smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C\Cn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000102403063 700475674 /nfs/dbraw/zinc/47/56/74/700475674.db2.gz VUCNZBHBEVYSEU-ALCCZGGFSA-N 0 0 350.488 3.062 50 30 FGEARN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000104308500 700493415 /nfs/dbraw/zinc/49/34/15/700493415.db2.gz IZIGNXRFQCHBAX-JZJYNLBNSA-N 0 0 363.483 3.018 50 30 FGEARN N#CCCCS(=O)(=O)N1CC=C(c2cccc(OC(F)(F)F)c2)CC1 ZINC000888090938 739469818 /nfs/dbraw/zinc/46/98/18/739469818.db2.gz KQILSIIYLGUYEZ-UHFFFAOYSA-N 0 0 374.384 3.308 50 30 FGEARN CC(C)C[C@@H](NC(=O)c1cccc(-c2cccnc2C#N)c1)c1ncnn1C ZINC000299773706 203762735 /nfs/dbraw/zinc/76/27/35/203762735.db2.gz FEXXVFGBYUREOJ-GOSISDBHSA-N 0 0 374.448 3.266 50 30 FGEARN Cn1ncc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C(F)(F)F ZINC000058356382 203804490 /nfs/dbraw/zinc/80/44/90/203804490.db2.gz NYJNSTMWRJWBKM-UHFFFAOYSA-N 0 0 370.334 3.486 50 30 FGEARN CC(=O)Nc1ccc(CN=Nc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])cc1 ZINC000004828571 203829190 /nfs/dbraw/zinc/82/91/90/203829190.db2.gz LVHPGEARSNCWKX-RQZCQDPDSA-N 0 0 357.326 3.216 50 30 FGEARN C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000006625464 203830508 /nfs/dbraw/zinc/83/05/08/203830508.db2.gz GBWKOHFFHFEALN-YCRPNKLZSA-N 0 0 373.456 3.414 50 30 FGEARN C=C1[C@H](C(=O)Nc2ccc(OC)cc2)[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000013138443 203854562 /nfs/dbraw/zinc/85/45/62/203854562.db2.gz KOCYPWMJMMKXKE-HDICACEKSA-N 0 0 352.390 3.083 50 30 FGEARN O=S1(=O)CC[C@@H](/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000001464411 204010098 /nfs/dbraw/zinc/01/00/98/204010098.db2.gz ILTSGJHXLVMOIZ-SKCQWOFPSA-N 0 0 371.487 3.207 50 30 FGEARN Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000002937158 204068821 /nfs/dbraw/zinc/06/88/21/204068821.db2.gz BJDAUWUKNORXPY-UHFFFAOYSA-N 0 0 350.494 3.389 50 30 FGEARN CCCCCCCNC(=O)[C@H](CC)NS(=O)(=O)c1ccc(C)cc1 ZINC000003032609 204074457 /nfs/dbraw/zinc/07/44/57/204074457.db2.gz ONQCMRCXNKIXHA-KRWDZBQOSA-N 0 0 354.516 3.139 50 30 FGEARN COC(=O)[C@@](O)(c1ccc(/N=C/c2ccccc2O)cc1)C(F)(F)F ZINC000003103530 204078243 /nfs/dbraw/zinc/07/82/43/204078243.db2.gz GYBCVLBJXMOCJM-CTJICSLTSA-N 0 0 353.296 3.066 50 30 FGEARN O=S1(=O)CC[C@@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000002677920 204050301 /nfs/dbraw/zinc/05/03/01/204050301.db2.gz DZJKWGDBBMEVJK-KOMLCTQHSA-N 0 0 365.458 3.145 50 30 FGEARN Cc1nc(C)c(I)c(Oc2ccc(C#N)cc2)n1 ZINC000004050624 204119203 /nfs/dbraw/zinc/11/92/03/204119203.db2.gz YZGKDCHEALWYAX-UHFFFAOYSA-N 0 0 351.147 3.362 50 30 FGEARN Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1C[C@H]1CCCO1 ZINC000003542553 204106046 /nfs/dbraw/zinc/10/60/46/204106046.db2.gz RLYRRDBIKXVLMU-GOSISDBHSA-N 0 0 366.417 3.195 50 30 FGEARN N#CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000004852632 204169903 /nfs/dbraw/zinc/16/99/03/204169903.db2.gz JLDKCAXZLFJDCP-CQSZACIVSA-N 0 0 353.809 3.398 50 30 FGEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccco4)nc3c2[C@H]1c1ccco1 