dbraw/zinc/51/34/60/216513460.db2.gz IJBQBIINSJWXKW-QGZVFWFLSA-N 0 0 337.423 3.674 50 30 EHEARN N#Cc1cccc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)c1 ZINC000206667775 241048345 /nfs/dbraw/zinc/04/83/45/241048345.db2.gz AOUJOJFOMYPJEF-UHFFFAOYSA-N 0 0 336.376 3.799 50 30 EHEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020519004 212142264 /nfs/dbraw/zinc/14/22/64/212142264.db2.gz YPJDJNLUCZUMSL-BOPFTXTBSA-N 0 0 327.380 3.833 50 30 EHEARN Cc1cc(Sc2nnc(/N=C/N(C)C)s2)c2ccccc2n1 ZINC000020414598 212127092 /nfs/dbraw/zinc/12/70/92/212127092.db2.gz TUKHBNWSNXWSSM-CXUHLZMHSA-N 0 0 329.454 3.767 50 30 EHEARN N#CC1(C#N)CC(C#N)(C#N)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000020065056 212099056 /nfs/dbraw/zinc/09/90/56/212099056.db2.gz ZCUVVJYOCRNUHD-RTBURBONSA-N 0 0 337.386 3.529 50 30 EHEARN Cc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019790565 212067858 /nfs/dbraw/zinc/06/78/58/212067858.db2.gz PQWLYSBPFYMUTB-KGENOOAVSA-N 0 0 327.859 3.800 50 30 EHEARN CCc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1[N+](=O)[O-] ZINC000019757299 212062518 /nfs/dbraw/zinc/06/25/18/212062518.db2.gz FQVAGUNTXLBHMF-UHFFFAOYSA-N 0 0 328.397 3.613 50 30 EHEARN CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000078665299 217098464 /nfs/dbraw/zinc/09/84/64/217098464.db2.gz VTBILNDXYTWWPI-UHFFFAOYSA-N 0 0 346.774 3.929 50 30 EHEARN CCOC(=O)c1cnc2c(C#N)cccc2c1NCc1ccccc1 ZINC000017306838 211964904 /nfs/dbraw/zinc/96/49/04/211964904.db2.gz BTZOBYZVSAKEAO-UHFFFAOYSA-N 0 0 331.375 3.895 50 30 EHEARN CN(C(=O)c1cccc(C#N)c1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000078979312 217162621 /nfs/dbraw/zinc/16/26/21/217162621.db2.gz AMOOKYXHMTTZQB-FQEVSTJZSA-N 0 0 345.377 3.954 50 30 EHEARN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1nc[nH]n1 ZINC000079020697 217176228 /nfs/dbraw/zinc/17/62/28/217176228.db2.gz HZSOANBMRQIEOA-MRVPVSSYSA-N 0 0 333.804 3.775 50 30 EHEARN CCc1cc(C#N)c(NC(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000079262940 217203036 /nfs/dbraw/zinc/20/30/36/217203036.db2.gz RJMZYJNNIWJLJV-UHFFFAOYSA-N 0 0 325.315 3.848 50 30 EHEARN N#Cc1ccccc1/C=C/C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000079336471 217210838 /nfs/dbraw/zinc/21/08/38/217210838.db2.gz CAUCTWJSGSNINN-CMDGGOBGSA-N 0 0 331.297 3.562 50 30 EHEARN C=CCN1C(=O)/C(=C\c2ccccc2Br)SC1=S ZINC000015011397 211788802 /nfs/dbraw/zinc/78/88/02/211788802.db2.gz KAYNKBFVYGUWEU-DHZHZOJOSA-N 0 0 340.267 3.836 50 30 EHEARN NC(=NC(=O)c1cccc(Cl)c1)Nc1nc2ccccc2s1 ZINC000012436548 211380753 /nfs/dbraw/zinc/38/07/53/211380753.db2.gz YHIBIZWSEUDESP-UHFFFAOYSA-N 0 0 330.800 3.517 50 30 EHEARN N#Cc1cccc(NCC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000011253301 211210848 /nfs/dbraw/zinc/21/08/48/211210848.db2.gz IHNTWSZCDPNNRT-HXUWFJFHSA-N 0 0 347.443 3.937 50 30 EHEARN C=CCOc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000009815188 211123657 /nfs/dbraw/zinc/12/36/57/211123657.db2.gz NGXGBTGFYAZHOL-UHFFFAOYSA-N 0 0 343.379 3.530 50 30 EHEARN C[C@@H](Sc1ncnc2ccsc21)C(=O)NC1(C#N)CCCCC1 ZINC000009363874 211074487 /nfs/dbraw/zinc/07/44/87/211074487.db2.gz FZAYPSJBLXNLFR-LLVKDONJSA-N 0 0 346.481 3.515 50 30 EHEARN O=C1NC(=NN=Cc2ccco2)S[C@@H]1Cc1ccccc1Cl ZINC000009109405 211040786 /nfs/dbraw/zinc/04/07/86/211040786.db2.gz VZJSWUICVIGNNI-LFMVTYOGSA-N 0 0 333.800 3.938 50 30 EHEARN COc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000008845939 211010267 /nfs/dbraw/zinc/01/02/67/211010267.db2.gz UVWVWBTZPMIHCN-DHZHZOJOSA-N 0 0 341.407 3.675 50 30 EHEARN CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000008756995 211000836 /nfs/dbraw/zinc/00/08/36/211000836.db2.gz FWSPKUYVKDZMHT-GFCCVEGCSA-N 0 0 342.782 3.820 50 30 EHEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccncc1 ZINC000008783659 211006262 /nfs/dbraw/zinc/00/62/62/211006262.db2.gz MIQBAPHESAOFNG-LUJKNUAXSA-N 0 0 331.419 3.614 50 30 EHEARN N#CC1(NC(=O)c2cc(C3CC3)nc3c2cnn3C2CCCCC2)CC1 ZINC000095399380 218332863 /nfs/dbraw/zinc/33/28/63/218332863.db2.gz IZVZXOLIVUKGKQ-UHFFFAOYSA-N 0 0 349.438 3.600 50 30 EHEARN Cc1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(C)(C)C)cs1 ZINC000095410294 218347378 /nfs/dbraw/zinc/34/73/78/218347378.db2.gz PVFYSHXHVRMGBH-UHFFFAOYSA-N 0 0 337.452 3.928 50 30 EHEARN C[C@@H]1CN(c2ccccc2NCc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000095431121 218373894 /nfs/dbraw/zinc/37/38/94/218373894.db2.gz ZAGRQJKQVYWMJP-ZIAGYGMSSA-N 0 0 327.453 3.845 50 30 EHEARN CC(=CN=Nc1nnc2c3cc(C)ccc3[nH]c2n1)Cc1ccco1 ZINC000006556938 210653966 /nfs/dbraw/zinc/65/39/66/210653966.db2.gz SLDDQVUZAINRNV-BODUPIQHSA-N 0 0 332.367 3.909 50 30 EHEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cccnc1 ZINC000006493658 210641052 /nfs/dbraw/zinc/64/10/52/210641052.db2.gz KCZTZDGVZFSSCV-SSDVNMTOSA-N 0 0 327.347 3.519 50 30 EHEARN O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000096920125 218898882 /nfs/dbraw/zinc/89/88/82/218898882.db2.gz ZXMZZWOBAGVFON-ALCCZGGFSA-N 0 0 347.292 3.932 50 30 EHEARN CC(C)Oc1ccc(NC(=O)NC[C@H](C)c2nccs2)cc1C#N ZINC000097113445 218961602 /nfs/dbraw/zinc/96/16/02/218961602.db2.gz LZAZXVOMMJHNCM-LBPRGKRZSA-N 0 0 344.440 3.727 50 30 EHEARN N#Cc1c(NC(=O)C2=Cc3ccccc3OC2)sc2c1CCCC2 ZINC000005034327 210370541 /nfs/dbraw/zinc/37/05/41/210370541.db2.gz QMOZJZLRHHYQGP-UHFFFAOYSA-N 0 0 336.416 3.913 50 30 EHEARN C=CCN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000005006050 210358972 /nfs/dbraw/zinc/35/89/72/210358972.db2.gz CSYZHSKXVFRLNS-WWFUZLPXSA-N 0 0 332.406 3.538 50 30 EHEARN CCOC(=O)SC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)S1 ZINC000004952976 210337591 /nfs/dbraw/zinc/33/75/91/210337591.db2.gz WNEGJFXAROHZJG-XFXZXTDPSA-N 0 0 336.438 3.613 50 30 EHEARN Cc1cc(O)ccc1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000189922530 257952551 /nfs/dbraw/zinc/95/25/51/257952551.db2.gz NCRDEIUBWHUKHX-UHFFFAOYSA-N 0 0 333.294 3.818 50 30 EHEARN N#CC(=NNc1ccc(OC(F)(F)F)cc1)C(=O)c1ccsc1 ZINC000000108565 258047440 /nfs/dbraw/zinc/04/74/40/258047440.db2.gz LVVCFHPYBUZBBP-UDWIEESQSA-N 0 0 339.298 3.821 50 30 EHEARN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000408513671 257984570 /nfs/dbraw/zinc/98/45/70/257984570.db2.gz MJAIYGOCCYLIMS-NHCUHLMSSA-N 0 0 341.414 3.748 50 30 EHEARN CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253498545 257998973 /nfs/dbraw/zinc/99/89/73/257998973.db2.gz JBVNBBXAMBZTMQ-BCRJPVCJSA-N 0 0 328.452 3.614 50 30 EHEARN C=CCOc1ccccc1NC(=O)N(CC)Cc1cnn(CC)c1 ZINC000096141675 258012509 /nfs/dbraw/zinc/01/25/09/258012509.db2.gz DXNAQVVPPYHRRX-UHFFFAOYSA-N 0 0 328.416 3.522 50 30 EHEARN Cc1ccc(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000012537318 258017487 /nfs/dbraw/zinc/01/74/87/258017487.db2.gz GTSHCENFYZFEPO-UHFFFAOYSA-N 0 0 326.399 3.971 50 30 EHEARN N#CCc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 ZINC000012621424 258055186 /nfs/dbraw/zinc/05/51/86/258055186.db2.gz BWZOCHGRWUXVGN-UHFFFAOYSA-N 0 0 346.390 3.764 50 30 EHEARN CC1(C)CO[C@H](c2ccccc2Cl)CN1C[C@H](C#N)CCC#N ZINC000071902822 258064122 /nfs/dbraw/zinc/06/41/22/258064122.db2.gz OEGHJSPNEWIOBR-YOEHRIQHSA-N 0 0 331.847 3.935 50 30 EHEARN Cc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000054124115 132189703 /nfs/dbraw/zinc/18/97/03/132189703.db2.gz HAARBQPZQONVMV-UHFFFAOYSA-N 0 0 349.390 3.874 50 30 EHEARN CN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000047891871 517889414 /nfs/dbraw/zinc/88/94/14/517889414.db2.gz JNQCVQPRSZHSDT-LJQANCHMSA-N 0 0 336.460 3.937 50 30 EHEARN C=CCN(Cc1cccc(OC)c1)C(=O)CCc1cccc(F)c1 ZINC000055281438 518783598 /nfs/dbraw/zinc/78/35/98/518783598.db2.gz PIVNTSFWMYCEED-UHFFFAOYSA-N 0 0 327.399 3.982 50 30 EHEARN CCOc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000033089324 520855876 /nfs/dbraw/zinc/85/58/76/520855876.db2.gz LZIYGQHDKZZEKI-JWGURIENSA-N 0 0 337.467 3.545 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(OC)cc1 ZINC000000428085 521276708 /nfs/dbraw/zinc/27/67/08/521276708.db2.gz UWDXAOVMLGESTC-VQIMIIECSA-N 0 0 340.375 3.608 50 30 EHEARN CCOC(=O)c1c(C)[nH]nc1N=NCc1ccc(Cl)c(Cl)c1 ZINC000004337477 521399688 /nfs/dbraw/zinc/39/96/88/521399688.db2.gz SHSAJYFPBYZMNF-REZTVBANSA-N 0 0 341.198 3.648 50 30 EHEARN CN(C)c1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000012564587 522127149 /nfs/dbraw/zinc/12/71/49/522127149.db2.gz FZYILWMPUIHINQ-JLHYYAGUSA-N 0 0 334.419 3.776 50 30 EHEARN COc1ccc(Cl)cc1C(=O)O/N=C1/C=C(C(C)C)C(=O)C=C1C ZINC000004320957 524199617 /nfs/dbraw/zinc/19/96/17/524199617.db2.gz UTIAQJHNWAMWIC-HKWRFOASSA-N 0 0 347.798 3.973 50 30 EHEARN C[C@H](c1nnc(SCCCC#N)n1-c1ccc(Cl)cc1)N(C)C ZINC000044865600 526189965 /nfs/dbraw/zinc/18/99/65/526189965.db2.gz ODIOCKRVFUKYMR-GFCCVEGCSA-N 0 0 349.891 3.939 50 30 EHEARN Oc1ccccc1CN=Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000004837233 526370484 /nfs/dbraw/zinc/37/04/84/526370484.db2.gz DGKNGRDWDOAMCA-LPYMAVHISA-N 0 0 341.374 3.843 50 30 EHEARN O=C(/C=C/c1ccncc1)c1cccc(C(=O)/C=C\c2ccncc2)n1 ZINC000025692373 527644165 /nfs/dbraw/zinc/64/41/65/527644165.db2.gz HGLOEZLYCREKNY-XGXWUAJZSA-N 0 0 341.370 3.664 50 30 EHEARN N#CCc1ccc(NC(=O)COc2cccc(Br)c2)cc1 ZINC000000094669 563223541 /nfs/dbraw/zinc/22/35/41/563223541.db2.gz IKOKWHPVTFBICH-UHFFFAOYSA-N 0 0 345.196 3.533 50 30 EHEARN COc1ccc(OC)c(/N=C/c2cc(Br)ccc2O)c1 ZINC000000100391 563225605 /nfs/dbraw/zinc/22/56/05/563225605.db2.gz OMHHQSYZJNFGTF-RQZCQDPDSA-N 0 0 336.185 3.923 50 30 EHEARN c1ccc(N2CCN(N=C3c4ccccc4-c4ccccc43)CC2)nc1 ZINC000000298525 563275470 /nfs/dbraw/zinc/27/54/70/563275470.db2.gz ORMUUFSLRLMUAQ-UHFFFAOYSA-N 0 0 340.430 3.637 50 30 EHEARN Cc1ccc(S(=O)(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 ZINC000000438500 563313261 /nfs/dbraw/zinc/31/32/61/563313261.db2.gz POLBNOTXKZYWBY-RQZCQDPDSA-N 0 0 343.235 3.614 50 30 EHEARN CCN(CCC(F)(F)F)C(=O)CCCCOc1cccc(C#N)c1 ZINC000071894118 563488589 /nfs/dbraw/zinc/48/85/89/563488589.db2.gz ROUUBLFJXNSKHD-UHFFFAOYSA-N 0 0 342.361 3.908 50 30 EHEARN CSc1ccsc1/C(C)=N/OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004567165 563505268 /nfs/dbraw/zinc/50/52/68/563505268.db2.gz UDZVQFWFCNULKH-OQLLNIDSSA-N 0 0 336.394 3.959 50 30 EHEARN O=S(=O)(OCn1c2ccccc2sc1=S)c1ccccc1 ZINC000005572266 563540405 /nfs/dbraw/zinc/54/04/05/563540405.db2.gz KXWNDDPNSOEYNR-UHFFFAOYSA-N 0 0 337.447 3.795 50 30 EHEARN C[C@@H]1Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N/O)C1 ZINC000005696409 563545780 /nfs/dbraw/zinc/54/57/80/563545780.db2.gz XTVNPIPUPOMIEI-XJDKNSNDSA-N 0 0 332.201 3.667 50 30 EHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000002705530 563603167 /nfs/dbraw/zinc/60/31/67/563603167.db2.gz FXCWCWGFSZIAAQ-OAHLLOKOSA-N 0 0 343.379 3.652 50 30 EHEARN COCCCCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000071916057 563620726 /nfs/dbraw/zinc/62/07/26/563620726.db2.gz AUDLHJLUJHYFTH-UHFFFAOYSA-N 0 0 328.437 3.720 50 30 EHEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1OC ZINC000012804468 563674114 /nfs/dbraw/zinc/67/41/14/563674114.db2.gz VPBQUNFYIHZOLA-QGZVFWFLSA-N 0 0 340.379 3.565 50 30 EHEARN C=CCn1c(C)cc(C(=O)CSc2nnc(C)n2C2CC2)c1C ZINC000032741787 563721727 /nfs/dbraw/zinc/72/17/27/563721727.db2.gz OVXAZOBJVYKLGH-UHFFFAOYSA-N 0 0 330.457 3.501 50 30 EHEARN C=CCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(OC)cc1)(C3)C2 ZINC000032768083 563729616 /nfs/dbraw/zinc/72/96/16/563729616.db2.gz CBRJJAMIUUWAJH-XBLGPDGASA-N 0 0 325.452 3.835 50 30 EHEARN COc1ccc2[nH]c(=NC=C3C(=O)CC(C)(C)CC3=O)sc2c1 ZINC000013999584 563735003 /nfs/dbraw/zinc/73/50/03/563735003.db2.gz UKKPTCKFICZWLY-UHFFFAOYSA-N 0 0 330.409 3.559 50 30 EHEARN COC(=O)[C@H]1CCCCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000032899554 563785349 /nfs/dbraw/zinc/78/53/49/563785349.db2.gz PCDBKRKQIUMWHV-HXUWFJFHSA-N 0 0 334.419 3.753 50 30 EHEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccccn3)n2)cc1 ZINC000004588234 563809416 /nfs/dbraw/zinc/80/94/16/563809416.db2.gz NHHVMACQCDMBTB-RQZCQDPDSA-N 0 0 325.353 3.559 50 30 EHEARN COc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1 ZINC000017722659 563845455 /nfs/dbraw/zinc/84/54/55/563845455.db2.gz ZYQFWYWHNJCNLX-UHFFFAOYSA-N 0 0 345.196 3.839 50 30 EHEARN CC(C)(C)c1csc(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000175629471 563871974 /nfs/dbraw/zinc/87/19/74/563871974.db2.gz NVRBACPFBJOQPS-UHFFFAOYSA-N 0 0 342.468 3.660 50 30 EHEARN N#CCC[C@H](C#N)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000024989630 563879375 /nfs/dbraw/zinc/87/93/75/563879375.db2.gz VGDBJIUHIAXLQS-CYBMUJFWSA-N 0 0 334.404 3.569 50 30 EHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000043509134 563891847 /nfs/dbraw/zinc/89/18/47/563891847.db2.gz GXPNNZBTMXVHKL-HKUYNNGSSA-N 0 0 342.487 3.527 50 30 EHEARN COc1ccc2cc(C(=O)Nc3ccc(OCC#N)cc3)c(C)nc2c1 ZINC000027105283 563894512 /nfs/dbraw/zinc/89/45/12/563894512.db2.gz OJSBLRRZAFHSKL-UHFFFAOYSA-N 0 0 347.374 3.707 50 30 EHEARN Cc1ccc(C#N)cc1NC(=O)c1n[nH]c(C(C)C)c1Br ZINC000072270388 563896196 /nfs/dbraw/zinc/89/61/96/563896196.db2.gz AIIIOUFJJDLZAC-UHFFFAOYSA-N 0 0 347.216 3.728 50 30 EHEARN COCCOc1ccc(C(=O)/C=C\c2cc(OC)cc(OC)c2)cc1 ZINC000096307368 563933164 /nfs/dbraw/zinc/93/31/64/563933164.db2.gz WGKOJABTOOFACP-WTKPLQERSA-N 0 0 342.391 3.625 50 30 EHEARN CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1F ZINC000058194123 563939473 /nfs/dbraw/zinc/93/94/73/563939473.db2.gz NMWDIRXJUDZRCO-HNNXBMFYSA-N 0 0 347.349 3.822 50 30 EHEARN COc1ccccc1[C@H](C#N)NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000096451245 563953748 /nfs/dbraw/zinc/95/37/48/563953748.db2.gz IPVPVAFKABHMQK-BBRMVZONSA-N 0 0 334.375 3.926 50 30 EHEARN CC(C)(C#N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000096462140 563954171 /nfs/dbraw/zinc/95/41/71/563954171.db2.gz VELNGEHKHYWUNA-UHFFFAOYSA-N 0 0 337.153 3.761 50 30 EHEARN Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)c[nH]c1=O ZINC000096496231 563955835 /nfs/dbraw/zinc/95/58/35/563955835.db2.gz ZMFVBZUSYHRBNP-UHFFFAOYSA-N 0 0 345.358 3.600 50 30 EHEARN CC(C)n1c(SCC#N)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033114561 563963532 /nfs/dbraw/zinc/96/35/32/563963532.db2.gz ROUQQCLHXUGOMZ-UHFFFAOYSA-N 0 0 338.436 3.599 50 30 EHEARN Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC#Cc1ccccc1 ZINC000096998931 563966586 /nfs/dbraw/zinc/96/65/86/563966586.db2.gz OSZBAKMAPGUHJI-UHFFFAOYSA-N 0 0 335.334 3.998 50 30 EHEARN N#Cc1c(NC(=O)c2ccc(Br)o2)sc2c1CCC2 ZINC000000033553 563967758 /nfs/dbraw/zinc/96/77/58/563967758.db2.gz NJBLYTQZFDMIKO-UHFFFAOYSA-N 0 0 337.198 3.716 50 30 EHEARN Cc1cc(C)n2cc(CSc3nc4c(c(C)c3C#N)CCC4)nc2n1 ZINC000060716305 563973688 /nfs/dbraw/zinc/97/36/88/563973688.db2.gz PBRWLEGUJRIOQR-UHFFFAOYSA-N 0 0 349.463 3.702 50 30 EHEARN COc1ccc(NC2=NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1 ZINC000000096450 563977894 /nfs/dbraw/zinc/97/78/94/563977894.db2.gz HFHXPKDVUXNGOU-UHFFFAOYSA-N 0 0 340.423 3.715 50 30 EHEARN N#Cc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Cl)c1 ZINC000085345100 563986107 /nfs/dbraw/zinc/98/61/07/563986107.db2.gz QIBFRLRKEACFHU-UHFFFAOYSA-N 0 0 346.770 3.732 50 30 EHEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000000249151 563989437 /nfs/dbraw/zinc/98/94/37/563989437.db2.gz CKPZAXYMRMUGRU-UHFFFAOYSA-N 0 0 342.420 3.768 50 30 EHEARN CCOC(=O)c1sc(NC(=S)Nc2ccccc2)c(C#N)c1C ZINC000000282114 563990195 /nfs/dbraw/zinc/99/01/95/563990195.db2.gz VWCGYLSOPHXKGY-UHFFFAOYSA-N 0 0 345.449 3.914 50 30 EHEARN C[C@@]1(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCOC1 ZINC000408514015 563992819 /nfs/dbraw/zinc/99/28/19/563992819.db2.gz RDOFLXXFIPBXRU-HXUWFJFHSA-N 0 0 336.391 3.502 50 30 EHEARN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cn(C)c3ccc(F)cc23)c1 ZINC000408515370 563993021 /nfs/dbraw/zinc/99/30/21/563993021.db2.gz RQSMPMOKNADGTQ-INIZCTEOSA-N 0 0 349.365 3.587 50 30 EHEARN C/C(=N/O)c1ccc(OCCOc2ccc(/C(C)=N\O)cc2)cc1 ZINC000100705383 563994992 /nfs/dbraw/zinc/99/49/92/563994992.db2.gz VRBLJIMDNCZYKK-AXPXABNXSA-N 0 0 328.368 3.541 50 30 EHEARN C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000024216230 563997996 /nfs/dbraw/zinc/99/79/96/563997996.db2.gz QBTSHZDTZAFCSU-HNNXBMFYSA-N 0 0 333.435 3.726 50 30 EHEARN COc1ccc(C(=O)C(C#N)=NNc2cccc(Cl)c2C)cc1 ZINC000252622672 563998020 /nfs/dbraw/zinc/99/80/20/563998020.db2.gz OAESVUUZJIRQOP-UHFFFAOYSA-N 0 0 327.771 3.831 50 30 EHEARN Cc1cc(NC2=CC(=O)CCC2)ccc1I ZINC000005174253 563999959 /nfs/dbraw/zinc/99/99/59/563999959.db2.gz DECODXGSLALJKW-UHFFFAOYSA-N 0 0 327.165 3.648 50 30 EHEARN C=CCSc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 ZINC000005266520 564001713 /nfs/dbraw/zinc/00/17/13/564001713.db2.gz RCINHNBBFGXASN-UHFFFAOYSA-N 0 0 348.431 3.825 50 30 EHEARN C[C@@H]1CCc2sc(NC(=O)COc3ccccc3)c(C#N)c2C1 ZINC000001518640 564003635 /nfs/dbraw/zinc/00/36/35/564003635.db2.gz JDTLEJBKKCFSCL-GFCCVEGCSA-N 0 0 326.421 3.762 50 30 EHEARN Cn1cc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)c2ccccc21 ZINC000005516380 564004975 /nfs/dbraw/zinc/00/49/75/564004975.db2.gz BFCQHOIRFFMKKA-YVLHZVERSA-N 0 0 349.415 3.776 50 30 EHEARN CC(C)c1ccc([C@H]2NC(=S)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002601636 564013140 /nfs/dbraw/zinc/01/31/40/564013140.db2.gz WNPBSGWESYAPOA-QGZVFWFLSA-N 0 0 328.481 3.972 50 30 EHEARN CCc1cc(=O)oc2cc(Oc3ccc(C#N)cc3[N+](=O)[O-])ccc12 ZINC000018056837 564017856 /nfs/dbraw/zinc/01/78/56/564017856.db2.gz AKRWUJIDZZACNS-UHFFFAOYSA-N 0 0 336.303 3.928 50 30 EHEARN N#Cc1ccccc1OCC(=O)Nc1scnc1-c1ccccc1 ZINC000102725841 564020469 /nfs/dbraw/zinc/02/04/69/564020469.db2.gz IVURVJHQMOTXTR-UHFFFAOYSA-N 0 0 335.388 3.699 50 30 EHEARN CCCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)cc2)c1 ZINC000103307576 564022062 /nfs/dbraw/zinc/02/20/62/564022062.db2.gz DKPUMHVVEMFMSR-QGZVFWFLSA-N 0 0 340.354 3.576 50 30 EHEARN N#Cc1c(COC(=O)c2c(F)cccc2Cl)cn2ccccc12 ZINC000014857946 564025214 /nfs/dbraw/zinc/02/52/14/564025214.db2.gz NYRLGMOWXWMCGB-UHFFFAOYSA-N 0 0 328.730 3.960 50 30 EHEARN C=CCn1c2ccc(NC(=O)Nc3ccc(CC)cc3)cc2oc1=O ZINC000046010586 564029143 /nfs/dbraw/zinc/02/91/43/564029143.db2.gz FZHVBMBFYRNHKJ-UHFFFAOYSA-N 0 0 337.379 3.987 50 30 EHEARN C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc4c(c3)CCC4)ccc21 ZINC000046010724 564029152 /nfs/dbraw/zinc/02/91/52/564029152.db2.gz YDRCUZUKLJFJIW-UHFFFAOYSA-N 0 0 349.390 3.913 50 30 EHEARN CN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000047891872 564029829 /nfs/dbraw/zinc/02/98/29/564029829.db2.gz JNQCVQPRSZHSDT-IBGZPJMESA-N 0 0 336.460 3.937 50 30 EHEARN Cc1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c(C)n1Cc1ccco1 ZINC000049405196 564032758 /nfs/dbraw/zinc/03/27/58/564032758.db2.gz DZIYQJWXEYDFEC-GOSISDBHSA-N 0 0 348.406 3.643 50 30 EHEARN C#CC[C@@H](OC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccn1 ZINC000113663154 564032858 /nfs/dbraw/zinc/03/28/58/564032858.db2.gz XYTMKOLECSJYMF-LJQANCHMSA-N 0 0 349.365 3.636 50 30 EHEARN CCOc1cc(COC(=O)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000024832036 564034015 /nfs/dbraw/zinc/03/40/15/564034015.db2.gz WSMADYULYYRCLJ-UHFFFAOYSA-N 0 0 347.317 3.915 50 30 EHEARN N#Cc1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 ZINC000033348291 564036722 /nfs/dbraw/zinc/03/67/22/564036722.db2.gz DLCANRDCEOGCAO-ALCCZGGFSA-N 0 0 343.364 3.652 50 30 EHEARN C=CCc1cc(C=C2SC(=O)NC2=O)cc(OCC)c1OCC ZINC000001012922 564054076 /nfs/dbraw/zinc/05/40/76/564054076.db2.gz OBEPRINDLGBFFL-GXDHUFHOSA-N 0 0 333.409 3.536 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C ZINC000257356038 564055921 /nfs/dbraw/zinc/05/59/21/564055921.db2.gz FJOFXGFQXDZWJF-DAGGVLAHSA-N 0 0 330.468 3.647 50 30 EHEARN COc1cccc(C2N=NC(=S)N2N=CC=Cc2ccccc2)c1 ZINC000005932594 564057102 /nfs/dbraw/zinc/05/71/02/564057102.db2.gz MLUHMPGZELVPSC-YKIVCEQRSA-N 0 0 336.420 3.790 50 30 EHEARN CCNC(=S)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000005952618 564057283 /nfs/dbraw/zinc/05/72/83/564057283.db2.gz XEUJJWYAFXWPJD-RQZCQDPDSA-N 0 0 339.873 3.902 50 30 EHEARN N#Cc1cccc(COc2cccc(NC(=O)c3cscn3)c2)c1 ZINC000063475829 564057606 /nfs/dbraw/zinc/05/76/06/564057606.db2.gz FTBKPZGJMQNAHD-UHFFFAOYSA-N 0 0 335.388 3.846 50 30 EHEARN COc1ccc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000003902937 564057906 /nfs/dbraw/zinc/05/79/06/564057906.db2.gz JJAYWLPIIGHCEY-RQZCQDPDSA-N 0 0 345.200 3.780 50 30 EHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000015317428 564060628 /nfs/dbraw/zinc/06/06/28/564060628.db2.gz OYNKGDACOGTJJT-CYBMUJFWSA-N 0 0 328.799 3.638 50 30 EHEARN N#Cc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cc1 ZINC000225533314 564062707 /nfs/dbraw/zinc/06/27/07/564062707.db2.gz HXNQSSOICHJRBZ-UHFFFAOYSA-N 0 0 342.402 3.959 50 30 EHEARN N#Cc1ccc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(Cl)c1 ZINC000084340790 564067834 /nfs/dbraw/zinc/06/78/34/564067834.db2.gz GVMSLHKUINWRTJ-UHFFFAOYSA-N 0 0 347.783 3.511 50 30 EHEARN COc1cccc([C@@H](C)CC(=O)N[C@H](C#N)c2ccccc2OC)c1 ZINC000084598785 564068966 /nfs/dbraw/zinc/06/89/66/564068966.db2.gz AYTDYZSYXWJQJN-KBXCAEBGSA-N 0 0 338.407 3.578 50 30 EHEARN CN(CCC#N)C(=O)Nc1c(F)cccc1OCc1ccccc1 ZINC000085591576 564074134 /nfs/dbraw/zinc/07/41/34/564074134.db2.gz HAWBFVNSDNQFAG-UHFFFAOYSA-N 0 0 327.359 3.782 50 30 EHEARN C=CCc1c2c(ccc1O)[nH]cc2S(=O)(=O)c1ccc(C)cc1 ZINC000015019009 564074239 /nfs/dbraw/zinc/07/42/39/564074239.db2.gz RXGZAWKAKBSPPA-UHFFFAOYSA-N 0 0 327.405 3.743 50 30 EHEARN C=CCn1nnc(NCc2ccc(-c3cccc(Cl)c3C)o2)n1 ZINC000032617076 564079354 /nfs/dbraw/zinc/07/93/54/564079354.db2.gz KBQAQATWNJZOJG-UHFFFAOYSA-N 0 0 329.791 3.693 50 30 EHEARN N#C[C@H](NC(=O)c1[nH]nc(C2CC2)c1Cl)c1ccc(Cl)cc1 ZINC000088667591 564079699 /nfs/dbraw/zinc/07/96/99/564079699.db2.gz RUJOUZNEFFCCNG-NSHDSACASA-N 0 0 335.194 3.589 50 30 EHEARN C[C@@H](c1ccc(Cl)cc1)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000064143106 564085309 /nfs/dbraw/zinc/08/53/09/564085309.db2.gz GBMJIHBGVMOHBM-ORAYPTAESA-N 0 0 345.874 3.674 50 30 EHEARN COc1cccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c1 ZINC000006451367 564087770 /nfs/dbraw/zinc/08/77/70/564087770.db2.gz RRQPCUKPNAVLBG-UHFFFAOYSA-N 0 0 335.388 3.943 50 30 EHEARN CN(C(=O)c1cc(-c2cccnc2)on1)c1cc(Cl)ccc1C#N ZINC000089364962 564089826 /nfs/dbraw/zinc/08/98/26/564089826.db2.gz ZCTNYEMZRKCMDR-UHFFFAOYSA-N 0 0 338.754 3.538 50 30 EHEARN N#Cc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000006638458 564094766 /nfs/dbraw/zinc/09/47/66/564094766.db2.gz GDXYODVLQUMIAU-UHFFFAOYSA-N 0 0 330.343 3.507 50 30 EHEARN Cc1ccc(C(=O)N2CCCn3cc(-c4cccc(C#N)c4)nc32)cc1 ZINC000065259563 564103580 /nfs/dbraw/zinc/10/35/80/564103580.db2.gz LBHWDSFGWOQMTI-UHFFFAOYSA-N 0 0 342.402 3.781 50 30 EHEARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000007168868 564105566 /nfs/dbraw/zinc/10/55/66/564105566.db2.gz QOLOLNSUAWJUGN-CQSZACIVSA-N 0 0 336.391 3.947 50 30 EHEARN N#Cc1ccccc1COC(=O)c1csc(NCc2ccccc2)n1 ZINC000007415549 564108161 /nfs/dbraw/zinc/10/81/61/564108161.db2.gz BPMBWAGVHSZFCU-UHFFFAOYSA-N 0 0 349.415 3.984 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2cccs2)C1 ZINC000007543175 564110259 /nfs/dbraw/zinc/11/02/59/564110259.db2.gz BKFXJHVILUVHHY-AWEZNQCLSA-N 0 0 337.448 3.800 50 30 EHEARN C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000071825484 564111286 /nfs/dbraw/zinc/11/12/86/564111286.db2.gz RWBBUHIDWRRNHS-OXJNMPFZSA-N 0 0 349.434 3.864 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000089858193 564114279 /nfs/dbraw/zinc/11/42/79/564114279.db2.gz RYSAAQAHUDBQJG-IFMALSPDSA-N 0 0 345.446 3.618 50 30 EHEARN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C3(C#N)CCCC3)cc2)n1 ZINC000076042396 564114711 /nfs/dbraw/zinc/11/47/11/564114711.db2.gz MAQJGNBPHFRTIE-MRXNPFEDSA-N 0 0 336.439 3.750 50 30 EHEARN C/N=C1\S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C ZINC000002121077 564118408 /nfs/dbraw/zinc/11/84/08/564118408.db2.gz NAZRLAPRFAUAEY-FBPBHIITSA-N 0 0 343.427 3.765 50 30 EHEARN N#CCSCC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194422478 564120503 /nfs/dbraw/zinc/12/05/03/564120503.db2.gz CXWYZXGGVVCVBT-UHFFFAOYSA-N 0 0 340.273 3.502 50 30 EHEARN COc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000007614215 564120967 /nfs/dbraw/zinc/12/09/67/564120967.db2.gz JCICTKNWXOAKKW-UHFFFAOYSA-N 0 0 349.415 3.872 50 30 EHEARN Cc1cccc2sc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)nc21 ZINC000007725186 564122296 /nfs/dbraw/zinc/12/22/96/564122296.db2.gz AQFLSNDNWFRHNH-GFCCVEGCSA-N 0 0 337.404 3.882 50 30 EHEARN COc1ccc(NC(=O)ON=C2CCCc3ccc(OC)cc32)cc1 ZINC000252622552 564122919 /nfs/dbraw/zinc/12/29/19/564122919.db2.gz NYALZPMIXYUPGG-UHFFFAOYSA-N 0 0 340.379 3.993 50 30 EHEARN COCc1cc(C)nc(SCC(=O)c2ccc(F)cc2F)c1C#N ZINC000000139776 564132879 /nfs/dbraw/zinc/13/28/79/564132879.db2.gz BTTCOJBHYMKJBR-UHFFFAOYSA-N 0 0 348.374 3.661 50 30 EHEARN COC(=O)CSc1nc2c(c([C@@H]3CC=CCC3)c1C#N)CCC2 ZINC000000240134 564133036 /nfs/dbraw/zinc/13/30/36/564133036.db2.gz KEFNCPLKMPVCML-GFCCVEGCSA-N 0 0 328.437 3.531 50 30 EHEARN N#Cc1ccccc1C(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000077437505 564134262 /nfs/dbraw/zinc/13/42/62/564134262.db2.gz CGLNEMPTWHUGJQ-LJQANCHMSA-N 0 0 346.430 3.612 50 30 EHEARN COc1cc2c(cc1N1CCCC1)[C@H](c1ccccc1C#N)CC(=O)N2 ZINC000065528293 564134364 /nfs/dbraw/zinc/13/43/64/564134364.db2.gz VGOLIPXXRYNYDS-INIZCTEOSA-N 0 0 347.418 3.641 50 30 EHEARN CCCO[C@H]1CCCN(C(=O)c2cccc(-c3cccc(C#N)n3)c2)C1 ZINC000426388422 564135053 /nfs/dbraw/zinc/13/50/53/564135053.db2.gz OVZOMRMTJXPEJB-IBGZPJMESA-N 0 0 349.434 3.651 50 30 