ZINC000005349009 204204451 /nfs/dbraw/zinc/20/44/51/204204451.db2.gz UAGKEPVJMSTWGP-HNNXBMFYSA-N 0 0 362.345 3.365 50 30 FGEARN O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc(C(F)(F)F)c1 ZINC000004899226 204172579 /nfs/dbraw/zinc/17/25/79/204172579.db2.gz IDKIWPXVDZEQTI-QOJWJBQSSA-N 0 0 367.352 3.463 50 30 FGEARN CN(C)c1ccc(/C=C2\S/C(=N/C(=O)c3ccccc3)NC2=O)cc1 ZINC000004981668 204182370 /nfs/dbraw/zinc/18/23/70/204182370.db2.gz IEMNPRTYGSOZQI-VBKFSLOCSA-N 0 0 351.431 3.153 50 30 FGEARN N#CCSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000004993996 204183137 /nfs/dbraw/zinc/18/31/37/204183137.db2.gz JEJGMEPFXWFCKF-UHFFFAOYSA-N 0 0 367.390 3.370 50 30 FGEARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(O)cc2)C1=O ZINC000005067104 204189044 /nfs/dbraw/zinc/18/90/44/204189044.db2.gz BQQOQZRDWZQMRK-GZTJUZNOSA-N 0 0 353.349 3.409 50 30 FGEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)C2=C(CCCC2=O)N1 ZINC000005918214 204230868 /nfs/dbraw/zinc/23/08/68/204230868.db2.gz FINPHJSROLJOHU-FQEVSTJZSA-N 0 0 360.417 3.083 50 30 FGEARN S=C1N=NC(c2ccccc2Br)N1N=Cc1cccnc1 ZINC000006059948 204235559 /nfs/dbraw/zinc/23/55/59/204235559.db2.gz HSLNZEBFIQWGRJ-RQZCQDPDSA-N 0 0 360.240 3.274 50 30 FGEARN S=C1N=NC(c2ccccc2Br)N1N=Cc1ccncc1 ZINC000006059956 204235591 /nfs/dbraw/zinc/23/55/91/204235591.db2.gz BUCDRJRAYBWNIY-RQZCQDPDSA-N 0 0 360.240 3.274 50 30 FGEARN O=S(=O)(O/N=C1/CCCc2occc21)c1ccc(Br)cc1 ZINC000006221852 204240535 /nfs/dbraw/zinc/24/05/35/204240535.db2.gz RKKJYINLWHCEBK-SSZFMOIBSA-N 0 0 370.224 3.488 50 30 FGEARN O=C1CCCC2=Nc3nnnn3[C@@H](c3ccc(OCc4ccccc4)cc3)C12 ZINC000006885245 204279675 /nfs/dbraw/zinc/27/96/75/204279675.db2.gz BQWUYTFTUJQPBV-FQEVSTJZSA-N 0 0 373.416 3.274 50 30 FGEARN COc1cc(CCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc(OC)c1OC ZINC000008115681 204317825 /nfs/dbraw/zinc/31/78/25/204317825.db2.gz JNSWMLGGBJOFLU-MRXNPFEDSA-N 0 0 372.396 3.165 50 30 FGEARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O ZINC000008707176 204340187 /nfs/dbraw/zinc/34/01/87/204340187.db2.gz IMRACZTUZUNGCL-IBGZPJMESA-N 0 0 369.808 3.058 50 30 FGEARN CC(C)Oc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 ZINC000008844131 204346782 /nfs/dbraw/zinc/34/67/82/204346782.db2.gz LWXAQIQFCCOZMZ-UHFFFAOYSA-N 0 0 362.433 3.077 50 30 FGEARN Cn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(O)c1 ZINC000009043274 204353085 /nfs/dbraw/zinc/35/30/85/204353085.db2.gz XYMXDBANWOSMHM-AWEZNQCLSA-N 0 0 373.368 3.125 50 30 FGEARN COc1ccc(OC)c(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1 ZINC000009088259 204354037 /nfs/dbraw/zinc/35/40/37/204354037.db2.gz OQJLXBDFYSKIFQ-VXLYETTFSA-N 0 0 358.398 3.272 50 30 FGEARN O=C(C1=C(O)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009108935 204354193 /nfs/dbraw/zinc/35/41/93/204354193.db2.gz ZNDAONXNALOKNG-CQSZACIVSA-N 0 0 358.737 3.114 50 30 FGEARN C=CCn1c(SCC(=O)N[C@H](C)CC)nc2cc(Cl)ccc2c1=O ZINC000003427595 204359723 /nfs/dbraw/zinc/35/97/23/204359723.db2.gz ZPGFXNSDPDWIRO-LLVKDONJSA-N 0 0 365.886 3.243 50 30 FGEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccc(F)cc3)C12 ZINC000009483810 204370876 /nfs/dbraw/zinc/37/08/76/204370876.db2.gz HBTMUKJDSLVJGB-KZULUSFZSA-N 0 0 350.353 3.426 50 30 FGEARN CN(C(=O)c1ccc(C#N)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000009544787 204373664 /nfs/dbraw/zinc/37/36/64/204373664.db2.gz FHGRMOWHOLZFHL-UHFFFAOYSA-N 0 0 359.385 3.358 50 30 FGEARN N#CCOc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000010448656 204397311 /nfs/dbraw/zinc/39/73/11/204397311.db2.gz IGGCMMMENSIVJP-UHFFFAOYSA-N 0 0 358.781 3.195 50 30 FGEARN Cc1ccc2c(CC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)coc2c1 ZINC000012569667 204475640 /nfs/dbraw/zinc/47/56/40/204475640.db2.gz KUSOAKCQWVOLKF-UHFFFAOYSA-N 0 0 373.456 3.500 50 30 FGEARN N#Cc1cccc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)c1 ZINC000071195809 205026020 /nfs/dbraw/zinc/02/60/20/205026020.db2.gz CJYBMAFORBAEJM-LJQANCHMSA-N 0 0 355.401 3.218 50 30 FGEARN COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C(C)=O)cs1 ZINC000040131704 205057890 /nfs/dbraw/zinc/05/78/90/205057890.db2.gz IYUJEWJPVDRKFJ-UHFFFAOYSA-N 0 0 359.407 3.024 50 30 FGEARN Cc1ccccc1CN1C[C@@H](c2noc(-c3cccc(C#N)c3)n2)CC1=O ZINC000044214042 205106574 /nfs/dbraw/zinc/10/65/74/205106574.db2.gz QKDSBZXDAYYWLK-SFHVURJKSA-N 0 0 358.401 3.433 50 30 FGEARN Cn1ccnc1CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000057991258 205247719 /nfs/dbraw/zinc/24/77/19/205247719.db2.gz OMYBYJPLZSWNHS-UHFFFAOYSA-N 0 0 373.441 3.283 50 30 FGEARN COc1ccccc1CN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000064838106 205306472 /nfs/dbraw/zinc/30/64/72/205306472.db2.gz UQZWQLAKWWGCPX-UHFFFAOYSA-N 0 0 351.431 3.017 50 30 FGEARN O=c1[nH][nH]c2c1[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 ZINC000018195621 220227426 /nfs/dbraw/zinc/22/74/26/220227426.db2.gz ZQDLAGWGVPQPED-GFCCVEGCSA-N 0 0 360.211 3.442 50 30 FGEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(O)cc3)C12 ZINC000018197396 220227819 /nfs/dbraw/zinc/22/78/19/220227819.db2.gz SFHISNZNWYEXLH-KPZWWZAWSA-N 0 0 364.430 3.461 50 30 FGEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000102927083 205982910 /nfs/dbraw/zinc/98/29/10/205982910.db2.gz YOOFITLLVYVWRW-DPEHCCBOSA-N 0 0 361.781 3.001 50 30 FGEARN C=CCn1c(=O)c2c(ncn2CCC)n(-c2ccc(C(C)C)cc2)c1=O ZINC000037559368 206053487 /nfs/dbraw/zinc/05/34/87/206053487.db2.gz JOMYHRDUXOPXNP-UHFFFAOYSA-N 0 0 352.438 3.068 50 30 FGEARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C#N)o1 ZINC000003408406 206160392 /nfs/dbraw/zinc/16/03/92/206160392.db2.gz XNRROQOKDWRXQB-UHFFFAOYSA-N 0 0 366.402 3.348 50 30 FGEARN CSc1ccccc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119691 206168251 /nfs/dbraw/zinc/16/82/51/206168251.db2.gz LNVBELXYBUOJSY-OANVXVOSSA-N 0 0 358.385 3.457 50 30 FGEARN C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C ZINC000007550956 206209967 /nfs/dbraw/zinc/20/99/67/206209967.db2.gz XBXHPCSJVWEQBC-AWEZNQCLSA-N 0 0 354.328 3.405 50 30 FGEARN C#CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(OC)c(OC)c1 ZINC000100875385 206225191 /nfs/dbraw/zinc/22/51/91/206225191.db2.gz QMWHMMJDEMBQIW-VZCXRCSSSA-N 0 0 370.405 3.233 50 30 FGEARN Cc1ccc2c(c1)/C(=C1\S/C(=N\c3ccc(F)cc3)NC1=O)C(=O)N2C ZINC000008558659 206217645 /nfs/dbraw/zinc/21/76/45/206217645.db2.gz GFPPYEULFMVOQM-FOCLMDBBSA-N 0 0 367.405 3.372 50 30 FGEARN COc1cccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)c1 ZINC000009328193 206247795 /nfs/dbraw/zinc/24/77/95/206247795.db2.gz AGWMXUVPMLUXMZ-UHFFFAOYSA-N 0 0 364.430 3.337 50 30 FGEARN Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)n2c3ccccc3nc2c1C#N ZINC000169996049 206268789 /nfs/dbraw/zinc/26/87/89/206268789.db2.gz DSWHYWOORHOLIJ-QGZVFWFLSA-N 0 0 360.339 3.171 50 30 FGEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000002704751 206340260 /nfs/dbraw/zinc/34/02/60/206340260.db2.gz OPINVLDTIRJDKO-GOSISDBHSA-N 0 0 363.369 3.238 50 30 FGEARN CC(=O)c1cc(C#N)c(S[C@@H](C)c2nnnn2-c2ccccc2)nc1C ZINC000040089666 220878850 /nfs/dbraw/zinc/87/88/50/220878850.db2.gz SWJXKVFJESCMTJ-ZDUSSCGKSA-N 0 0 364.434 3.293 50 30 FGEARN C[C@H]1CN=C(N2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)S1 ZINC000095972090 132216517 /nfs/dbraw/zinc/21/65/17/132216517.db2.gz MFGIXJRVCFNYRS-NSHDSACASA-N 0 0 354.401 3.190 50 30 FGEARN O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(c2ccccn2)CC1 ZINC000005092779 132256278 /nfs/dbraw/zinc/25/62/78/132256278.db2.gz GJEBVOBWPOHWPZ-UHFFFAOYSA-N 0 0 367.452 3.444 50 30 FGEARN Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CCCC2 ZINC000020590471 132897436 /nfs/dbraw/zinc/89/74/36/132897436.db2.gz NLBGLCVDSXQFTG-UHFFFAOYSA-N 0 0 360.461 3.103 50 30 FGEARN C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2ccccc2)c1C ZINC000002618492 263145531 /nfs/dbraw/zinc/14/55/31/263145531.db2.gz BOZHBZZXVJKPIV-UHFFFAOYSA-N 0 0 353.451 3.242 50 30 FGEARN CN(C)N1C(=O)C[C@@H](c2cc(Br)cs2)C2=C1CCCC2=O ZINC000004721690 263336629 /nfs/dbraw/zinc/33/66/29/263336629.db2.gz LFCRZVYAFRMRPZ-JTQLQIEISA-N 0 0 369.284 3.310 50 30 FGEARN C=CCN1C(=O)/C(=C\c2cccc(Br)c2)C(C(=O)OC)=C1C ZINC000000657033 493767970 /nfs/dbraw/zinc/76/79/70/493767970.db2.gz KREXLNNZGTWYOU-UVTDQMKNSA-N 0 0 362.223 3.308 50 30 FGEARN C=CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000000784857 493772234 /nfs/dbraw/zinc/77/22/34/493772234.db2.gz CSICSPJYHJXDLK-UHFFFAOYSA-N 0 0 369.421 3.452 50 30 FGEARN Cc1cc(C)n2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2n1 ZINC000000821000 493775183 /nfs/dbraw/zinc/77/51/83/493775183.db2.gz VVTXFKCHZJKLNE-UHFFFAOYSA-N 0 0 351.435 3.410 50 30 FGEARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C#N)cc1OC ZINC000000863603 493777444 /nfs/dbraw/zinc/77/74/44/493777444.db2.gz SYJFTPIWPDZSHU-CSKARUKUSA-N 0 0 367.430 3.102 50 30 FGEARN CCOc1ccc(N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(F)cc3)N2)cc1 ZINC000000987725 493781416 /nfs/dbraw/zinc/78/14/16/493781416.db2.gz CMEHVKKHIIWWKI-INIZCTEOSA-N 0 0 370.384 3.169 50 30 FGEARN O=C(Nc1nc2nccc(-c3ccccc3)n2n1)c1cccc([N+](=O)[O-])c1 ZINC000001140380 493787328 /nfs/dbraw/zinc/78/73/28/493787328.db2.gz DHAPWDVALVBZAN-UHFFFAOYSA-N 