EHEARN CCOCC1(CNC(=O)c2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000426405838 564135055 /nfs/dbraw/zinc/13/50/55/564135055.db2.gz XWKFYYZCXGWEKB-UHFFFAOYSA-N 0 0 334.419 3.772 50 30 EHEARN N#Cc1ccc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc1 ZINC000082107221 564135540 /nfs/dbraw/zinc/13/55/40/564135540.db2.gz LQBHSSWKXMAKRC-IBGZPJMESA-N 0 0 343.434 3.582 50 30 EHEARN Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc3c1OCC[C@H]3O)O2 ZINC000328588793 564136613 /nfs/dbraw/zinc/13/66/13/564136613.db2.gz QEHROEDOEGIQHK-AEFFLSMTSA-N 0 0 339.391 3.793 50 30 EHEARN CN(C)C(=O)c1cc(NCc2ccc(F)c(C#N)c2)ccc1Cl ZINC000124363657 564138037 /nfs/dbraw/zinc/13/80/37/564138037.db2.gz YQTSSTRIXGLWIG-UHFFFAOYSA-N 0 0 331.778 3.665 50 30 EHEARN C[C@H]1CN(c2ccccc2NCc2ccc(C#N)s2)C[C@H](C)O1 ZINC000095431120 564140363 /nfs/dbraw/zinc/14/03/63/564140363.db2.gz ZAGRQJKQVYWMJP-KBPBESRZSA-N 0 0 327.453 3.845 50 30 EHEARN C[C@@H](C#N)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000095449062 564140579 /nfs/dbraw/zinc/14/05/79/564140579.db2.gz NGVHYKGGUIILIS-LBPRGKRZSA-N 0 0 347.440 3.861 50 30 EHEARN Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(F)c(C#N)c2)no1 ZINC000095999779 564144348 /nfs/dbraw/zinc/14/43/48/564144348.db2.gz WADASNFHXUDCMF-OAHLLOKOSA-N 0 0 343.362 3.538 50 30 EHEARN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000096130150 564145763 /nfs/dbraw/zinc/14/57/63/564145763.db2.gz BORKTGIQTCLHCP-POHAHGRESA-N 0 0 343.386 3.653 50 30 EHEARN CCOc1ccc(NC(=O)N(C)[C@H](CC)c2cccnc2)cc1C#N ZINC000096161258 564145840 /nfs/dbraw/zinc/14/58/40/564145840.db2.gz RRJKJJZHWUNKSQ-QGZVFWFLSA-N 0 0 338.411 3.967 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(C)cc2)c(OC)c2c1OCO2 ZINC000096325940 564146772 /nfs/dbraw/zinc/14/67/72/564146772.db2.gz NXBCCVGOYBWEAY-CMDGGOBGSA-N 0 0 326.348 3.637 50 30 EHEARN N#Cc1ccnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000283876160 564148981 /nfs/dbraw/zinc/14/89/81/564148981.db2.gz VAVZEWVOJCIOOX-SFHVURJKSA-N 0 0 327.815 3.557 50 30 EHEARN N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000031662854 564159646 /nfs/dbraw/zinc/15/96/46/564159646.db2.gz KGLDDFUZPZDEJA-KGLIPLIRSA-N 0 0 341.333 3.570 50 30 EHEARN Cc1cc(C)c(C#N)c(N2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000004291913 564161492 /nfs/dbraw/zinc/16/14/92/564161492.db2.gz YKWLFRLMBIEMLG-UHFFFAOYSA-N 0 0 340.858 3.546 50 30 EHEARN CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000069583787 564170679 /nfs/dbraw/zinc/17/06/79/564170679.db2.gz GSJMLLFHPUBGLN-MFKMUULPSA-N 0 0 331.803 3.579 50 30 EHEARN N#CCCCOc1cccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)c1 ZINC000069657180 564171246 /nfs/dbraw/zinc/17/12/46/564171246.db2.gz MUEZXNMTLOCZEN-QGZVFWFLSA-N 0 0 341.798 3.877 50 30 EHEARN Cc1cccc(N(CCC#N)C(=O)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000069892669 564172674 /nfs/dbraw/zinc/17/26/74/564172674.db2.gz BVRFGKKZTPOSSL-UHFFFAOYSA-N 0 0 347.418 3.904 50 30 EHEARN Cc1nn(C)c(C)c1CC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000070018979 564173350 /nfs/dbraw/zinc/17/33/50/564173350.db2.gz WZNDBWNOBVJYNG-UHFFFAOYSA-N 0 0 349.459 3.679 50 30 EHEARN N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccccn1 ZINC000041481746 564173948 /nfs/dbraw/zinc/17/39/48/564173948.db2.gz NDPKPYIVXSDYIH-SFHVURJKSA-N 0 0 344.345 3.942 50 30 EHEARN C=CCNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000071280412 564174862 /nfs/dbraw/zinc/17/48/62/564174862.db2.gz XXDLWGOKQMCIMM-CYBMUJFWSA-N 0 0 328.239 3.807 50 30 EHEARN Cc1ccc(-c2ocnc2C(=O)OC[C@H](C#N)Cc2ccco2)cc1 ZINC000076912115 564176545 /nfs/dbraw/zinc/17/65/45/564176545.db2.gz UFDQPJHNRVPRIJ-AWEZNQCLSA-N 0 0 336.347 3.782 50 30 EHEARN Cc1cc(C(=O)CCC(=O)OCc2ccc(C#N)cc2)c(C)s1 ZINC000005768539 568418100 /nfs/dbraw/zinc/41/81/00/568418100.db2.gz RVGWOMZYPCXJPN-UHFFFAOYSA-N 0 0 327.405 3.943 50 30 EHEARN Cc1ccc(C(C)N=Nc2c(F)c(F)nc(F)c2F)cc1[N+](=O)[O-] ZINC000254411662 1018770694 /nfs/dbraw/zinc/77/06/94/1018770694.db2.gz PWCPDUMMRAFQEU-UHFFFAOYSA-N 0 0 342.252 3.691 50 30 EHEARN N#CC1(N(C2CC2)S(=O)(=O)c2csc3ccccc32)CCC1 ZINC000328975774 1022558287 /nfs/dbraw/zinc/55/82/87/1022558287.db2.gz BMTWPKJETSIHHH-UHFFFAOYSA-N 0 0 332.450 3.501 50 30 EHEARN COc1ccc2c(c1)C(C)(C)/C(=C/C=C1/C=CC=C(OC)C1=O)N2C ZINC000137387471 1024993752 /nfs/dbraw/zinc/99/37/52/1024993752.db2.gz YMYIIPAGNGABOF-IXIRNYTISA-N 0 0 337.419 3.902 50 30 EHEARN CCCCc1ccc(C(=O)ONC(=O)c2ccc(OC)cc2)cc1 ZINC000002896509 1026892811 /nfs/dbraw/zinc/89/28/11/1026892811.db2.gz VCUGVBPDYMNXHT-UHFFFAOYSA-N 0 0 327.380 3.540 50 30 EHEARN COc1cc(/C=C2/CCOc3ccccc3C2=O)ccc1OCC#N ZINC000170852138 1033769018 /nfs/dbraw/zinc/76/90/18/1033769018.db2.gz ICDGLZMHMWPRIA-QINSGFPZSA-N 0 0 335.359 3.646 50 30 EHEARN CC1=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000936069014 1033812922 /nfs/dbraw/zinc/81/29/22/1033812922.db2.gz STAFOGVMELKGRI-UHFFFAOYSA-N 0 0 345.489 3.886 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(OC)c1)CCO2 ZINC000255206825 1036499198 /nfs/dbraw/zinc/49/91/98/1036499198.db2.gz RSYLWNBSQMNNGB-GXDHUFHOSA-N 0 0 340.375 3.761 50 30 EHEARN O=C(CON=Cc1ccccc1Cl)N1CCCc2ccccc21 ZINC000254372227 1039361603 /nfs/dbraw/zinc/36/16/03/1039361603.db2.gz PQFRXYJRJSXENN-UHFFFAOYSA-N 0 0 328.799 3.670 50 30 EHEARN N#Cc1ccc(Nc2ccc(N3CCc4sccc4C3)nc2)nc1 ZINC000030675228 1039430949 /nfs/dbraw/zinc/43/09/49/1039430949.db2.gz XSYGAYOOMRJBJS-UHFFFAOYSA-N 0 0 333.420 3.716 50 30 EHEARN CCCCOc1ccc(C=NNC(=S)Nc2cccnc2)cc1 ZINC000254570265 1040387960 /nfs/dbraw/zinc/38/79/60/1040387960.db2.gz DHGSPOQFSKZTDN-UHFFFAOYSA-N 0 0 328.441 3.581 50 30 EHEARN C[C@H](NCc1ccc(F)c(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000185410090 1126884397 /nfs/dbraw/zinc/88/43/97/1126884397.db2.gz NEMRMQWWVTZEPU-ZDUSSCGKSA-N 0 0 336.370 3.522 50 30 EHEARN O=C(N=C1N=C2N=CC=CN2Cc2ccccc21)c1ccc(Cl)cc1 ZINC000263626614 1124948595 /nfs/dbraw/zinc/94/85/95/1124948595.db2.gz ONOLVSICWQAGKU-UHFFFAOYSA-N 0 0 348.793 3.697 50 30 EHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nc3sccn23)c1 ZINC000012547436 1130342118 /nfs/dbraw/zinc/34/21/18/1130342118.db2.gz GUECYSRBVONLJF-VOTSOKGWSA-N 0 0 325.393 3.559 50 30 EHEARN C#CCCC1(CCC(=O)N2CCN(C3CC3)c3c(C)cccc32)N=N1 ZINC000952880677 1137483172 /nfs/dbraw/zinc/48/31/72/1137483172.db2.gz HCKJRCWXYXLIHE-UHFFFAOYSA-N 0 0 336.439 3.666 50 30 EHEARN C#CCCC1(CCC(=O)N2CCC(Oc3cccc(F)c3)CC2)N=N1 ZINC000952879519 1137483226 /nfs/dbraw/zinc/48/32/26/1137483226.db2.gz FGMFCQUVJYDWNY-UHFFFAOYSA-N 0 0 343.402 3.551 50 30 EHEARN C#CCCC1(CCC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)N=N1 ZINC000952879514 1137483273 /nfs/dbraw/zinc/48/32/73/1137483273.db2.gz FDDHJKZDBHAOFB-FUHWJXTLSA-N 0 0 343.402 3.518 50 30 EHEARN C#CCCC1(CCC(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)C2)N=N1 ZINC000952881469 1137483536 /nfs/dbraw/zinc/48/35/36/1137483536.db2.gz OKHYZIYVIBMXPM-OAHLLOKOSA-N 0 0 343.402 3.506 50 30 EHEARN N#Cc1cccc([C@H]2CN(Cc3c(Cl)ccnc3Cl)CCO2)c1 ZINC000952995071 1137485741 /nfs/dbraw/zinc/48/57/41/1137485741.db2.gz CCNMQSPPURTKTF-MRXNPFEDSA-N 0 0 348.233 3.834 50 30 EHEARN Cn1c2ccccc2sc1=NN=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000885842761 1138021789 /nfs/dbraw/zinc/02/17/89/1138021789.db2.gz JUFWHDGNWISKDL-BKAGDQQOSA-N 0 0 338.392 3.748 50 30 EHEARN C[C@H](CCc1ccccc1)NC(=O)Cn1cc(C#N)c2ccccc21 ZINC000051319092 214088670 /nfs/dbraw/zinc/08/86/70/214088670.db2.gz HLOAURCLTSKDIJ-MRXNPFEDSA-N 0 0 331.419 3.650 50 30 EHEARN C=C(C)CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(CC)cc2)C1=O ZINC000004724219 210259728 /nfs/dbraw/zinc/25/97/28/210259728.db2.gz ZGHHIYOVUNFTCJ-QFIPXVFZSA-N 0 0 349.430 3.632 50 30 EHEARN CSc1nc(C2CC2)cc(C(=O)N2CCCCCCC2)c1C#N ZINC000053677068 214193721 /nfs/dbraw/zinc/19/37/21/214193721.db2.gz SMDUEEKOVUSMIV-UHFFFAOYSA-N 0 0 329.469 3.959 50 30 EHEARN C=CCSCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000054012134 214210554 /nfs/dbraw/zinc/21/05/54/214210554.db2.gz XSWHGHOHQWOAFI-UHFFFAOYSA-N 0 0 329.469 3.913 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1cc([N+](=O)[O-])c(F)cc1F ZINC000054680827 214251604 /nfs/dbraw/zinc/25/16/04/214251604.db2.gz DPNACTKZDUSYSH-MRXNPFEDSA-N 0 0 345.305 3.626 50 30 EHEARN C=C(C)COc1cccc(C(=O)N(C)[C@H](C)c2c(C)n[nH]c2C)c1 ZINC000055211947 214289293 /nfs/dbraw/zinc/28/92/93/214289293.db2.gz HVLMUERQOLDEDI-OAHLLOKOSA-N 0 0 327.428 3.815 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000004624644 210233139 /nfs/dbraw/zinc/23/31/39/210233139.db2.gz GFPUAXVQDMOWKI-MRXNPFEDSA-N 0 0 331.437 3.525 50 30 EHEARN N#Cc1ccc(Oc2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000100081821 219090449 /nfs/dbraw/zinc/09/04/49/219090449.db2.gz LKAJSEKDBIYPOW-IAGOWNOFSA-N 0 0 344.370 3.806 50 30 EHEARN COc1ccc(NC(=CC(=O)C(=O)OC(C)C)c2ccccc2)cc1 ZINC000100091268 219091128 /nfs/dbraw/zinc/09/11/28/219091128.db2.gz YUUAEOTUZVOVEZ-AQTBWJFISA-N 0 0 339.391 3.669 50 30 biogenic EHEARN CC(C)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 ZINC000004453192 210193703 /nfs/dbraw/zinc/19/37/03/210193703.db2.gz VTPNRPIASACVEC-OAHLLOKOSA-N 0 0 327.405 3.737 50 30 EHEARN CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000004436137 210192051 /nfs/dbraw/zinc/19/20/51/210192051.db2.gz IXEYYJISUBNPAI-OAHLLOKOSA-N 0 0 344.415 3.551 50 30 EHEARN Cc1nc2ccccc2c(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)n1 ZINC000004240399 210149366 /nfs/dbraw/zinc/14/93/66/210149366.db2.gz DNAKWANPSIXAGA-GFCCVEGCSA-N 0 0 348.431 3.929 50 30 EHEARN CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000065435221 214909045 /nfs/dbraw/zinc/90/90/45/214909045.db2.gz ZWJSTSRQKYXWNS-HXUWFJFHSA-N 0 0 348.446 3.571 50 30 EHEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 ZINC000004172238 210137678 /nfs/dbraw/zinc/13/76/78/210137678.db2.gz BJFGNIHQISGXLE-FQEVSTJZSA-N 0 0 333.391 3.608 50 30 EHEARN CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000003935270 210093825 /nfs/dbraw/zinc/09/38/25/210093825.db2.gz LRXSFNGKRCOHRS-VMRCMBGLSA-N 0 0 344.451 3.978 50 30 EHEARN COc1cc(/C=C2\c3cc(Cl)ccc3NC2=O)ccc1OCC#N ZINC000003570235 210057534 /nfs/dbraw/zinc/05/75/34/210057534.db2.gz QEBUMTKRNMBOIA-RIYZIHGNSA-N 0 0 340.766 3.744 50 30 EHEARN N#Cc1ccc(CSc2nnc(NC(=O)C3CCCC3)s2)cc1 ZINC000003430715 210037884 /nfs/dbraw/zinc/03/78/84/210037884.db2.gz CRSBIGCLFCYMER-UHFFFAOYSA-N 0 0 344.465 3.831 50 30 EHEARN CSc1cc(C(=O)COc2ccc(C#N)cc2)ccc1NC(C)=O ZINC000043242103 213569515 /nfs/dbraw/zinc/56/95/15/213569515.db2.gz KERYCIVXIOFNKY-UHFFFAOYSA-N 0 0 340.404 3.500 50 30 EHEARN COc1ccc(OC)c(-c2cc(-c3ccsc3)nc(N)c2C#N)c1 ZINC000067643192 215172657 /nfs/dbraw/zinc/17/26/57/215172657.db2.gz AUJKLVNBGXVQQW-UHFFFAOYSA-N 0 0 337.404 3.948 50 30 EHEARN Cc1ccc(-c2cc(-c3ccccc3OCCO)c(C#N)c(N)n2)cc1 ZINC000067673098 215177249 /nfs/dbraw/zinc/17/72/49/215177249.db2.gz YQTLVDPWPMIPOO-UHFFFAOYSA-N 0 0 345.402 3.549 50 30 EHEARN COc1ccc(-c2nc(COc3cccnc3C#N)c(C)o2)c(F)c1 ZINC000067714519 215191963 /nfs/dbraw/zinc/19/19/63/215191963.db2.gz JTXSBKYEKTTWQG-UHFFFAOYSA-N 0 0 339.326 3.643 50 30 EHEARN N#CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000002621269 209874373 /nfs/dbraw/zinc/87/43/73/209874373.db2.gz SPKUCVJINGUERH-UHFFFAOYSA-N 0 0 330.800 3.855 50 30 EHEARN CCOc1ccc(C(=O)Nc2sc(CC)cc2C#N)cc1[N+](=O)[O-] ZINC000040556151 213350836 /nfs/dbraw/zinc/35/08/36/213350836.db2.gz RWEFIHAHBRASBG-UHFFFAOYSA-N 0 0 345.380 3.741 50 30 EHEARN Fc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000001299257 209724548 /nfs/dbraw/zinc/72/45/48/209724548.db2.gz FYDFJNVGYIDLCE-GIJQJNRQSA-N 0 0 332.791 3.909 50 30 EHEARN COc1ccc(Br)cc1/C=N/OC(=O)c1ccccc1 ZINC000000439460 209600072 /nfs/dbraw/zinc/60/00/72/209600072.db2.gz PDMBGQGULMMCPV-LICLKQGHSA-N 0 0 334.169 3.649 50 30 EHEARN Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000358285 209548306 /nfs/dbraw/zinc/54/83/06/209548306.db2.gz WRXWDDJYKGNUCT-XMHGGMMESA-N 0 0 328.437 3.530 50 30 EHEARN O=C1CCCC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000000066984 209398338 /nfs/dbraw/zinc/39/83/38/209398338.db2.gz WRDNTZOCAOVAOF-CQSZACIVSA-N 0 0 335.194 3.607 50 30 EHEARN N#Cc1c2c(sc1NC(=O)CSc1ccccn1)CCCC2 ZINC000000051637 209390023 /nfs/dbraw/zinc/39/00/23/209390023.db2.gz IXOZJVPCVJWUBX-UHFFFAOYSA-N 0 0 329.450 3.624 50 30 EHEARN CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cc(F)cc(C#N)c1 ZINC000072429013 216221199 /nfs/dbraw/zinc/22/11/99/216221199.db2.gz TXGIPQNBCRKXRT-UHFFFAOYSA-N 0 0 335.338 3.625 50 30 EHEARN COC(=O)c1cccc(/N=C/c2cc(Br)ccc2O)c1 ZINC000022728578 212319572 /nfs/dbraw/zinc/31/95/72/212319572.db2.gz OVPIMCIIOHBDTA-RQZCQDPDSA-N 0 0 334.169 3.692 50 30 EHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1C)CC(=O)N2 ZINC000021784204 212249386 /nfs/dbraw/zinc/24/93/86/212249386.db2.gz UJUBFMOEZVPVEZ-CYBMUJFWSA-N 0 0 341.436 3.551 50 30 EHEARN N#Cc1cccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)c1 ZINC000049586909 214021745 /nfs/dbraw/zinc/02/17/45/214021745.db2.gz LHSVMBMVCHSGBV-UHFFFAOYSA-N 0 0 325.375 3.656 50 30 EHEARN CCn1nc(C)c(NC(=O)Nc2cc(C#N)ccc2OC(C)C)c1C ZINC000078936778 217151250 /nfs/dbraw/zinc/15/12/50/217151250.db2.gz FUJYNFAILDDOKB-UHFFFAOYSA-N 0 0 341.415 3.823 50 30 EHEARN N#Cc1ccc([C@@H](Sc2ccccc2Br)C(N)=O)cc1 ZINC000079358858 217215055 /nfs/dbraw/zinc/21/50/55/217215055.db2.gz DTCFNYAFZMJITK-CQSZACIVSA-N 0 0 347.237 3.639 50 30 EHEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccccn1 ZINC000014587028 211745910 /nfs/dbraw/zinc/74/59/10/211745910.db2.gz YCTJNMIIEADBOE-JZJYNLBNSA-N 0 0 325.437 3.605 50 30 EHEARN O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000085474054 217673650 /nfs/dbraw/zinc/67/36/50/217673650.db2.gz ZSNZPJAHQLLWJQ-UHFFFAOYSA-N 0 0 339.338 3.579 50 30 EHEARN CCOc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 ZINC000013635398 211595609 /nfs/dbraw/zinc/59/56/09/211595609.db2.gz NNOCSHHVOSQQFI-UHFFFAOYSA-N 0 0 330.409 3.712 50 30 EHEARN CC[C@H](C)/N=C/c1c(=O)n2cccc(C)c2nc1Nc1ccccc1 ZINC000013136732 211527976 /nfs/dbraw/zinc/52/79/76/211527976.db2.gz LGBHTVHMCNLCHI-PCXKXAPESA-N 0 0 334.423 3.964 50 30 EHEARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1sccc1C#N ZINC000012799543 211460071 /nfs/dbraw/zinc/46/00/71/211460071.db2.gz VTLXVANRXHZWFA-INIZCTEOSA-N 0 0 337.404 3.522 50 30 EHEARN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000012735787 211441792 /nfs/dbraw/zinc/44/17/92/211441792.db2.gz CVYXRPRMYATCRS-UHFFFAOYSA-N 0 0 338.436 3.681 50 30 EHEARN O=S(=O)(N=C(Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000012523964 211397436 /nfs/dbraw/zinc/39/74/36/211397436.db2.gz XTPOXAFUNCGPJG-UHFFFAOYSA-N 0 0 336.416 3.934 50 30 EHEARN O=C1c2ccc3c(c2O/C1=C\c1cccc(F)c1)CN(C1CC1)CO3 ZINC000012442506 211383116 /nfs/dbraw/zinc/38/31/16/211383116.db2.gz GRBQFDKYGCQHRQ-NVMNQCDNSA-N 0 0 337.350 3.756 50 30 EHEARN CN(C)c1ccc(/C=C2\C(=O)ON=C2c2cccs2)c(Cl)c1 ZINC000012368073 211357142 /nfs/dbraw/zinc/35/71/42/211357142.db2.gz DTCSOTMHZGYCRV-WQLSENKSSA-N 0 0 332.812 3.812 50 30 EHEARN C=CCCC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012297327 211335424 /nfs/dbraw/zinc/33/54/24/211335424.db2.gz TVXUOCHQGPYSLX-MRXNPFEDSA-N 0 0 331.366 3.610 50 30 EHEARN O=C1N/C(=N\c2ccc(O)cc2)S[C@@H]1Cc1ccccc1Cl ZINC000011692762 211235262 /nfs/dbraw/zinc/23/52/62/211235262.db2.gz HBWXEPZTARILRO-CQSZACIVSA-N 0 0 332.812 3.507 50 30 EHEARN Cc1ccc(-c2cc(C(=O)OCC#N)c3cnn(C(C)C)c3n2)s1 ZINC000011259728 211210440 /nfs/dbraw/zinc/21/04/40/211210440.db2.gz OEWBQGDFMDZWAL-UHFFFAOYSA-N 0 0 340.408 3.730 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000010646103 211184027 /nfs/dbraw/zinc/18/40/27/211184027.db2.gz IUOKJNROJISWRO-BMIGLBTASA-N 0 0 329.227 3.815 50 30 in-vitro EHEARN N#Cc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000010449333 211173874 /nfs/dbraw/zinc/17/38/74/211173874.db2.gz PEKCHHYGKATYMP-UHFFFAOYSA-N 0 0 334.404 3.648 50 30 EHEARN CC[C@@H](SCc1cc(C#N)ccc1F)C(=O)Nc1cc(C)on1 ZINC000009690713 211115418 /nfs/dbraw/zinc/11/54/18/211115418.db2.gz JGHQOTZRMFYWIG-CQSZACIVSA-N 0 0 333.388 3.644 50 30 EHEARN OCC/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000009644257 211111358 /nfs/dbraw/zinc/11/13/58/211111358.db2.gz DQEDHBKCXUFFAL-NDENLUEZSA-N 0 0 325.799 3.604 50 30 EHEARN C=CCSc1nnc(NC(=O)c2ccccc2OC(F)F)s1 ZINC000009494299 211092316 /nfs/dbraw/zinc/09/23/16/211092316.db2.gz RAHAJLNOUZEJGS-UHFFFAOYSA-N 0 0 343.380 3.670 50 30 EHEARN N#Cc1ccc(/C=C/C(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000009364567 211072931 /nfs/dbraw/zinc/07/29/31/211072931.db2.gz FCLJPMCQQYARHX-BQYQJAHWSA-N 0 0 334.404 3.516 50 30 EHEARN C=CCN1c2ccc(NC(=O)C3CCCC3)cc2OCC(C)(C)C1=O ZINC000008958742 211023093 /nfs/dbraw/zinc/02/30/93/211023093.db2.gz ULWRTCWMWMVJCU-UHFFFAOYSA-N 0 0 342.439 3.753 50 30 EHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccccn3)sc2C1 ZINC000008729255 210993449 /nfs/dbraw/zinc/99/34/49/210993449.db2.gz BNOWQIUYTNXNOR-NSHDSACASA-N 0 0 343.477 3.870 50 30 EHEARN COc1ccc(Br)c(CC(=O)Nc2ccccc2C#N)c1 ZINC000095427780 218369729 /nfs/dbraw/zinc/36/97/29/218369729.db2.gz INCALXPWFKETLF-UHFFFAOYSA-N 0 0 345.196 3.511 50 30 EHEARN N#Cc1cccc(COC(=O)c2cc(Br)ccc2F)c1 ZINC000007690438 210832903 /nfs/dbraw/zinc/83/29/03/210832903.db2.gz GXOFILMDNCNXRH-UHFFFAOYSA-N 0 0 334.144 3.817 50 30 EHEARN COc1cccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)c1 ZINC000006768471 210706555 /nfs/dbraw/zinc/70/65/55/210706555.db2.gz IOXLOCVEALNTRN-UHFFFAOYSA-N 0 0 335.411 3.954 50 30 EHEARN C#CCOc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000096434761 218812221 /nfs/dbraw/zinc/81/22/21/218812221.db2.gz HLTBNKAQXIRZDI-UHFFFAOYSA-N 0 0 326.318 3.505 50 30 EHEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccccc1 ZINC000005660662 210511184 /nfs/dbraw/zinc/51/11/84/210511184.db2.gz CFYNWQAWYIMMIY-UHFFFAOYSA-N 0 0 333.416 3.527 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F ZINC000005129166 210397124 /nfs/dbraw/zinc/39/71/24/210397124.db2.gz ZXKGIXUHYXHXBA-GORDUTHDSA-N 0 0 348.301 3.921 50 30 EHEARN CC[C@@H](CC#N)NC(=O)Nc1cnn(-c2cccc(Cl)c2)c1C ZINC000097163341 218979627 /nfs/dbraw/zinc/97/96/27/218979627.db2.gz OBKSZKOPWDHWMT-ZDUSSCGKSA-N 0 0 331.807 3.648 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCc2ccccc21 ZINC000097164552 218981185 /nfs/dbraw/zinc/98/11/85/218981185.db2.gz BVSSWXHJITUUEH-MRXNPFEDSA-N 0 0 336.395 3.573 50 30 EHEARN C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000004873171 210310660 /nfs/dbraw/zinc/31/06/60/210310660.db2.gz VBTDSGNMPOMZKR-UHFFFAOYSA-N 0 0 325.364 3.680 50 30 EHEARN CCCN(CC(=O)Nc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000097357105 219013672 /nfs/dbraw/zinc/01/36/72/219013672.db2.gz VWPMMXDJXLANCL-UHFFFAOYSA-N 0 0 325.387 3.548 50 30 EHEARN COc1ccc(C(C)N=Nc2nc3ccccc3nc2C)cc1OC ZINC000004764443 210274168 /nfs/dbraw/zinc/27/41/68/210274168.db2.gz REGCEEMYKZEAEG-WSDLNYQXSA-N 0 0 336.395 3.792 50 30 EHEARN N#Cc1cc2c(nc1SCc1cc3ccccc3c(=O)[nH]1)CCCC2 ZINC000154355083 224242430 /nfs/dbraw/zinc/24/24/30/224242430.db2.gz JRIBXGFAUYERLL-UHFFFAOYSA-N 0 0 347.443 3.966 50 30 EHEARN Cc1csc(C2(NC(=O)c3cccc(CC#N)c3)CCCC2)n1 ZINC000079033817 257834911 /nfs/dbraw/zinc/83/49/11/257834911.db2.gz UGQHGSDLLOVDCT-UHFFFAOYSA-N 0 0 325.437 3.717 50 30 EHEARN C=CC(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000328600176 258041865 /nfs/dbraw/zinc/04/18/65/258041865.db2.gz WKAGGYGBAOMRRI-UHFFFAOYSA-N 0 0 338.407 3.698 50 30 EHEARN O=C(Nc1c[nH]nc1-c1nccs1)N1CCC[C@@H]1c1cccs1 ZINC000328600511 258042085 /nfs/dbraw/zinc/04/20/85/258042085.db2.gz YCCOBMPRBHNGFI-LLVKDONJSA-N 0 0 345.453 3.977 50 30 EHEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cccnc1 ZINC000006699522 258044564 /nfs/dbraw/zinc/04/45/64/258044564.db2.gz AHWAOWLNHISUBY-UHFFFAOYSA-N 0 0 326.400 3.958 50 30 EHEARN CCOC(=O)Cc1cccc(NC(=O)[C@@H](C)c2ccccc2)c1O ZINC000330033216 258002345 /nfs/dbraw/zinc/00/23/45/258002345.db2.gz XLKSANKQGDGJLJ-ZDUSSCGKSA-N 0 0 327.380 3.890 50 30 EHEARN C=CCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O ZINC000002399826 258017145 /nfs/dbraw/zinc/01/71/45/258017145.db2.gz YQBKFFOEYMUKRV-LGMDPLHJSA-N 0 0 342.464 3.954 50 30 EHEARN C=CCN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1C ZINC000012534297 258017313 /nfs/dbraw/zinc/01/73/13/258017313.db2.gz FHZWWCVGBOTBTH-IBGZPJMESA-N 0 0 349.434 3.645 50 30 EHEARN Cc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2cccnc2)c(C)c1 ZINC000003352657 258050614 /nfs/dbraw/zinc/05/06/14/258050614.db2.gz OLRAEIFHGJZZCN-AWEZNQCLSA-N 0 0 335.436 3.950 50 30 EHEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007977313 258053405 /nfs/dbraw/zinc/05/34/05/258053405.db2.gz TZPVTAKUAOUMJL-NSHDSACASA-N 0 0 334.297 3.983 50 30 EHEARN FC(F)(F)C(F)(F)[C@](F)(I)C(F)(F)F ZINC000095682067 258067304 /nfs/dbraw/zinc/06/73/04/258067304.db2.gz FBJVLVWUMYWJMY-REOHCLBHSA-N 0 0 345.930 3.847 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257346273 258073702 /nfs/dbraw/zinc/07/37/02/258073702.db2.gz XDMKIFRLARGPLV-TYFUIONLSA-N 0 0 328.452 3.903 50 30 EHEARN Brc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1 ZINC000000046640 518217976 /nfs/dbraw/zinc/21/79/76/518217976.db2.gz OFRHESBLIQXAEN-XMHGGMMESA-N 0 0 344.256 3.605 50 30 EHEARN C=C(Cl)CN(C(=O)CCc1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000069509492 518649096 /nfs/dbraw/zinc/64/90/96/518649096.db2.gz MNESJDJLZDVQTF-SFHVURJKSA-N 0 0 343.858 3.621 50 30 EHEARN C=CCNc1nnc(SCC(=O)c2cc(C)n(CC)c2C)s1 ZINC000005782624 518966581 /nfs/dbraw/zinc/96/65/81/518966581.db2.gz BCBVRPJHXWSBKN-UHFFFAOYSA-N 0 0 336.486 3.549 50 30 EHEARN CC#CC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011817246 519330270 /nfs/dbraw/zinc/33/02/70/519330270.db2.gz ARTWVWUGPYGYIH-SFHVURJKSA-N 0 0 347.414 3.924 50 30 EHEARN CCN(C[C@@H](C)C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000058268041 521187023 /nfs/dbraw/zinc/18/70/23/521187023.db2.gz OJEQYHWPDKQOKO-ZDUSSCGKSA-N 0 0 345.830 3.936 50 30 EHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(C)c1C ZINC000103504713 521546403 /nfs/dbraw/zinc/54/64/03/521546403.db2.gz LKVHIHLOWYXIKC-MRXNPFEDSA-N 0 0 336.391 3.663 50 30 EHEARN C[C@H](SCc1ccccc1)C(=O)NCC#Cc1cccc(F)c1 ZINC000225765444 525979564 /nfs/dbraw/zinc/97/95/64/525979564.db2.gz VVDIBPYQOCLVIP-HNNXBMFYSA-N 0 0 327.424 3.615 50 30 EHEARN Cc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc(C)c1O ZINC000058232493 526082837 /nfs/dbraw/zinc/08/28/37/526082837.db2.gz PKARWYUXWTUHAC-VOTSOKGWSA-N 0 0 337.375 3.862 50 30 EHEARN C[C@H]1CC(C)(C)N(CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc21 ZINC000240444258 526223938 /nfs/dbraw/zinc/22/39/38/526223938.db2.gz FWZBOWRKSIILRH-VBKZILBWSA-N 0 0 325.456 3.587 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000069485600 526458005 /nfs/dbraw/zinc/45/80/05/526458005.db2.gz PODGTPHJSSCKMC-UHFFFAOYSA-N 0 0 336.313 3.783 50 30 EHEARN N#CCSc1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000004272477 526478615 /nfs/dbraw/zinc/47/86/15/526478615.db2.gz LAWOJYYZDCMECA-UHFFFAOYSA-N 0 0 327.453 3.660 50 30 EHEARN Clc1cccc(C=NN2CCN(c3ccccn3)CC2)c1Cl ZINC000244626667 526974945 /nfs/dbraw/zinc/97/49/45/526974945.db2.gz FQGBDHUHGCHKMN-UHFFFAOYSA-N 0 0 335.238 3.545 50 30 EHEARN Cc1nc([C@@H]2CCCN(C(=O)c3cccc(CC#N)c3)C2)sc1C ZINC000072297368 527045210 /nfs/dbraw/zinc/04/52/10/527045210.db2.gz BGRPFQWYBGRCPC-QGZVFWFLSA-N 0 0 339.464 3.846 50 30 EHEARN C=CCCO[C@@H](C)C(=O)OC1(c2ccccc2Br)CC1 ZINC000089598273 564112645 /nfs/dbraw/zinc/11/26/45/564112645.db2.gz COVLRYNWEKJOMS-LBPRGKRZSA-N 0 0 339.229 3.963 50 30 EHEARN O=c1c2c3c(sc2ncn1/N=C/c1ccccc1Cl)CCCC3 ZINC000000125687 563236579 /nfs/dbraw/zinc/23/65/79/563236579.db2.gz KAAVXHGLNFOMIU-AWQFTUOYSA-N 0 0 343.839 3.872 50 30 EHEARN O=C1C[C@@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000613288 563356047 /nfs/dbraw/zinc/35/60/47/563356047.db2.gz CZGUILBJJRAIJG-AAEUAGOBSA-N 0 0 341.407 3.892 50 30 EHEARN Cc1cccc(/N=C2/NC(=O)/C(=C3\c4ccccc4NC3=O)S2)c1C ZINC000000968836 563366718 /nfs/dbraw/zinc/36/67/18/563366718.db2.gz MNHUQNMQMMLMNL-NXVVXOECSA-N 0 0 349.415 3.517 50 30 EHEARN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3O)NC2=O)cc1 ZINC000005652232 563544087 /nfs/dbraw/zinc/54/40/87/563544087.db2.gz BYWAMBNNRJMQCX-WJDWOHSUSA-N 0 0 340.404 3.683 50 30 EHEARN C[S@](=O)Cc1cc(NCCOc2ccc(C#N)cc2)ccc1Cl ZINC000071913952 563601589 /nfs/dbraw/zinc/60/15/89/563601589.db2.gz MWCBQUOZWLHBSG-HSZRJFAPSA-N 0 0 348.855 3.581 50 30 EHEARN C#CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1cccs1 ZINC000002715507 563607095 /nfs/dbraw/zinc/60/70/95/563607095.db2.gz IZHRWUGDZYWBNQ-ZCXUNETKSA-N 0 0 342.445 3.537 50 30 EHEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccn1 ZINC000008438737 563630000 /nfs/dbraw/zinc/63/00/00/563630000.db2.gz MKKVLRMRVGNZMV-KRWDZBQOSA-N 0 0 330.428 3.727 50 30 EHEARN CC(C)c1nc(C#N)c(NCCc2nc(-c3ccc(F)cc3)no2)o1 ZINC000032624492 563669442 /nfs/dbraw/zinc/66/94/42/563669442.db2.gz HQIIXYJQVNEYRR-UHFFFAOYSA-N 0 0 341.346 3.513 50 30 EHEARN CC(C)Cn1c(SCCC#N)nc2sc3c(c2c1=O)CCC3 ZINC000014118413 563742433 /nfs/dbraw/zinc/74/24/33/563742433.db2.gz LGAWYKOYHZKNMW-UHFFFAOYSA-N 0 0 333.482 3.608 50 30 EHEARN CS(=O)(=O)/C(=C\c1ccccc1Cl)C(=O)c1ccccc1F ZINC000069974744 563892517 /nfs/dbraw/zinc/89/25/17/563892517.db2.gz AQRMRMWMEDMNKZ-GDNBJRDFSA-N 0 0 338.787 3.748 50 30 EHEARN C=CCO[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000072288542 563908404 /nfs/dbraw/zinc/90/84/04/563908404.db2.gz LCIREXGLPMJFHR-QAPCUYQASA-N 0 0 339.439 3.640 50 30 EHEARN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C#N)c1ccsc1 