0 0 360.333 3.336 50 30 FGEARN C=CCN(CC=C)C(=S)NC(=O)c1ccc(OC)c(Br)c1 ZINC000002136589 493802648 /nfs/dbraw/zinc/80/26/48/493802648.db2.gz 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O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1CCCN1c1ccccc1 ZINC000330235289 570871783 /nfs/dbraw/zinc/87/17/83/570871783.db2.gz TVUUNHNIUABNAB-AEFFLSMTSA-N 0 0 351.454 3.071 50 30 FGEARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(-c3ccccn3)n2)C1 ZINC000048326085 570946649 /nfs/dbraw/zinc/94/66/49/570946649.db2.gz VMLPAWDWRSPDMM-LBPRGKRZSA-N 0 0 372.429 3.102 50 30 FGEARN CCCCc1ccc(C(=O)N[C@H](CC(C)C)C(=O)NC2=NO[C@@H](C)C2)cc1 ZINC000670417807 571339079 /nfs/dbraw/zinc/33/90/79/571339079.db2.gz HKUBEFLRTMGJLJ-MAUKXSAKSA-N 0 0 373.497 3.412 50 30 FGEARN C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000022339115 695652437 /nfs/dbraw/zinc/65/24/37/695652437.db2.gz PGQGGNDQUQDCRM-UWVGGRQHSA-N 0 0 352.645 3.300 50 30 FGEARN CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)c(C)c1 ZINC000254850294 713676818 /nfs/dbraw/zinc/67/68/18/713676818.db2.gz WCKZEFILHQSNRF-UHFFFAOYSA-N 0 0 361.423 3.223 50 30 FGEARN C=CCn1c(-c2ccc(Cl)cc2)cnc1S[C@@H](C)C(=O)NC(N)=O ZINC000013135717 203855594 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50 30 FGEARN CN(C)C=[NH+]C([O-])=C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl ZINC000004051843 204119467 /nfs/dbraw/zinc/11/94/67/204119467.db2.gz ZGVSQFYIRSIIAT-GUTLRLRMSA-N 0 0 370.762 3.397 50 30 FGEARN CCN(C(=O)CSc1ncc(C#N)c(N)n1)c1cccc2ccccc21 ZINC000003434247 204100096 /nfs/dbraw/zinc/10/00/96/204100096.db2.gz XULPDMPQWKQTLT-UHFFFAOYSA-N 0 0 363.446 3.229 50 30 FGEARN N#Cc1ccccc1COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000003529343 204104623 /nfs/dbraw/zinc/10/46/23/204104623.db2.gz QJZHRIXMQJCYTJ-UHFFFAOYSA-N 0 0 373.412 3.352 50 30 FGEARN CCOc1cc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)ccc1O ZINC000004770194 204163192 /nfs/dbraw/zinc/16/31/92/204163192.db2.gz WHOFQUMPOAVWNT-INIZCTEOSA-N 0 0 370.409 3.396 50 30 FGEARN N=C(NOC(=O)c1ccc([N+](=O)[O-])cc1)c1c(Cl)cccc1Cl ZINC000004322588 204132497 /nfs/dbraw/zinc/13/24/97/204132497.db2.gz MHJWIQPLVUTQDJ-UHFFFAOYSA-N 0 0 354.149 3.379 50 30 FGEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NCc1ccccn1 ZINC000004322562 204133222 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O=C1Nc2ccccc2/C1=N/NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000005706307 204221744 /nfs/dbraw/zinc/22/17/44/204221744.db2.gz BUMKBKBKYFGVRW-UHFFFAOYSA-N 0 0 364.352 3.348 50 30 FGEARN CCN(CC)c1ccc(C=NN2C(=S)N=NC2c2ccccn2)cc1 ZINC000005793616 204225762 /nfs/dbraw/zinc/22/57/62/204225762.db2.gz VDBWAEUOMIRTDC-DEDYPNTBSA-N 0 0 352.467 3.357 50 30 FGEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005864546 204228541 /nfs/dbraw/zinc/22/85/41/204228541.db2.gz TYBFZGJHKXHJGN-ZDUSSCGKSA-N 0 0 368.462 3.087 50 30 FGEARN COc1ccc(/N=C2\NN=C(c3ccc4c(c3)OCCO4)CS2)cc1 ZINC000005930385 204231522 /nfs/dbraw/zinc/23/15/22/204231522.db2.gz BBZXAVZKZKJCKH-UHFFFAOYSA-N 0 0 355.419 3.195 50 30 FGEARN Cc1ccc2[nH]c(SCc3nc4ccccc4c(=O)n3CC#N)nc2c1 ZINC000006506664 204250811 /nfs/dbraw/zinc/25/08/11/204250811.db2.gz LZEKMDDKWFXBES-UHFFFAOYSA-N 0 0 361.430 3.397 50 30 FGEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccccc2F)cc1 ZINC000006892530 204280604 /nfs/dbraw/zinc/28/06/04/204280604.db2.gz NAERKMZFSOQIAC-YBFXNURJSA-N 0 0 357.414 3.349 50 30 FGEARN CCN(CC)S(=O)(=O)c1ccc(SCc2cccc(C#N)c2)nc1 ZINC000007053556 204288465 /nfs/dbraw/zinc/28/84/65/204288465.db2.gz UCSSAZRQMJCSDX-UHFFFAOYSA-N 0 0 361.492 3.276 50 30 FGEARN CCc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000007268151 204292473 /nfs/dbraw/zinc/29/24/73/204292473.db2.gz KDPCGHOLKKLHPB-HNNXBMFYSA-N 0 0 364.449 3.018 50 30 FGEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O)cc2)cc1 ZINC000006819784 204274012 /nfs/dbraw/zinc/27/40/12/204274012.db2.gz SIRWXHIYXJBENQ-CRAIPNDOSA-N 0 0 363.413 3.405 50 30 FGEARN CCCCNc1nnc(SCC(=O)[C@H](C#N)c2nc(C)cs2)s1 ZINC000007827945 204309076 /nfs/dbraw/zinc/30/90/76/204309076.db2.gz PWEOJYAGWLTUMT-JTQLQIEISA-N 0 0 367.525 3.484 50 30 FGEARN Cc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000008008467 204315883 /nfs/dbraw/zinc/31/58/83/204315883.db2.gz MZGDPGJOHLIXET-HNNXBMFYSA-N 0 0 352.390 3.206 50 30 FGEARN N#Cc1cnc(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nc1N ZINC000009221104 204357898 /nfs/dbraw/zinc/35/78/98/204357898.db2.gz FJFKJXXODDYMNT-INIZCTEOSA-N 0 0 361.430 3.403 50 30 FGEARN COc1ccccc1C=CC=NN1C(=S)NNC1=C1N=NC2=C1CCC2 ZINC000009359334 204365122 /nfs/dbraw/zinc/36/51/22/204365122.db2.gz MPZOEFUTPCPWLC-SPJXWURQSA-N 0 0 366.450 3.002 50 30 FGEARN Cc1nn(-c2nc(C)cc(C)n2)c(NC(=O)CCc2ccccc2)c1C#N ZINC000009489164 204370621 /nfs/dbraw/zinc/37/06/21/204370621.db2.gz AUSHEPWKQAEFGE-UHFFFAOYSA-N 0 0 360.421 3.031 50 30 FGEARN COc1ccc(NC(=NS(=O)(=O)c2ccccc2)C(F)(F)F)cc1 ZINC000012564283 204476392 /nfs/dbraw/zinc/47/63/92/204476392.db2.gz HEWTXJOBCYGJAE-UHFFFAOYSA-N 0 0 358.341 3.457 50 30 FGEARN N#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 ZINC000014255264 204578140 /nfs/dbraw/zinc/57/81/40/204578140.db2.gz XJVYSUFTNUVUJT-UHFFFAOYSA-N 0 0 371.352 3.200 50 30 FGEARN COc1ccc(C=NN=C2C[C@H](c3ccccc3)Cc3n[nH]c(=O)cc32)cc1 ZINC000016511435 204637117 /nfs/dbraw/zinc/63/71/17/204637117.db2.gz AXLLPXUFZZJCLN-RWYUFDCLSA-N 0 0 372.428 3.332 50 30 FGEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N\c3ccccc3)S2)cc1 ZINC000018093557 204659568 /nfs/dbraw/zinc/65/95/68/204659568.db2.gz HWZIJTZOESWHOY-MRXNPFEDSA-N 0 0 369.446 3.333 50 30 FGEARN CC1(C(=O)NCc2ccccc2)CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000021153167 204747497 /nfs/dbraw/zinc/74/74/97/204747497.db2.gz ZGGHXLPSTWUGAE-UHFFFAOYSA-N 0 0 361.445 3.117 50 30 FGEARN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1sccc1C#N ZINC000030010178 204907327 /nfs/dbraw/zinc/90/73/27/204907327.db2.gz UAOQYOIBNYLAIG-QMMMGPOBSA-N 0 0 351.334 3.380 50 30 FGEARN CCc1c[nH]nc1C1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1 ZINC000067967536 205043078 /nfs/dbraw/zinc/04/30/78/205043078.db2.gz