ZINC000071847768 563926505 /nfs/dbraw/zinc/92/65/05/563926505.db2.gz BKFFZNKGWMKGLF-AWEZNQCLSA-N 0 0 343.433 3.697 50 30 EHEARN N#C[C@H](C(=O)Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000058174496 563938966 /nfs/dbraw/zinc/93/89/66/563938966.db2.gz FCNJSZRZHAEMJK-CYBMUJFWSA-N 0 0 325.318 3.850 50 30 EHEARN N#CC1(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CCCC1 ZINC000058309037 563942177 /nfs/dbraw/zinc/94/21/77/563942177.db2.gz RCQHUUDVONQRAT-UHFFFAOYSA-N 0 0 333.391 3.961 50 30 EHEARN N#Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1 ZINC000033072312 563963368 /nfs/dbraw/zinc/96/33/68/563963368.db2.gz LBEWPXGUWDPCBF-LJQANCHMSA-N 0 0 326.359 3.724 50 30 EHEARN CCCNc1cccc(F)c1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000097047763 563971666 /nfs/dbraw/zinc/97/16/66/563971666.db2.gz RYZUTQOAOCSGKY-UHFFFAOYSA-N 0 0 347.415 3.514 50 30 EHEARN Cc1nc(-c2c(C#N)c(N)nc3c2C[C@@H](c2ccccc2)CC3)c[nH]1 ZINC000071750256 563982996 /nfs/dbraw/zinc/98/29/96/563982996.db2.gz IDDRMGGOBBZRNT-AWEZNQCLSA-N 0 0 329.407 3.507 50 30 EHEARN COc1ccc(OC)c(-c2c3c(nc(N)c2C#N)[C@H](C)SC3)c1 ZINC000071749909 563983009 /nfs/dbraw/zinc/98/30/09/563983009.db2.gz NAMXVDYXJTWTEU-VIFPVBQESA-N 0 0 327.409 3.527 50 30 EHEARN COc1ccc(O)cc1-c1c(C)c(-c2ccc(O)cc2)nc(N)c1C#N ZINC000071760022 563983029 /nfs/dbraw/zinc/98/30/29/563983029.db2.gz WHRZAGVTQJPJNS-UHFFFAOYSA-N 0 0 347.374 3.598 50 30 EHEARN Cc1nnc(SCC(=O)c2ccc(C#N)cc2)n1C1CCCCC1 ZINC000014142302 563983289 /nfs/dbraw/zinc/98/32/89/563983289.db2.gz STABIQQZODURCY-UHFFFAOYSA-N 0 0 340.452 3.938 50 30 EHEARN N#Cc1ccccc1OCC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000014170337 563983375 /nfs/dbraw/zinc/98/33/75/563983375.db2.gz KEZDNUYFDPFBIS-UHFFFAOYSA-N 0 0 349.415 3.623 50 30 EHEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c(C)c1 ZINC000000132186 563986972 /nfs/dbraw/zinc/98/69/72/563986972.db2.gz ACTCDVTWICJXDH-UHFFFAOYSA-N 0 0 335.432 3.630 50 30 EHEARN N#Cc1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCCC2 ZINC000000324655 563991221 /nfs/dbraw/zinc/99/12/21/563991221.db2.gz SLTYOQVWFQDKQY-UHFFFAOYSA-N 0 0 345.449 3.608 50 30 EHEARN N#Cc1cc(N2CCC[C@@H]2c2ccc(Br)c(F)c2)ncn1 ZINC000408515480 563992998 /nfs/dbraw/zinc/99/29/98/563992998.db2.gz NCOWFDPLQKFCKD-CQSZACIVSA-N 0 0 347.191 3.591 50 30 EHEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000252491326 563997785 /nfs/dbraw/zinc/99/77/85/563997785.db2.gz LMIPLPGKECCNOY-CMPLNLGQSA-N 0 0 326.227 3.556 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(C)cccc2C)n1 ZINC000000422654 563998542 /nfs/dbraw/zinc/99/85/42/563998542.db2.gz NTZGDXPUHQAYHD-UHFFFAOYSA-N 0 0 325.437 3.918 50 30 EHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(OC)cc1 ZINC000000428084 563998868 /nfs/dbraw/zinc/99/88/68/563998868.db2.gz UWDXAOVMLGESTC-APWZRJJASA-N 0 0 340.375 3.608 50 30 EHEARN C#CCOc1ccccc1NC(=O)N1CCC[C@@H](OCCC)CC1 ZINC000188082340 564001848 /nfs/dbraw/zinc/00/18/48/564001848.db2.gz XFTYONKNSDOMFK-MRXNPFEDSA-N 0 0 330.428 3.512 50 30 EHEARN CCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000005451637 564004183 /nfs/dbraw/zinc/00/41/83/564004183.db2.gz KIWHODPPXRLDJX-OAHLLOKOSA-N 0 0 346.390 3.583 50 30 EHEARN C[C@H]1CCc2c(sc3ncn(Cc4ccccc4C#N)c(=O)c32)C1 ZINC000005556147 564005315 /nfs/dbraw/zinc/00/53/15/564005315.db2.gz SOOQMMDGMXVEJP-LBPRGKRZSA-N 0 0 335.432 3.503 50 30 EHEARN CCOc1ccc(N(CCC#N)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005652803 564007084 /nfs/dbraw/zinc/00/70/84/564007084.db2.gz DYRCRYPPQQFZCV-UHFFFAOYSA-N 0 0 344.436 3.503 50 30 EHEARN N#Cc1ccc(N2CCSC3(CCOCC3)C2)cc1C(F)(F)F ZINC000274533153 564008264 /nfs/dbraw/zinc/00/82/64/564008264.db2.gz ZCFKTPXUGVKZPS-UHFFFAOYSA-N 0 0 342.386 3.679 50 30 EHEARN N#Cc1c(CSc2nc(-c3ccccc3)cn2N)cn2ccccc12 ZINC000014728604 564014417 /nfs/dbraw/zinc/01/44/17/564014417.db2.gz LEZDKBGSOADTQQ-UHFFFAOYSA-N 0 0 345.431 3.681 50 30 EHEARN Cc1cccc(C(=O)OC/C(=N\O)c2ccc(Br)cc2)c1 ZINC000102519894 564020247 /nfs/dbraw/zinc/02/02/47/564020247.db2.gz AEEMUJCZQMLMTF-OBGWFSINSA-N 0 0 348.196 3.793 50 30 EHEARN C=CCn1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 ZINC000000522066 564021100 /nfs/dbraw/zinc/02/11/00/564021100.db2.gz JKLQUFSHRNQJKF-UHFFFAOYSA-N 0 0 338.411 3.556 50 30 EHEARN COc1cccc2c1OC1=C(C(=O)CCC1)[C@@H]2C1C(=O)CCCC1=O ZINC000000562728 564023301 /nfs/dbraw/zinc/02/33/01/564023301.db2.gz UDBRAUNEQDDRDT-KRWDZBQOSA-N 0 0 340.375 3.743 50 30 EHEARN O=c1[nH]c2ccccc2cc1C=NCCCN1CCc2ccccc21 ZINC000104560365 564023912 /nfs/dbraw/zinc/02/39/12/564023912.db2.gz AZBNIMZRKSZONB-JCMHNJIXSA-N 0 0 331.419 3.812 50 30 EHEARN Cc1nc(C=CC(=O)[C@H](C#N)c2nc3ccccc3s2)cs1 ZINC000048822669 564032289 /nfs/dbraw/zinc/03/22/89/564032289.db2.gz FJFZZJWSMBEWOP-SYTKJHMZSA-N 0 0 325.418 3.951 50 30 EHEARN C=CCSCC(=O)Nc1nnc(SCc2cccs2)s1 ZINC000049041832 564032455 /nfs/dbraw/zinc/03/24/55/564032455.db2.gz IGBQTFTXUDVKGT-UHFFFAOYSA-N 0 0 343.524 3.750 50 30 EHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)NC(=O)N1 ZINC000005833164 564056563 /nfs/dbraw/zinc/05/65/63/564056563.db2.gz QUIUQXUXUNHFPU-INIZCTEOSA-N 0 0 344.773 3.990 50 30 EHEARN C=CCN(Cc1cccc(OCC)c1)C(=O)Cc1ccccc1O ZINC000065492940 564066827 /nfs/dbraw/zinc/06/68/27/564066827.db2.gz BFRPQTDFBZKQFN-UHFFFAOYSA-N 0 0 325.408 3.548 50 30 EHEARN N#CCc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000012759278 564067302 /nfs/dbraw/zinc/06/73/02/564067302.db2.gz RIYPUFLQOJQRSK-UHFFFAOYSA-N 0 0 332.403 3.843 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000012778117 564069696 /nfs/dbraw/zinc/06/96/96/564069696.db2.gz SJAWZDKKDAWFQD-UHFFFAOYSA-N 0 0 331.331 3.656 50 30 EHEARN C=C(C)C(=O)Nc1cccc(C(=O)c2cccc(NC(=O)C(=C)C)c2)c1 ZINC000000449280 564074561 /nfs/dbraw/zinc/07/45/61/564074561.db2.gz MSCNSERBEHEQGD-UHFFFAOYSA-N 0 0 348.402 3.947 50 30 EHEARN Fc1cccc(Cl)c1C=NN1CCN(Cc2ccccc2)CC1 ZINC000244875007 564075058 /nfs/dbraw/zinc/07/50/58/564075058.db2.gz XKYIQJRBGVWJGF-UHFFFAOYSA-N 0 0 331.822 3.631 50 30 EHEARN COc1cc2c(cc1OC)C(=O)/C(=C\C1=Cc3ccccc3OC1)C2 ZINC000085878521 564075132 /nfs/dbraw/zinc/07/51/32/564075132.db2.gz NGHPXBIVCVVEGH-PXNMLYILSA-N 0 0 334.371 3.845 50 30 biogenic EHEARN C=CCn1c(=O)sc2cc(NC(=O)c3cccc(F)c3)ccc21 ZINC000015865070 564077159 /nfs/dbraw/zinc/07/71/59/564077159.db2.gz MBXWTTPHEACDRL-UHFFFAOYSA-N 0 0 328.368 3.640 50 30 EHEARN COC(=O)c1c(NC(=O)c2cccc(C#N)c2)sc2c1CCCC2 ZINC000012939857 564079451 /nfs/dbraw/zinc/07/94/51/564079451.db2.gz SLZKZBGYOUHKOV-UHFFFAOYSA-N 0 0 340.404 3.537 50 30 EHEARN CCC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1 ZINC000000472661 564082689 /nfs/dbraw/zinc/08/26/89/564082689.db2.gz LHNOSZACJGUTKL-UHFFFAOYSA-N 0 0 343.858 3.982 50 30 EHEARN CC(C)CNC(=O)CSc1nc(C(F)F)cc(C2CC2)c1C#N ZINC000006238885 564083190 /nfs/dbraw/zinc/08/31/90/564083190.db2.gz FEJRTASWBLIANZ-UHFFFAOYSA-N 0 0 339.411 3.633 50 30 EHEARN COc1ccc(OC)c(C=NN2C(=S)N=NC2C2CCCCC2)c1 ZINC000244742226 564088586 /nfs/dbraw/zinc/08/85/86/564088586.db2.gz OEAJWTALMFWMQG-UHFFFAOYSA-N 0 0 346.456 3.514 50 30 EHEARN CCc1cc(C#N)c(NC(=O)c2ccc(-c3nnc(C)o3)cc2)s1 ZINC000089282784 564089153 /nfs/dbraw/zinc/08/91/53/564089153.db2.gz JTVLPIIRSIFKSY-UHFFFAOYSA-N 0 0 338.392 3.793 50 30 EHEARN N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000006509999 564091269 /nfs/dbraw/zinc/09/12/69/564091269.db2.gz DXJIJYRGBHICAA-UHFFFAOYSA-N 0 0 327.192 3.666 50 30 EHEARN C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1cccc(C#N)c1 ZINC000006589111 564092324 /nfs/dbraw/zinc/09/23/24/564092324.db2.gz VQUVCVKDQGKNJZ-LBPRGKRZSA-N 0 0 336.420 3.564 50 30 EHEARN N#Cc1cccc(CN2CCCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286270 564104382 /nfs/dbraw/zinc/10/43/82/564104382.db2.gz BAYJPNITAGTAPB-SFHVURJKSA-N 0 0 345.406 3.730 50 30 EHEARN COc1ccc(-c2nc(Cn3nc(C#N)c4ccccc43)co2)cc1 ZINC000170594231 564109015 /nfs/dbraw/zinc/10/90/15/564109015.db2.gz OPBIUHGBCSNGER-UHFFFAOYSA-N 0 0 330.347 3.620 50 30 EHEARN C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000042626303 564111057 /nfs/dbraw/zinc/11/10/57/564111057.db2.gz AIHFHVBCMVKOHH-UHFFFAOYSA-N 0 0 346.337 3.916 50 30 EHEARN COc1ccc2c(c1)ncc(C#N)c2NCc1ccc(OC)c(OC)c1 ZINC000016841771 564113807 /nfs/dbraw/zinc/11/38/07/564113807.db2.gz TXVDJAMMKBPRNJ-UHFFFAOYSA-N 0 0 349.390 3.744 50 30 EHEARN CC(=NOCC(=O)N1CCCC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000252474286 564118902 /nfs/dbraw/zinc/11/89/02/564118902.db2.gz AFRCWKYPFKHQME-UHFFFAOYSA-N 0 0 346.427 3.917 50 30 EHEARN CC(C)(C)n1ncnc1CNc1ccccc1Oc1ncccc1C#N ZINC000240894750 564121782 /nfs/dbraw/zinc/12/17/82/564121782.db2.gz IPNDHXVKFNHGTM-UHFFFAOYSA-N 0 0 348.410 3.704 50 30 EHEARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C#N)cc3)s2)cs1 ZINC000007820612 564124038 /nfs/dbraw/zinc/12/40/38/564124038.db2.gz CDZYVJZATJJRKL-UHFFFAOYSA-N 0 0 339.445 3.982 50 30 EHEARN COc1ccc(CN=Nc2ncc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000252633484 564124302 /nfs/dbraw/zinc/12/43/02/564124302.db2.gz WDRJYFNMFAFTKY-UHFFFAOYSA-N 0 0 349.350 3.506 50 30 EHEARN CN(CCC#N)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007886349 564124424 /nfs/dbraw/zinc/12/44/24/564124424.db2.gz YOIUVZZZVVDZJP-HXUWFJFHSA-N 0 0 346.434 3.765 50 30 EHEARN C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000071769803 564129452 /nfs/dbraw/zinc/12/94/52/564129452.db2.gz YUMWOIMGKYOLOA-ZNRYJCSXSA-N 0 0 334.431 3.540 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3)sc2C1 ZINC000000267205 564133080 /nfs/dbraw/zinc/13/30/80/564133080.db2.gz HUSIVDCYSQVHMI-GFCCVEGCSA-N 0 0 326.421 3.762 50 30 EHEARN COc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000459523 564133258 /nfs/dbraw/zinc/13/32/58/564133258.db2.gz QKQMGUFUAGUFCC-UHFFFAOYSA-N 0 0 342.420 3.525 50 30 EHEARN Cc1cc(C)c(C#N)c(SC[C@H](O)COc2ccc(Cl)cc2)n1 ZINC000000470036 564133278 /nfs/dbraw/zinc/13/32/78/564133278.db2.gz AVSJCGCMGCFAMM-CQSZACIVSA-N 0 0 348.855 3.756 50 30 EHEARN N#Cc1ccc(C(=O)N2CCC[C@@H](COc3ccccc3F)C2)cc1 ZINC000077517665 564134294 /nfs/dbraw/zinc/13/42/94/564134294.db2.gz WNBVHBGMYAWHRX-MRXNPFEDSA-N 0 0 338.382 3.629 50 30 EHEARN CSc1ccc(NC(=O)[C@H](C)Sc2cc(C#N)ccn2)cc1 ZINC000078754831 564134552 /nfs/dbraw/zinc/13/45/52/564134552.db2.gz IISVMLIKPMTTPN-NSHDSACASA-N 0 0 329.450 3.794 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cccs1 ZINC000012981799 564135764 /nfs/dbraw/zinc/13/57/64/564135764.db2.gz HZMQPUAZJMJIHU-NSHDSACASA-N 0 0 325.393 3.803 50 30 EHEARN CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(C#N)nc3)c2)C1 ZINC000534591487 564136043 /nfs/dbraw/zinc/13/60/43/564136043.db2.gz QEIMBFOZEZIDMW-HXUWFJFHSA-N 0 0 349.434 3.651 50 30 EHEARN Cc1nc([C@@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)cs1 ZINC000328587864 564136578 /nfs/dbraw/zinc/13/65/78/564136578.db2.gz CJOWSRKFBMABTH-KRWDZBQOSA-N 0 0 340.452 3.617 50 30 EHEARN N#CCCN(C(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 ZINC000078913059 564137402 /nfs/dbraw/zinc/13/74/02/564137402.db2.gz XPJQQMBSFAKBHE-UHFFFAOYSA-N 0 0 348.381 3.631 50 30 EHEARN CCn1c2ccccc2nc1SCC(=O)N[C@]1(C)CCCOC1 ZINC000329192156 564137856 /nfs/dbraw/zinc/13/78/56/564137856.db2.gz SQYJBTIHULCYGI-QGZVFWFLSA-N 0 0 333.457 3.674 50 30 EHEARN CCOc1ccc(NC(=O)N(C)Cc2cc(C)cc(C)n2)cc1C#N ZINC000096165832 564145817 /nfs/dbraw/zinc/14/58/17/564145817.db2.gz HWZDUNMJZJXZSD-UHFFFAOYSA-N 0 0 338.411 3.633 50 30 EHEARN N#Cc1nccnc1Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000096408692 564147497 /nfs/dbraw/zinc/14/74/97/564147497.db2.gz IBYZQQWPPFRNSE-XMMPIXPASA-N 0 0 340.452 3.673 50 30 EHEARN COC(=O)c1ccc2c(c1)C(C)(C)/C(=C/C=C1/C=CC=CC1=O)N2C ZINC000334158674 564148884 /nfs/dbraw/zinc/14/88/84/564148884.db2.gz CRZMPBDMWJWPBA-PBRRCQSJSA-N 0 0 335.403 3.706 50 30 EHEARN CC(C)N(Cc1cccnc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000058208733 564158059 /nfs/dbraw/zinc/15/80/59/564158059.db2.gz XGDYYXVKMGLLPO-UHFFFAOYSA-N 0 0 339.464 3.624 50 30 EHEARN N#Cc1c2c(sc1NC(=O)CN1CC[C@@H]3CCCC[C@H]3C1)CCC2 ZINC000008132903 564163089 /nfs/dbraw/zinc/16/30/89/564163089.db2.gz PONCICRLDOWJID-KBPBESRZSA-N 0 0 343.496 3.559 50 30 EHEARN COc1ccccc1[C@@H](C#N)NC(=O)CCCc1c[nH]c2ccccc12 ZINC000069325121 564168819 /nfs/dbraw/zinc/16/88/19/564168819.db2.gz RNPHSVJYBUTXAA-LJQANCHMSA-N 0 0 347.418 3.880 50 30 EHEARN N#CC1(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CCCC1 ZINC000069459393 564169731 /nfs/dbraw/zinc/16/97/31/564169731.db2.gz SBEIRHNCLHQGLS-UHFFFAOYSA-N 0 0 339.370 3.713 50 30 EHEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc4nccn4c3)n2)cc1 ZINC000069564767 564170471 /nfs/dbraw/zinc/17/04/71/564170471.db2.gz MFZWHXSDWBBADB-UHFFFAOYSA-N 0 0 345.387 3.582 50 30 EHEARN Cc1ccnn1-c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000069706418 564171716 /nfs/dbraw/zinc/17/17/16/564171716.db2.gz BNTRXSXQPVORNG-UHFFFAOYSA-N 0 0 348.381 3.880 50 30 EHEARN CCO[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069846649 564172502 /nfs/dbraw/zinc/17/25/02/564172502.db2.gz RJPHRNBNGAHWLJ-UWVGGRQHSA-N 0 0 336.363 3.690 50 30 EHEARN N#CC1(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)CCCC1 ZINC000041866981 564174452 /nfs/dbraw/zinc/17/44/52/564174452.db2.gz VMXZWUGADFCZJR-UHFFFAOYSA-N 0 0 338.329 3.948 50 30 EHEARN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C#N)c1ccsc1 ZINC000071847769 564175962 /nfs/dbraw/zinc/17/59/62/564175962.db2.gz BKFFZNKGWMKGLF-CQSZACIVSA-N 0 0 343.433 3.697 50 30 EHEARN CCc1oc(C(=O)[C@H](C#N)C(=O)Nc2cccc(Cl)c2)cc1C ZINC000101652895 568417288 /nfs/dbraw/zinc/41/72/88/568417288.db2.gz QBJBMRFIUBVBNS-ZDUSSCGKSA-N 0 0 330.771 3.765 50 30 EHEARN COc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000206824831 1030697336 /nfs/dbraw/zinc/69/73/36/1030697336.db2.gz VIFRKOWCKUMHOG-WDZFZDKYSA-N 0 0 341.407 3.675 50 30 EHEARN Cc1c(C(=O)/C=C/c2cccc3c2OCCCO3)c(C#N)c2n1CCC2 ZINC000170622058 1041122101 /nfs/dbraw/zinc/12/21/01/1041122101.db2.gz NXONLEYHDSIBTH-CMDGGOBGSA-N 0 0 348.402 3.672 50 30 EHEARN CNC(=O)c1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000032760951 1120554800 /nfs/dbraw/zinc/55/48/00/1120554800.db2.gz SLFLBTVXYPLHGW-NYYWCZLTSA-N 0 0 331.318 3.544 50 30 EHEARN C=CCN(CC=C)C(=O)c1cc(COc2ccc3ncccc3c2)on1 ZINC000012433172 1129925353 /nfs/dbraw/zinc/92/53/53/1129925353.db2.gz SWVHEDISXLHGJJ-UHFFFAOYSA-N 0 0 349.390 3.616 50 30 EHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(F)cc2)nn1C ZINC000952987178 1137485527 /nfs/dbraw/zinc/48/55/27/1137485527.db2.gz RRGYUKUWCJCSTC-IYBDPMFKSA-N 0 0 325.387 3.549 50 30 EHEARN Cc1ccc(S(=O)(=O)N=C(NC2CCCC2)c2ccccc2)cc1 ZINC000005981310 1138806700 /nfs/dbraw/zinc/80/67/00/1138806700.db2.gz UQWMZUUSGBDHHD-UHFFFAOYSA-N 0 0 342.464 3.663 50 30 EHEARN COc1ccc(C=NNc2nc3cc(Cl)ccc3[nH]2)cc1OC ZINC000004738214 210264777 /nfs/dbraw/zinc/26/47/77/210264777.db2.gz IYVGYMJILLQADZ-GIJQJNRQSA-N 0 0 330.775 3.680 50 30 EHEARN Cc1cccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000004706974 210255220 /nfs/dbraw/zinc/25/52/20/210255220.db2.gz DFWXTRZOGYGOJV-UHFFFAOYSA-N 0 0 332.403 3.794 50 30 EHEARN C=C(C)COc1cccc(CN[C@@H](CC(C)C)c2ncnn2C)c1 ZINC000055166328 214281730 /nfs/dbraw/zinc/28/17/30/214281730.db2.gz SUKOUALYIKZTLT-SFHVURJKSA-N 0 0 328.460 3.647 50 30 EHEARN CCCN(CC#Cc1ccccc1)C(=O)c1cc2cccnc2nc1C ZINC000055306956 214303804 /nfs/dbraw/zinc/30/38/04/214303804.db2.gz OCBNFDLUOXPVIL-UHFFFAOYSA-N 0 0 343.430 3.842 50 30 EHEARN O=c1c2ccccc2nc(N=NCc2ccccc2)n1-c1ccccc1 ZINC000004611084 210232644 /nfs/dbraw/zinc/23/26/44/210232644.db2.gz BRKYQUWCIDLKEY-PXLXIMEGSA-N 0 0 340.386 3.832 50 30 EHEARN C/N=C1/S/C(=C/c2ccc(O)c(OC)c2)C(=O)N1C1CCCCC1 ZINC000004577406 210225171 /nfs/dbraw/zinc/22/51/71/210225171.db2.gz SLJOLCMVKXJWGQ-FLXQFUDPSA-N 0 0 346.452 3.636 50 30 EHEARN COc1cc(C=O)c(Br)cc1OCc1ccccc1C#N ZINC000004526032 210215200 /nfs/dbraw/zinc/21/52/00/210215200.db2.gz DTORJJGAJINZDL-UHFFFAOYSA-N 0 0 346.180 3.721 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1cccc(C(F)(F)F)c1 ZINC000004488883 210202437 /nfs/dbraw/zinc/20/24/37/210202437.db2.gz QYSMMCIFFRYKHJ-LBPRGKRZSA-N 0 0 337.341 3.952 50 30 EHEARN COc1ccc(N=CC(=CNc2ccc(OC)cc2)[N+](=O)[O-])cc1 ZINC000004466581 210194600 /nfs/dbraw/zinc/19/46/00/210194600.db2.gz IKURFEDIDMEYSH-RRRJGDELSA-N 0 0 327.340 3.636 50 30 EHEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCCC2)c1CCC#N ZINC000004453692 210193846 /nfs/dbraw/zinc/19/38/46/210193846.db2.gz YEVWEVUCRZOOQA-UHFFFAOYSA-N 0 0 329.407 3.724 50 30 EHEARN CCOC(=O)c1cc(C)sc1NC=C1C(=O)c2ccccc2C1=O ZINC000100772885 219106478 /nfs/dbraw/zinc/10/64/78/219106478.db2.gz PJUXGALMCFEXNI-DJKKODMXSA-N 0 0 341.388 3.631 50 30 EHEARN O=C(C(=CNc1ccccc1F)C(=O)C(F)(F)F)c1ccco1 ZINC000100862342 219109475 /nfs/dbraw/zinc/10/94/75/219109475.db2.gz RTRFHMSHWLHWJJ-HJWRWDBZSA-N 0 0 327.233 3.729 50 30 EHEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004385018 210184886 /nfs/dbraw/zinc/18/48/86/210184886.db2.gz WLSUHLIOZHPFGW-AWEZNQCLSA-N 0 0 335.382 3.882 50 30 EHEARN Cc1ccc(N2C(=O)CS/C2=N/C(=O)c2ccc(Cl)cc2)cc1 ZINC000101127543 219116828 /nfs/dbraw/zinc/11/68/28/219116828.db2.gz YFLXKHHPNZNYGP-HTXNQAPBSA-N 0 0 344.823 3.925 50 30 EHEARN N#Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C3CC3)o2)cc1 ZINC000065218543 214845298 /nfs/dbraw/zinc/84/52/98/214845298.db2.gz JVHCMXHUAUUXOM-UHFFFAOYSA-N 0 0 336.376 3.799 50 30 EHEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004292899 210162855 /nfs/dbraw/zinc/16/28/55/210162855.db2.gz VVSMJVQHDZUPIL-XFKPDKBWSA-N 0 0 344.451 3.629 50 30 EHEARN N/C(=N/O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004276729 210159510 /nfs/dbraw/zinc/15/95/10/210159510.db2.gz XMMAGODKMJZYPO-UHFFFAOYSA-N 0 0 341.245 3.500 50 30 EHEARN CC(C)(C)C(=O)C=c1nc2c(nc1CC(=O)C(C)(C)C)=CC=CN2 ZINC000004075362 210112907 /nfs/dbraw/zinc/11/29/07/210112907.db2.gz JGUJUURJZVGXTO-WGYBXSNTSA-N 0 0 327.428 3.917 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000004033544 210104041 /nfs/dbraw/zinc/10/40/41/210104041.db2.gz LROLPWGTOJARGY-KRWDZBQOSA-N 0 0 343.430 3.807 50 30 EHEARN O=C1c2ccccc2C(=O)C(N2CCCCC2)=C1Nc1ccccc1 ZINC000003904083 210088805 /nfs/dbraw/zinc/08/88/05/210088805.db2.gz ZTVZJPLQFQZWPX-UHFFFAOYSA-N 0 0 332.403 3.875 50 30 EHEARN C#CCOc1ccccc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000003771136 210075883 /nfs/dbraw/zinc/07/58/83/210075883.db2.gz JKUSJDFRQGEHGE-UHFFFAOYSA-N 0 0 348.398 3.827 50 30 EHEARN N#Cc1ccc(OCCSc2nnc(-c3cccs3)o2)cc1 ZINC000003439815 210040282 /nfs/dbraw/zinc/04/02/82/210040282.db2.gz AVOBWAVCLHXLQY-UHFFFAOYSA-N 0 0 329.406 3.841 50 30 EHEARN N#Cc1c(=O)n(-c2ccccn2)c(-c2ccccc2)c2c1CCCC2 ZINC000067257823 215127938 /nfs/dbraw/zinc/12/79/38/215127938.db2.gz RRFDCACVJZRFPR-UHFFFAOYSA-N 0 0 327.387 3.650 50 30 EHEARN N#Cc1ccc(CSc2nnc(Cc3cccc(F)c3)o2)cc1 ZINC000067754986 215202873 /nfs/dbraw/zinc/20/28/73/215202873.db2.gz YWLOTMTYNXAYNN-UHFFFAOYSA-N 0 0 325.368 3.963 50 30 EHEARN CC(C)c1cc(-c2ccccc2OCCn2ccnc2)c(C#N)c(N)n1 ZINC000067803427 215215691 /nfs/dbraw/zinc/21/56/91/215215691.db2.gz NXTXPWCYYHGSEF-UHFFFAOYSA-N 0 0 347.422 3.601 50 30 EHEARN Cc1ccccc1-c1cc(-c2cccc(OCCO)c2)c(C#N)c(N)n1 ZINC000067847629 215230513 /nfs/dbraw/zinc/23/05/13/215230513.db2.gz WFKIXDDOOWSUQB-UHFFFAOYSA-N 0 0 345.402 3.549 50 30 EHEARN CN1c2ccc(Br)cc2/C(=C\c2ccc(C#N)cc2)C1=O ZINC000040161157 213277549 /nfs/dbraw/zinc/27/75/49/213277549.db2.gz IAEMQAVFTUCSEO-OVCLIPMQSA-N 0 0 339.192 3.838 50 30 EHEARN Cc1cccc(Cl)c1OCc1ccc(C=NN2CN=NC2=S)o1 ZINC000036611112 213100260 /nfs/dbraw/zinc/10/02/60/213100260.db2.gz RQKIHHLYDSISPI-CNHKJKLMSA-N 0 0 348.815 3.583 50 30 EHEARN CCN(CCC#N)CC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000072308429 216145827 /nfs/dbraw/zinc/14/58/27/216145827.db2.gz NBFVTEOWBVXEEK-FQEVSTJZSA-N 0 0 329.488 3.859 50 30 EHEARN N#Cc1nc(COc2ccccc2Cl)oc1NCc1ccco1 ZINC000000200322 209479592 /nfs/dbraw/zinc/47/95/92/209479592.db2.gz ZRHLOQUYYSCRBE-UHFFFAOYSA-N 0 0 329.743 3.984 50 30 EHEARN COc1cc(/C=N/c2ccc3oc(=O)ccc3c2)cc(OC)c1OC ZINC000000067067 209397847 /nfs/dbraw/zinc/39/78/47/209397847.db2.gz OTYYYVZHJYKZFO-RGVLZGJSSA-N 0 0 339.347 3.569 50 30 EHEARN N#Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 ZINC000000062431 209395223 /nfs/dbraw/zinc/39/52/23/209395223.db2.gz FCZSFFDRUXQUAL-UHFFFAOYSA-N 0 0 325.418 3.899 50 30 EHEARN Cc1nc(SCC(=O)OCc2ccccc2)c(C#N)c(C)c1C ZINC000000050126 209391057 /nfs/dbraw/zinc/39/10/57/209391057.db2.gz ZSWOUTDLQPMOQB-UHFFFAOYSA-N 0 0 326.421 3.714 50 30 EHEARN N#Cc1ccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)cc1C#N ZINC000000049559 209390640 /nfs/dbraw/zinc/39/06/40/209390640.db2.gz UUTJYRYQYWOTIA-UHFFFAOYSA-N 0 0 348.365 3.796 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccccc1[N+](=O)[O-] ZINC000024099000 212409516 /nfs/dbraw/zinc/40/95/16/212409516.db2.gz QHECMGJNSBCOOV-IENJSVCTSA-N 0 0 335.363 3.688 50 30 EHEARN COc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000023881455 212398132 /nfs/dbraw/zinc/39/81/32/212398132.db2.gz XIPFBJLPWANXPC-UHFFFAOYSA-N 0 0 328.371 3.742 50 30 EHEARN CCCSc1ncc(Cl)c(C(=O)Oc2ccc(C#N)cc2)n1 ZINC000022698227 212317794 /nfs/dbraw/zinc/31/77/94/212317794.db2.gz OYVDYWVQXDNVME-UHFFFAOYSA-N 0 0 333.800 3.723 50 30 EHEARN C=CCn1c2ccc(NC(=O)Cc3ccccc3C)cc2sc1=O ZINC000021354918 212221695 /nfs/dbraw/zinc/22/16/95/212221695.db2.gz LHJWDGHGQJJSCS-UHFFFAOYSA-N 0 0 338.432 3.739 50 30 EHEARN N#Cc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c1 ZINC000021107499 212207154 /nfs/dbraw/zinc/20/71/54/212207154.db2.gz SGXUZDXBDWIDMS-FQEVSTJZSA-N 0 0 340.386 3.720 50 30 EHEARN CCOc1nc(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N ZINC000019862850 212077113 /nfs/dbraw/zinc/07/71/13/212077113.db2.gz WBUDNTDKTSDFLY-UHFFFAOYSA-N 0 0 333.178 3.780 50 30 EHEARN Cc1ccc(CN2CCN(/N=C\c3ccc(Cl)cc3)CC2)cc1 ZINC000019773082 212063826 /nfs/dbraw/zinc/06/38/26/212063826.db2.gz KVFMKQZHMDBQPJ-STZFKDTASA-N 0 0 327.859 3.800 50 30 EHEARN Cc1c2c(nc(SCC(=O)N3CCCCCCC3)c1C#N)CCC2 ZINC000019194039 212003535 /nfs/dbraw/zinc/00/35/35/212003535.db2.gz AWTDWIGJRUKADY-UHFFFAOYSA-N 0 0 343.496 3.635 50 30 EHEARN Cc1cc(C(F)(F)F)nc(NC(=N)Nc2ccc(Cl)cc2)n1 ZINC000017198037 211960281 /nfs/dbraw/zinc/96/02/81/211960281.db2.gz YFVMDFBZLZNWJO-UHFFFAOYSA-N 0 0 329.713 3.516 50 30 EHEARN Cc1cccc2nc(CNc3nc(C(F)(F)F)ccc3C#N)n(C)c21 ZINC000079111704 217196441 /nfs/dbraw/zinc/19/64/41/217196441.db2.gz IBGMZHADNWMQHD-UHFFFAOYSA-N 0 0 345.328 3.779 50 30 EHEARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1sccc1C#N ZINC000012799547 211459862 /nfs/dbraw/zinc/45/98/62/211459862.db2.gz VTLXVANRXHZWFA-MRXNPFEDSA-N 0 0 337.404 3.522 50 30 EHEARN CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc(C#N)cc1 ZINC000012780009 211453750 /nfs/dbraw/zinc/45/37/50/211453750.db2.gz RLLYGWMQQFEHAW-INIZCTEOSA-N 0 0 326.421 3.535 50 30 EHEARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012763048 211448504 /nfs/dbraw/zinc/44/85/04/211448504.db2.gz LZJKDNBWGZNLPP-FPYGCLRLSA-N 0 0 332.281 3.771 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccc(Cl)cc2)C1 ZINC000012390033 211366618 /nfs/dbraw/zinc/36/66/18/211366618.db2.gz YESOITNYQCSOMC-AWEZNQCLSA-N 0 0 344.802 3.945 50 30 EHEARN C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 ZINC000012237866 211327496 /nfs/dbraw/zinc/32/74/96/211327496.db2.gz ZWEAQEUVVOOTRS-UHFFFAOYSA-N 0 0 342.782 3.504 50 30 EHEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(O)c1 ZINC000012111595 211291988 /nfs/dbraw/zinc/29/19/88/211291988.db2.gz WFKAPJAEIIERSD-SFHVURJKSA-N 0 0 347.370 3.538 50 30 EHEARN CCN(CC)c1ccc(CN(C)C(=O)CCc2ccc(C#N)cc2)cc1 ZINC000010165783 211152108 /nfs/dbraw/zinc/15/21/08/211152108.db2.gz BGDJLCANTWQCFV-UHFFFAOYSA-N 0 0 349.478 3.996 50 30 EHEARN COC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O ZINC000009577138 211104328 /nfs/dbraw/zinc/10/43/28/211104328.db2.gz MAAXNMAEHOMPQV-PXNMLYILSA-N 0 0 344.750 3.508 50 30 EHEARN N#Cc1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000009483750 211090651 /nfs/dbraw/zinc/09/06/51/211090651.db2.gz JIVXPLCHNYUCMY-UHFFFAOYSA-N 0 0 348.840 3.880 50 30 EHEARN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(Cl)s1 ZINC000008769787 211004155 /nfs/dbraw/zinc/00/41/55/211004155.db2.gz UPPABMJWECMBBJ-NSHDSACASA-N 0 0 333.844 3.732 50 30 EHEARN N#Cc1c(CSc2nnc(-c3cccnc3)o2)cn2ccccc12 ZINC000008768596 211001988 /nfs/dbraw/zinc/00/19/88/211001988.db2.gz JFIIBRQMLUIBLV-UHFFFAOYSA-N 0 0 333.376 3.548 50 30 EHEARN CC(C)c1nncn1CCNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000095429661 218372633 /nfs/dbraw/zinc/37/26/33/218372633.db2.gz SOMSSYKFYFGUGG-UHFFFAOYSA-N 0 0 340.818 3.587 50 30 EHEARN Cc1ccc(C[C@H](C#N)Sc2nnnn2-c2c(C)cccc2C)cc1 ZINC000007989607 210878060 /nfs/dbraw/zinc/87/80/60/210878060.db2.gz RXBDBNZBJYIRPS-QGZVFWFLSA-N 0 0 349.463 3.815 50 30 EHEARN C=CCn1c(S[C@H](C)c2nccs2)nc2sccc2c1=O ZINC000096010372 218511459 /nfs/dbraw/zinc/51/14/59/218511459.db2.gz UVAANFJEIOUYAQ-SECBINFHSA-N 0 0 335.479 3.954 50 30 EHEARN CC(=NS(=O)(=O)c1ccc(C)cc1)Nc1cc(C)c(O)cc1C ZINC000006023528 210577396 /nfs/dbraw/zinc/57/73/96/210577396.db2.gz DNNFULNZASVMMM-UHFFFAOYSA-N 0 0 332.425 3.537 50 30 EHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000005642994 210508608 /nfs/dbraw/zinc/50/86/08/210508608.db2.gz AMJWUBAJKODSGN-SGIREYDYSA-N 0 0 331.485 3.746 50 30 EHEARN N#Cc1cccc(OCCCSc2nnc(-c3ccncc3)o2)c1 ZINC000096476048 218853066 /nfs/dbraw/zinc/85/30/66/218853066.db2.gz LHZZMGFBGRGLOM-UHFFFAOYSA-N 0 0 338.392 3.564 50 30 EHEARN C#Cc1cccc(NC(=O)C(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 ZINC000096998996 218911238 /nfs/dbraw/zinc/91/12/38/218911238.db2.gz JZFWVQSGEXLDID-INIZCTEOSA-N 0 0 340.448 3.572 50 30 EHEARN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(OC)cc2)C1=O ZINC000005059434 210378112 /nfs/dbraw/zinc/37/81/12/210378112.db2.gz CQRXCRSNNQZRCB-QGOAFFKASA-N 0 0 349.386 3.572 50 30 EHEARN COc1ccc(NC(=NOC(C)=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000005059755 210379144 /nfs/dbraw/zinc/37/91/44/210379144.db2.gz KIIRKLUNTYMEOL-UHFFFAOYSA-N 0 0 348.786 3.694 50 30 EHEARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(C#N)cc1 ZINC000004963673 210342740 /nfs/dbraw/zinc/34/27/40/210342740.db2.gz LDWRWBFFKVHJAL-ZTFGCOKTSA-N 0 0 343.423 3.719 50 30 EHEARN CC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004937081 210329490 /nfs/dbraw/zinc/32/94/90/210329490.db2.gz LGERHHYECJMWLG-WPFCCQJKSA-N 0 0 343.477 3.992 50 30 EHEARN Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1cccs1 ZINC000004934030 210328800 /nfs/dbraw/zinc/32/88/00/210328800.db2.gz NCUVUOHCFBNBKV-TVGPBNQLSA-N 0 0 343.477 3.911 50 30 EHEARN O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000004913024 210320688 /nfs/dbraw/zinc/32/06/88/210320688.db2.gz GPQWUKQIAKUCSJ-GOSISDBHSA-N 0 0 347.414 3.876 50 30 EHEARN CCSC(=O)[C@H]1CNC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000004844323 210298145 /nfs/dbraw/zinc/29/81/45/210298145.db2.gz QKRQYDBGGPRLNH-DLBZAZTESA-N 0 0 349.455 3.877 50 30 EHEARN C[C@@H](C#N)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000004835773 210293548 /nfs/dbraw/zinc/29/35/48/210293548.db2.gz NROFYDCHQJSXBU-NSHDSACASA-N 0 0 341.827 3.987 50 30 EHEARN C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl ZINC000004802345 210280090 /nfs/dbraw/zinc/28/00/90/210280090.db2.gz DSVLORZNFBHROE-GHRIWEEISA-N 0 0 341.794 3.840 50 30 EHEARN N#CCc1cccc(C(=O)Nc2cccc(Oc3cccnn3)c2)c1 ZINC000081740579 257835258 /nfs/dbraw/zinc/83/52/58/257835258.db2.gz PGUDYODPMNJIIW-UHFFFAOYSA-N 0 0 330.347 3.587 50 30 EHEARN CC(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O ZINC000012879214 258001782 /nfs/dbraw/zinc/00/17/82/258001782.db2.gz CWUONSUTGUMRNQ-SVKBEJCWSA-N 0 0 348.354 3.935 50 30 biogenic EHEARN Cc1cccc(NC(=O)NCCCOC(F)F)c1Br ZINC000330032433 258002576 /nfs/dbraw/zinc/00/25/76/258002576.db2.gz MYHZRRPLAVJZLY-UHFFFAOYSA-N 0 0 337.164 3.713 50 30 EHEARN C=CCc1cccc2cc(C(=O)OCC(=O)c3ccccc3)c(=O)oc21 ZINC000002901344 258047074 /nfs/dbraw/zinc/04/70/74/258047074.db2.gz XVPKDNYYYFMQDL-UHFFFAOYSA-N 0 0 348.354 3.561 50 30 biogenic EHEARN Cc1oc(C#N)cc1C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000280822343 258013359 /nfs/dbraw/zinc/01/33/59/258013359.db2.gz NMEDLUGKOOOBIL-APPDUMDISA-N 0 0 344.798 3.715 50 30 EHEARN O=C(OCC#CCSc1nc2ccccc2s1)c1ccco1 ZINC000002374107 258017353 /nfs/dbraw/zinc/01/73/53/258017353.db2.gz ZVPXBBNANIZFJR-UHFFFAOYSA-N 0 0 329.402 3.842 50 30 EHEARN O=C(OCC#CCSc1nc2ccccc2o1)c1cccs1 ZINC000002376404 258017491 /nfs/dbraw/zinc/01/74/91/258017491.db2.gz OYXNKBNGQCGOEL-UHFFFAOYSA-N 0 0 329.402 3.842 50 30 EHEARN COc1ccc([C@H](C)NC(=S)NCc2ccc(F)cc2)cc1OC ZINC000001121646 258048983 /nfs/dbraw/zinc/04/89/83/258048983.db2.gz WNTLCXGICFIALY-LBPRGKRZSA-N 0 0 348.443 3.980 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)s1 ZINC000006138392 258051804 /nfs/dbraw/zinc/05/18/04/258051804.db2.gz YLDPWKTWEGPRPP-QGZVFWFLSA-N 0 0 331.437 3.588 50 30 EHEARN O=C1N/C(=N\c2cccc(O)c2)S/C1=C\c1c[nH]c2ccccc12 ZINC000006932021 258052367 /nfs/dbraw/zinc/05/23/67/258052367.db2.gz UYYDLMHJWWDZEP-PXNMLYILSA-N 0 0 335.388 3.765 50 30 EHEARN COCc1cc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)ccc1OC ZINC000007352131 258053136 /nfs/dbraw/zinc/05/31/36/258053136.db2.gz AFRPZEOZXHPIDD-UXBLZVDNSA-N 0 0 339.391 3.696 50 30 EHEARN COc1ccccc1[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000012879555 258055633 /nfs/dbraw/zinc/05/56/33/258055633.db2.gz BAFJTORLNXKIKA-ZDUSSCGKSA-N 0 0 349.390 3.750 50 30 EHEARN C[C@@H]1CCc2ccccc2N1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000040123066 132399166 /nfs/dbraw/zinc/39/91/66/132399166.db2.gz OATVOEDGGWHAJQ-OAHLLOKOSA-N 0 0 334.423 3.521 50 30 EHEARN N#Cc1cccnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000058329737 132433670 /nfs/dbraw/zinc/43/36/70/132433670.db2.gz XQDWAVISORCEAQ-OAHLLOKOSA-N 0 0 349.369 3.526 50 30 EHEARN CC(C)(C)SCC(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328587978 518903808 /nfs/dbraw/zinc/90/38/08/518903808.db2.gz KXOQVJVDIXQNRS-JTQLQIEISA-N 0 0 349.422 3.953 50 30 EHEARN C=CCOc1ccccc1C(=O)Nc1nn(-c2ccccc2)cc1C ZINC000106714955 519066917 /nfs/dbraw/zinc/06/69/17/519066917.db2.gz VQTPTPMSPWKJTM-UHFFFAOYSA-N 0 0 333.391 3.998 50 30 EHEARN C=CCn1c(SCC(=O)c2cccs2)nnc1-c1ccncc1 ZINC000005049945 519233568 /nfs/dbraw/zinc/23/35/68/519233568.db2.gz WNOXVLMICNDKHY-UHFFFAOYSA-N 0 0 342.449 3.563 50 30 EHEARN CC(C)c1ccc(CN(C)CC(=O)NC2(C#N)CCCCCC2)cc1 ZINC000030959442 519835805 /nfs/dbraw/zinc/83/58/05/519835805.db2.gz ZFZUDNKOGVFVKN-UHFFFAOYSA-N 0 0 341.499 3.975 50 30 EHEARN COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1F ZINC000004320992 521948683 /nfs/dbraw/zinc/94/86/83/521948683.db2.gz JNOKWPYVPIQTQD-OQLLNIDSSA-N 0 0 341.338 3.729 50 30 EHEARN CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000006337438 523994659 /nfs/dbraw/zinc/99/46/59/523994659.db2.gz CESBGLJGMBOFEK-FMIVXFBMSA-N 0 0 343.810 3.703 50 30 EHEARN N#Cc1ccc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cn1 ZINC000154428403 534790041 /nfs/dbraw/zinc/79/00/41/534790041.db2.gz CVGXZLTVRVUPSR-SNVBAGLBSA-N 0 0 338.358 3.813 50 30 EHEARN Cc1cc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)no1 ZINC000172111074 524631606 /nfs/dbraw/zinc/63/16/06/524631606.db2.gz JQVFNYZBGQFNAS-UHFFFAOYSA-N 0 0 329.425 3.756 50 30 EHEARN Cc1cc2occ(CC(=O)N(CCC#N)Cc3cccnc3)c2c(C)c1 ZINC000037867469 525696922 /nfs/dbraw/zinc/69/69/22/525696922.db2.gz VYIXTFGWKXZVJE-UHFFFAOYSA-N 0 0 347.418 3.930 50 30 EHEARN N#CCCN(Cc1ccccn1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000069807792 526455763 /nfs/dbraw/zinc/45/57/63/526455763.db2.gz LCPQCTPGBJKOGY-UHFFFAOYSA-N 0 0 347.340 3.585 50 30 EHEARN N#CCSc1ccccc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000021708411 526477164 /nfs/dbraw/zinc/47/71/64/526477164.db2.gz RUWYPHWDHYTOHQ-UHFFFAOYSA-N 0 0 348.374 3.834 50 30 EHEARN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC000328594575 527585647 /nfs/dbraw/zinc/58/56/47/527585647.db2.gz VKHZJXAFIZIMEY-CTASWTNQSA-N 0 0 342.361 3.625 50 30 EHEARN O/N=C(\NCCc1ccncc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000004306614 527589194 /nfs/dbraw/zinc/58/91/94/527589194.db2.gz LSXQGAZFTBNYFY-HXUWFJFHSA-N 0 0 349.409 3.973 50 30 EHEARN O=C(/C=C/c1ccc(F)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000011334643 527611078 /nfs/dbraw/zinc/61/10/78/527611078.db2.gz PSUYIBZTAASUTR-FNORWQNLSA-N 0 0 329.346 3.698 50 30 EHEARN O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000014197004 527650536 /nfs/dbraw/zinc/65/05/36/527650536.db2.gz VLZHXMGIBZIESH-SOFGYWHQSA-N 0 0 346.386 3.599 50 30 EHEARN COC(=O)c1cc(/C=C2\CSc3ccc(Cl)cc3C2=O)cn1C ZINC000000112803 563230430 /nfs/dbraw/zinc/23/04/30/563230430.db2.gz GEHJMQTVVQBVLH-VZUCSPMQSA-N 0 0 347.823 3.837 50 30 EHEARN Brc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1 ZINC000000136532 563240595 /nfs/dbraw/zinc/24/05/95/563240595.db2.gz XPFKTEAJOXRIJS-XMHGGMMESA-N 0 0 344.256 3.605 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000000379115 563299749 /nfs/dbraw/zinc/29/97/49/563299749.db2.gz RYJDXMOENCDKLR-KRWDZBQOSA-N 0 0 349.361 3.567 50 30 EHEARN CC1=C(CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc2C1=O ZINC000001400761 563387453 /nfs/dbraw/zinc/38/74/53/563387453.db2.gz TZGKWYPKVUZODV-UHFFFAOYSA-N 0 0 335.315 3.563 50 30 EHEARN NC(=O)c1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 ZINC000002561918 563441624 /nfs/dbraw/zinc/44/16/24/563441624.db2.gz RHUHRHXUFNGPLQ-UHFFFAOYSA-N 0 0 340.382 3.962 50 30 EHEARN COc1ccc(CN=Nc2cc(-c3ccccc3)nc(C)n2)c(OC)c1 ZINC000004595559 563505822 /nfs/dbraw/zinc/50/58/22/563505822.db2.gz ZCRBYGADMRMDPV-FYJGNVAPSA-N 0 0 348.406 3.915 50 30 EHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000006022174 563557462 /nfs/dbraw/zinc/55/74/62/563557462.db2.gz HPJKINDEXYULTN-MRXNPFEDSA-N 0 0 326.783 3.851 50 30 EHEARN COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1O ZINC000002692995 563602097 /nfs/dbraw/zinc/60/20/97/563602097.db2.gz NZRMATYFEMDDNF-UHFFFAOYSA-N 0 0 340.375 3.529 50 30 EHEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000013285538 563694171 /nfs/dbraw/zinc/69/41/71/563694171.db2.gz BEAHYYJNEHULJA-SFHVURJKSA-N 0 0 325.408 3.606 50 30 EHEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccco1 ZINC000015015622 563772450 /nfs/dbraw/zinc/77/24/50/563772450.db2.gz LWYXKRQIIURUNO-WQLSENKSSA-N 0 0 349.209 3.934 50 30 EHEARN Cc1nc([C@@H]2CCCN(c3ccc(C#N)c(C(F)(F)F)c3)C2)no1 ZINC000072300235 563912758 /nfs/dbraw/zinc/91/27/58/563912758.db2.gz IHJBLXLLCXEWAR-GFCCVEGCSA-N 0 0 336.317 3.653 50 30 EHEARN CCOC(=O)[C@H](C#N)[C@]1(c2ccc(OC)cc2)CCO[C@](C)(CC)C1 ZINC000004951060 563919059 /nfs/dbraw/zinc/91/90/59/563919059.db2.gz WFBNDJNPEABRFD-DFQSSKMNSA-N 0 0 345.439 3.615 50 30 EHEARN C[C@H](CC#N)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000058377416 563944211 /nfs/dbraw/zinc/94/42/11/563944211.db2.gz SDCNBWIAGWRDJG-MRXNPFEDSA-N 0 0 344.418 3.630 50 30 EHEARN C=CCCC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1 ZINC000097000824 563966601 /nfs/dbraw/zinc/96/66/01/563966601.db2.gz BJAIMFWWQMRZJQ-IBGZPJMESA-N 0 0 334.419 3.939 50 30 EHEARN C=CCNC(=O)Nc1cc(Br)ccc1Br ZINC000044078719 563981236 /nfs/dbraw/zinc/98/12/36/563981236.db2.gz DDUFUEJKDCPQHI-UHFFFAOYSA-N 0 0 334.011 3.519 50 30 EHEARN CCn1cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC000071748032 563982982 /nfs/dbraw/zinc/98/29/82/563982982.db2.gz NLIBJINSRQPERM-SFHVURJKSA-N 0 0 329.831 3.607 50 30 EHEARN N#Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1Cl ZINC000014119499 563983245 /nfs/dbraw/zinc/98/32/45/563983245.db2.gz DQUDEOFRFVIWMD-UHFFFAOYSA-N 0 0 343.795 3.508 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000072309861 563983756 /nfs/dbraw/zinc/98/37/56/563983756.db2.gz HUPJRPVGJOBPFK-GFCCVEGCSA-N 0 0 336.386 3.578 50 30 EHEARN Cc1nc(SCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1C ZINC000000109078 563986503 /nfs/dbraw/zinc/98/65/03/563986503.db2.gz RGINBLMFQUFCJB-UHFFFAOYSA-N 0 0 325.437 3.634 50 30 EHEARN COc1ccc(-c2ncnn2-c2sc3c(c2C#N)CCCC3)cc1 ZINC000000181016 563987855 /nfs/dbraw/zinc/98/78/55/563987855.db2.gz GVRDXTJPIROCLJ-UHFFFAOYSA-N 0 0 336.420 3.755 50 30 EHEARN O=C(Nc1nnc(/N=C/c2ccc(F)cc2)s1)c1ccc(F)cc1 ZINC000000187241 563987990 /nfs/dbraw/zinc/98/79/90/563987990.db2.gz CVJRCKXBURUYNC-DJKKODMXSA-N 0 0 344.346 3.819 50 30 EHEARN CN1c2ccccc2/C(=N/OC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000000208779 563988485 /nfs/dbraw/zinc/98/84/85/563988485.db2.gz UDCCKADYBJAPGF-RGEXLXHISA-N 0 0 349.173 3.531 50 30 EHEARN O[C@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccccc1F ZINC000000281096 563990197 /nfs/dbraw/zinc/99/01/97/563990197.db2.gz PUDGHLSRJWJKPO-OAQYLSRUSA-N 0 0 332.374 3.799 50 30 EHEARN C=C(C)Cn1c(SC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000000371850 563991790 /nfs/dbraw/zinc/99/17/90/563991790.db2.gz XXYYEIHFCDHTJW-UHFFFAOYSA-N 0 0 336.482 3.607 50 30 EHEARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(c2cc(C#N)ncn2)C1 ZINC000408514545 563992900 /nfs/dbraw/zinc/99/29/00/563992900.db2.gz NVPTYEPTZWLXRL-OAHLLOKOSA-N 0 0 346.438 3.663 50 30 EHEARN COC(=O)c1cc(C(Cc2ccccc2)=NNc2ccccc2)c[nH]1 ZINC000005209842 564000663 /nfs/dbraw/zinc/00/06/63/564000663.db2.gz OUPMKKXUCRCKMI-NKFKGCMQSA-N 0 0 333.391 3.860 50 30 EHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000005561637 564005577 /nfs/dbraw/zinc/00/55/77/564005577.db2.gz KEWUFXYOWOILQO-KRWDZBQOSA-N 0 0 335.334 3.663 50 30 EHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccccc1F ZINC000100909775 564017048 /nfs/dbraw/zinc/01/70/48/564017048.db2.gz DHHNBJRYUWFNOI-ZZEZOPTASA-N 0 0 342.395 3.778 50 30 EHEARN CC[C@@H](OC)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000062676435 564017749 /nfs/dbraw/zinc/01/77/49/564017749.db2.gz IRAYTZPOAQUIAX-GXSJLCMTSA-N 0 0 342.342 3.916 50 30 EHEARN O/N=C/c1cn(C[C@H](O)COc2ccc(Cl)cc2)c2ccccc12 ZINC000101147627 564019253 /nfs/dbraw/zinc/01/92/53/564019253.db2.gz CHFUDUATUOYKJN-FULVDIRDSA-N 0 0 344.798 3.543 50 30 EHEARN CC(C)[C@@H]1CC[C@@H](C)/C(=C\N2CCN(c3ccccc3)CC2)C1=O ZINC000101800647 564019580 /nfs/dbraw/zinc/01/95/80/564019580.db2.gz ZSRVXWVHYKWMNR-DCSUCPJGSA-N 0 0 326.484 3.964 50 30 EHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@H]1C=CCC1 ZINC000103259832 564021970 /nfs/dbraw/zinc/02/19/70/564021970.db2.gz IUUXBWWTOBBHDH-STQMWFEESA-N 0 0 346.814 3.661 50 30 EHEARN Cc1cccc(C2(C(=O)[C@H](C#N)C(=O)Nc3ccccc3F)CC2)c1 ZINC000103633206 564023043 /nfs/dbraw/zinc/02/30/43/564023043.db2.gz BPTMMURBKFMINT-HNNXBMFYSA-N 0 0 336.366 3.513 50 30 EHEARN N#CCOc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000016470193 564024645 /nfs/dbraw/zinc/02/46/45/564024645.db2.gz SMEHPDMHJVSCCI-UHFFFAOYSA-N 0 0 334.297 3.789 50 30 EHEARN N#Cc1c(COC(=O)/C=C/c2nc3ccccc3o2)cn2ccccc12 ZINC000014853677 564025039 /nfs/dbraw/zinc/02/50/39/564025039.db2.gz LNIUPWFTFHGPPZ-CMDGGOBGSA-N 0 0 343.342 3.709 50 30 EHEARN COC(=O)c1ccccc1/N=C\c1cc(Br)ccc1O ZINC000044835832 564027304 /nfs/dbraw/zinc/02/73/04/564027304.db2.gz FQLYLDXIOCTHJV-MFOYZWKCSA-N 0 0 334.169 3.692 50 30 EHEARN CC(=O)O[C@@H]1C[C@@H]2[C@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254877594 564053701 /nfs/dbraw/zinc/05/37/01/564053701.db2.gz WGJULUODXUVWJZ-VBKKRUBMSA-N 0 0 344.451 3.629 50 30 EHEARN O=[N+]([O-])c1ccc([C@@H](O)C/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000000973173 564053760 /nfs/dbraw/zinc/05/37/60/564053760.db2.gz HLVVYZODVRPTMT-ATASCALFSA-N 0 0 336.347 3.606 50 30 EHEARN C=CCc1ccc(OCC(=O)n2nc(C)c(Cl)c2C)c(OC)c1 ZINC000000997592 564053896 /nfs/dbraw/zinc/05/38/96/564053896.db2.gz OJQRQVFZNJXMIU-UHFFFAOYSA-N 0 0 334.803 3.610 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257356497 564055908 /nfs/dbraw/zinc/05/59/08/564055908.db2.gz IKTWAVWPFLQACH-ZIKUCTJESA-N 0 0 326.436 3.823 50 30 EHEARN CC(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O ZINC000005825086 564056549 /nfs/dbraw/zinc/05/65/49/564056549.db2.gz NTIZHVFVILVHJV-OCKHKDLRSA-N 0 0 334.327 3.547 50 30 biogenic EHEARN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000366866815 564057459 /nfs/dbraw/zinc/05/74/59/564057459.db2.gz SLMAEVFGJPIWAS-ZFKCKOODSA-N 0 0 341.455 3.660 50 30 EHEARN COc1cc(C#N)c(NC(=S)Nc2ccc(F)cc2)cc1OC ZINC000001394212 564064439 /nfs/dbraw/zinc/06/44/39/564064439.db2.gz HPYKLAZYEVFYOS-UHFFFAOYSA-N 0 0 331.372 3.523 50 30 EHEARN COc1cccc([C@H](C)CC(=O)N[C@H](C#N)c2ccccc2OC)c1 ZINC000084598786 564068976 /nfs/dbraw/zinc/06/89/76/564068976.db2.gz AYTDYZSYXWJQJN-RDTXWAMCSA-N 0 0 338.407 3.578 50 30 EHEARN C=CCOc1ccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)cc1 ZINC000084637517 564069264 /nfs/dbraw/zinc/06/92/64/564069264.db2.gz FFLIGMMWAVTHMK-NRFANRHFSA-N 0 0 334.419 3.896 50 30 EHEARN C=CCc1cccc2cc(C(=O)NC3CCC(C)CC3)c(=O)oc21 ZINC000001459685 564072972 /nfs/dbraw/zinc/07/29/72/564072972.db2.gz UPNVAWLEDGWDGD-UHFFFAOYSA-N 0 0 325.408 3.830 50 30 EHEARN COc1ccc(NC(=O)c2cccc(C#CC3(O)CCCCC3)c2)cc1 ZINC000000081097 564074452 /nfs/dbraw/zinc/07/44/52/564074452.db2.gz KYRRBMSKPHXYNH-UHFFFAOYSA-N 0 0 349.430 3.994 50 30 EHEARN C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O ZINC000001112830 564074683 /nfs/dbraw/zinc/07/46/83/564074683.db2.gz KTVDUQNSVZEJEX-SFQUDFHCSA-N 0 0 336.416 3.764 50 30 EHEARN CC(=O)Nc1cc(C(=O)Nc2cc(C#N)ccc2Cl)ccc1F ZINC000088229154 564078574 /nfs/dbraw/zinc/07/85/74/564078574.db2.gz GFUSUZSFZWAMFW-UHFFFAOYSA-N 0 0 331.734 3.561 50 30 EHEARN N#CC1(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CCCC1 ZINC000186524926 564078768 /nfs/dbraw/zinc/07/87/68/564078768.db2.gz TWWHHKIJFMWXQH-UHFFFAOYSA-N 0 0 346.228 3.631 50 30 EHEARN N#Cc1ccc(COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 ZINC000006322123 564085012 /nfs/dbraw/zinc/08/50/12/564085012.db2.gz LOJRLCAITZNVGH-UHFFFAOYSA-N 0 0 327.767 3.918 50 30 EHEARN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cl)c2)cc1 ZINC000191374732 564085799 /nfs/dbraw/zinc/08/57/99/564085799.db2.gz UUEADNBTRORXQZ-ZDUSSCGKSA-N 0 0 332.812 3.925 50 30 EHEARN Cc1ccsc1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000244858629 564088614 /nfs/dbraw/zinc/08/86/14/564088614.db2.gz VOVVYKICEUVJND-UHFFFAOYSA-N 0 0 333.888 3.862 50 30 EHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000252429520 564089386 /nfs/dbraw/zinc/08/93/86/564089386.db2.gz YYMRKUPBZVGCSY-UHFFFAOYSA-N 0 0 344.827 3.778 50 30 EHEARN C#Cc1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1 ZINC000075566705 564089552 /nfs/dbraw/zinc/08/95/52/564089552.db2.gz KXZTVTXACJOAFK-UHFFFAOYSA-N 0 0 333.416 3.557 50 30 EHEARN N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2ncccn2)cc1 ZINC000192088811 564090044 /nfs/dbraw/zinc/09/00/44/564090044.db2.gz XWLXLTNPRXZHNJ-UHFFFAOYSA-N 0 0 332.382 3.690 50 30 EHEARN COc1ccc(Cl)c(NC(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000089432839 564090593 /nfs/dbraw/zinc/09/05/93/564090593.db2.gz BTWMRZRMKOUERS-UHFFFAOYSA-N 0 0 344.802 3.691 50 30 EHEARN N#Cc1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cn1 ZINC000267370463 564093128 /nfs/dbraw/zinc/09/31/28/564093128.db2.gz JSFJKVBBNUXRJD-SFHVURJKSA-N 0 0 327.815 3.557 50 30 EHEARN N#CCSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000007309264 564106687 /nfs/dbraw/zinc/10/66/87/564106687.db2.gz RCHHPOYOYFOVLL-UHFFFAOYSA-N 0 0 332.332 3.796 50 30 EHEARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1ccc(C#N)cc1 ZINC000007315090 564106753 /nfs/dbraw/zinc/10/67/53/564106753.db2.gz BGNLGASFTWVKGF-HXUWFJFHSA-N 0 0 346.386 3.566 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCCC[C@H]3C)sc2C1 ZINC000251614275 564112495 /nfs/dbraw/zinc/11/24/95/564112495.db2.gz HCWCJKVCDIZVRX-CHWSQXEVSA-N 0 0 331.485 3.557 50 30 EHEARN Fc1ccc(C2N=NC(=S)N2N=Cc2ccccc2Cl)cc1 ZINC000005998081 564112978 /nfs/dbraw/zinc/11/29/78/564112978.db2.gz OMBPOIDIWQEVMJ-GIJQJNRQSA-N 0 0 332.791 3.909 50 30 EHEARN COc1ccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)cc1 ZINC000006007000 564113464 /nfs/dbraw/zinc/11/34/64/564113464.db2.gz XZSUQZONOBRLTG-RGVLZGJSSA-N 0 0 349.419 3.606 50 30 EHEARN CO[C@@H](C)c1cccc(NC(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000089905243 564115111 /nfs/dbraw/zinc/11/51/11/564115111.db2.gz JAHIUIQXUXRBQY-HNNXBMFYSA-N 0 0 338.411 3.737 50 30 EHEARN Oc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c(O)c1 ZINC000006057895 564116374 /nfs/dbraw/zinc/11/63/74/564116374.db2.gz ITRMZFHWIWIIET-CAOOACKPSA-N 0 0 346.799 3.554 50 30 EHEARN C=CCn1c(SCCn2cc(C)cn2)nnc1-c1ccc(F)cc1 ZINC000252509343 564120008 /nfs/dbraw/zinc/12/00/08/564120008.db2.gz YLTGLSOQKQJXKU-UHFFFAOYSA-N 0 0 343.431 3.567 50 30 EHEARN CC(=CCc1ccco1)N=Nc1nnc2c3cccc(C)c3[nH]c2n1 ZINC000252600010 564121171 /nfs/dbraw/zinc/12/11/71/564121171.db2.gz DODDGSVLMJPKOV-PKMIJWEGSA-N 0 0 332.367 3.909 50 30 EHEARN CCn1c2ccccc2c2nnc(N=NCc3ccc(F)cc3)nc21 ZINC000252624639 564123173 /nfs/dbraw/zinc/12/31/73/564123173.db2.gz PSEYYEHPZGSTJK-UHFFFAOYSA-N 0 0 334.358 3.585 50 30 EHEARN Cc1ccccc1CN1C(=O)CS/C1=N/N=C/c1cccs1 ZINC000002248506 564125326 /nfs/dbraw/zinc/12/53/26/564125326.db2.gz CMINRQOYAGXENT-APBNWAIRSA-N 0 0 329.450 3.522 50 30 EHEARN N#Cc1c(Cl)csc1NC(=O)c1ccncc1Br ZINC000253426015 564131118 /nfs/dbraw/zinc/13/11/18/564131118.db2.gz XMHQBJRIEJTGLK-UHFFFAOYSA-N 0 0 342.605 3.683 50 30 EHEARN Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)c1 ZINC000077425594 564134242 /nfs/dbraw/zinc/13/42/42/564134242.db2.gz WEIBIJQIZKKMNU-GOSISDBHSA-N 0 0 334.419 3.798 50 30 EHEARN N#Cc1nc(-c2ccccc2)oc1N1CCN(c2ccccc2F)CC1 ZINC000526052525 564134530 /nfs/dbraw/zinc/13/45/30/564134530.db2.gz XWZMMLQJTRGYLS-UHFFFAOYSA-N 0 0 348.381 3.679 50 30 EHEARN CCSCc1ccccc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000328588031 564136575 /nfs/dbraw/zinc/13/65/75/564136575.db2.gz MJSNYOFNXPPLDH-MSOLQXFVSA-N 0 0 327.449 3.903 50 30 EHEARN O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc(O)c2ccccc2c1 ZINC000328588599 564136630 /nfs/dbraw/zinc/13/66/30/564136630.db2.gz JTPOSHMCPAKIKY-KRWDZBQOSA-N 0 0 335.359 3.998 50 30 EHEARN CCCC(O)(CCC)CC(=O)NCc1cccc(Cn2cncn2)c1 ZINC000328589775 564136655 /nfs/dbraw/zinc/13/66/55/564136655.db2.gz ASIYLMWPJUWHNY-UHFFFAOYSA-N 0 0 344.459 3.504 50 30 EHEARN CC(C)n1cc(Br)cc1C(=O)N(CCC#N)CC1CC1 ZINC000080027173 564139069 /nfs/dbraw/zinc/13/90/69/564139069.db2.gz PWQSZPRHROGRHG-UHFFFAOYSA-N 0 0 338.249 3.597 50 30 EHEARN Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(Br)ccc1F ZINC000096180056 564145837 /nfs/dbraw/zinc/14/58/37/564145837.db2.gz QWUQMQXMCOODCJ-DAXSKMNVSA-N 0 0 337.192 3.835 50 30 EHEARN Cc1noc(C)c1[C@H](C)NCc1ccc(C#N)cc1Br ZINC000097109852 564149446 /nfs/dbraw/zinc/14/94/46/564149446.db2.gz XLHVMCLADOEPRJ-VIFPVBQESA-N 0 0 334.217 3.776 50 30 EHEARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C#N)ccc2NC)cc1 ZINC000225553987 564149667 /nfs/dbraw/zinc/14/96/67/564149667.db2.gz GEELMCOZJAMTMB-CYBMUJFWSA-N 0 0 343.452 3.914 50 30 EHEARN COc1cccc(OC)c1C(=O)Nc1ccc(SC)c(C#N)c1 ZINC000003104729 564155145 /nfs/dbraw/zinc/15/51/45/564155145.db2.gz UZORQIBMKOILHP-UHFFFAOYSA-N 0 0 328.393 3.550 50 30 EHEARN N#Cc1ccsc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000058160546 564157798 /nfs/dbraw/zinc/15/77/98/564157798.db2.gz WVEDWAGSZATNJY-UHFFFAOYSA-N 0 0 347.443 3.937 50 30 EHEARN Cc1cc(NC(=O)[C@H](Oc2cccc(C#N)c2)c2ccccc2)no1 ZINC000058307140 564158500 /nfs/dbraw/zinc/15/85/00/564158500.db2.gz YRVQKEKOAVXLJZ-GOSISDBHSA-N 0 0 333.347 3.614 50 30 EHEARN CCOc1ccc(C#N)cc1NC(=O)N1CCC(n2cccc2)CC1 ZINC000058643809 564159503 /nfs/dbraw/zinc/15/95/03/564159503.db2.gz OIIMQJPHKPIKNR-UHFFFAOYSA-N 0 0 338.411 3.627 50 30 EHEARN CN(CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(Cl)c1 ZINC000069286869 564168744 /nfs/dbraw/zinc/16/87/44/564168744.db2.gz PZFUGSITVCQVBB-UHFFFAOYSA-N 0 0 341.842 3.719 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)CCCOCCc1ccccc1 ZINC000069432248 564169431 /nfs/dbraw/zinc/16/94/31/564169431.db2.gz NWHCYRRTZMADBD-UHFFFAOYSA-N 0 0 340.423 3.561 50 30 EHEARN C=C(Cl)CN(C(=O)c1ccc(C)[nH]c1=O)[C@@H]1CCc2ccccc21 ZINC000069534180 564170334 /nfs/dbraw/zinc/17/03/34/564170334.db2.gz WIEKWFYOEICWEO-QGZVFWFLSA-N 0 0 342.826 3.566 50 30 EHEARN N#CCCSc1ccccc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000069664756 564171380 /nfs/dbraw/zinc/17/13/80/564171380.db2.gz MZHIGXRMJXYUTM-HNNXBMFYSA-N 0 0 338.432 3.882 50 30 EHEARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NC(C)(C)C#N ZINC000077025129 564176592 /nfs/dbraw/zinc/17/65/92/564176592.db2.gz FNNVEQNJYHBLJF-UHFFFAOYSA-N 0 0 347.422 3.711 50 30 EHEARN C=CCOc1ccc(/C=C/C(=O)c2cn3ccccc3n2)cc1OC ZINC000328594246 1017961993 /nfs/dbraw/zinc/96/19/93/1017961993.db2.gz IFIKUQLOPACWFG-VQHVLOKHSA-N 0 0 334.375 3.804 50 30 EHEARN O=C(N[C@@H]1CCOc2c(F)cccc21)c1csc([C@H]2CCCO2)n1 ZINC000328768587 1018504683 /nfs/dbraw/zinc/50/46/83/1018504683.db2.gz IBPDJSXHCNPRJU-TZMCWYRMSA-N 0 0 348.399 3.962 50 30 EHEARN C=CCN1C(=O)c2ccccc2N[C@H]1/C=C\c1ccccc1[N+](=O)[O-] ZINC000096795000 1021020465 /nfs/dbraw/zinc/02/04/65/1021020465.db2.gz QHECMGJNSBCOOV-YUIUBULTSA-N 0 0 335.363 3.688 50 30 EHEARN N#CCSc1ccccc1NC(=O)CN1CCCc2ccccc21 ZINC000005898610 1027299966 /nfs/dbraw/zinc/29/99/66/1027299966.db2.gz GFIVKHQVSKFTAS-UHFFFAOYSA-N 0 0 337.448 3.694 50 30 EHEARN O=C1c2ccccc2[C@]2(c3ccccc3)O[C@]12c1ccc([N+](=O)[O-])cc1 ZINC000000270839 1029172055 /nfs/dbraw/zinc/17/20/55/1029172055.db2.gz DGMNYJRIBYGLHN-LEWJYISDSA-N 0 0 343.338 3.960 50 30 EHEARN Cn1cc(-c2cccc(-c3ccn(Cc4cccc(C#N)c4)n3)c2)cn1 ZINC000023505645 1035464856 /nfs/dbraw/zinc/46/48/56/1035464856.db2.gz BHSIGNUKVCZNAJ-UHFFFAOYSA-N 0 0 339.402 3.871 50 30 EHEARN C=CCN1c2ccccc2C(=NN=Cc2c(C)[nH]c3ccccc23)C1=O ZINC000263622146 1038017372 /nfs/dbraw/zinc/01/73/72/1038017372.db2.gz KXUPOJZFTZEPGJ-UHFFFAOYSA-N 0 0 342.402 3.832 50 30 EHEARN Cc1ccc(C(N)=O)cc1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000085275220 1127503463 /nfs/dbraw/zinc/50/34/63/1127503463.db2.gz JGXUQDHBQXLFDP-UHFFFAOYSA-N 0 0 332.325 3.576 50 30 EHEARN N#C[C@@H](NC(=O)c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000176603736 1121265806 /nfs/dbraw/zinc/26/58/06/1121265806.db2.gz NBFMQVFYRXPTOL-CQSZACIVSA-N 0 0 339.208 3.790 50 30 EHEARN COc1cc(/C=C2/c3cc(Cl)ccc3NC2=O)ccc1OCC#N ZINC000033361034 1122653392 /nfs/dbraw/zinc/65/33/92/1122653392.db2.gz QEBUMTKRNMBOIA-ZSOIEALJSA-N 0 0 340.766 3.744 50 30 EHEARN C[C@H]1CC[C@H](C)N1c1cccc2c1N(C(=O)CSCC#N)CCC2 ZINC000585124395 1137013877 /nfs/dbraw/zinc/01/38/77/1137013877.db2.gz BCHVAQCVIKLUGN-GJZGRUSLSA-N 0 0 343.496 3.600 50 30 EHEARN CCOc1ccc(C(=O)C=CNc2ccccc2C(=O)OC)cc1 ZINC000051318811 214088931 /nfs/dbraw/zinc/08/89/31/214088931.db2.gz ZAKWBCAAXFVZEI-OUKQBFOZSA-N 0 0 325.364 3.680 50 30 EHEARN N#Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 ZINC000054585868 214246233 /nfs/dbraw/zinc/24/62/33/214246233.db2.gz SXMSXODDJUYLBO-UHFFFAOYSA-N 0 0 348.431 3.656 50 30 EHEARN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N(C)C)o3)S2)cc1 ZINC000004695956 210250339 /nfs/dbraw/zinc/25/03/39/210250339.db2.gz IFJQVHDOCJUXIR-RVDMUPIBSA-N 0 0 341.436 3.800 50 30 EHEARN CNc1ncccc1C(=O)N(CC#Cc1ccccc1)C1CCCC1 ZINC000055414228 214322255 /nfs/dbraw/zinc/32/22/55/214322255.db2.gz GNJKWSNWYXDUAY-UHFFFAOYSA-N 0 0 333.435 3.560 50 30 EHEARN CCCN(CC#Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O ZINC000055414001 214322689 /nfs/dbraw/zinc/32/26/89/214322689.db2.gz BFQZECSGWWPVIV-UHFFFAOYSA-N 0 0 345.398 3.697 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@H]2c2ccccc2F)C1 ZINC000049546521 214016268 /nfs/dbraw/zinc/01/62/68/214016268.db2.gz TWRKMGXCTGABON-KRWDZBQOSA-N 0 0 336.370 3.552 50 30 EHEARN C/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)N1C ZINC000004561923 210221980 /nfs/dbraw/zinc/22/19/80/210221980.db2.gz REPMVWVFUGIWBX-FLXQFUDPSA-N 0 0 325.437 3.626 50 30 EHEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000004520098 210212050 /nfs/dbraw/zinc/21/20/50/210212050.db2.gz TYPMBCQLQGNZAL-IFXJQAMLSA-N 0 0 346.390 3.595 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1nccs1 ZINC000100591461 219102069 /nfs/dbraw/zinc/10/20/69/219102069.db2.gz OSCWTMSCOJHYOA-GCRZPWQESA-N 0 0 343.433 3.639 50 30 EHEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000100638347 219103508 /nfs/dbraw/zinc/10/35/08/219103508.db2.gz WUHRSOBXSWQABI-UHFFFAOYSA-N 0 0 336.347 3.606 50 30 EHEARN CC(C)(C)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 ZINC000004453195 210193783 /nfs/dbraw/zinc/19/37/83/210193783.db2.gz DFEBVIAXLWKOID-HNNXBMFYSA-N 0 0 341.432 3.912 50 30 EHEARN CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000004436066 210191928 /nfs/dbraw/zinc/19/19/28/210191928.db2.gz XUYVBPJHGOPBIR-INIZCTEOSA-N 0 0 340.452 3.584 50 30 EHEARN N/C(=N\O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004394094 210188012 /nfs/dbraw/zinc/18/80/12/210188012.db2.gz UTRNOVASSGSOCT-UHFFFAOYSA-N 0 0 342.138 3.788 50 30 EHEARN CN(/N=C/c1ccc(O)cc1O)c1ncc(C(F)(F)F)cc1Cl ZINC000004389858 210185990 /nfs/dbraw/zinc/18/59/90/210185990.db2.gz CTJBFHNDPIQRLQ-CGOBSMCZSA-N 0 0 345.708 3.635 50 30 EHEARN C=CCN1C[C@@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O ZINC000004385995 210185041 /nfs/dbraw/zinc/18/50/41/210185041.db2.gz YCKICRHFMWTSCM-SFHVURJKSA-N 0 0 345.446 3.895 50 30 EHEARN N#CCCN(CCc1ccccn1)C(=O)Nc1ccccc1Cl ZINC000004307712 210165836 /nfs/dbraw/zinc/16/58/36/210165836.db2.gz SOYJMVDXCHNYPL-UHFFFAOYSA-N 0 0 328.803 3.725 50 30 EHEARN N#Cc1ccc(Nc2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])c1 ZINC000048302950 213917074 /nfs/dbraw/zinc/91/70/74/213917074.db2.gz LCIRGNGRIBEUPL-MRXNPFEDSA-N 0 0 339.351 3.768 50 30 EHEARN COc1ccc(OCc2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000004223247 210147535 /nfs/dbraw/zinc/14/75/35/210147535.db2.gz DXLQVUJDEQIHOW-ZIAGYGMSSA-N 0 0 341.411 3.616 50 30 EHEARN CC(C)N1CCc2c(C#N)c(NC(=O)Cc3ccccc3)sc2C1 ZINC000004086989 210116134 /nfs/dbraw/zinc/11/61/34/210116134.db2.gz XPPSPPGPBCNVCL-UHFFFAOYSA-N 0 0 339.464 3.567 50 30 EHEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)[C@H]3CC[C@]12C ZINC000004081579 210115429 /nfs/dbraw/zinc/11/54/29/210115429.db2.gz FIHWBGCIKMXLBI-NXMWLWCLSA-N 0 0 330.468 3.696 50 30 biogenic EHEARN COC(=O)CSc1nc(-c2ccccc2)c2c(c1C#N)CCCC2 ZINC000004052144 210108702 /nfs/dbraw/zinc/10/87/02/210108702.db2.gz OJFZTSVDROEMNL-UHFFFAOYSA-N 0 0 338.432 3.764 50 30 EHEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000102599552 219213205 /nfs/dbraw/zinc/21/32/05/219213205.db2.gz GQJDMZSQIKCNMM-SELCWUDQSA-N 0 0 335.403 3.908 50 30 EHEARN C=CCn1c(S[C@@H](C)C#N)nnc1-c1ccc(Br)cc1 ZINC000003332865 210010590 /nfs/dbraw/zinc/01/05/90/210010590.db2.gz IECBUQOWOALGBW-JTQLQIEISA-N 0 0 349.257 3.898 50 30 EHEARN Cc1ccc(C(=O)C2=C(O)C(=O)O[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102895688 219238500 /nfs/dbraw/zinc/23/85/00/219238500.db2.gz GHYGNXAFGQNWRY-NHRMXYMRSA-N 0 0 328.751 3.785 50 30 EHEARN CN1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(F)cc3Cl)c12 ZINC000067755999 215205019 /nfs/dbraw/zinc/20/50/19/215205019.db2.gz PRFRLCXBYZPQBS-ZUZCIYMTSA-N 0 0 342.805 3.686 50 30 EHEARN COc1cc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc(OC)c1O ZINC000067909585 215248321 /nfs/dbraw/zinc/24/83/21/215248321.db2.gz AQPXGUUZJXIBJI-UHFFFAOYSA-N 0 0 347.374 3.592 50 30 EHEARN N#C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000068455289 215309123 /nfs/dbraw/zinc/30/91/23/215309123.db2.gz APTJMDDHHLMWTE-BXUZGUMPSA-N 0 0 327.211 3.633 50 30 EHEARN N#Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000002148001 209823978 /nfs/dbraw/zinc/82/39/78/209823978.db2.gz QMEDYKVWLKALPS-UHFFFAOYSA-N 0 0 328.176 3.633 50 30 EHEARN C#Cc1cccc(N(Cc2ccncc2)C(=O)[C@@H]2C[C@@H]2c2ccco2)c1 ZINC000069321530 215376678 /nfs/dbraw/zinc/37/66/78/215376678.db2.gz UPYYZLJOEDCADI-VQTJNVASSA-N 0 0 342.398 3.993 50 30 EHEARN Cc1nc(SCC(=O)N(C)Cc2ccccc2)c(C#N)c(C)c1C ZINC000001425198 209745288 /nfs/dbraw/zinc/74/52/88/209745288.db2.gz KXPADTXCNXARQP-UHFFFAOYSA-N 0 0 339.464 3.629 50 30 EHEARN C=CCn1c2nc3ccccc3nc2c2c1nc(C)n([C@H](C)CC)c2=O ZINC000000539400 209655274 /nfs/dbraw/zinc/65/52/74/209655274.db2.gz GDZGUUPHBBETSS-GFCCVEGCSA-N 0 0 347.422 3.760 50 30 EHEARN COc1ccc(/C=C\C(=O)c2ccccc2NC(C)=O)cc1OC ZINC000033887020 212966984 /nfs/dbraw/zinc/96/69/84/212966984.db2.gz OQOREUBRQLWDSE-NTMALXAHSA-N 0 0 325.364 3.558 50 30 EHEARN Cc1ccc(S(=O)(=O)/N=C/c2ccc(Br)cc2)cc1 ZINC000000265259 209510933 /nfs/dbraw/zinc/51/09/33/209510933.db2.gz PQUIUBJMRRZMDV-MHWRWJLKSA-N 0 0 338.226 3.565 50 30 EHEARN CCN(CC)c1ccc(/C=N/S(=O)(=O)CCc2ccccc2)cc1 ZINC000000066249 209396660 /nfs/dbraw/zinc/39/66/60/209396660.db2.gz FQGUSZGRPUMAPZ-CAPFRKAQSA-N 0 0 344.480 3.524 50 30 EHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)CC(C)C)c2)c1 ZINC000022828673 212326541 /nfs/dbraw/zinc/32/65/41/212326541.db2.gz FVKPRLUMRYHKDW-UHFFFAOYSA-N 0 0 335.403 3.858 50 30 EHEARN C=CCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(C)c1 ZINC000021658091 212237690 /nfs/dbraw/zinc/23/76/90/212237690.db2.gz RUJLGJFGLKKMLO-UHFFFAOYSA-N 0 0 347.418 3.953 50 30 EHEARN Cc1ccsc1[C@H]1Nc2nonc2N=C2CC(C)(C)CC(=O)C21 ZINC000021147010 212210910 /nfs/dbraw/zinc/21/09/10/212210910.db2.gz WOIIICVXYWHODX-LBPRGKRZSA-N 0 0 330.413 3.661 50 30 EHEARN CN1C(=O)c2ccccc2NC12CCC(C#N)(c1ccccc1)CC2 ZINC000020936301 212192093 /nfs/dbraw/zinc/19/20/93/212192093.db2.gz KOYHBXNTDFWRRU-UHFFFAOYSA-N 0 0 331.419 3.916 50 30 EHEARN O=C(/C=C/c1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000020621249 212156829 /nfs/dbraw/zinc/15/68/29/212156829.db2.gz NERIHJLKSQZJLW-XBXARRHUSA-N 0 0 346.386 3.930 50 30 EHEARN N#Cc1c(N)nc2c(c1-c1ccc(Br)cc1)CCCC2 ZINC000020478926 212135398 /nfs/dbraw/zinc/13/53/98/212135398.db2.gz UTVTWZOGZWGMNR-UHFFFAOYSA-N 0 0 328.213 3.844 50 30 EHEARN CSc1nc(NC[C@@H]2CCCO2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820741 212071730 /nfs/dbraw/zinc/07/17/30/212071730.db2.gz FHHRLNPSVDOSIN-AWEZNQCLSA-N 0 0 340.452 3.637 50 30 EHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc2ccccc21 ZINC000019731364 212058778 /nfs/dbraw/zinc/05/87/78/212058778.db2.gz IDPZWVFBLJIPCY-HXUWFJFHSA-N 0 0 347.414 3.981 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000019314861 212013821 /nfs/dbraw/zinc/01/38/21/212013821.db2.gz KHAVUVLSKFFNKD-QGZVFWFLSA-N 0 0 345.826 3.871 50 30 EHEARN C/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1C1CCCCC1 ZINC000017084806 211954214 /nfs/dbraw/zinc/95/42/14/211954214.db2.gz SLJOLCMVKXJWGQ-UGZHYMOWSA-N 0 0 346.452 3.636 50 30 EHEARN C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccc(Cl)s1 ZINC000082146318 217477092 /nfs/dbraw/zinc/47/70/92/217477092.db2.gz ZQHNZSFTGQXXJS-GFCCVEGCSA-N 0 0 345.855 3.510 50 30 EHEARN COCCN1C(=O)CS/C1=N\c1ccccc1Oc1ccccc1 ZINC000013960883 211662184 /nfs/dbraw/zinc/66/21/84/211662184.db2.gz PUOXFGZBTWGYGG-HNENSFHCSA-N 0 0 342.420 3.688 50 30 EHEARN C#CCN(CC1CC1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000089261595 217779568 /nfs/dbraw/zinc/77/95/68/217779568.db2.gz HZGUJRJALJFMJF-UHFFFAOYSA-N 0 0 330.387 3.980 50 30 EHEARN CCc1nc2n(n1)CCC[C@@H]2Nc1ccc(C(F)(F)F)cc1C#N ZINC000089295934 217783517 /nfs/dbraw/zinc/78/35/17/217783517.db2.gz JKRPHXYDVLZAFJ-ZDUSSCGKSA-N 0 0 335.333 3.678 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccs1 ZINC000012981797 211499133 /nfs/dbraw/zinc/49/91/33/211499133.db2.gz HZMQPUAZJMJIHU-LLVKDONJSA-N 0 0 325.393 3.803 50 30 EHEARN COc1ccc2c(c1)C(=O)/C(=C\c1c(C)nc3sc(C)cn13)CO2 ZINC000012525568 211399501 /nfs/dbraw/zinc/39/95/01/211399501.db2.gz VUEUNWXXHGHZJB-SDQBBNPISA-N 0 0 340.404 3.680 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccccc2Cl)C1 ZINC000012406542 211370583 /nfs/dbraw/zinc/37/05/83/211370583.db2.gz VLIZICOBHWWPIK-CQSZACIVSA-N 0 0 344.802 3.945 50 30 EHEARN CC#CCN(Cc1ccco1)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000012316571 211343735 /nfs/dbraw/zinc/34/37/35/211343735.db2.gz GCPHTWPCNYKAQP-UHFFFAOYSA-N 0 0 341.361 3.973 50 30 EHEARN Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000009133967 211043556 /nfs/dbraw/zinc/04/35/56/211043556.db2.gz PMLANVSHZPVQJP-XXFAHNHDSA-N 0 0 328.803 3.508 50 30 EHEARN O=C1NC(=NN=Cc2ccco2)S[C@H]1Cc1ccccc1Cl ZINC000009109406 211040907 /nfs/dbraw/zinc/04/09/07/211040907.db2.gz VZJSWUICVIGNNI-YRUBURHZSA-N 0 0 333.800 3.938 50 30 EHEARN N#CCc1cccc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)c1 ZINC000095415827 218353801 /nfs/dbraw/zinc/35/38/01/218353801.db2.gz GOIRRISXTSUQRZ-UHFFFAOYSA-N 0 0 346.308 3.811 50 30 EHEARN CCc1ccccc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000006647146 210667940 /nfs/dbraw/zinc/66/79/40/210667940.db2.gz NTSDPWRXWYHGFA-PKNBQFBNSA-N 0 0 336.391 3.812 50 30 EHEARN CC(=O)/C(=C\c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006046117 210581096 /nfs/dbraw/zinc/58/10/96/210581096.db2.gz SENYCHCDVWNMKT-XNTDXEJSSA-N 0 0 344.754 3.859 50 30 EHEARN C=CCSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 ZINC000006023656 210578332 /nfs/dbraw/zinc/57/83/32/210578332.db2.gz JBNJMOHTEBRTJV-UHFFFAOYSA-N 0 0 344.461 3.860 50 30 EHEARN Cc1ccc(C(=O)ONC(=N)c2ccc(Br)cc2)c(C)c1 ZINC000005059495 210378937 /nfs/dbraw/zinc/37/89/37/210378937.db2.gz ZXJQXCBFMVSPSG-UHFFFAOYSA-N 0 0 347.212 3.543 50 30 EHEARN CSc1nc2n(n1)[C@H](c1sccc1C)C1C(=O)C[C@H](C)CC1=N2 ZINC000004998968 210356117 /nfs/dbraw/zinc/35/61/17/210356117.db2.gz NSNPHWHPWDWBRF-OQPBUACISA-N 0 0 346.481 3.638 50 30 EHEARN CCN(CC)C(=O)c1cn(CCC#N)nc1-c1cccc(Cl)c1 ZINC000005000328 210355274 /nfs/dbraw/zinc/35/52/74/210355274.db2.gz JNQCCXYSTGWXHP-UHFFFAOYSA-N 0 0 330.819 3.599 50 30 EHEARN CC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000004898149 210316013 /nfs/dbraw/zinc/31/60/13/210316013.db2.gz FQRPOUBLXAAISR-OEEIJACASA-N 0 0 327.409 3.524 50 30 EHEARN CC(C)(C#N)C(=O)NCc1ccc(OCc2ccccc2F)cc1 ZINC000184302877 257952986 /nfs/dbraw/zinc/95/29/86/257952986.db2.gz XAGFAHXDFPZEQP-UHFFFAOYSA-N 0 0 326.371 3.571 50 30 EHEARN C[C@H]1CCC[C@H](OCc2nnc(COc3ccc(C#N)cc3)o2)C1 ZINC000521393736 257948503 /nfs/dbraw/zinc/94/85/03/257948503.db2.gz QXYDBCLCOQAIIR-BBRMVZONSA-N 0 0 327.384 3.616 50 30 EHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(OC)c1 ZINC000006730615 258044409 /nfs/dbraw/zinc/04/44/09/258044409.db2.gz QUXNTWGPGUMVAB-UHFFFAOYSA-N 0 0 349.390 3.574 50 30 EHEARN N#C[C@@H](C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc2ccccc2[nH]1 ZINC000408513923 257984468 /nfs/dbraw/zinc/98/44/68/257984468.db2.gz GYHYOWKIFZLUEK-SJORKVTESA-N 0 0 345.402 3.947 50 30 EHEARN C=CCOc1ccccc1NC(=O)N1CCCC2(CCOCC2)C1 ZINC000299757950 258010574 /nfs/dbraw/zinc/01/05/74/258010574.db2.gz IRUUAMAPEKKVLN-UHFFFAOYSA-N 0 0 330.428 3.676 50 30 EHEARN C=CCOc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000008037724 258018111 /nfs/dbraw/zinc/01/81/11/258018111.db2.gz WBSFJZQAUNDOCN-KRWDZBQOSA-N 0 0 338.451 3.561 50 30 EHEARN CC(C)C[C@@H]1COCCN1C(=O)c1cccc(-c2cccnc2C#N)c1 ZINC000299793310 258098926 /nfs/dbraw/zinc/09/89/26/258098926.db2.gz IMODMMKHJFFUMM-GOSISDBHSA-N 0 0 349.434 3.507 50 30 EHEARN N#CCc1ccc(OS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000002170036 258049702 /nfs/dbraw/zinc/04/97/02/258049702.db2.gz NGZOILUZZNNHOC-UHFFFAOYSA-N 0 0 342.203 3.827 50 30 EHEARN C[C@H](OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000006490891 258052042 /nfs/dbraw/zinc/05/20/42/258052042.db2.gz ICAOLKWEOBOGTD-JTQLQIEISA-N 0 0 336.800 3.683 50 30 EHEARN CCN(CC)c1ccc(CN=Nc2nncc(-c3ccccc3)n2)cc1 ZINC000013476677 258056141 /nfs/dbraw/zinc/05/61/41/258056141.db2.gz KZQDNMZLXPOPEF-KGENOOAVSA-N 0 0 346.438 3.831 50 30 EHEARN Cc1sc2[nH]c([C@@H](C)Nc3ccc(CC#N)cc3)nc(=O)c2c1C ZINC000012743493 518194504 /nfs/dbraw/zinc/19/45/04/518194504.db2.gz XDERMPXHXCWWBZ-LLVKDONJSA-N 0 0 338.436 3.841 50 30 EHEARN C/C(=N\N[C@H](C)Oc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000043761333 518462735 /nfs/dbraw/zinc/46/27/35/518462735.db2.gz WEANHXFTQBSFOK-ZXOFLVKFSA-N 0 0 339.395 3.822 50 30 EHEARN C=C(C)CN(CC)C(=O)c1coc(COc2cccc(F)c2F)n1 ZINC000014973081 518597482 /nfs/dbraw/zinc/59/74/82/518597482.db2.gz PLCNHSVFWGUTDI-UHFFFAOYSA-N 0 0 336.338 3.570 50 30 EHEARN C=CCN(C(=O)CN1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000003310838 518732238 /nfs/dbraw/zinc/73/22/38/518732238.db2.gz NVDCYBFCTLCDPW-UHFFFAOYSA-N 0 0 341.480 3.815 50 30 EHEARN C=CCNC(=O)c1ccc(COc2ccccc2Br)o1 ZINC000028234028 518933632 /nfs/dbraw/zinc/93/36/32/518933632.db2.gz POGOXSZYJWAGII-UHFFFAOYSA-N 0 0 336.185 3.537 50 30 EHEARN CC1=C(C(=O)C=Cc2ccccc2C(F)(F)F)[C@H](C)N2NN=NC2=N1 ZINC000328589744 520790689 /nfs/dbraw/zinc/79/06/89/520790689.db2.gz SCWXXEWLJXIDCN-JARNTUPDSA-N 0 0 349.316 3.507 50 30 EHEARN CCOC(=O)c1ccc(NC=CC(=O)c2cccc(OC)c2)cc1 ZINC000004817357 521483392 /nfs/dbraw/zinc/48/33/92/521483392.db2.gz NHAUIDHDPPKHGI-QXMHVHEDSA-N 0 0 325.364 3.680 50 30 EHEARN COc1cc(/C=C\C(=O)c2cccnc2)cc(OC)c1OC(F)F ZINC000096766376 521985074 /nfs/dbraw/zinc/98/50/74/521985074.db2.gz QLSOISFHYCVTLU-WAYWQWQTSA-N 0 0 335.306 3.596 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cccs1 ZINC000018128747 524034694 /nfs/dbraw/zinc/03/46/94/524034694.db2.gz JOPOESGJIFGXTQ-BOPFTXTBSA-N 0 0 341.432 3.786 50 30 EHEARN C[C@@H](CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000058267074 524397825 /nfs/dbraw/zinc/39/78/25/524397825.db2.gz MSZGCAHNEVJMDJ-XJKSGUPXSA-N 0 0 340.402 3.514 50 30 EHEARN Cn1nccc1[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)s1 ZINC000328587069 527623894 /nfs/dbraw/zinc/62/38/94/527623894.db2.gz NAUUFQYNMKHNDK-ZDUSSCGKSA-N 0 0 338.864 3.776 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1 ZINC000000083847 563219250 /nfs/dbraw/zinc/21/92/50/563219250.db2.gz MCTJQEOPGUGPFG-QGZVFWFLSA-N 0 0 325.339 3.623 50 30 EHEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000002057140 563420114 /nfs/dbraw/zinc/42/01/14/563420114.db2.gz ZYKGNZXVAPOIDK-LJQANCHMSA-N 0 0 339.435 3.998 50 30 EHEARN COc1ccc(CNc2ccc(C#N)c(Cl)c2)c(OC)c1OC ZINC000071894944 563491731 /nfs/dbraw/zinc/49/17/31/563491731.db2.gz YCEFJVRFWSEFCF-UHFFFAOYSA-N 0 0 332.787 3.850 50 30 EHEARN Cc1ccc(C(=N)NOC(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000008536250 563631914 /nfs/dbraw/zinc/63/19/14/563631914.db2.gz CDEMQMGQGQBASC-UHFFFAOYSA-N 0 0 328.387 3.909 50 30 EHEARN CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Br)cc1 ZINC000032615449 563665598 /nfs/dbraw/zinc/66/55/98/563665598.db2.gz UAZMHXWPGJIXLX-UHFFFAOYSA-N 0 0 343.224 3.522 50 30 EHEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000013124488 563689136 /nfs/dbraw/zinc/68/91/36/563689136.db2.gz CWUNNMNOQCOWFB-FZKQIMNGSA-N 0 0 348.431 3.755 50 30 EHEARN CCN(CC)C(=O)CSc1nc(-c2cccs2)cc(C)c1C#N ZINC000013208370 563692083 /nfs/dbraw/zinc/69/20/83/563692083.db2.gz BJZJXUXBQYUKKC-UHFFFAOYSA-N 0 0 345.493 3.951 50 30 EHEARN Brc1ccccc1/C=N\N1CCN(c2ccccc2)CC1 ZINC000013942376 563731812 /nfs/dbraw/zinc/73/18/12/563731812.db2.gz GNCRFLMXMMPGNY-RGEXLXHISA-N 0 0 344.256 3.605 50 30 EHEARN O=C(NCC#Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000032802883 563738815 /nfs/dbraw/zinc/73/88/15/563738815.db2.gz BCCLADANTWCNLT-UHFFFAOYSA-N 0 0 332.447 3.702 50 30 EHEARN COc1cc(/C=N/O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000016195576 563805611 /nfs/dbraw/zinc/80/56/11/563805611.db2.gz FOZHBGNUTHUXLP-CAOOACKPSA-N 0 0 336.731 3.644 50 30 EHEARN CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000016741474 563822224 /nfs/dbraw/zinc/82/22/24/563822224.db2.gz UOAJUQBJEBXSGK-OAHLLOKOSA-N 0 0 327.405 3.736 50 30 EHEARN C[C@@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccccc2)C1 ZINC000016956958 563827232 /nfs/dbraw/zinc/82/72/32/563827232.db2.gz HPHLQXGLDTWYKJ-XPTSAGLGSA-N 0 0 348.328 3.565 50 30 EHEARN Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1C ZINC000018089874 563848210 /nfs/dbraw/zinc/84/82/10/563848210.db2.gz UZQJFTHJTGKTAG-LVZFUZTISA-N 0 0 339.416 3.542 50 30 EHEARN C=CC[C@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccncc1 ZINC000069847202 563860023 /nfs/dbraw/zinc/86/00/23/563860023.db2.gz OVYQMFZZZPLVIG-IBGZPJMESA-N 0 0 349.434 3.646 50 30 EHEARN CCN(C[C@H](C)C#N)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000069898631 563870184 /nfs/dbraw/zinc/87/01/84/563870184.db2.gz HLDCOVCLIRXKAD-MRXNPFEDSA-N 0 0 349.434 3.585 50 30 EHEARN COc1cccc(/C(C)=N/N2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000025329319 563883215 /nfs/dbraw/zinc/88/32/15/563883215.db2.gz COQZFDSUTKVCBE-RELWKKBWSA-N 0 0 337.467 3.545 50 30 EHEARN O=[N+]([O-])c1ccc(-c2cnc(N=NCc3ccc(F)cc3)nc2)cc1 ZINC000033391799 563916042 /nfs/dbraw/zinc/91/60/42/563916042.db2.gz PJCZXZYUZNOWNO-NKVSQWTQSA-N 0 0 337.314 3.637 50 30 EHEARN CCc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(OC)cc1OC ZINC000057523435 563935568 /nfs/dbraw/zinc/93/55/68/563935568.db2.gz BVFUAADRNMWMNH-MRXNPFEDSA-N 0 0 338.407 3.587 50 30 EHEARN Cc1cc(C(=O)N2CCC(C#N)CC2)c(C)n1Cc1cccs1 ZINC000058430983 563946242 /nfs/dbraw/zinc/94/62/42/563946242.db2.gz VDGFKARJCFSJEO-UHFFFAOYSA-N 0 0 327.453 3.591 50 30 EHEARN COc1ccccc1[C@@H](C#N)NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000096451248 563953788 /nfs/dbraw/zinc/95/37/88/563953788.db2.gz IPVPVAFKABHMQK-CZUORRHYSA-N 0 0 334.375 3.926 50 30 EHEARN N#Cc1cccc(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 ZINC000096467327 563954376 /nfs/dbraw/zinc/95/43/76/563954376.db2.gz NDFBXEKTVNRGSJ-UHFFFAOYSA-N 0 0 327.796 3.740 50 30 EHEARN C=CCN(C(=O)c1cccc(OC)c1)c1nc2c(s1)CCCC2 ZINC000060387900 563955036 /nfs/dbraw/zinc/95/50/36/563955036.db2.gz PEUDBYISMGFIQX-UHFFFAOYSA-N 0 0 328.437 3.863 50 30 EHEARN CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCC2 ZINC000000084273 563975022 /nfs/dbraw/zinc/97/50/22/563975022.db2.gz LBFMQHSPYXXDMO-UHFFFAOYSA-N 0 0 340.404 3.537 50 30 EHEARN COCCOc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000044027715 563980812 /nfs/dbraw/zinc/98/08/12/563980812.db2.gz MCGBLJQXSRPBGK-DHZHZOJOSA-N 0 0 327.336 3.516 50 30 EHEARN COc1ccc(OCc2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000000108324 563986593 /nfs/dbraw/zinc/98/65/93/563986593.db2.gz DXLQVUJDEQIHOW-KBPBESRZSA-N 0 0 341.411 3.616 50 30 EHEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000408513712 563992772 /nfs/dbraw/zinc/99/27/72/563992772.db2.gz RSLOYLFFEFHEHG-DLBZAZTESA-N 0 0 345.402 3.567 50 30 EHEARN Cc1csc([C@@H](C#N)C(=O)c2cccc(OCc3cccnc3)c2)n1 ZINC000073087273 563994782 /nfs/dbraw/zinc/99/47/82/563994782.db2.gz ZQFMKYWHLFSDNW-KRWDZBQOSA-N 0 0 349.415 3.916 50 30 EHEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000252491428 563997788 /nfs/dbraw/zinc/99/77/88/563997788.db2.gz LMIPLPGKECCNOY-PWSUYJOCSA-N 0 0 326.227 3.556 50 30 EHEARN COC(=O)c1ccc(CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000005172560 563999915 /nfs/dbraw/zinc/99/99/15/563999915.db2.gz RXJBGHWCEKMKPI-UHFFFAOYSA-N 0 0 326.421 3.957 50 30 EHEARN C=C(C)COc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1C ZINC000000489043 564017398 /nfs/dbraw/zinc/01/73/98/564017398.db2.gz BPRLBCVARDMOFR-UHFFFAOYSA-N 0 0 344.407 3.860 50 30 biogenic EHEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCCC3)sc2C1 ZINC000002487578 564017684 /nfs/dbraw/zinc/01/76/84/564017684.db2.gz LOMIKQNMGVLLCU-CYBMUJFWSA-N 0 0 345.512 3.805 50 30 EHEARN O=C(C(=CNc1ccc(F)cc1)C(=O)C(F)(F)F)c1ccco1 ZINC000102625218 564020413 /nfs/dbraw/zinc/02/04/13/564020413.db2.gz LSZMSHIVQKZJPT-DHZHZOJOSA-N 0 0 327.233 3.729 50 30 EHEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Cl)ccc1O ZINC000000523490 564021160 /nfs/dbraw/zinc/02/11/60/564021160.db2.gz BYIKYVKWIDAISU-RGVLZGJSSA-N 0 0 341.798 3.590 50 30 EHEARN C=CCn1c2ncn(CCC(C)C)c(=O)c2c2nc3ccccc3nc21 ZINC000000538989 564022214 /nfs/dbraw/zinc/02/22/14/564022214.db2.gz IMBVZQVNFLJRGO-UHFFFAOYSA-N 0 0 347.422 3.527 50 30 EHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CC)s1 ZINC000103504722 564022559 /nfs/dbraw/zinc/02/25/59/564022559.db2.gz FEHGSCMBJHNWNV-CYBMUJFWSA-N 0 0 342.420 3.670 50 30 EHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1F ZINC000000545917 564022699 /nfs/dbraw/zinc/02/26/99/564022699.db2.gz HCLWRJCRCQOIRM-KRWDZBQOSA-N 0 0 325.339 3.623 50 30 EHEARN Cn1ccnc1[C@H](C(=O)C=Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000104227501 564023778 /nfs/dbraw/zinc/02/37/78/564023778.db2.gz PEWGPYQJWZMMTM-UZRURVBFSA-N 0 0 348.377 3.808 50 30 EHEARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1C#N ZINC000047157789 564025785 /nfs/dbraw/zinc/02/57/85/564025785.db2.gz FOYIKNCKGJWIJX-UHFFFAOYSA-N 0 0 332.363 3.730 50 30 EHEARN N#CCCN(C(=O)CN1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000046089324 564029551 /nfs/dbraw/zinc/02/95/51/564029551.db2.gz YQBITHXWBDFQKJ-SFHVURJKSA-N 0 0 339.464 3.832 50 30 EHEARN Cc1noc(CN(CCc2cccs2)Cc2cccc(C#N)c2)n1 ZINC000048301617 564030839 /nfs/dbraw/zinc/03/08/39/564030839.db2.gz UXGNMMWFOADFSI-UHFFFAOYSA-N 0 0 338.436 3.556 50 30 EHEARN CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1cccc2cccnc21 ZINC000048354520 564031334 /nfs/dbraw/zinc/03/13/34/564031334.db2.gz VIDNUSWPXYDOLR-LICLKQGHSA-N 0 0 340.448 3.767 50 30 EHEARN C=CCNC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000115770480 564035820 /nfs/dbraw/zinc/03/58/20/564035820.db2.gz XMVWFADFYHRWPV-UHFFFAOYSA-N 0 0 329.787 3.900 50 30 EHEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccc(OC)cc2)cc1 ZINC000000437582 564036680 /nfs/dbraw/zinc/03/66/80/564036680.db2.gz RHJRSTZZBCZTOX-OUKQBFOZSA-N 0 0 325.364 3.680 50 30 EHEARN CC(C)Cc1ccc(C#N)c(SCC(=O)Nc2ccccc2)n1 ZINC000001010225 564054073 /nfs/dbraw/zinc/05/40/73/564054073.db2.gz FFBIASISSSSUFK-UHFFFAOYSA-N 0 0 325.437 3.883 50 30 EHEARN N#Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1 ZINC000001010360 564054104 /nfs/dbraw/zinc/05/41/04/564054104.db2.gz LHABAQTZLISFIR-UHFFFAOYSA-N 0 0 348.431 3.881 50 30 EHEARN N#Cc1ccsc1NC(=O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000025443079 564054362 /nfs/dbraw/zinc/05/43/62/564054362.db2.gz ICENNYVFYUGDGX-HNNXBMFYSA-N 0 0 329.400 3.534 50 30 EHEARN CCOc1ccc(C2N=NC(=S)N2N=Cc2cccs2)cc1 ZINC000005906668 564056910 /nfs/dbraw/zinc/05/69/10/564056910.db2.gz VLWGWGLKFAPMSI-MHWRWJLKSA-N 0 0 330.438 3.576 50 30 EHEARN N#Cc1ccc(OCc2nc(Cc3ccccc3)no2)c(Cl)c1 ZINC000031653799 564057892 /nfs/dbraw/zinc/05/78/92/564057892.db2.gz ZEYRRBTTZFEKEU-UHFFFAOYSA-N 0 0 325.755 3.764 50 30 EHEARN COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3ccccn3)ccc21 ZINC000078411038 564061977 /nfs/dbraw/zinc/06/19/77/564061977.db2.gz LLKQXQAMNLMQTH-SFHVURJKSA-N 0 0 347.418 3.790 50 30 EHEARN CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1C#N ZINC000015446373 564062105 /nfs/dbraw/zinc/06/21/05/564062105.db2.gz NPCZERMHYJYNSI-UHFFFAOYSA-N 0 0 347.340 3.648 50 30 EHEARN CCOC(=O)C(=NNc1ccccc1C)C(=O)CCc1ccccc1 ZINC000004567084 564063444 /nfs/dbraw/zinc/06/34/44/564063444.db2.gz ACQUJJVVRKTRET-QOCHGBHMSA-N 0 0 338.407 3.528 50 30 EHEARN C=CCn1c2ccccc2nc1-c1nccn1[C@H]1CCc2n[nH]cc2C1 ZINC000077437719 564064467 /nfs/dbraw/zinc/06/44/67/564064467.db2.gz YRNHMPYSDSSGPH-HNNXBMFYSA-N 0 0 344.422 3.539 50 30 EHEARN C#CCN(Cc1ccc(C)cc1)C(=O)c1cc(Cl)ccc1OC ZINC000060102289 564065528 /nfs/dbraw/zinc/06/55/28/564065528.db2.gz QGMLOAFHEJJYRQ-UHFFFAOYSA-N 0 0 327.811 3.933 50 30 EHEARN C=CCOc1cccc(NC(=O)N[C@@H]2COC3(C2)CCCCC3)c1 ZINC000096149303 564066568 /nfs/dbraw/zinc/06/65/68/564066568.db2.gz YYBNNNBSDZDBFK-INIZCTEOSA-N 0 0 330.428 3.865 50 30 EHEARN C#C[C@@](C)(CC)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000001424338 564066743 /nfs/dbraw/zinc/06/67/43/564066743.db2.gz ABWXAKMHJTYRRS-INIZCTEOSA-N 0 0 338.190 3.632 50 30 EHEARN Cc1nnc(-c2cccc(C(=O)O[C@H](C)c3cccc(C#N)c3)c2)o1 ZINC000084291705 564067691 /nfs/dbraw/zinc/06/76/91/564067691.db2.gz PMIFKJITWWBIBT-GFCCVEGCSA-N 0 0 333.347 3.835 50 30 EHEARN CN(CCC#N)C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 ZINC000085559970 564074027 /nfs/dbraw/zinc/07/40/27/564074027.db2.gz RQFLQUONGMVEMQ-UHFFFAOYSA-N 0 0 346.387 3.517 50 30 EHEARN C=CCN(CC=C)C(=O)COc1ccc(Cl)cc1Br ZINC000000615445 564074645 /nfs/dbraw/zinc/07/46/45/564074645.db2.gz VAWINIIKFQUKDU-UHFFFAOYSA-N 0 0 344.636 3.682 50 30 EHEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(Br)c1 ZINC000013011503 564086738 /nfs/dbraw/zinc/08/67/38/564086738.db2.gz CEIFDKOGMTZZPN-NSHDSACASA-N 0 0 345.196 3.727 50 30 EHEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000266439376 564087025 /nfs/dbraw/zinc/08/70/25/564087025.db2.gz OTFXEUSTEDYQTD-STQMWFEESA-N 0 0 343.456 3.697 50 30 EHEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccccc2Cl)cc1 ZINC000239119552 564088002 /nfs/dbraw/zinc/08/80/02/564088002.db2.gz IUXIRUKUSAUYII-UHFFFAOYSA-N 0 0 344.827 3.778 50 30 EHEARN CCOC(=O)[C@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000064438689 