QVOMQUXYWDNXQX-UHFFFAOYSA-N 0 0 365.477 3.114 50 30 FGEARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000058391765 205274901 /nfs/dbraw/zinc/27/49/01/205274901.db2.gz SERFDWDEFAWGBS-UHFFFAOYSA-N 0 0 363.406 3.330 50 30 FGEARN CN(C)c1ccc(/N=N/c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1 ZINC000064625042 205301993 /nfs/dbraw/zinc/30/19/93/205301993.db2.gz IBOVDNBDQHYNJI-QZQOTICOSA-N 0 0 366.377 3.389 50 30 in-vitro FGEARN CN(C)c1ccc(CN2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 ZINC000064838188 205305796 /nfs/dbraw/zinc/30/57/96/205305796.db2.gz KZOKKGWBGVJAFO-UHFFFAOYSA-N 0 0 364.474 3.075 50 30 FGEARN N#Cc1ccccc1CN1CCn2nc(C(=O)Nc3ccccc3)cc2C1 ZINC000065425618 205349626 /nfs/dbraw/zinc/34/96/26/205349626.db2.gz NERQGGYORWQEEB-UHFFFAOYSA-N 0 0 357.417 3.023 50 30 FGEARN COc1cc(F)c(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc1OC ZINC000067643019 205378176 /nfs/dbraw/zinc/37/81/76/205378176.db2.gz QZWVPAGMIHLIHC-UHFFFAOYSA-N 0 0 352.369 3.364 50 30 FGEARN N#Cc1cc2c(ccn(Cc3ccc(-c4ccccn4)s3)c2=O)nc1O ZINC000067641752 205379021 /nfs/dbraw/zinc/37/90/21/205379021.db2.gz JFFSBXHYHFOHQR-UHFFFAOYSA-N 0 0 360.398 3.146 50 30 FGEARN Cc1c(-c2ccc(S(C)(=O)=O)cc2)c(C#N)c(N)nc1[C@@H]1CC1(C)C ZINC000071735890 205436087 /nfs/dbraw/zinc/43/60/87/205436087.db2.gz ZZFRKFJRZFEDMB-HNNXBMFYSA-N 0 0 355.463 3.428 50 30 FGEARN C[C@H]1CSc2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2NC1=O 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Cc1nc(C(=O)Nc2ccccc2C#N)nn1-c1ccc(OC(F)F)cc1 ZINC000261490648 497414612 /nfs/dbraw/zinc/41/46/12/497414612.db2.gz RZWRYOWCEWJFMI-UHFFFAOYSA-N 0 0 369.331 3.301 50 30 FGEARN CS(=O)(=O)c1c(F)cc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1F ZINC000328590454 498868611 /nfs/dbraw/zinc/86/86/11/498868611.db2.gz CNDFLDUSXNNHCV-NWDGAFQWSA-N 0 0 352.362 3.155 50 30 FGEARN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329290588 499092307 /nfs/dbraw/zinc/09/23/07/499092307.db2.gz QRBBIQZKAGOZCT-ZACQAIPSSA-N 0 0 350.846 3.121 50 30 FGEARN Cc1cc(S(=O)(=O)N2C[C@H](C)CN(C)c3ccccc32)ccc1C#N ZINC000408436256 499588762 /nfs/dbraw/zinc/58/87/62/499588762.db2.gz APCTXELKCZXZTB-CQSZACIVSA-N 0 0 355.463 3.148 50 30 FGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)c1cc(OC)cc(OC)c1 ZINC000100909930 518340447 /nfs/dbraw/zinc/34/04/47/518340447.db2.gz NILUOIYEDAWIDM-MRCUWXFGSA-N 0 0 366.442 3.403 50 30 FGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000002715707 518340804 /nfs/dbraw/zinc/34/08/04/518340804.db2.gz ZAMNHJFMRXEVHJ-MRCUWXFGSA-N 0 0 364.426 3.157 50 30 FGEARN C=CCC1(OC)CCN(C(=O)c2cc(COc3ccccc3)on2)CC1 ZINC000067724748 518689358 /nfs/dbraw/zinc/68/93/58/518689358.db2.gz UCYGNPDXLLWPQD-UHFFFAOYSA-N 0 0 356.422 3.451 50 30 FGEARN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000055891117 518782532 /nfs/dbraw/zinc/78/25/32/518782532.db2.gz YBEGRUQDOQMHAI-UHFFFAOYSA-N 0 0 373.474 3.236 50 30 FGEARN C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000032724452 518792668 /nfs/dbraw/zinc/79/26/68/518792668.db2.gz VHKALMKIDRISKD-UHFFFAOYSA-N 0 0 353.465 