564091297 /nfs/dbraw/zinc/09/12/97/564091297.db2.gz LZGQZOKFMDCXIL-LBPRGKRZSA-N 0 0 343.814 3.539 50 30 EHEARN COC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCCC2 ZINC000002030129 564091401 /nfs/dbraw/zinc/09/14/01/564091401.db2.gz CBOUGPZPVCGLKK-UHFFFAOYSA-N 0 0 338.432 3.764 50 30 EHEARN CCN(CC)c1ccc(NC(=O)COc2ccc(C#N)cc2)c(C)c1 ZINC000006701083 564096211 /nfs/dbraw/zinc/09/62/11/564096211.db2.gz HKHUUMKATAQLDV-UHFFFAOYSA-N 0 0 337.423 3.730 50 30 EHEARN CSc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)ccc1F ZINC000155567020 564098558 /nfs/dbraw/zinc/09/85/58/564098558.db2.gz GPBODAPRMUSUNH-CQSZACIVSA-N 0 0 342.395 3.817 50 30 EHEARN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000007090750 564104852 /nfs/dbraw/zinc/10/48/52/564104852.db2.gz PJTYTTWPGHLLGL-LBPRGKRZSA-N 0 0 340.345 3.815 50 30 EHEARN Cc1nn(Cc2ccccc2Oc2ccccc2)c(=O)c(C#N)c1C ZINC000007384939 564107668 /nfs/dbraw/zinc/10/76/68/564107668.db2.gz SPXXZJBDCMBWGC-UHFFFAOYSA-N 0 0 331.375 3.572 50 30 EHEARN CCCc1nc(CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)cs1 ZINC000065623908 564108546 /nfs/dbraw/zinc/10/85/46/564108546.db2.gz UUPWZWRQRODYET-CHHVJCJISA-N 0 0 338.498 3.628 50 30 EHEARN Fc1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)cc2)cc1 ZINC000005996699 564112918 /nfs/dbraw/zinc/11/29/18/564112918.db2.gz SYFVMNZYRSKJER-GIJQJNRQSA-N 0 0 332.791 3.909 50 30 EHEARN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000089962809 564115920 /nfs/dbraw/zinc/11/59/20/564115920.db2.gz IQFWSCVDEPVOCF-UHFFFAOYSA-N 0 0 331.734 3.561 50 30 EHEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000252459934 564118633 /nfs/dbraw/zinc/11/86/33/564118633.db2.gz AHVCEGBXANWKRA-UHFFFAOYSA-N 0 0 328.372 3.593 50 30 EHEARN C#Cc1cccc(N(Cc2ccncc2)C(=O)Cc2ccc(C)nc2)c1 ZINC000193550932 564119677 /nfs/dbraw/zinc/11/96/77/564119677.db2.gz JECSLCMUCLEBPR-UHFFFAOYSA-N 0 0 341.414 3.542 50 30 EHEARN C[C@@H](CC#N)NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194113651 564120375 /nfs/dbraw/zinc/12/03/75/564120375.db2.gz KQJQEQINFORVTR-ZETCQYMHSA-N 0 0 337.248 3.730 50 30 EHEARN Cc1nc2ccccc2n1C1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000373701239 564121391 /nfs/dbraw/zinc/12/13/91/564121391.db2.gz LGKLDCBUIFNVMS-UHFFFAOYSA-N 0 0 341.418 3.930 50 30 EHEARN CC(C)c1ccc(CN(CC(=O)NC2(C#N)CCCC2)C2CC2)cc1 ZINC000007797763 564123459 /nfs/dbraw/zinc/12/34/59/564123459.db2.gz FNGFNCGILFARHL-UHFFFAOYSA-N 0 0 339.483 3.727 50 30 EHEARN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000071769804 564129467 /nfs/dbraw/zinc/12/94/67/564129467.db2.gz YUMWOIMGKYOLOA-VTPPTGSRSA-N 0 0 334.431 3.540 50 30 EHEARN O=C(C=C1NC[C@H](c2ccccc2)O1)c1ccc(Br)cc1 ZINC000004179546 564130084 /nfs/dbraw/zinc/13/00/84/564130084.db2.gz MSNXVVAKZDTMJS-FCNRDGCESA-N 0 0 344.208 3.834 50 30 EHEARN CCOCC1(CNC(=O)c2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC000426588905 564135098 /nfs/dbraw/zinc/13/50/98/564135098.db2.gz IDCWUHOPZXJACX-UHFFFAOYSA-N 0 0 334.419 3.772 50 30 EHEARN CCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccc(C#N)nc3)c2)C1 ZINC000534591486 564135986 /nfs/dbraw/zinc/13/59/86/564135986.db2.gz QEIMBFOZEZIDMW-FQEVSTJZSA-N 0 0 349.434 3.651 50 30 EHEARN Cc1nc2c3ccccc3nc(SCc3cccc(C#N)c3)n2n1 ZINC000013229609 564136165 /nfs/dbraw/zinc/13/61/65/564136165.db2.gz FVAMAGLFINHTAE-UHFFFAOYSA-N 0 0 331.404 3.750 50 30 EHEARN N#CC1(C(=O)NCc2nc(-c3ccccc3F)cs2)CCCC1 ZINC000278984834 564139127 /nfs/dbraw/zinc/13/91/27/564139127.db2.gz PSTBUMRTHMXKRE-UHFFFAOYSA-N 0 0 329.400 3.649 50 30 EHEARN C=CCCC(=O)N(CC)[C@@H](c1cccnc1)c1ccc2c(c1)CCO2 ZINC000095396139 564139481 /nfs/dbraw/zinc/13/94/81/564139481.db2.gz OSHRFBDRINDNIP-OAQYLSRUSA-N 0 0 336.435 3.921 50 30 EHEARN COc1cc(C(=O)/C=C/C=C\c2ccccc2)ccc1S(C)(=O)=O ZINC000096187984 564145894 /nfs/dbraw/zinc/14/58/94/564145894.db2.gz WMHNBXAEEFVQST-NAKBGQTNSA-N 0 0 342.416 3.551 50 30 EHEARN COc1cc(/C=C\C(=O)c2ccc3c(c2)CC(=O)N3)ccc1SC ZINC000096313943 564146734 /nfs/dbraw/zinc/14/67/34/564146734.db2.gz OYLHSGPZYJLIRH-CLTKARDFSA-N 0 0 339.416 3.808 50 30 EHEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCCCn1ccnc1 ZINC000096346250 564146873 /nfs/dbraw/zinc/14/68/73/564146873.db2.gz BVJCPUOLMPKJCZ-HOTGVXAUSA-N 0 0 333.395 3.516 50 30 EHEARN N#Cc1ccc(OC2CCN(Cc3ccncc3Cl)CC2)cc1 ZINC000096445713 564148178 /nfs/dbraw/zinc/14/81/78/564148178.db2.gz YQXZMAJKEPHMAX-UHFFFAOYSA-N 0 0 327.815 3.650 50 30 EHEARN CC1(C)C[C@H](C(=O)N2CCc3c2cccc3C#N)c2ccccc2O1 ZINC000591524064 564152887 /nfs/dbraw/zinc/15/28/87/564152887.db2.gz GEMSUIFPZAGDHS-KRWDZBQOSA-N 0 0 332.403 3.792 50 30 EHEARN Cc1cccc2cc3cc(C#N)c4nc5ccccc5c(=O)n4c3nc12 ZINC000003182759 564155764 /nfs/dbraw/zinc/15/57/64/564155764.db2.gz XESHKKVGOFIWIB-UHFFFAOYSA-N 0 0 336.354 3.729 50 30 EHEARN N#Cc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000008325799 564164428 /nfs/dbraw/zinc/16/44/28/564164428.db2.gz CSPFHWYNYNLPIZ-UHFFFAOYSA-N 0 0 339.738 3.619 50 30 EHEARN Cc1c([C@@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc(C#N)n1C ZINC000008721452 564166939 /nfs/dbraw/zinc/16/69/39/564166939.db2.gz WHVWEIXDLQGYCI-LJQANCHMSA-N 0 0 334.423 3.714 50 30 EHEARN Cc1nc(C2(NCc3cc(C#N)ccc3F)CCCCCC2)no1 ZINC000069769741 564172007 /nfs/dbraw/zinc/17/20/07/564172007.db2.gz DVHCBJHQKJHOBH-UHFFFAOYSA-N 0 0 328.391 3.728 50 30 EHEARN N#CC1CCN(C(=O)NCc2cccc(Oc3ccccc3)c2)CC1 ZINC000071857283 564176114 /nfs/dbraw/zinc/17/61/14/564176114.db2.gz SELZTDANPABZDG-UHFFFAOYSA-N 0 0 335.407 3.924 50 30 EHEARN N#Cc1ccc(N2CCC(c3nc(-c4ccncc4)cs3)CC2)nc1 ZINC000078303414 564176938 /nfs/dbraw/zinc/17/69/38/564176938.db2.gz YHCSZYVXZULAIU-UHFFFAOYSA-N 0 0 347.447 3.856 50 30 EHEARN CCc1ccc(NC(=O)N2CCc3c(CC#N)cccc3C2)cc1OC ZINC000599791118 1030456663 /nfs/dbraw/zinc/45/66/63/1030456663.db2.gz GQYBBBDFMBRLLX-UHFFFAOYSA-N 0 0 349.434 3.914 50 30 EHEARN N#Cc1c2c(sc1NC(=O)/C=C/c1cnccn1)CCCCCC2 ZINC000084613400 1031565185 /nfs/dbraw/zinc/56/51/85/1031565185.db2.gz ZJXABKGBECLFBH-BQYQJAHWSA-N 0 0 338.436 3.721 50 30 EHEARN CC(=O)N(C)c1nc(/C=C2\CCSc3ccccc3C2=O)cs1 ZINC000066408062 1035449106 /nfs/dbraw/zinc/44/91/06/1035449106.db2.gz KXTPEPBTPGGRRO-FMIVXFBMSA-N 0 0 344.461 3.888 50 30 EHEARN Cc1ncc(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000329432452 1039670975 /nfs/dbraw/zinc/67/09/75/1039670975.db2.gz KPBBQIVUOKHPGT-NVXWUHKLSA-N 0 0 348.397 3.525 50 30 EHEARN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000329841904 1040775250 /nfs/dbraw/zinc/77/52/50/1040775250.db2.gz KFKQYOLLTIXUCK-BBRMVZONSA-N 0 0 328.416 3.665 50 30 EHEARN Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2)sc1C ZINC000332407858 1041648970 /nfs/dbraw/zinc/64/89/70/1041648970.db2.gz ILLBNZHVPPRGHD-KRWDZBQOSA-N 0 0 339.464 3.580 50 30 EHEARN CC(=O)N(C)c1nc(/C=C2/CCSc3ccccc3C2=O)cs1 ZINC000063412144 1126959757 /nfs/dbraw/zinc/95/97/57/1126959757.db2.gz KXTPEPBTPGGRRO-XFXZXTDPSA-N 0 0 344.461 3.888 50 30 EHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)C1CCCCCCC1 ZINC000069369846 1130196833 /nfs/dbraw/zinc/19/68/33/1130196833.db2.gz NDBAFTZSQDZLDZ-UHFFFAOYSA-N 0 0 344.503 3.918 50 30 EHEARN CCOCCC/N=C1\SC[C@@H](CC)N1C(=O)c1ccc(F)cc1 ZINC000105809459 1139416385 /nfs/dbraw/zinc/41/63/85/1139416385.db2.gz RQKYDJYJVUAQQP-KIJUOZEOSA-N 0 0 338.448 3.576 50 30 EHEARN N#Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000051454241 214095736 /nfs/dbraw/zinc/09/57/36/214095736.db2.gz WLYLQAUPBXHKIG-HXUWFJFHSA-N 0 0 342.402 3.997 50 30 EHEARN Cc1nc2ccccc2nc1N1CCCN(c2ccccc2C#N)CC1 ZINC000052189480 214120434 /nfs/dbraw/zinc/12/04/34/214120434.db2.gz LDVBCLCDQYHTOF-UHFFFAOYSA-N 0 0 343.434 3.527 50 30 EHEARN C=CCS[C@H](C)C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 ZINC000055166852 214281924 /nfs/dbraw/zinc/28/19/24/214281924.db2.gz XRPYEVBQMPMGLC-GFCCVEGCSA-N 0 0 336.457 3.680 50 30 EHEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc(C)[nH]c(=O)c1 ZINC000055255796 214296535 /nfs/dbraw/zinc/29/65/35/214296535.db2.gz WLFIYBWWRFYNDF-MOPGFXCFSA-N 0 0 334.419 3.771 50 30 EHEARN C[C@@](O)(C#CCN1CCCC[C@@H]1c1cccnc1)CCc1ccccc1 ZINC000055236058 214292792 /nfs/dbraw/zinc/29/27/92/214292792.db2.gz ZWXAFZKAAAQSKI-DHIUTWEWSA-N 0 0 348.490 3.996 50 30 biogenic EHEARN CC(=O)Nc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@](C)(c1ccc(C#N)cc1)N2 ZINC000004623760 210234183 /nfs/dbraw/zinc/23/41/83/210234183.db2.gz BMIGNNXHCXWAGS-SESVDKBCSA-N 0 0 347.418 3.935 50 30 EHEARN Cc1cc(C)n(-c2cc(N=NC(C)c3ccc(F)cc3)nc(C)n2)n1 ZINC000004595600 210229280 /nfs/dbraw/zinc/22/92/80/210229280.db2.gz XRXNZQKJQKWJLA-LPYMAVHISA-N 0 0 338.390 3.563 50 30 EHEARN Cc1ccc(Cl)c2s/c(=N\C(=O)c3ccc(C#N)cc3)n(C)c21 ZINC000100908747 219110852 /nfs/dbraw/zinc/11/08/52/219110852.db2.gz ZRNUSZKQRYQHSR-JZJYNLBNSA-N 0 0 341.823 3.814 50 30 EHEARN CCOC(=O)c1c(CC(C)C)csc1NC=C1C(=O)CCCC1=O ZINC000101017631 219114434 /nfs/dbraw/zinc/11/44/34/219114434.db2.gz KGOLSIYBORZJTM-UHFFFAOYSA-N 0 0 349.452 3.741 50 30 EHEARN O=[N+]([O-])c1ccccc1N=NCc1ccc(Br)s1 ZINC000004119169 210125348 /nfs/dbraw/zinc/12/53/48/210125348.db2.gz DIKPRHICCVRALH-NTUHNPAUSA-N 0 0 326.175 3.865 50 30 EHEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)C12CCSCC2 ZINC000004111562 210121663 /nfs/dbraw/zinc/12/16/63/210121663.db2.gz UQXPGNPYFYZKNM-QFQXCOSMSA-N 0 0 340.492 3.949 50 30 EHEARN CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000003588268 210059416 /nfs/dbraw/zinc/05/94/16/210059416.db2.gz VBZWVHQCAXABMP-UHFFFAOYSA-N 0 0 348.233 3.936 50 30 EHEARN N#Cc1ccc(C(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 ZINC000044445942 213624359 /nfs/dbraw/zinc/62/43/59/213624359.db2.gz RVZUFUPNBAFUCO-UHFFFAOYSA-N 0 0 333.416 3.857 50 30 EHEARN C=CCSc1nnc2c(n1)O[C@H](c1ccncc1)Nc1ccccc1-2 ZINC000002977835 209948723 /nfs/dbraw/zinc/94/87/23/209948723.db2.gz SEOMMJPUBVVPTE-MRXNPFEDSA-N 0 0 349.419 3.715 50 30 EHEARN CCc1c(C)sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1C#N ZINC000002763168 209905233 /nfs/dbraw/zinc/90/52/33/209905233.db2.gz SIKPMDPCMFKZQY-GQCTYLIASA-N 0 0 331.353 3.644 50 30 EHEARN N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000103504366 219309651 /nfs/dbraw/zinc/30/96/51/219309651.db2.gz ZCFQMODFXZNJHR-GFCCVEGCSA-N 0 0 333.174 3.955 50 30 EHEARN CC(C)(/C=N/OC(=O)Nc1ccc(Cl)c(Cl)c1)n1cncn1 ZINC000002239819 209834555 /nfs/dbraw/zinc/83/45/55/209834555.db2.gz BEHAAVWTTOVJQG-NGYBGAFCSA-N 0 0 342.186 3.555 50 30 EHEARN N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000040153794 213274335 /nfs/dbraw/zinc/27/43/35/213274335.db2.gz CORMRCSNWCFESX-QGZVFWFLSA-N 0 0 339.351 3.768 50 30 EHEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000001473707 209753095 /nfs/dbraw/zinc/75/30/95/209753095.db2.gz RXAOEJQGECBPCY-VCHYOVAHSA-N 0 0 344.827 3.778 50 30 EHEARN N#CC1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000069702588 215541644 /nfs/dbraw/zinc/54/16/44/215541644.db2.gz LTUKWJIBCQXGPT-FQEVSTJZSA-N 0 0 333.435 3.916 50 30 EHEARN N#Cc1cccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1 ZINC000186734618 236001760 /nfs/dbraw/zinc/00/17/60/236001760.db2.gz XXPKXSMJZXWROI-UHFFFAOYSA-N 0 0 345.324 3.688 50 30 EHEARN O=S(=O)(N/N=C/c1cccc2ccccc12)c1ccc(Cl)cc1 ZINC000000442137 209601884 /nfs/dbraw/zinc/60/18/84/209601884.db2.gz HXZBXYLDDQRYHF-XDHOZWIPSA-N 0 0 344.823 3.806 50 30 EHEARN C=CCNC(=O)c1sc(COc2ccc(Cl)c(C)c2)nc1C ZINC000035476292 213031619 /nfs/dbraw/zinc/03/16/19/213031619.db2.gz SQCUMEHAHZYTSL-UHFFFAOYSA-N 0 0 336.844 3.908 50 30 EHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(F)cc1 ZINC000000428095 209593799 /nfs/dbraw/zinc/59/37/99/209593799.db2.gz XECCUGFXZOZYLE-MAUKXSAKSA-N 0 0 328.339 3.738 50 30 EHEARN NC(=O)C(C(=O)/C=C\c1c(Cl)cccc1Cl)=C1SCS1 ZINC000033492772 212942715 /nfs/dbraw/zinc/94/27/15/212942715.db2.gz PBNXGQYDNDAMCY-PLNGDYQASA-N 0 0 346.260 3.710 50 30 EHEARN N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCC2 ZINC000000368999 209556359 /nfs/dbraw/zinc/55/63/59/209556359.db2.gz DACUWFUTYIUUPH-UHFFFAOYSA-N 0 0 340.404 3.870 50 30 EHEARN CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc(C#N)cn3)C2)n1 ZINC000072297206 216135436 /nfs/dbraw/zinc/13/54/36/216135436.db2.gz OTKLIWYPROLKEG-AWEZNQCLSA-N 0 0 340.452 3.553 50 30 EHEARN COc1ccc(/N=C/c2ccc(OC3CSC3)cc2)c(OC)c1 ZINC000000066711 209397520 /nfs/dbraw/zinc/39/75/20/209397520.db2.gz OVXLEBDRODPBLA-VXLYETTFSA-N 0 0 329.421 3.949 50 30 EHEARN Fc1cccc(Cl)c1COc1ccc(/C=N/n2cnnc2)cc1 ZINC000000049401 209390065 /nfs/dbraw/zinc/39/00/65/209390065.db2.gz LHNYXYJGXSGJEG-ODCIPOBUSA-N 0 0 330.750 3.532 50 30 EHEARN CCC[C@H](C)N1CC2(CCN(Cc3ccccc3C#N)CC2)OC1=O ZINC000072439469 216234350 /nfs/dbraw/zinc/23/43/50/216234350.db2.gz YRMZZMOZAXPDAO-INIZCTEOSA-N 0 0 341.455 3.534 50 30 EHEARN CSc1ccc(CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)cc1 ZINC000022091046 212276658 /nfs/dbraw/zinc/27/66/58/212276658.db2.gz QWZWLEJOWVQLFJ-SXGWCWSVSA-N 0 0 335.494 3.941 50 30 EHEARN COc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019879388 212078321 /nfs/dbraw/zinc/07/83/21/212078321.db2.gz QEVLYGAVMBKXIU-KGENOOAVSA-N 0 0 343.858 3.500 50 30 EHEARN C=CCn1ccc(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)n1 ZINC000019787347 212066134 /nfs/dbraw/zinc/06/61/34/212066134.db2.gz FCCPDJJXMNRRFH-UHFFFAOYSA-N 0 0 338.432 3.807 50 30 EHEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1 ZINC000019593989 212050842 /nfs/dbraw/zinc/05/08/42/212050842.db2.gz BZFLKIWGNVQLMN-RCCKNPSSSA-N 0 0 343.858 3.587 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000019315237 212014428 /nfs/dbraw/zinc/01/44/28/212014428.db2.gz NUEIZFQSCYDGJK-SFHVURJKSA-N 0 0 325.408 3.526 50 30 EHEARN Cc1sc2nc(SCc3ccccc3C#N)n(C)c(=O)c2c1C ZINC000019317671 212015517 /nfs/dbraw/zinc/01/55/17/212015517.db2.gz WWEYBUCUCCIIRA-UHFFFAOYSA-N 0 0 341.461 3.776 50 30 EHEARN Cc1csc(N(C(=O)C[C@@H]2CCCO2)c2ccc(C#N)cc2)n1 ZINC000078666441 217097766 /nfs/dbraw/zinc/09/77/66/217097766.db2.gz HNJQONZNFOCQHI-HNNXBMFYSA-N 0 0 327.409 3.557 50 30 EHEARN C=CCOc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000078926266 217150447 /nfs/dbraw/zinc/15/04/47/217150447.db2.gz KWKXUIGWZVWKAJ-HNNXBMFYSA-N 0 0 325.412 3.549 50 30 EHEARN Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)c3ccc(F)cn3)c12 ZINC000080436055 217303758 /nfs/dbraw/zinc/30/37/58/217303758.db2.gz KXWKYRQXFJEDGS-ZDUSSCGKSA-N 0 0 338.342 3.679 50 30 EHEARN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000014184916 211703937 /nfs/dbraw/zinc/70/39/37/211703937.db2.gz SCUCPKMWMXEZJB-LLVKDONJSA-N 0 0 334.297 3.983 50 30 EHEARN Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013687901 211610251 /nfs/dbraw/zinc/61/02/51/211610251.db2.gz GZCADSFCBVFOED-MRXNPFEDSA-N 0 0 340.379 3.595 50 30 EHEARN COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O ZINC000013681921 211608767 /nfs/dbraw/zinc/60/87/67/211608767.db2.gz CFXBQCCOUMSYPP-SOFYXZRVSA-N 0 0 344.750 3.831 50 30 EHEARN C=CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000012385438 211365245 /nfs/dbraw/zinc/36/52/45/211365245.db2.gz CUHFXSZADLSKFS-MRXNPFEDSA-N 0 0 327.403 3.717 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCc2sccc2C1 ZINC000012216110 211322520 /nfs/dbraw/zinc/32/25/20/211322520.db2.gz CDGHWBMJIJAIBE-UHFFFAOYSA-N 0 0 337.404 3.510 50 30 EHEARN C(#Cc1ccccc1-c1cn(Cc2cccnc2)nn1)c1ccccc1 ZINC000091548732 218020701 /nfs/dbraw/zinc/02/07/01/218020701.db2.gz PFWAVOHWADNPBT-UHFFFAOYSA-N 0 0 336.398 3.788 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cccc2cccnc21 ZINC000011296366 211212541 /nfs/dbraw/zinc/21/25/41/211212541.db2.gz FNEGSDSVIJBYAQ-AWEZNQCLSA-N 0 0 332.359 3.617 50 30 EHEARN CC(=O)[C@@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N ZINC000011461082 211218099 /nfs/dbraw/zinc/21/80/99/211218099.db2.gz SJLSQWQOGIMVFK-CYBMUJFWSA-N 0 0 325.389 3.844 50 30 EHEARN N#Cc1ccccc1C=CC(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009989633 211138698 /nfs/dbraw/zinc/13/86/98/211138698.db2.gz RWKUJRFOFXOWMJ-ZHACJKMWSA-N 0 0 344.414 3.693 50 30 EHEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1ccccn1 ZINC000009112638 211040556 /nfs/dbraw/zinc/04/05/56/211040556.db2.gz GAKNYULPWPFQKS-UHFFFAOYSA-N 0 0 343.839 3.923 50 30 EHEARN N#Cc1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000095972543 218477727 /nfs/dbraw/zinc/47/77/27/218477727.db2.gz XKYDIYZVKMMQGF-UHFFFAOYSA-N 0 0 347.378 3.727 50 30 EHEARN COc1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)cc1 ZINC000005910698 210557981 /nfs/dbraw/zinc/55/79/81/210557981.db2.gz VFSBVEGSDXAZIH-VCHYOVAHSA-N 0 0 344.827 3.778 50 30 EHEARN COc1ccccc1[C@H](C#N)NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000096451246 218834160 /nfs/dbraw/zinc/83/41/60/218834160.db2.gz IPVPVAFKABHMQK-CJNGLKHVSA-N 0 0 334.375 3.926 50 30 EHEARN CCc1nnc(CSc2ccc(C#N)c(C(F)(F)F)c2)n1C ZINC000097050302 218934435 /nfs/dbraw/zinc/93/44/35/218934435.db2.gz OTCVSFJQCHYXFJ-UHFFFAOYSA-N 0 0 326.347 3.560 50 30 EHEARN CC(/C=C/c1ccccc1)=N\N=C1\NC(=O)[C@@H](Cc2ccccc2)S1 ZINC000005010026 210359803 /nfs/dbraw/zinc/35/98/03/210359803.db2.gz WQESMCJEFRIXEH-YYZACMOJSA-N 0 0 349.459 3.906 50 30 EHEARN CCCSC1=N/C(=C\c2cc([N+](=O)[O-])ccc2OC)C(=O)S1 ZINC000004907128 210319154 /nfs/dbraw/zinc/31/91/54/210319154.db2.gz LGYMBULSLWJZNF-FLIBITNWSA-N 0 0 338.410 3.717 50 30 EHEARN C=CCOc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000004840330 210294603 /nfs/dbraw/zinc/29/46/03/210294603.db2.gz RPAUKLGRTNSVGD-UHFFFAOYSA-N 0 0 343.379 3.530 50 30 EHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000004784386 210276896 /nfs/dbraw/zinc/27/68/96/210276896.db2.gz AVQBEBPFZVFVIB-JOCHJYFZSA-N 0 0 349.430 3.605 50 30 EHEARN Cc1nc2ccccc2n1C1CCN(c2nccc(C)c2C#N)CC1 ZINC000328588368 258045643 /nfs/dbraw/zinc/04/56/43/258045643.db2.gz CVBDXYKUENVPHP-UHFFFAOYSA-N 0 0 331.423 3.761 50 30 EHEARN C=CCn1c(SCCn2nc(C)cc2C)nnc1-c1ccoc1C ZINC000068043655 258011523 /nfs/dbraw/zinc/01/15/23/258011523.db2.gz QVSGYGKFKWIQIS-UHFFFAOYSA-N 0 0 343.456 3.638 50 30 EHEARN C=CCN(Cc1ccccc1Cl)C(=O)CCn1ccnc1CC ZINC000055036783 258014961 /nfs/dbraw/zinc/01/49/61/258014961.db2.gz WGGVAXOCULOTOZ-UHFFFAOYSA-N 0 0 331.847 3.704 50 30 EHEARN C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000008777017 258018062 /nfs/dbraw/zinc/01/80/62/258018062.db2.gz KDMBTPAZMTXDTP-UHFFFAOYSA-N 0 0 344.461 3.621 50 30 EHEARN O=C(Cc1ccccc1F)N1CCS/C1=N\CCc1ccccc1 ZINC000003454243 258050659 /nfs/dbraw/zinc/05/06/59/258050659.db2.gz WSFAIXPHCMHKGY-VZCXRCSSSA-N 0 0 342.439 3.542 50 30 EHEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253498276 258073372 /nfs/dbraw/zinc/07/33/72/258073372.db2.gz VVSMJVQHDZUPIL-IKTXBNCXSA-N 0 0 344.451 3.629 50 30 EHEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253498275 258073477 /nfs/dbraw/zinc/07/34/77/258073477.db2.gz VVSMJVQHDZUPIL-FZEOFVTHSA-N 0 0 344.451 3.629 50 30 EHEARN C#CCOC[C@H]1CCCN(C(=O)Cc2ccc(SC(C)C)cc2)C1 ZINC000049031623 518313612 /nfs/dbraw/zinc/31/36/12/518313612.db2.gz PFTPQCPFFUHHBH-SFHVURJKSA-N 0 0 345.508 3.618 50 30 EHEARN C=C(C)COc1cccc(C(=O)NCc2cn3cc(C)ccc3n2)c1 ZINC000055385488 518619330 /nfs/dbraw/zinc/61/93/30/518619330.db2.gz TYTOPJRJNXPOBF-UHFFFAOYSA-N 0 0 335.407 3.528 50 30 EHEARN C=CCCC(=O)NC[C@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 ZINC000014994401 518693657 /nfs/dbraw/zinc/69/36/57/518693657.db2.gz XUHIJGUILZVHDL-GOSISDBHSA-N 0 0 349.430 3.942 50 30 EHEARN C=CCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1 ZINC000014242726 518945230 /nfs/dbraw/zinc/94/52/30/518945230.db2.gz GZJXUOCVYPEGNT-UHFFFAOYSA-N 0 0 347.418 3.523 50 30 EHEARN C=CCOc1cccc(NC(=O)c2cccc(Cn3ccnc3)c2)c1 ZINC000055724861 519056975 /nfs/dbraw/zinc/05/69/75/519056975.db2.gz YNMRCNRTQNHZGX-UHFFFAOYSA-N 0 0 333.391 3.749 50 30 EHEARN C=CC[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1ccncc1 ZINC000069973299 519119050 /nfs/dbraw/zinc/11/90/50/519119050.db2.gz SOBUDRSEPGAVAC-HNNXBMFYSA-N 0 0 342.443 3.518 50 30 EHEARN C=CCc1ccc(OCCOc2cc(C=O)ccc2OC)c(OC)c1 ZINC000002994787 519137861 /nfs/dbraw/zinc/13/78/61/519137861.db2.gz HCDCZQWHNMDQKY-UHFFFAOYSA-N 0 0 342.391 3.703 50 30 EHEARN C=CCn1c(SCc2nc3ccccc3o2)nnc1-c1ccncc1 ZINC000008127561 519248512 /nfs/dbraw/zinc/24/85/12/519248512.db2.gz ISFQJKYFAUOYBJ-UHFFFAOYSA-N 0 0 349.419 3.960 50 30 EHEARN CC(=O)Nc1ccc(/C=C/C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1 ZINC000002165887 519708710 /nfs/dbraw/zinc/70/87/10/519708710.db2.gz VCHAUTKELJAWIB-FNCQTZNRSA-N 0 0 348.402 3.899 50 30 EHEARN CCOc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000096767034 520851086 /nfs/dbraw/zinc/85/10/86/520851086.db2.gz ZJMPIHGOYQRWLB-XGICHPGQSA-N 0 0 337.419 3.818 50 30 EHEARN COC(=O)c1ccc2c(c1)C(C)(C)/C(=C\C=C1C=CC(=O)C=C1)N2C ZINC000334158670 522182732 /nfs/dbraw/zinc/18/27/32/522182732.db2.gz BPEBAMZYTIXEKH-XDHOZWIPSA-N 0 0 335.403 3.706 50 30 EHEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc2c(c1)CCO2 ZINC000014202564 522818835 /nfs/dbraw/zinc/81/88/35/522818835.db2.gz QOCXDZAYSXTXLX-GQCTYLIASA-N 0 0 340.375 3.543 50 30 EHEARN COc1ccc(C(=O)C=CNc2ccc(C(C)=O)cc2)c(OC)c1 ZINC000000485473 523536347 /nfs/dbraw/zinc/53/63/47/523536347.db2.gz FSMPIABRZRWNES-ZHACJKMWSA-N 0 0 325.364 3.715 50 30 biogenic EHEARN COC(=O)[C@@H](Cc1ccccc1)/N=C/c1ccc(OC)c(Cl)c1 ZINC000005703269 523594447 /nfs/dbraw/zinc/59/44/47/523594447.db2.gz BTOAGNXGRZPUMH-DDLUMYACSA-N 0 0 331.799 3.552 50 30 EHEARN Cc1cc(C)c(C)c(OCC(=O)ONC(=N)c2ccc(Cl)cc2)c1 ZINC000004906474 524247399 /nfs/dbraw/zinc/24/73/99/524247399.db2.gz NRXBVTWZJSJDDZ-UHFFFAOYSA-N 0 0 346.814 3.508 50 30 EHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2cccc(Cl)c2)cc1 ZINC000005813224 526443452 /nfs/dbraw/zinc/44/34/52/526443452.db2.gz NPZHIXVTTFCRKY-UHFFFAOYSA-N 0 0 328.755 3.549 50 30 EHEARN N#CCN1CCC(CNC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000096007750 526471504 /nfs/dbraw/zinc/47/15/04/526471504.db2.gz PGYWOIOJCSZTKM-UHFFFAOYSA-N 0 0 348.450 3.770 50 30 EHEARN Cc1noc(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 ZINC000041534550 526483065 /nfs/dbraw/zinc/48/30/65/526483065.db2.gz BXUINZSBEJCGHV-HNNXBMFYSA-N 0 0 337.404 3.834 50 30 EHEARN N#CCc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000452662 526483479 /nfs/dbraw/zinc/48/34/79/526483479.db2.gz VTXKVXJKIGEFSP-UHFFFAOYSA-N 0 0 341.392 3.533 50 30 EHEARN CC[C@H](C)N1CC(=O)C(c2nc(-c3cccc(Cl)c3)cs2)=C1N ZINC000034769896 538125029 /nfs/dbraw/zinc/12/50/29/538125029.db2.gz LVEORIFNFUCLMX-JTQLQIEISA-N 0 0 347.871 3.774 50 30 EHEARN Cc1ccc(S(=O)(=O)N=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)cc1 ZINC000000262374 563268544 /nfs/dbraw/zinc/26/85/44/563268544.db2.gz BQNHJGXAPPCQRH-UHFFFAOYSA-N 0 0 345.464 3.872 50 30 EHEARN C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1C ZINC000071888003 563389859 /nfs/dbraw/zinc/38/98/59/563389859.db2.gz GBPIDDBMFMLWJH-GFCCVEGCSA-N 0 0 346.481 3.545 50 30 EHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000002055421 563420162 /nfs/dbraw/zinc/42/01/62/563420162.db2.gz DWROXDDMRBKBJR-IBGZPJMESA-N 0 0 339.435 3.916 50 30 EHEARN CCCCCCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](C)S2)cc1 ZINC000004536191 563504698 /nfs/dbraw/zinc/50/46/98/563504698.db2.gz DISRUNSTYOJZCY-RNEAKCBISA-N 0 0 333.457 3.587 50 30 EHEARN Cc1ccc(S(=O)(=O)O/N=C2\CCSc3ccc(C)cc32)cc1 ZINC000005814685 563551531 /nfs/dbraw/zinc/55/15/31/563551531.db2.gz AQSFAZQTBCMWPR-FBMGVBCBSA-N 0 0 347.461 3.909 50 30 EHEARN C[C@@H](CC#N)N(C)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000071907600 563567690 /nfs/dbraw/zinc/56/76/90/563567690.db2.gz FKMBQBQTXXKHSW-AWEZNQCLSA-N 0 0 326.371 3.779 50 30 EHEARN Cc1cc2nc(NC(N)=NC(=O)Nc3ccccc3)nc(C)c2cc1C ZINC000013940760 563731743 /nfs/dbraw/zinc/73/17/43/563731743.db2.gz HBMWFXMRSSDLJN-UHFFFAOYSA-N 0 0 348.410 3.514 50 30 EHEARN O=C(Cc1ccccc1F)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032905214 563791454 /nfs/dbraw/zinc/79/14/54/563791454.db2.gz LQHXZEPMROMGKY-UHFFFAOYSA-N 0 0 330.362 3.802 50 30 EHEARN N#CCc1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000017111283 563836792 /nfs/dbraw/zinc/83/67/92/563836792.db2.gz FQGAOGBOMXGSKI-WJDWOHSUSA-N 0 0 337.766 3.663 50 30 EHEARN CC1(C)Cc2ccccc2C(NN=C2NC(C)(C)Cc3ccccc32)=N1 ZINC000017968287 563846698 /nfs/dbraw/zinc/84/66/98/563846698.db2.gz MBAUCDCSFFBSLR-UHFFFAOYSA-N 0 0 346.478 3.644 50 30 EHEARN N#Cc1cccc(NC(=O)Cc2csc(COc3ccccc3)n2)c1 ZINC000033326320 563846977 /nfs/dbraw/zinc/84/69/77/563846977.db2.gz FDZOWUSHVJKDTL-UHFFFAOYSA-N 0 0 349.415 3.775 50 30 EHEARN CC(C)(C)CN(CCC#N)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000069898692 563870212 /nfs/dbraw/zinc/87/02/12/563870212.db2.gz DPBYCIOOWONLJT-UHFFFAOYSA-N 0 0 327.472 3.684 50 30 EHEARN COc1ccc(-c2nc(C)c(C(=O)/C=C/c3csnn3)s2)cc1 ZINC000072235879 563882296 /nfs/dbraw/zinc/88/22/96/563882296.db2.gz ZYSHVZWFGUDYNA-VMPITWQZSA-N 0 0 343.433 3.875 50 30 EHEARN CC(C)CN(C)c1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000072275789 563903241 /nfs/dbraw/zinc/90/32/41/563903241.db2.gz YNGREUANWZGKEV-UHFFFAOYSA-N 0 0 339.414 3.720 50 30 EHEARN CSc1cc(C(=O)Nc2ccc(C#N)cc2Br)ccn1 ZINC000072280986 563904258 /nfs/dbraw/zinc/90/42/58/563904258.db2.gz ZTDQWJIKYOAKKV-UHFFFAOYSA-N 0 0 348.225 3.690 50 30 EHEARN N#Cc1cc2c(nc1SC[C@H]1COc3ccccc3O1)CCCC2 ZINC000000440794 563917454 /nfs/dbraw/zinc/91/74/54/563917454.db2.gz XUXGMPCSRRJGHH-OAHLLOKOSA-N 0 0 338.432 3.764 50 30 EHEARN CCOC(=O)c1c(C)nc2n(/N=C/c3ccccc3)c3ccccc3n21 ZINC000005044804 563919182 /nfs/dbraw/zinc/91/91/82/563919182.db2.gz MEFAMEMVGRACRD-FYJGNVAPSA-N 0 0 346.390 3.656 50 30 EHEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2cc(C)ccc2C)c1 ZINC000057525192 563935744 /nfs/dbraw/zinc/93/57/44/563935744.db2.gz KIHBDUWUHGTQHX-INIZCTEOSA-N 0 0 338.407 3.642 50 30 EHEARN CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000058161052 563938385 /nfs/dbraw/zinc/93/83/85/563938385.db2.gz AQZKTXCSPRPQIK-NYYWCZLTSA-N 0 0 335.812 3.608 50 30 EHEARN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N2CCC(C#N)CC2)cc1 ZINC000058203249 563939756 /nfs/dbraw/zinc/93/97/56/563939756.db2.gz KSHSSKVSDLWSMU-MRXNPFEDSA-N 0 0 343.471 3.740 50 30 EHEARN N#CCCN(Cc1ccco1)C(=O)c1csc(-c2ccccc2)n1 ZINC000058214965 563939994 /nfs/dbraw/zinc/93/99/94/563939994.db2.gz BJFKJDPDGOXWLN-UHFFFAOYSA-N 0 0 337.404 3.959 50 30 EHEARN NC(=NOCc1cccc(F)c1)c1cccnc1Oc1ccccc1 ZINC000072057486 563948103 /nfs/dbraw/zinc/94/81/03/563948103.db2.gz NRXRJOBJLHHRDQ-UHFFFAOYSA-N 0 0 337.354 3.850 50 30 EHEARN CCn1c(SCc2cc(C#N)ccc2F)nnc1-c1ccccn1 ZINC000156697326 563952298 /nfs/dbraw/zinc/95/22/98/563952298.db2.gz FVSXUHDAJASSBU-UHFFFAOYSA-N 0 0 339.399 3.663 50 30 EHEARN CCCS(=O)(=O)Nc1cccc(NCc2cccc(C#N)c2)c1C ZINC000096453417 563953789 /nfs/dbraw/zinc/95/37/89/563953789.db2.gz CBWFPDNLATZHFY-UHFFFAOYSA-N 0 0 343.452 3.631 50 30 EHEARN CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000060383105 563954670 /nfs/dbraw/zinc/95/46/70/563954670.db2.gz JNAZDWCIBNIDMP-QFIPXVFZSA-N 0 0 349.478 3.743 50 30 EHEARN C[S@](=O)c1ccc(CNc2ccc(Br)cc2C#N)cc1 ZINC000096501537 563955837 /nfs/dbraw/zinc/95/58/37/563955837.db2.gz GAPSMVOVQMWDGO-HXUWFJFHSA-N 0 0 349.253 3.670 50 30 EHEARN C[S@](=O)c1ccc(CNc2cc(C#N)ccc2C(F)(F)F)cc1 ZINC000097163611 563968444 /nfs/dbraw/zinc/96/84/44/563968444.db2.gz UBTQNXNLORNSPS-HSZRJFAPSA-N 0 0 338.354 3.927 50 30 EHEARN C[C@@H](Nc1ncnc2c1cnn2CCC#N)c1cc2ccccc2o1 ZINC000097200335 563970444 /nfs/dbraw/zinc/97/04/44/563970444.db2.gz QEAABACVTFNOLS-GFCCVEGCSA-N 0 0 332.367 3.659 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2O)SC1=S ZINC000033321570 563973995 /nfs/dbraw/zinc/97/39/95/563973995.db2.gz FTIKEOKEMKHROZ-GDNBJRDFSA-N 0 0 348.493 3.626 50 30 EHEARN N#Cc1cccc(NN=C2c3cc(-c4ccccc4)ccc3NC2=O)c1 ZINC000043952943 563976444 /nfs/dbraw/zinc/97/64/44/563976444.db2.gz IXBCVBAMIVHOJJ-UHFFFAOYSA-N 0 0 338.370 3.994 50 30 EHEARN CCOc1cc(CC#N)cc(Br)c1OCC(F)(F)F ZINC000095938927 563977777 /nfs/dbraw/zinc/97/77/77/563977777.db2.gz CYUZJGGKJWKHMA-UHFFFAOYSA-N 0 0 338.123 3.855 50 30 EHEARN N#CC1CCN(C(=O)Nc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC000096140852 563979522 /nfs/dbraw/zinc/97/95/22/563979522.db2.gz BDNXRKQZTXDAPP-UHFFFAOYSA-N 0 0 333.260 3.751 50 30 EHEARN COc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1 ZINC000000147661 563987280 /nfs/dbraw/zinc/98/72/80/563987280.db2.gz BEHNGCUWLMLTSA-RGVLZGJSSA-N 0 0 338.436 3.770 50 30 EHEARN N#C[C@H](C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc2ccccc2[nH]1 ZINC000408513921 563992805 /nfs/dbraw/zinc/99/28/05/563992805.db2.gz GYHYOWKIFZLUEK-IAGOWNOFSA-N 0 0 345.402 3.947 50 30 EHEARN C=C[C@@](C)(CC)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C ZINC000187874579 563994214 /nfs/dbraw/zinc/99/42/14/563994214.db2.gz BDZNTLFQGDBQOA-IBGZPJMESA-N 0 0 346.496 3.725 50 30 EHEARN O=C(N[C@@H]1CCCc2sc(Cl)cc21)[C@H]1CCc2nncn2C1 ZINC000329225241 563996077 /nfs/dbraw/zinc/99/60/77/563996077.db2.gz GBRJSUBEOUZKJP-GXSJLCMTSA-N 0 0 336.848 3.590 50 30 EHEARN COc1ccc(NC(=O)[C@@H](C#N)Cc2c[nH]c3ccc(OC)cc23)cc1 ZINC000061718566 564000429 /nfs/dbraw/zinc/00/04/29/564000429.db2.gz QCJHNABHHBJIGC-CYBMUJFWSA-N 0 0 349.390 3.506 50 30 EHEARN CC(C)c1ccc([C@@H]2NC(=S)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002601635 564013162 /nfs/dbraw/zinc/01/31/62/564013162.db2.gz WNPBSGWESYAPOA-KRWDZBQOSA-N 0 0 328.481 3.972 50 30 EHEARN N#Cc1ccc(C(F)(F)F)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000005671061 564017784 /nfs/dbraw/zinc/01/77/84/564017784.db2.gz RUPBFZRRISPXMN-UHFFFAOYSA-N 0 0 346.230 3.806 50 30 EHEARN CCOC(=O)c1ccccc1C(=O)Nc1sc(C)c(C)c1C#N ZINC000000500004 564018492 /nfs/dbraw/zinc/01/84/92/564018492.db2.gz GFUMLQAKAKKGMH-UHFFFAOYSA-N 0 0 328.393 3.666 50 30 EHEARN CCCN1C(N)=C(c2nc3ccccc3s2)C(=O)[C@@H]1c1ccccc1 ZINC000102269294 564019964 /nfs/dbraw/zinc/01/99/64/564019964.db2.gz WJQJMIJHMKKSOU-KRWDZBQOSA-N 0 0 349.459 3.960 50 30 EHEARN C/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C ZINC000103757063 564023108 /nfs/dbraw/zinc/02/31/08/564023108.db2.gz NAZRLAPRFAUAEY-WOLOTKMDSA-N 0 0 343.427 3.765 50 30 EHEARN COC(=O)c1sc(NC(=O)c2ccc(C)cc2C)c(C#N)c1C ZINC000000557947 564023161 /nfs/dbraw/zinc/02/31/61/564023161.db2.gz YLRSYTCNRSPRQH-UHFFFAOYSA-N 0 0 328.393 3.584 50 30 EHEARN COc1cccc2c1OC1=C(C(=O)CCC1)[C@H]2C1C(=O)CCCC1=O ZINC000000562727 564023299 /nfs/dbraw/zinc/02/32/99/564023299.db2.gz UDBRAUNEQDDRDT-QGZVFWFLSA-N 0 0 340.375 3.743 50 30 EHEARN O=C(/C=C1\C(=O)Nc2ccccc21)c1ccc(Br)s1 ZINC000032646453 564036115 /nfs/dbraw/zinc/03/61/15/564036115.db2.gz PPPZCAKPRIVMNM-CLFYSBASSA-N 0 0 334.194 3.729 50 30 EHEARN CCN(CC)C(=O)c1sc(NC(=O)c2cccs2)c(C#N)c1C ZINC000000350702 564036137 /nfs/dbraw/zinc/03/61/37/564036137.db2.gz KKHBHWWPCOVZES-UHFFFAOYSA-N 0 0 347.465 3.724 50 30 EHEARN COc1cc(/C=C2/Cc3ccccc3C2=O)cc(Br)c1O ZINC000033371484 564036771 /nfs/dbraw/zinc/03/67/71/564036771.db2.gz DXIRTIRDOIVKNP-SDQBBNPISA-N 0 0 345.192 3.986 50 30 EHEARN N#Cc1ccccc1COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000001108536 564054358 /nfs/dbraw/zinc/05/43/58/564054358.db2.gz XACHXKCUBDUGQB-UHFFFAOYSA-N 0 0 331.327 3.988 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000257356040 564055927 /nfs/dbraw/zinc/05/59/27/564055927.db2.gz FJOFXGFQXDZWJF-HLVBREATSA-N 0 0 330.468 3.647 50 30 EHEARN N#Cc1ccc(CNc2ccc(C(=O)NC3CC3)c(Cl)c2)c(F)c1 ZINC000079179001 564058122 /nfs/dbraw/zinc/05/81/22/564058122.db2.gz CICNPQDEHARBQN-UHFFFAOYSA-N 0 0 343.789 3.855 50 30 EHEARN Cc1nc2c(c(-c3ccc4c(c3)OCO4)c1C#N)C(=O)c1ccccc1-2 ZINC000001390320 564064509 /nfs/dbraw/zinc/06/45/09/564064509.db2.gz AOLHZIZERVLJAI-UHFFFAOYSA-N 0 0 340.338 3.869 50 30 EHEARN C=CCN(CC(=O)Nc1ccc(Cl)cc1F)Cc1ccccn1 ZINC000065425505 564066800 /nfs/dbraw/zinc/06/68/00/564066800.db2.gz WHKAFFQYDFVPGT-UHFFFAOYSA-N 0 0 333.794 3.501 50 30 EHEARN C=CCOc1ccc2ccccc2c1CNn1c(C)n[nH]c1=S ZINC000006974140 564070836 /nfs/dbraw/zinc/07/08/36/564070836.db2.gz MCUCZGMIZNCSPG-UHFFFAOYSA-N 0 0 326.425 3.711 50 30 EHEARN C[C@H](OC(=O)C1CCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000015706927 564070883 /nfs/dbraw/zinc/07/08/83/564070883.db2.gz NVRHLEIAYDDSRG-NSHDSACASA-N 0 0 346.452 3.559 50 30 EHEARN C[C@H]1CCc2c(sc3ncn(Cc4ccc(C#N)cc4)c(=O)c32)C1 ZINC000006087758 564073757 /nfs/dbraw/zinc/07/37/57/564073757.db2.gz IWVSJHFIHBAJGS-LBPRGKRZSA-N 0 0 335.432 3.503 50 30 EHEARN C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000001855589 564074747 /nfs/dbraw/zinc/07/47/47/564074747.db2.gz QJBZPXAJCLTKHD-UHFFFAOYSA-N 0 0 327.380 3.545 50 30 EHEARN COc1ccc(/C=C2\Oc3ccc(Br)cc3C2=O)cc1O ZINC000299738127 564075238 /nfs/dbraw/zinc/07/52/38/564075238.db2.gz ADRPRVKOSBUNOD-CHHVJCJISA-N 0 0 347.164 3.780 50 30 EHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2ccccc2)no1 ZINC000012848214 564075268 /nfs/dbraw/zinc/07/52/68/564075268.db2.gz KQINRMKRFIQJMR-AWEZNQCLSA-N 0 0 348.358 3.724 50 30 EHEARN CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(C)c2)cc1 ZINC000007713831 564082123 /nfs/dbraw/zinc/08/21/23/564082123.db2.gz NWTGLAYMWCMZRP-KPKJPENVSA-N 0 0 343.448 3.579 50 30 EHEARN CCCCCCCCn1nnn(CCSc2ccccc2)c1=N ZINC000102189352 564083124 /nfs/dbraw/zinc/08/31/24/564083124.db2.gz BHOMJPYMEWQBMV-UHFFFAOYSA-N 0 0 333.505 3.712 50 30 EHEARN CCOc1ccccc1C=NN1CCN(c2ccc(Cl)cc2)CC1 ZINC000238923903 564087984 /nfs/dbraw/zinc/08/79/84/564087984.db2.gz QEXPTQIKDGWUNB-UHFFFAOYSA-N 0 0 343.858 3.895 50 30 EHEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)cc2)cc1 ZINC000239121295 564087999 /nfs/dbraw/zinc/08/79/99/564087999.db2.gz JRCOSKUIVFZTCB-UHFFFAOYSA-N 0 0 344.827 3.778 50 30 EHEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1 ZINC000239125120 564088001 /nfs/dbraw/zinc/08/80/01/564088001.db2.gz JYDLISZRFYDOLC-UHFFFAOYSA-N 0 0 338.436 3.905 50 30 EHEARN CN(C(=O)c1ncccc1C(F)(F)F)c1cc(Cl)ccc1C#N ZINC000092445618 564088976 /nfs/dbraw/zinc/08/89/76/564088976.db2.gz LJEJNICQWJBDTK-UHFFFAOYSA-N 0 0 339.704 3.902 50 30 EHEARN N#Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000002495498 564089001 /nfs/dbraw/zinc/08/90/01/564089001.db2.gz CGCMQCPVZHDEGP-UHFFFAOYSA-N 0 0 347.783 3.922 50 30 EHEARN CN(C)c1ncccc1CNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000089322888 564089630 /nfs/dbraw/zinc/08/96/30/564089630.db2.gz NCYOSIXUSBTPQX-UHFFFAOYSA-N 0 0 337.814 3.833 50 30 EHEARN C[C@H](CC#N)N(C)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000075582819 564089676 /nfs/dbraw/zinc/08/96/76/564089676.db2.gz ICCXGMFWAKABOG-LLVKDONJSA-N 0 0 333.844 3.767 50 30 EHEARN COc1ccc2ncc(C#N)c(Nc3ccc4c(c3)OCCO4)c2c1 ZINC000064438796 564091337 /nfs/dbraw/zinc/09/13/37/564091337.db2.gz RUZGATMCXDAPEE-UHFFFAOYSA-N 0 0 333.347 3.630 50 30 EHEARN CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc(OC)cc1 ZINC000006540888 564091838 /nfs/dbraw/zinc/09/18/38/564091838.db2.gz PLIWEXFEHAEOAB-ZDUSSCGKSA-N 0 0 325.364 3.616 50 30 EHEARN C=CCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064664668 564094916 /nfs/dbraw/zinc/09/49/16/564094916.db2.gz SVYSNLOBUTWAHU-UHFFFAOYSA-N 0 0 325.799 3.654 50 30 EHEARN CC(C)c1noc(C2(NC(=O)c3cccc(C#N)c3)CCCCC2)n1 ZINC000065257774 564103471 /nfs/dbraw/zinc/10/34/71/564103471.db2.gz RBFPVIKZKOFXIA-UHFFFAOYSA-N 0 0 338.411 3.654 50 30 EHEARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007058482 564104016 /nfs/dbraw/zinc/10/40/16/564104016.db2.gz QFHXZCMQXYOZCK-CYBMUJFWSA-N 0 0 342.468 3.728 50 30 EHEARN N#Cc1cccc(NC(=O)NCCc2coc(-c3ccccc3)n2)c1 ZINC000065552390 564107498 /nfs/dbraw/zinc/10/74/98/564107498.db2.gz NOASSDVVLFTWGI-UHFFFAOYSA-N 0 0 332.363 3.577 50 30 EHEARN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC=C(c2ccccc2)CC1 ZINC000007417800 564108163 /nfs/dbraw/zinc/10/81/63/564108163.db2.gz WGMKQXMEAFFFKV-INIZCTEOSA-N 0 0 331.419 3.675 50 30 EHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000007543520 564110250 /nfs/dbraw/zinc/11/02/50/564110250.db2.gz CLSFTYPTMHAHKN-KRWDZBQOSA-N 0 0 343.430 3.752 50 30 EHEARN C=C(C)COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000006715855 564117449 /nfs/dbraw/zinc/11/74/49/564117449.db2.gz KCAAZLLDJQEFEP-UHFFFAOYSA-N 0 0 336.435 3.604 50 30 EHEARN CC(=NNC(=S)Nc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000252460450 564118636 /nfs/dbraw/zinc/11/86/36/564118636.db2.gz FLYCVWRAAKZMQN-UHFFFAOYSA-N 0 0 328.397 3.614 50 30 EHEARN O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1ccccc1Cl ZINC000252487878 564119386 /nfs/dbraw/zinc/11/93/86/564119386.db2.gz IDCFPIYUIXEBEJ-LCYFTJDESA-N 0 0 328.711 3.593 50 30 EHEARN N#C[C@H](C(=O)c1cccc2ccsc21)c1nnc2n1CCCCC2 ZINC000253432055 564131870 /nfs/dbraw/zinc/13/18/70/564131870.db2.gz WDBPXVVNYDEENC-CQSZACIVSA-N 0 0 336.420 3.709 50 30 EHEARN Cc1cccc(/N=C2\NC(=O)[C@H](Cc3ccccc3Cl)S2)n1 ZINC000002321775 564132291 /nfs/dbraw/zinc/13/22/91/564132291.db2.gz MSMIAMFXXCCSJH-ZDUSSCGKSA-N 0 0 331.828 3.505 50 30 EHEARN COc1ccc(CCNc2oc(COc3ccccc3)nc2C#N)cc1 ZINC000000108200 564132834 /nfs/dbraw/zinc/13/28/34/564132834.db2.gz VOSCNVPSJVNVQZ-UHFFFAOYSA-N 0 0 349.390 3.788 50 30 EHEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C1=O)CCCC2 ZINC000000102271 564132862 /nfs/dbraw/zinc/13/28/62/564132862.db2.gz XRYKWRWQSDKXKJ-NWDGAFQWSA-N 0 0 346.839 3.521 50 30 EHEARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)c(OC)c1 ZINC000012789369 564135562 /nfs/dbraw/zinc/13/55/62/564135562.db2.gz JXNYGTFZSYOHBQ-SFHVURJKSA-N 0 0 336.391 3.553 50 30 EHEARN CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000328587639 564136541 /nfs/dbraw/zinc/13/65/41/564136541.db2.gz DPQYJCXWXZJGJQ-HZPDHXFCSA-N 0 0 332.400 3.626 50 30 EHEARN N#C[C@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000078787829 564137203 /nfs/dbraw/zinc/13/72/03/564137203.db2.gz NSRQYUCIKBBBIT-GFCCVEGCSA-N 0 0 348.387 3.698 50 30 EHEARN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000330298994 564138347 /nfs/dbraw/zinc/13/83/47/564138347.db2.gz LZGNKFFSDWJMCH-FGTMMUONSA-N 0 0 338.455 3.553 50 30 EHEARN C=CCNC(=O)c1ccc(N2CCC[C@@H]2c2ccccc2Cl)nc1 ZINC000095963791 564142848 /nfs/dbraw/zinc/14/28/48/564142848.db2.gz ZMICHVGDXIEOCZ-QGZVFWFLSA-N 0 0 341.842 3.992 50 30 EHEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(OCc2ccncc2)cc1 ZINC000096309011 564146667 /nfs/dbraw/zinc/14/66/67/564146667.db2.gz UTPFYJCFCLSIIK-YVMONPNESA-N 0 0 333.391 3.599 50 30 EHEARN COc1ccccc1C=CC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000096308204 564146676 /nfs/dbraw/zinc/14/66/76/564146676.db2.gz BNVBDEMPOSOONH-DEBLGDTFSA-N 0 0 346.308 3.999 50 30 EHEARN C=CCc1cc(/C=C\C(=O)c2ccc3c(c2)CC(=O)N3)cc(OC)c1O ZINC000096314004 564146739 /nfs/dbraw/zinc/14/67/39/564146739.db2.gz XWTDBPPWAXILRI-YVMONPNESA-N 0 0 349.386 3.520 50 30 EHEARN N#C[C@@]1(NC(=O)c2cccc(OC3CCCCC3)c2)CCSC1 ZINC000096414369 564147690 /nfs/dbraw/zinc/14/76/90/564147690.db2.gz USTAAJHNZYIPLM-SFHVURJKSA-N 0 0 330.453 3.527 50 30 EHEARN C#Cc1cccc(NC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000096446185 564148206 /nfs/dbraw/zinc/14/82/06/564148206.db2.gz QKIRUFPJVMAGGK-SHACYNPGSA-N 0 0 340.448 3.630 50 30 EHEARN C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002886794 564152908 /nfs/dbraw/zinc/15/29/08/564152908.db2.gz MWWNFBMMPFQKBZ-ZDUSSCGKSA-N 0 0 331.485 3.702 50 30 EHEARN N#Cc1c2sc3ccccc3n2c(=O)nc1C(Cl)(Cl)Cl ZINC000003277604 564156869 /nfs/dbraw/zinc/15/68/69/564156869.db2.gz SKLIAKMYEVHYQH-UHFFFAOYSA-N 0 0 344.610 3.608 50 30 EHEARN Cc1ccc2c(c1)/C(=N\N=C1/C[C@@H](c3ccccc3)N=N1)C(=O)N2C ZINC000004184936 564161048 /nfs/dbraw/zinc/16/10/48/564161048.db2.gz ZXQMACJDUQSWQI-PGCVFWDUSA-N 0 0 331.379 3.671 50 30 EHEARN N#Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000008704847 564166424 /nfs/dbraw/zinc/16/64/24/564166424.db2.gz BXLJBDCITHGUBD-UHFFFAOYSA-N 0 0 337.326 3.703 50 30 EHEARN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000069438988 564169512 /nfs/dbraw/zinc/16/95/12/564169512.db2.gz TUVCFZAWNLJBGE-SNVBAGLBSA-N 0 0 326.227 4.000 50 30 EHEARN CCO[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069846646 564172496 /nfs/dbraw/zinc/17/24/96/564172496.db2.gz RJPHRNBNGAHWLJ-NXEZZACHSA-N 0 0 336.363 3.690 50 30 EHEARN CS[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000069879387 564172633 /nfs/dbraw/zinc/17/26/33/564172633.db2.gz JKAWIHLXSMGEKE-GWCFXTLKSA-N 0 0 327.434 3.610 50 30 EHEARN CC(=O)N1CCCCC[C@@H]1C1CCN(c2cccc(F)c2C#N)CC1 ZINC000069923879 564172872 /nfs/dbraw/zinc/17/28/72/564172872.db2.gz ANKWSFFKGCTGER-LJQANCHMSA-N 0 0 343.446 3.705 50 30 EHEARN N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccccn1 ZINC000041481748 564173953 /nfs/dbraw/zinc/17/39/53/564173953.db2.gz NDPKPYIVXSDYIH-GOSISDBHSA-N 0 0 344.345 3.942 50 30 EHEARN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccsc1 ZINC000009975829 564174979 /nfs/dbraw/zinc/17/49/79/564174979.db2.gz ZYPSCTOGBFAVSV-UHFFFAOYSA-N 0 0 347.871 3.780 50 30 EHEARN N#Cc1ccc(CNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000071796381 564175363 /nfs/dbraw/zinc/17/53/63/564175363.db2.gz ZWGDKNDOBTUIAF-INIZCTEOSA-N 0 0 332.325 3.911 50 30 EHEARN C[C@H](C#N)CN(C)c1nc(C(F)(F)F)c(Br)s1 ZINC000418845338 1014845749 /nfs/dbraw/zinc/84/57/49/1014845749.db2.gz VAIFCTAZQIRZSH-RXMQYKEDSA-N 0 0 328.157 3.520 50 30 EHEARN C=CCNc1nnc(S[C@@H](C)C(=O)Nc2cccc(C)c2)s1 ZINC000005784162 1039714867 /nfs/dbraw/zinc/71/48/67/1039714867.db2.gz DEAPOVYLJFUHNI-NSHDSACASA-N 0 0 334.470 3.564 50 30 EHEARN CC1(C)CCc2ccccc2[C@@H](NC(=O)NCC2=CCCOC2)C1 ZINC000329473160 1040245377 /nfs/dbraw/zinc/24/53/77/1040245377.db2.gz ALQKDCCDIVWBHT-SFHVURJKSA-N 0 0 328.456 3.941 50 30 EHEARN C#CCCC1(CCC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)N=N1 ZINC000888095812 1043225465 /nfs/dbraw/zinc/22/54/65/1043225465.db2.gz CDTYJLKAYIQIIG-UHFFFAOYSA-N 0 0 349.394 3.908 50 30 EHEARN CCCc1cc(NC[C@H]2CCCO2)n2c3ccccc3nc2c1C#N ZINC000000352613 1128611119 /nfs/dbraw/zinc/61/11/19/1128611119.db2.gz GJZQMJVPYUXHIO-OAHLLOKOSA-N 0 0 334.423 3.903 50 30 EHEARN COc1cc(/C=C\C(=O)Nc2ccc(F)cc2F)ccc1OCC#N ZINC000033470250 1122747955 /nfs/dbraw/zinc/74/79/55/1122747955.db2.gz INVKZBGPCNCVLI-CLTKARDFSA-N 0 0 344.317 3.528 50 30 EHEARN CC(Cn1nc(C)cc1C)=NOCc1coc(-c2cccs2)n1 ZINC000254856051 1129938560 /nfs/dbraw/zinc/93/85/60/1129938560.db2.gz YFQQOIRYAKUKHH-UHFFFAOYSA-N 0 0 330.413 3.809 50 30 EHEARN COCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(CC#N)c2)o1 ZINC000455899494 1129955209 /nfs/dbraw/zinc/95/52/09/1129955209.db2.gz AQVKNXBUTQQQRB-QGZVFWFLSA-N 0 0 339.395 3.861 50 30 EHEARN C[C@H](c1cccc(C#N)c1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000186521516 1131693191 /nfs/dbraw/zinc/69/31/91/1131693191.db2.gz ISJMXBYFGASNFE-OAHLLOKOSA-N 0 0 346.434 3.599 50 30 EHEARN Cc1cnc(CCNC(=O)c2cccc(C#N)c2)n1C1CCCCC1 ZINC000581816066 1132372171 /nfs/dbraw/zinc/37/21/71/1132372171.db2.gz WQPBHICGTDJYAB-UHFFFAOYSA-N 0 0 336.439 3.541 50 30 EHEARN N#CC1(C(=O)Nc2cccc(-c3nnsc3Cl)c2)CCCC1 ZINC000585125886 1137015249 /nfs/dbraw/zinc/01/52/49/1137015249.db2.gz ICMAQTMZJWWNLE-UHFFFAOYSA-N 0 0 332.816 3.881 50 30 EHEARN C#CCCC1(CCC(=O)NCCn2ccc3cc(Cl)ccc32)N=N1 ZINC000952880890 1137483404 /nfs/dbraw/zinc/48/34/04/1137483404.db2.gz MPAZOALWIRAOSC-UHFFFAOYSA-N 0 0 342.830 3.767 50 30 EHEARN N#Cc1cc(C#N)c(S[C@H]2CCCc3c(Cl)ccnc32)nc1N ZINC000952884255 1137483431 /nfs/dbraw/zinc/48/34/31/1137483431.db2.gz WKHBQELVCVRCHN-ZDUSSCGKSA-N 0 0 341.827 3.625 50 30 EHEARN N#Cc1c(Cl)nsc1NCc1ccc(Cn2cccn2)cc1 ZINC000051499515 214094888 /nfs/dbraw/zinc/09/48/88/214094888.db2.gz FDWLXAJXBGRDOO-UHFFFAOYSA-N 0 0 329.816 3.525 50 30 EHEARN C=CCNc1ccccc1C(=O)N(C)Cc1[nH]nc2c1CCCCC2 ZINC000055359321 214312033 /nfs/dbraw/zinc/31/20/33/214312033.db2.gz JYEWHKLNPWSUJL-UHFFFAOYSA-N 0 0 338.455 3.549 50 30 EHEARN C=CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000004615383 210232321 /nfs/dbraw/zinc/23/23/21/210232321.db2.gz ZXISPOCYBMPBEJ-DTQAZKPQSA-N 0 0 328.437 3.708 50 30 EHEARN O=C1/C(=C/c2cccc3c2OCO3)CC/C1=C\c1cccc2c1OCO2 ZINC000004547288 210219433 /nfs/dbraw/zinc/21/94/33/210219433.db2.gz IFTRWGCRTFWYLC-UTLPMFLDSA-N 0 0 348.354 3.974 50 30 EHEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000100102369 219091778 /nfs/dbraw/zinc/09/17/78/219091778.db2.gz TWZNZPQNHHVXSK-QGZVFWFLSA-N 0 0 345.464 3.915 50 30 EHEARN COC(=O)c1sc(NC(=O)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000004501637 210204628 /nfs/dbraw/zinc/20/46/28/210204628.db2.gz LULJQDKNNUJSFF-UHFFFAOYSA-N 0 0 328.393 3.584 50 30 EHEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000100541944 219101247 /nfs/dbraw/zinc/10/12/47/219101247.db2.gz HUKFNJLFAJILPD-UHFFFAOYSA-N 0 0 336.347 3.606 50 30 EHEARN CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1[N+](=O)[O-] ZINC000100506264 219101556 /nfs/dbraw/zinc/10/15/56/219101556.db2.gz CAJKKQNFKMOZDJ-VXLYETTFSA-N 0 0 340.408 3.833 50 30 EHEARN CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)CCCC1=N2 ZINC000004436114 210191680 /nfs/dbraw/zinc/19/16/80/210191680.db2.gz IGYPKIVCVZTVFB-AWEZNQCLSA-N 0 0 346.843 3.675 50 30 EHEARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1/N=C/N(C)C ZINC000100843672 219108648 /nfs/dbraw/zinc/10/86/48/219108648.db2.gz PNZDGYGQGGIIRP-WOJGMQOQSA-N 0 0 332.425 3.822 50 30 EHEARN O=C1CS/C(=N/N=C/c2ccco2)N1Cc1cccc2ccccc21 ZINC000100847380 219108678 /nfs/dbraw/zinc/10/86/78/219108678.db2.gz NJPQITFBTNXCNQ-UCLIPEMJSA-N 0 0 349.415 3.898 50 30 EHEARN O=C1c2ccccc2C(=O)C(N2CCCC2)=C1Nc1ccc(F)cc1 ZINC000004104157 210120417 /nfs/dbraw/zinc/12/04/17/210120417.db2.gz FNRCONXXJWWUNP-UHFFFAOYSA-N 0 0 336.366 3.624 50 30 EHEARN Cc1sc2ncnc(N=NCc3ccc([N+](=O)[O-])cc3)c2c1C ZINC000004017200 210099795 /nfs/dbraw/zinc/09/97/95/210099795.db2.gz OVQRZXOLLMIDOQ-CNHKJKLMSA-N 0 0 327.369 3.662 50 30 EHEARN N#C[C@@H](NC(=O)CCc1ccccn1)c1cccc(Cl)c1Cl ZINC000066392340 215038735 /nfs/dbraw/zinc/03/87/35/215038735.db2.gz YAIZNCQLPLKGNX-CQSZACIVSA-N 0 0 334.206 3.702 50 30 EHEARN Cc1nccc(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)n1 ZINC000044977102 213697948 /nfs/dbraw/zinc/69/79/48/213697948.db2.gz YLTRXNJLSYZLGV-UHFFFAOYSA-N 0 0 327.750 3.610 50 30 EHEARN N#Cc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000066687703 215068744 /nfs/dbraw/zinc/06/87/44/215068744.db2.gz RWMLVFUMHHMYBG-KRWDZBQOSA-N 0 0 344.773 3.564 50 30 EHEARN CCOC(=O)[C@](C#N)(C/C=C/CCOC)[C@@](C)(C#N)c1ccccc1 ZINC000044125011 213609469 /nfs/dbraw/zinc/60/94/69/213609469.db2.gz HDVWKTGMFLOJQL-XCBOUCJHSA-N 0 0 340.423 3.524 50 30 EHEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC1CCCC1 ZINC000003315433 210004979 /nfs/dbraw/zinc/00/49/79/210004979.db2.gz UYSRVBAKTLXDCA-UHFFFAOYSA-N 0 0 334.803 3.664 50 30 EHEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCOC3)sc2C1 ZINC000069322970 215377585 /nfs/dbraw/zinc/37/75/85/215377585.db2.gz JGWSCLAZFUFWOP-VXGBXAGGSA-N 0 0 332.469 3.746 50 30 EHEARN CCOCCC/N=C1\SC[C@H](CC)N1C(=O)c1ccc(F)cc1 ZINC000105809463 219536588 /nfs/dbraw/zinc/53/65/88/219536588.db2.gz RQKYDJYJVUAQQP-DXQAYGFFSA-N 0 0 338.448 3.576 50 30 EHEARN N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NCCc1ccccc1 ZINC000035672459 213045114 /nfs/dbraw/zinc/04/51/14/213045114.db2.gz OVZCSQAJLPBOPT-UHFFFAOYSA-N 0 0 334.335 3.776 50 30 EHEARN COc1cc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc(OC)c1OC ZINC000071752450 215808369 /nfs/dbraw/zinc/80/83/69/215808369.db2.gz KYFHMXCZGVOYSV-UHFFFAOYSA-N 0 0 341.411 3.526 50 30 EHEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)NC1CCCC1 ZINC000033011237 212887870 /nfs/dbraw/zinc/88/78/70/212887870.db2.gz FCTZCSKCNBPULJ-UHFFFAOYSA-N 0 0 337.448 3.771 50 30 EHEARN CC(=O)Nc1cccc(-c2cc([C@@H]3CC=CCC3)c(C#N)c(N)n2)c1 ZINC000072157548 216047498 /nfs/dbraw/zinc/04/74/98/216047498.db2.gz NQKKZBOFRAQJEE-CQSZACIVSA-N 0 0 332.407 3.985 50 30 EHEARN CC(=O)Nc1cccc(-c2cc([C@H]3CC=CCC3)c(C#N)c(N)n2)c1 ZINC000072157547 216047517 /nfs/dbraw/zinc/04/75/17/216047517.db2.gz NQKKZBOFRAQJEE-AWEZNQCLSA-N 0 0 332.407 3.985 50 30 EHEARN C[C@@H](CC#N)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000072232577 216073404 /nfs/dbraw/zinc/07/34/04/216073404.db2.gz VQRMRORPNVHYSB-LBPRGKRZSA-N 0 0 330.382 3.836 50 30 EHEARN COc1ccc(OCc2nc(C#N)c(N(C)Cc3ccccc3)o2)cc1 ZINC000000108461 209425304 /nfs/dbraw/zinc/42/53/04/209425304.db2.gz GYIZTBAYWDUIGC-UHFFFAOYSA-N 0 0 349.390 3.770 50 30 EHEARN CCOc1ccccc1/C=N/c1sc2c(c1C(N)=O)CCCC2 ZINC000000066912 209398315 /nfs/dbraw/zinc/39/83/15/209398315.db2.gz LGGVUBHXUCXYMG-RGVLZGJSSA-N 0 0 328.437 3.875 50 30 EHEARN Cc1sc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(C(N)=O)c1C ZINC000000054070 209392114 /nfs/dbraw/zinc/39/21/14/209392114.db2.gz VDWVERUDMQFDCN-UBKPWBPPSA-N 0 0 337.788 3.776 50 30 EHEARN Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(C)c1 ZINC000000050045 209390731 /nfs/dbraw/zinc/39/07/31/209390731.db2.gz VLTUWHDHDZQNCY-UHFFFAOYSA-N 0 0 325.437 3.918 50 30 EHEARN Cc1cc(C[C@@H](C)n2ccnc2-c2ccc(C#CC(C)(C)O)cc2)n[nH]1 ZINC000072427193 216217679 /nfs/dbraw/zinc/21/76/79/216217679.db2.gz JBBKMRKCSUYUED-MRXNPFEDSA-N 0 0 348.450 3.508 50 30 EHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000023485057 212379709 /nfs/dbraw/zinc/37/97/09/212379709.db2.gz FVSYDJLVACZPLK-DJSGYFEHSA-N 0 0 331.485 3.603 50 30 EHEARN C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000022608033 212310016 /nfs/dbraw/zinc/31/00/16/212310016.db2.gz WIPWTIYHQPDTJC-VXJOIVPMSA-N 0 0 349.221 3.853 50 30 EHEARN C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022107570 212277702 /nfs/dbraw/zinc/27/77/02/212277702.db2.gz IATKSYNVQJOVIS-PGMHBOJBSA-N 0 0 327.859 3.882 50 30 EHEARN CC[C@@H](C(=O)N1CCC(Nc2cnccc2C#N)CC1)c1ccccc1 ZINC000225593011 241940157 /nfs/dbraw/zinc/94/01/57/241940157.db2.gz PNWRXJZNYVSLFQ-LJQANCHMSA-N 0 0 348.450 3.550 50 30 EHEARN CNc1nc(Nc2cccc(OC)c2)c(C#N)c2c1COC(C)(C)C2 ZINC000020590142 212149780 /nfs/dbraw/zinc/14/97/80/212149780.db2.gz PNZDAOKBOYNGAS-UHFFFAOYSA-N 0 0 338.411 3.598 50 30 EHEARN C[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)C1 ZINC000020518115 212142959 /nfs/dbraw/zinc/14/29/59/212142959.db2.gz QZDSHNHVLIJZHD-VQIMKDEXSA-N 0 0 339.391 3.833 50 30 aggregator,biogenic EHEARN COC(=O)c1ccccc1N(C(=O)c1ccc(C#N)cc1)C1CCC1 ZINC000253427639 243970242 /nfs/dbraw/zinc/97/02/42/243970242.db2.gz CXISIKSPGCCCEK-UHFFFAOYSA-N 0 0 334.375 3.544 50 30 EHEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)cc1OC ZINC000020389434 212125110 /nfs/dbraw/zinc/12/51/10/212125110.db2.gz HKBZADPZFFILTR-UHFFFAOYSA-N 0 0 331.375 3.887 50 30 EHEARN N#Cc1c(N)nc(-c2ccc(F)cc2)cc1-c1cccc([N+](=O)[O-])c1 ZINC000019331242 212016852 /nfs/dbraw/zinc/01/68/52/212016852.db2.gz ORAIPDXFPJPWRK-UHFFFAOYSA-N 0 0 334.310 3.917 50 30 EHEARN CCC(=O)N=C(NC(=O)CC)Nc1nc(C)c2cc(C)cc(C)c2n1 ZINC000013756515 211631074 /nfs/dbraw/zinc/63/10/74/211631074.db2.gz BQLHJZKUBMRUQT-UHFFFAOYSA-N 0 0 341.415 3.626 50 30 EHEARN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)c1 ZINC000012462719 211388639 /nfs/dbraw/zinc/38/86/39/211388639.db2.gz GPJGQJWUWZTGPT-SFQUDFHCSA-N 0 0 337.448 3.953 50 30 EHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccc(Cl)cc2)C1 ZINC000012390032 211366518 /nfs/dbraw/zinc/36/65/18/211366518.db2.gz YESOITNYQCSOMC-CQSZACIVSA-N 0 0 344.802 3.945 50 30 EHEARN Cc1ccc(C(=O)CCC(=O)OCc2cc(C#N)ccc2F)cc1 ZINC000010539832 211178739 /nfs/dbraw/zinc/17/87/39/211178739.db2.gz VVLNKPYVUSOJNE-UHFFFAOYSA-N 0 0 325.339 3.712 50 30 EHEARN CN(CCCC#N)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008944650 211022372 /nfs/dbraw/zinc/02/23/72/211022372.db2.gz IJYOUIWAEUTJAN-UHFFFAOYSA-N 0 0 333.741 3.533 50 30 EHEARN C[C@@H](NC(=O)CSc1ncccc1C#N)c1cc2ccccc2o1 ZINC000008745081 210995988 /nfs/dbraw/zinc/99/59/88/210995988.db2.gz BSGLHFPXZZRLQD-GFCCVEGCSA-N 0 0 337.404 3.669 50 30 EHEARN N#C[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1Cl ZINC000095439530 218382923 /nfs/dbraw/zinc/38/29/23/218382923.db2.gz PXGMCCOZEKUFRJ-TZMCWYRMSA-N 0 0 347.827 3.643 50 30 EHEARN Cc1cc([C@H](C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)nc(C)n1 ZINC000095455131 218398009 /nfs/dbraw/zinc/39/80/09/218398009.db2.gz VJPNWQSZWXHBHZ-NSHDSACASA-N 0 0 335.194 3.646 50 30 EHEARN CCc1cc2c(nc3n(c2=O)CC/C3=C\c2ccc(C#N)cc2)s1 ZINC000007159692 210763253 /nfs/dbraw/zinc/76/32/53/210763253.db2.gz SQQIZUZYMGVUJI-NTEUORMPSA-N 0 0 333.416 3.836 50 30 EHEARN C=C(C)CSc1nc2ccc(Br)cc2c(=O)n1CC ZINC000006700685 210683573 /nfs/dbraw/zinc/68/35/73/210683573.db2.gz HMDANRBJYPHFJJ-UHFFFAOYSA-N 0 0 339.258 3.847 50 30 EHEARN C[C@H](Sc1nc2ccccc2o1)C(=O)NC1(C#N)CCCCC1 ZINC000005628879 210505614 /nfs/dbraw/zinc/50/56/14/210505614.db2.gz KFEPIMNMYAZMJC-LBPRGKRZSA-N 0 0 329.425 3.651 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1O ZINC000005129782 210397050 /nfs/dbraw/zinc/39/70/50/210397050.db2.gz GXZKBPPDEDNUKX-DUXPYHPUSA-N 0 0 346.766 3.722 50 30 EHEARN CCSC1=N/C(=C\c2ccc(OC(C)=O)c(Cl)c2)C(=O)S1 ZINC000004952955 210337122 /nfs/dbraw/zinc/33/71/22/210337122.db2.gz WOAAKLZSXJORKK-XFFZJAGNSA-N 0 0 341.841 3.989 50 30 EHEARN O=[N+]([O-])c1ccc(-c2cnc(N=NCc3ccc(F)cc3)nc2)cc1 ZINC000004947322 210336170 /nfs/dbraw/zinc/33/61/70/210336170.db2.gz PJCZXZYUZNOWNO-ZVBGSRNCSA-N 0 0 337.314 3.637 50 30 EHEARN O=[N+]([O-])c1cccc(CN=Nc2nnc(Cl)c3ccccc32)c1 ZINC000004811522 210282976 /nfs/dbraw/zinc/28/29/76/210282976.db2.gz UXNBRNASCNCLGL-RQZCQDPDSA-N 0 0 327.731 3.637 50 30 EHEARN C=CCc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(OC)c1OC ZINC000004770668 210273737 /nfs/dbraw/zinc/27/37/37/210273737.db2.gz YWFHAOJQZVYDQA-BQYQJAHWSA-N 0 0 330.340 3.807 50 30 EHEARN CCOc1ccccc1/C=C\C(=O)c1cccc(N2CCOCC2)c1 ZINC000096931845 257839256 /nfs/dbraw/zinc/83/92/56/257839256.db2.gz JTVPTOUZEZQCMO-KHPPLWFESA-N 0 0 337.419 3.818 50 30 EHEARN Cc1ccc(C(=O)ONC(=N)c2cccc(Br)c2)cc1C ZINC000008575265 257951340 /nfs/dbraw/zinc/95/13/40/257951340.db2.gz KPYBPWMKCZSREN-UHFFFAOYSA-N 0 0 347.212 3.543 50 30 EHEARN Cc1noc([C@H]2CCCN(c3cc(C#N)ccc3C(F)(F)F)C2)n1 ZINC000122045691 257974852 /nfs/dbraw/zinc/97/48/52/257974852.db2.gz IIDSLEHTUFBYDI-LBPRGKRZSA-N 0 0 336.317 3.653 50 30 EHEARN C=CC(=O)N[C@@H](c1noc(C)n1)c1ccccc1OC(F)(F)F ZINC000328597940 258041982 /nfs/dbraw/zinc/04/19/82/258041982.db2.gz JNKJQYSLQOJQCY-GFCCVEGCSA-N 0 0 327.262 3.509 50 30 EHEARN C=C(C)[C@@H](NC(=O)N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1 ZINC000369007249 258001885 /nfs/dbraw/zinc/00/18/85/258001885.db2.gz CTRVWEJSRLDCCT-HZPDHXFCSA-N 0 0 346.381 3.682 50 30 EHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O ZINC000009420896 258003061 /nfs/dbraw/zinc/00/30/61/258003061.db2.gz VMUSCGWUNUNNHY-ZDLGFXPLSA-N 0 0 338.359 3.553 50 30 biogenic EHEARN C=CCn1cc(CN[C@@H](c2ccncc2)c2ccc(C)cc2)c(C)n1 ZINC000055060939 258014521 /nfs/dbraw/zinc/01/45/21/258014521.db2.gz DVQBZZOCWFLEKU-OAQYLSRUSA-N 0 0 332.451 3.960 50 30 EHEARN C=CCN(Cc1ccc(Cl)s1)Cn1ncc2ccccc2c1=O ZINC000028706378 258015933 /nfs/dbraw/zinc/01/59/33/258015933.db2.gz RINOHFNUGFFCPX-UHFFFAOYSA-N 0 0 345.855 3.757 50 30 EHEARN Cc1ccc(-c2nnc(SCC#CCOC(=O)C(C)(C)C)o2)cc1 ZINC000002479146 258016316 /nfs/dbraw/zinc/01/63/16/258016316.db2.gz VCEYKRUHSQQXOS-UHFFFAOYSA-N 0 0 344.436 3.730 50 30 EHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000020432259 258057122 /nfs/dbraw/zinc/05/71/22/258057122.db2.gz CDNOFXHQJUJZNU-SFHVURJKSA-N 0 0 345.398 3.818 50 30 EHEARN Cc1nc(CN2CCC(CNc3cccc(F)c3C#N)CC2)oc1C ZINC000071894598 258064133 /nfs/dbraw/zinc/06/41/33/258064133.db2.gz TXKRPGMSBHOMDT-UHFFFAOYSA-N 0 0 342.418 3.626 50 30 EHEARN CON=C1C[C@@H](C)Cc2nnc(-c3ccc(Br)cc3)cc21 ZINC000245240216 258073021 /nfs/dbraw/zinc/07/30/21/258073021.db2.gz NQKXIUCEXZBZGY-JTQLQIEISA-N 0 0 346.228 3.839 50 30 EHEARN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000257346272 258073639 /nfs/dbraw/zinc/07/36/39/258073639.db2.gz XDMKIFRLARGPLV-IHTHKWLKSA-N 0 0 328.452 3.903 50 30 EHEARN C[C@H]1CCc2ccccc2N1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000040123067 132398971 /nfs/dbraw/zinc/39/89/71/132398971.db2.gz OATVOEDGGWHAJQ-HNNXBMFYSA-N 0 0 334.423 3.521 50 30 EHEARN Brc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1 ZINC000015685367 135708177 /nfs/dbraw/zinc/70/81/77/135708177.db2.gz XPFKTEAJOXRIJS-RGEXLXHISA-N 0 0 344.256 3.605 50 30 EHEARN C=C(C)[C@H](NC(=O)N[C@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1 ZINC000328588367 518644993 /nfs/dbraw/zinc/64/49/93/518644993.db2.gz CTRVWEJSRLDCCT-HOTGVXAUSA-N 0 0 346.381 3.886 50 30 EHEARN C=CCn1cc(CN(C)[C@@H](C)c2ccc(OC)cc2OC)c(C)n1 ZINC000055132038 519278336 /nfs/dbraw/zinc/27/83/36/519278336.db2.gz SDWFXJBYLWRVLD-HNNXBMFYSA-N 0 0 329.444 3.588 50 30 EHEARN CCCCCCC[C@]1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000101662124 520070694 /nfs/dbraw/zinc/07/06/94/520070694.db2.gz VLKSRFNWMJSKID-IBGZPJMESA-N 0 0 327.428 3.729 50 30 EHEARN CCOC(=O)C1=C(C)NC(=Cc2cccc(Oc3ccccc3)c2)C1=O ZINC000003666063 520478772 /nfs/dbraw/zinc/47/87/72/520478772.db2.gz ZOTLHLCIJWXKLG-QGOAFFKASA-N 0 0 349.386 3.829 50 30 EHEARN CCC(=O)Nc1cccc(C(=O)N(CC#Cc2ccccc2)C2CC2)c1 ZINC000055225652 521221315 /nfs/dbraw/zinc/22/13/15/521221315.db2.gz KVDOLQHMPXGIGI-UHFFFAOYSA-N 0 0 346.430 3.691 50 30 EHEARN CCOC(=O)c1ccc(NC2=CC(=O)C[C@@H](c3ccco3)C2)cc1 ZINC000000441213 521518783 /nfs/dbraw/zinc/51/87/83/521518783.db2.gz LYZKDCURNVNBDU-AWEZNQCLSA-N 0 0 325.364 3.899 50 30 EHEARN CCc1ccccc1OCC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555107 521919370 /nfs/dbraw/zinc/91/93/70/521919370.db2.gz VBAZPPMCXWAACB-CQSZACIVSA-N 0 0 348.324 3.918 50 30 EHEARN COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1O ZINC000006341243 521939879 /nfs/dbraw/zinc/93/98/79/521939879.db2.gz NHGXSQWCNNSKFW-GQCTYLIASA-N 0 0 348.782 3.968 50 30 EHEARN COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc(F)c1 ZINC000004320991 521950354 /nfs/dbraw/zinc/95/03/54/521950354.db2.gz BROYBEXFLWWCHR-CXUHLZMHSA-N 0 0 341.338 3.729 50 30 EHEARN CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)C1(C#N)CCOCC1 ZINC000131434225 522614833 /nfs/dbraw/zinc/61/48/33/522614833.db2.gz XIHQWQXUHWNARW-INIZCTEOSA-N 0 0 346.496 3.611 50 30 EHEARN COc1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000096265926 523434855 /nfs/dbraw/zinc/43/48/55/523434855.db2.gz LVNBLSXWXAFLQC-WCIBSUBMSA-N 0 0 337.419 3.552 50 30 EHEARN COc1ccc(C(=O)C[C@@H](C#N)c2ccc(OC)cc2OC)cc1 ZINC000034533371 523592330 /nfs/dbraw/zinc/59/23/30/523592330.db2.gz QFQPOCFEJAAGHP-AWEZNQCLSA-N 0 0 325.364 3.593 50 30 EHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)CC1CCCC1 ZINC000012542426 524033720 /nfs/dbraw/zinc/03/37/20/524033720.db2.gz URISUGYFTKXVSX-UYRXBGFRSA-N 0 0 341.451 3.991 50 30 EHEARN COc1ccc(OC)c(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 ZINC000004322970 524800031 /nfs/dbraw/zinc/80/00/31/524800031.db2.gz ZHCRUTSLPNCPRY-VMPITWQZSA-N 0 0 328.364 3.617 50 30 EHEARN Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CC#N)cc2)n1 ZINC000064746727 525304387 /nfs/dbraw/zinc/30/43/87/525304387.db2.gz WMBYJVXSANGBLN-UHFFFAOYSA-N 0 0 345.410 3.939 50 30 EHEARN C[C@H](C#N)CSc1ccccc1NCC(=O)NCc1cccs1 ZINC000069737156 525922257 /nfs/dbraw/zinc/92/22/57/525922257.db2.gz WVOWMXSTTXUFJD-CYBMUJFWSA-N 0 0 345.493 3.728 50 30 EHEARN N#C[C@H](NC(=O)c1cnn2c1CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000128156981 526509746 /nfs/dbraw/zinc/50/97/46/526509746.db2.gz ACPQFPDFUDBHCS-AWEZNQCLSA-N 0 0 349.221 3.521 50 30 EHEARN N#C[C@@H](NC(=O)CCc1cscn1)c1ccc(Cl)c(Cl)c1 ZINC000071890194 563421304 /nfs/dbraw/zinc/42/13/04/563421304.db2.gz RNWUOMUARIOONI-CYBMUJFWSA-N 0 0 340.235 3.764 50 30 EHEARN COc1cc(NC2=CC(=O)C(=O)c3ccccc32)c(OC)cc1Cl ZINC000003117896 563472688 /nfs/dbraw/zinc/47/26/88/563472688.db2.gz DZOTXDJDIFYXKB-UHFFFAOYSA-N 0 0 343.766 3.576 50 30 EHEARN Cc1nc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)ccc1C#N ZINC000071914784 563614858 /nfs/dbraw/zinc/61/48/58/563614858.db2.gz DPFHPNAYCJLGRY-LBPRGKRZSA-N 0 0 327.815 3.618 50 30 EHEARN COCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N\c1ccccc1 ZINC000002807585 563617612 /nfs/dbraw/zinc/61/76/12/563617612.db2.gz CMEIGAZCGWOWPZ-CEVXTBJXSA-N 0 0 342.420 3.838 50 30 EHEARN CC(=CN=Nc1nnc2c3ccccc3n(C)c2n1)Cc1ccco1 ZINC000015016344 563772393 /nfs/dbraw/zinc/77/23/93/563772393.db2.gz GGLVZSUBFKMENU-WHVSFRINSA-N 0 0 332.367 3.611 50 30 EHEARN C=CCN([C@H]1CCc2ccccc21)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000032916404 563814885 /nfs/dbraw/zinc/81/48/85/563814885.db2.gz GHTHVPNKOYQCSD-SFHVURJKSA-N 0 0 349.402 3.829 50 30 EHEARN Fc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000016677832 563820543 /nfs/dbraw/zinc/82/05/43/563820543.db2.gz AJSRKARIJFFVLH-FYJGNVAPSA-N 0 0 331.822 3.631 50 30 EHEARN CSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000016976789 563828055 /nfs/dbraw/zinc/82/80/55/563828055.db2.gz WWBNLDNPKPOFFG-OAHLLOKOSA-N 0 0 340.452 3.658 50 30 EHEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc(OC)c1 ZINC000017136171 563838142 /nfs/dbraw/zinc/83/81/42/563838142.db2.gz AWCDHJZAAOJCTF-MHWRWJLKSA-N 0 0 340.404 3.595 50 30 EHEARN N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1OCC(F)(F)F ZINC000032930685 563841300 /nfs/dbraw/zinc/84/13/00/563841300.db2.gz FXIRBDMXJYNBSO-UHFFFAOYSA-N 0 0 338.260 3.891 50 30 EHEARN CC(C)c1noc(CCCC(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 ZINC000072271657 563896329 /nfs/dbraw/zinc/89/63/29/563896329.db2.gz SAPXCITYAGQHRM-UHFFFAOYSA-N 0 0 343.431 3.583 50 30 EHEARN CC(=O)N(C)c1nc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cs1 ZINC000058175093 563939065 /nfs/dbraw/zinc/93/90/65/563939065.db2.gz DLLBHKQSELTLIK-MDZDMXLPSA-N 0 0 340.448 3.901 50 30 EHEARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000058265751 563941160 /nfs/dbraw/zinc/94/11/60/563941160.db2.gz CQOKQRVPBUIXLN-JTQLQIEISA-N 0 0 343.774 3.576 50 30 EHEARN CCn1nc(C)c(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c1C ZINC000060378434 563949887 /nfs/dbraw/zinc/94/98/87/563949887.db2.gz JBVZCUKZNMJTAX-ZHACJKMWSA-N 0 0 337.423 3.543 50 30 EHEARN N#Cc1cnn(C(=O)c2sc3cc(Cl)ccc3c2Cl)c1N ZINC000060470699 563963674 /nfs/dbraw/zinc/96/36/74/563963674.db2.gz LJFYWMQHIONLIH-UHFFFAOYSA-N 0 0 337.191 3.547 50 30 EHEARN CC(=O)Nc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1 ZINC000096988689 563966579 /nfs/dbraw/zinc/96/65/79/563966579.db2.gz RZTYZTYPAFPODY-UVTDQMKNSA-N 0 0 325.339 3.833 50 30 EHEARN CC(=O)[C@@]12C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1O2 ZINC000004731253 563971717 /nfs/dbraw/zinc/97/17/17/563971717.db2.gz AEJAEAUKXCTTKY-JRINFJIASA-N 0 0 330.468 3.647 50 30 biogenic EHEARN C#CCN1C(=O)S/C(=C\c2ccc(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000033286649 563972944 /nfs/dbraw/zinc/97/29/44/563972944.db2.gz WUQXYZBTWNWALK-IEMQHYRPSA-N 0 0 345.420 3.542 50 30 EHEARN Cc1nnc(N(C)Cc2ccccc2N2CCCCC2)c(C#N)c1C ZINC000024054994 563991653 /nfs/dbraw/zinc/99/16/53/563991653.db2.gz UCTAJUQCLOCOLN-UHFFFAOYSA-N 0 0 335.455 3.592 50 30 EHEARN Cc1cc(C)nc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3)n2C)n1 ZINC000076090002 564000672 /nfs/dbraw/zinc/00/06/72/564000672.db2.gz WDUHXNCIEFADCG-INIZCTEOSA-N 0 0 330.391 3.589 50 30 EHEARN C=CCc1cccc(O)c1[C@H]1Nc2sc3c(c2C(=O)N1)CCCC3 ZINC000005495034 564004710 /nfs/dbraw/zinc/00/47/10/564004710.db2.gz UYPJNVASAVMJJW-QGZVFWFLSA-N 0 0 340.448 3.915 50 30 EHEARN CCOC(=O)c1ccc(/N=C/Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000016890104 564010482 /nfs/dbraw/zinc/01/04/82/564010482.db2.gz GQCWLVKRYZIQBN-UHFFFAOYSA-N 0 0 340.379 3.812 50 30 EHEARN O=C1ON=C(c2ccccc2)/C1=C\c1ccc(Br)cc1 ZINC000000500105 564018974 /nfs/dbraw/zinc/01/89/74/564018974.db2.gz FBKWRDSLFSGGOP-GXDHUFHOSA-N 0 0 328.165 3.794 50 30 EHEARN C=CCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21 ZINC000000507766 564019758 /nfs/dbraw/zinc/01/97/58/564019758.db2.gz QLVQQMHAPFHDSY-UHFFFAOYSA-N 0 0 343.390 3.605 50 30 EHEARN N#Cc1nc(-c2ccccc2F)oc1NCc1ccc2c(c1)OCO2 ZINC000000535919 564022091 /nfs/dbraw/zinc/02/20/91/564022091.db2.gz AZTYIFZMXCIARO-UHFFFAOYSA-N 0 0 337.310 3.693 50 30 EHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)cc(C)c1 ZINC000103504673 564022565 /nfs/dbraw/zinc/02/25/65/564022565.db2.gz GNVMRRCEYQSPSF-INIZCTEOSA-N 0 0 336.391 3.663 50 30 EHEARN C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000103590648 564022886 /nfs/dbraw/zinc/02/28/86/564022886.db2.gz XUKHTWTYXCXHAE-DOMZBBRYSA-N 0 0 342.345 3.806 50 30 EHEARN COc1cc2c(cc1OC)C(=CC(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)NCC2 ZINC000105354869 564025085 /nfs/dbraw/zinc/02/50/85/564025085.db2.gz ZGZYNBLFEFDTIJ-WYVFTSIXSA-N 0 0 341.451 3.586 50 30 biogenic EHEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2ccccc2C)S1)c1ccccc1 ZINC000005756195 564029085 /nfs/dbraw/zinc/02/90/85/564029085.db2.gz KMJBWWOBPAHOSF-JPOGYNCRSA-N 0 0 337.448 3.549 50 30 EHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OC)cc2)c1C ZINC000005262267 564031893 /nfs/dbraw/zinc/03/18/93/564031893.db2.gz QUAASAKNZXVCPA-DHZHZOJOSA-N 0 0 327.380 3.713 50 30 EHEARN COc1ccc([C@H](CC(=O)c2ccc(N)cc2)C(C#N)C#N)cc1OC ZINC000113480452 564032789 /nfs/dbraw/zinc/03/27/89/564032789.db2.gz LZBFPKPSHGYCGG-PGLQMZEQSA-N 0 0 349.390 3.632 50 30 EHEARN Cc1ccc(N2C(=O)C[C@H](c3cccnc3)C3=C2CCCC3=O)cc1 ZINC000001079534 564054320 /nfs/dbraw/zinc/05/43/20/564054320.db2.gz YBUZHGUOKJOXHS-QGZVFWFLSA-N 0 0 332.403 3.918 50 30 EHEARN CCOc1ccc(C2N=NC(=S)N2N=Cc2sccc2C)cc1 ZINC000005906644 564056902 /nfs/dbraw/zinc/05/69/02/564056902.db2.gz OGXFXKHHICMZCB-LICLKQGHSA-N 0 0 344.465 3.885 50 30 EHEARN N#Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000005928309 564056996 /nfs/dbraw/zinc/05/69/96/564056996.db2.gz LVADQAUZFWCOAU-UHFFFAOYSA-N 0 0 342.811 3.819 50 30 EHEARN CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)C1=CCCC1 ZINC000012556141 564059346 /nfs/dbraw/zinc/05/93/46/564059346.db2.gz GVUOHPHCUNDYER-UHFFFAOYSA-N 0 0 329.469 3.887 50 30 EHEARN COc1ccc(CC(=O)Nc2n[nH]c(-c3ccoc3)n2)c(Cl)c1 ZINC000083927828 564064862 /nfs/dbraw/zinc/06/48/62/564064862.db2.gz CYVINLQNXHKLCN-UHFFFAOYSA-N 0 0 332.747 3.557 50 30 EHEARN C=CCN(CCc1ccccc1)C(=O)c1cc(=O)c2ccccc2o1 ZINC000058265168 564065241 /nfs/dbraw/zinc/06/52/41/564065241.db2.gz NNTHYCUNEASNMF-UHFFFAOYSA-N 0 0 333.387 3.664 50 30 EHEARN C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)CC ZINC000058265011 564065281 /nfs/dbraw/zinc/06/52/81/564065281.db2.gz CXMWNBZXSUOVHY-ZIAGYGMSSA-N 0 0 344.484 3.699 50 30 EHEARN Clc1ccc(C#CCSc2nncn2Cc2ccco2)cc1 ZINC000084432819 564068167 /nfs/dbraw/zinc/06/81/67/564068167.db2.gz FSPLBFKWLATPHT-UHFFFAOYSA-N 0 0 329.812 3.717 50 30 EHEARN C=CCc1cc(C=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000005661117 564070590 /nfs/dbraw/zinc/07/05/90/564070590.db2.gz KLDLUYUWJIBNTA-UHFFFAOYSA-N 0 0 327.336 3.723 50 30 EHEARN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1C1CC1 ZINC000006726808 564070812 /nfs/dbraw/zinc/07/08/12/564070812.db2.gz ZZHMLTNXAVUSSG-UHFFFAOYSA-N 0 0 342.468 3.635 50 30 EHEARN C[C@@H]1CCc2c(sc3ncn(Cc4ccc(C#N)cc4)c(=O)c32)C1 ZINC000006087757 564073751 /nfs/dbraw/zinc/07/37/51/564073751.db2.gz IWVSJHFIHBAJGS-GFCCVEGCSA-N 0 0 335.432 3.503 50 30 EHEARN COc1ccc(NC(=O)c2ccc(C#CC3(O)CCCCC3)cc2)cc1 ZINC000000444738 564074569 /nfs/dbraw/zinc/07/45/69/564074569.db2.gz RGFYRAHVTLIXAU-UHFFFAOYSA-N 0 0 349.430 3.994 50 30 EHEARN C=CCN1C(=O)/C(=C/c2ccc(Br)s2)SC1=S ZINC000001121030 564074669 /nfs/dbraw/zinc/07/46/69/564074669.db2.gz OZAYBCXXQRMQJC-VURMDHGXSA-N 0 0 346.296 3.898 50 30 EHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012860270 564075689 /nfs/dbraw/zinc/07/56/89/564075689.db2.gz VBDAFYUMCNLBPC-LBPRGKRZSA-N 0 0 337.354 3.881 50 30 EHEARN Cc1ccc(S(=O)(=O)N/N=C2\CC[C@]3(C)CCC(C)(C)[C@H]23)cc1 ZINC000071785980 564076306 /nfs/dbraw/zinc/07/63/06/564076306.db2.gz OZSJXZAHZISAIU-QINMPPBMSA-N 0 0 334.485 3.866 50 30 EHEARN C=CCn1c2sc(C)c(C)c2c2nc(-c3ccccc3)nn2c1=O ZINC000032090383 564079306 /nfs/dbraw/zinc/07/93/06/564079306.db2.gz WHCAXUIIVFFYEB-UHFFFAOYSA-N 0 0 336.420 3.576 50 30 EHEARN N#Cc1ccc(NC(=O)Nc2cnn(CC(F)(F)F)c2)cc1Cl ZINC000075145681 564080714 /nfs/dbraw/zinc/08/07/14/564080714.db2.gz HYYRWCBGECQGRD-UHFFFAOYSA-N 0 0 343.696 3.614 50 30 EHEARN N#Cc1cc(Br)ccc1N=Cc1ccc([N+](=O)[O-])cc1 ZINC000252610539 564086946 /nfs/dbraw/zinc/08/69/46/564086946.db2.gz ICHZCEBPOBXNQQ-UHFFFAOYSA-N 0 0 330.141 3.980 50 30 EHEARN CSc1cnn(-c2ccccc2)c1NC(=O)c1cc(C#N)cs1 ZINC000089496627 564090819 /nfs/dbraw/zinc/09/08/19/564090819.db2.gz GAZTXAWRRKOOEB-UHFFFAOYSA-N 0 0 340.433 3.780 50 30 EHEARN N#Cc1ccccc1OCC(=O)OCc1c(Cl)cccc1Cl ZINC000006551637 564091982 /nfs/dbraw/zinc/09/19/82/564091982.db2.gz JIEVXHRIRHRTSN-UHFFFAOYSA-N 0 0 336.174 3.987 50 30 EHEARN Cc1[nH]c(SCC(=O)Nc2ccccc2C#N)nc1-c1ccccc1 ZINC000006697480 564096059 /nfs/dbraw/zinc/09/60/59/564096059.db2.gz MOKZWCLNBGTABS-UHFFFAOYSA-N 0 0 348.431 3.988 50 30 EHEARN CCOc1ccccc1/C([O-])=N/c1c(=O)oc2ccccc2c1NC ZINC000006823461 564098935 /nfs/dbraw/zinc/09/89/35/564098935.db2.gz NNYQHHIRUVWNGH-UHFFFAOYSA-N 0 0 338.363 3.870 50 30 EHEARN CC(C)n1c2ccc(-c3noc(-c4cccc(C#N)c4)n3)cc2oc1=O ZINC000065138335 564101557 /nfs/dbraw/zinc/10/15/57/564101557.db2.gz WMISOPLNZAKQNO-UHFFFAOYSA-N 0 0 346.346 3.764 50 30 EHEARN N#Cc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000006946800 564102083 /nfs/dbraw/zinc/10/20/83/564102083.db2.gz QFPARAQYPRUEOO-UHFFFAOYSA-N 0 0 330.343 3.507 50 30 EHEARN Cc1nn(CC(=O)c2ccc(C3CCCCC3)cc2)c(=O)c(C#N)c1C ZINC000006948087 564102118 /nfs/dbraw/zinc/10/21/18/564102118.db2.gz FSQNFESZVSYHOF-UHFFFAOYSA-N 0 0 349.434 3.662 50 30 EHEARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000007003223 564103028 /nfs/dbraw/zinc/10/30/28/564103028.db2.gz HLRSEDLFLWEAEA-MRXNPFEDSA-N 0 0 348.450 3.988 50 30 EHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2NCC#N ZINC000524730137 564103746 /nfs/dbraw/zinc/10/37/46/564103746.db2.gz WWGMIWNOEKZCJH-TWHJCCPZSA-N 0 0 330.516 3.872 50 30 biogenic EHEARN COc1ccc(Br)cc1COC(=O)c1cccc(C#N)c1 ZINC000007329146 564106838 /nfs/dbraw/zinc/10/68/38/564106838.db2.gz YONQQCBTSOTDBF-UHFFFAOYSA-N 0 0 346.180 3.686 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)c1cccc(-n2cccc2)c1 ZINC000065605745 564108143 /nfs/dbraw/zinc/10/81/43/564108143.db2.gz BBPRQCDNOICABD-UHFFFAOYSA-N 0 0 346.390 3.807 50 30 EHEARN C=CCCC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606025 564109564 /nfs/dbraw/zinc/10/95/64/564109564.db2.gz IQRODVAXWNEFHJ-NSHDSACASA-N 0 0 348.244 3.983 50 30 EHEARN C#Cc1cccc(N(C)S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000170621057 564110296 /nfs/dbraw/zinc/11/02/96/564110296.db2.gz HIZMFIADSAJWHY-UHFFFAOYSA-N 0 0 343.448 3.589 50 30 EHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCCC[C@@H]3C)sc2C1 ZINC000014193818 564112286 /nfs/dbraw/zinc/11/22/86/564112286.db2.gz HCWCJKVCDIZVRX-OLZOCXBDSA-N 0 0 331.485 3.557 50 30 EHEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(Br)s2)cc1 ZINC000252460786 564118685 /nfs/dbraw/zinc/11/86/85/564118685.db2.gz IEZXNLYTSXBLGJ-UHFFFAOYSA-N 0 0 326.175 3.865 50 30 EHEARN C=CCNC(=S)N=NCc1cccc(OCc2cccc(C)c2)c1 ZINC000252477739 564119092 /nfs/dbraw/zinc/11/90/92/564119092.db2.gz UZNTWANBSUDUDQ-UHFFFAOYSA-N 0 0 339.464 3.969 50 30 EHEARN CC(C)O/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003123827 564119108 /nfs/dbraw/zinc/11/91/08/564119108.db2.gz NGCHBWRQYKQNFO-FBMGVBCBSA-N 0 0 337.828 3.901 50 30 EHEARN C(=Nn1cnnc1)c1ccc(Sc2nc3ccccc3s2)o1 ZINC000252591909 564120990 /nfs/dbraw/zinc/12/09/90/564120990.db2.gz BDEBHVMEUOILNX-UHFFFAOYSA-N 0 0 327.394 3.514 50 30 EHEARN C[C@H](NC(=O)c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000027741288 564134333 /nfs/dbraw/zinc/13/43/33/564134333.db2.gz FQQMIBFAHILBLX-NSHDSACASA-N 0 0 329.197 3.812 50 30 EHEARN CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@H](c2ccccc2C#N)C1 ZINC000065489378 564134354 /nfs/dbraw/zinc/13/43/54/564134354.db2.gz IRRMRLGUXHGQMP-RLLQIKCJSA-N 0 0 326.440 3.863 50 30 EHEARN N#Cc1ccc(CNC(=O)CCSCc2ccc(F)cc2)cc1 ZINC000065425694 564134371 /nfs/dbraw/zinc/13/43/71/564134371.db2.gz BENXXCGGOFGJBR-UHFFFAOYSA-N 0 0 328.412 3.637 50 30 EHEARN N#Cc1c(F)cccc1Oc1ncc([N+](=O)[O-])cc1Br ZINC000301856417 564134632 /nfs/dbraw/zinc/13/46/32/564134632.db2.gz RLARNZRYHPXZIB-UHFFFAOYSA-N 0 0 338.092 3.555 50 30 EHEARN N#Cc1ccc(F)c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012998600 564135813 /nfs/dbraw/zinc/13/58/13/564135813.db2.gz SLDRHQBKSDJXRB-GOSISDBHSA-N 0 0 338.382 3.806 50 30 EHEARN CCc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000013327684 564136196 /nfs/dbraw/zinc/13/61/96/564136196.db2.gz OTDISYZKSHWPBM-UHFFFAOYSA-N 0 0 329.425 4.000 50 30 EHEARN C[C@]1(O)CCCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000328588069 564136586 /nfs/dbraw/zinc/13/65/86/564136586.db2.gz PJVADDOSZCITQX-KRWDZBQOSA-N 0 0 337.489 3.973 50 30 EHEARN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc2ccsc21 ZINC000328587966 564136587 /nfs/dbraw/zinc/13/65/87/564136587.db2.gz LPAJTPPTXSLCCV-CQSZACIVSA-N 0 0 338.436 3.665 50 30 EHEARN CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000080455300 564140315 /nfs/dbraw/zinc/14/03/15/564140315.db2.gz UASUIWMRPRVVOR-ZDUSSCGKSA-N 0 0 339.420 3.641 50 30 EHEARN N#CC1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000095995496 564144242 /nfs/dbraw/zinc/14/42/42/564144242.db2.gz FZQJBFFMFPMZNX-UHFFFAOYSA-N 0 0 330.229 3.733 50 30 EHEARN CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000096004343 564144485 /nfs/dbraw/zinc/14/44/85/564144485.db2.gz GTUHVUYOQNOMQJ-PBHICJAKSA-N 0 0 338.423 3.680 50 30 EHEARN COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096190138 564145928 /nfs/dbraw/zinc/14/59/28/564145928.db2.gz UZUPSPGXPBAKIB-KTKRTIGZSA-N 0 0 325.339 3.619 50 30 EHEARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(-c2ccccc2)c1C#N ZINC000096306047 564146653 /nfs/dbraw/zinc/14/66/53/564146653.db2.gz UPZZGMWFEFPNRN-UHFFFAOYSA-N 0 0 335.338 3.727 50 30 EHEARN C[C@@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000096436960 564148073 /nfs/dbraw/zinc/14/80/73/564148073.db2.gz RMGJSHZJJXFLTD-CQSZACIVSA-N 0 0 333.391 3.775 50 30 EHEARN COc1ccccc1[C@H](C#N)NC(=O)c1nc(C)oc1-c1ccccc1 ZINC000097115702 564149454 /nfs/dbraw/zinc/14/94/54/564149454.db2.gz LZHWHCRXHKURJF-INIZCTEOSA-N 0 0 347.374 3.653 50 30 EHEARN C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccccc1C#N ZINC000028042708 564150175 /nfs/dbraw/zinc/15/01/75/564150175.db2.gz FJZOSRIFCXJOOG-LBPRGKRZSA-N 0 0 334.828 3.593 50 30 EHEARN O=C(C=CNc1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1 ZINC000002791315 564152675 /nfs/dbraw/zinc/15/26/75/564152675.db2.gz LXZNUVYSAPOULU-VOTSOKGWSA-N 0 0 347.317 3.868 50 30 EHEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccccc1 ZINC000003199706 564155885 /nfs/dbraw/zinc/15/58/85/564155885.db2.gz XEJRTMXEFCEHRW-KRWDZBQOSA-N 0 0 340.448 3.706 50 30 EHEARN C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCCC1 ZINC000058160174 564157816 /nfs/dbraw/zinc/15/78/16/564157816.db2.gz KMBYLCHZXAZMCJ-OAHLLOKOSA-N 0 0 335.407 3.773 50 30 EHEARN CCOc1ccc(C#N)cc1NCc1nc(Cc2ccccc2)no1 ZINC000058157824 564157826 /nfs/dbraw/zinc/15/78/26/564157826.db2.gz DVUXEFYIUUEDKN-UHFFFAOYSA-N 0 0 334.379 3.543 50 30 EHEARN CCOCCCNc1oc(/C=C/c2ccc(OCC)cc2)nc1C#N ZINC000008253218 564163835 /nfs/dbraw/zinc/16/38/35/564163835.db2.gz ZNJAKAGDZVZACY-DHZHZOJOSA-N 0 0 341.411 3.954 50 30 EHEARN N#Cc1ccsc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008315645 564164245 /nfs/dbraw/zinc/16/42/45/564164245.db2.gz VOEKHGVIEXEEAD-UHFFFAOYSA-N 0 0 334.404 3.935 50 30 EHEARN C=CCOc1ccc(CN(C)C(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC000040152774 564168408 /nfs/dbraw/zinc/16/84/08/564168408.db2.gz DJFLIBNHKCOYIJ-UHFFFAOYSA-N 0 0 339.370 3.539 50 30 EHEARN N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nncs2)cc1 ZINC000069431956 564169429 /nfs/dbraw/zinc/16/94/29/564169429.db2.gz IWRPNEUPUCJGGB-UHFFFAOYSA-N 0 0 340.339 3.593 50 30 EHEARN N#CCCCOc1cccnc1NC(=O)CCc1cc(F)ccc1F ZINC000069460996 564169707 /nfs/dbraw/zinc/16/97/07/564169707.db2.gz LUWDKDBWUDURSK-UHFFFAOYSA-N 0 0 345.349 3.614 50 30 EHEARN CCCCN1c2ccc(NC(=O)c3ccc(C#N)cc3)cc2CCC1=O ZINC000009137113 564170370 /nfs/dbraw/zinc/17/03/70/564170370.db2.gz GEMMJBFEFKUAPJ-UHFFFAOYSA-N 0 0 347.418 3.890 50 30 EHEARN C#Cc1cccc(NC(=O)N2CCC(Nc3cccc(OC)c3)CC2)c1 ZINC000069697621 564171533 /nfs/dbraw/zinc/17/15/33/564171533.db2.gz BSIFIGLESLQYNS-UHFFFAOYSA-N 0 0 349.434 3.785 50 30 EHEARN CC(=O)c1cccc(OCC(=O)N(CCC#N)c2cccc(C)c2)c1 ZINC000069779347 564172163 /nfs/dbraw/zinc/17/21/63/564172163.db2.gz FSHVEADHDCUKDO-UHFFFAOYSA-N 0 0 336.391 3.523 50 30 EHEARN C=CCn1c(C)cc(C(=O)COc2cccc(NC(C)=O)c2)c1C ZINC000009609661 564174316 /nfs/dbraw/zinc/17/43/16/564174316.db2.gz VKHYSOKQFDLPRQ-UHFFFAOYSA-N 0 0 326.396 3.511 50 30 EHEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3cccnc3)n2)cc1 ZINC000005769357 568418085 /nfs/dbraw/zinc/41/80/85/568418085.db2.gz QAYSLLWROURLTA-UHFFFAOYSA-N 0 0 325.353 3.559 50 30 EHEARN