3.142 50 30 FGEARN C=CCN(Cc1nc(-c2ccc(C)s2)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC000020255685 518796749 /nfs/dbraw/zinc/79/67/49/518796749.db2.gz AVTHSFCPMIWMGL-AWEZNQCLSA-N 0 0 366.508 3.195 50 30 FGEARN C=CCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Cc2cccs2)C1 ZINC000034755151 518921863 /nfs/dbraw/zinc/92/18/63/518921863.db2.gz CGUIFAUDUWXZEC-ZWKOTPCHSA-N 0 0 368.502 3.225 50 30 FGEARN C=CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004865883 519026918 /nfs/dbraw/zinc/02/69/18/519026918.db2.gz BNMFSHOYVWHUMG-UHFFFAOYSA-N 0 0 352.434 3.222 50 30 FGEARN C=CCOc1ccccc1CNC(=O)Cc1csc(-c2cnccn2)n1 ZINC000110424909 519071958 /nfs/dbraw/zinc/07/19/58/519071958.db2.gz IQMUIJFTABXJFS-UHFFFAOYSA-N 0 0 366.446 3.024 50 30 FGEARN C=CC[C@H]1C(=O)C=C(OC)[C@@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)O[C@@H]12 ZINC000059589055 519119073 /nfs/dbraw/zinc/11/90/73/519119073.db2.gz COELSLLVNMRXHB-KILKQMEOSA-N 0 0 372.417 3.182 50 30 biogenic,in-vitro FGEARN C=CCn1cnnc1SCC(=O)Nc1ccc(C)cc1Br ZINC000005798385 519285077 /nfs/dbraw/zinc/28/50/77/519285077.db2.gz WDRYRLXBEGCTDD-UHFFFAOYSA-N 0 0 367.272 3.266 50 30 FGEARN CCCNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 ZINC000096765660 519980272 /nfs/dbraw/zinc/98/02/72/519980272.db2.gz CLWURGAHNMKUGG-GHXNOFRVSA-N 0 0 354.431 3.143 50 30 FGEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O ZINC000101662282 520067970 /nfs/dbraw/zinc/06/79/70/520067970.db2.gz KUUAFCYJGIZERO-FQEVSTJZSA-N 0 0 370.453 3.168 50 30 FGEARN CCCOc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 ZINC000020390858 520316711 /nfs/dbraw/zinc/31/67/11/520316711.db2.gz ZUZTXZFTHDSBAJ-UHFFFAOYSA-N 0 0 370.453 3.136 50 30 FGEARN CCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000005451361 520497277 /nfs/dbraw/zinc/49/72/77/520497277.db2.gz OHWFJPBPUZJNCQ-OAHLLOKOSA-N 0 0 352.438 3.475 50 30 FGEARN CCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000001214966 520851723 /nfs/dbraw/zinc/85/17/23/520851723.db2.gz SMCNRWIFKDYJJO-CJLVFECKSA-N 0 0 369.465 3.259 50 30 FGEARN CCCCOc1ccc(C(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004833019 520871186 /nfs/dbraw/zinc/87/11/86/520871186.db2.gz JIFHPNFMJLSTBE-UHFFFAOYSA-N 0 0 357.366 3.251 50 30 FGEARN CCCCOc1ccc([C@H]2C(C(C)=O)C(C)=Nc3ncnn32)cc1OC ZINC000004342115 520896758 /nfs/dbraw/zinc/89/67/58/520896758.db2.gz MAQKIHVEVTXFKK-SFHVURJKSA-N 0 0 356.426 3.344 50 30 FGEARN CCOc1ccc(CN(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000014920079 520962269 /nfs/dbraw/zinc/96/22/69/520962269.db2.gz RTZKVXIEHDGYAN-UHFFFAOYSA-N 0 0 373.497 3.211 50 30 FGEARN CCOc1cccc(C=NN2C(=S)N=NC2COc2ccccc2)c1O ZINC000001475884 521316062 /nfs/dbraw/zinc/31/60/62/521316062.db2.gz JVSGAGZJGIURBX-YBFXNURJSA-N 0 0 370.434 3.132 50 30 FGEARN COc1cc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)ccc1O ZINC000019834005 521987072 /nfs/dbraw/zinc/98/70/72/521987072.db2.gz OMYBLGUPUNQSCB-HYARGMPZSA-N 0 0 353.466 3.169 50 30 FGEARN COc1cc(/C=N/n2cnnc2SCc2ccc(C)cc2)ccc1O ZINC000001780632 522005132 /nfs/dbraw/zinc/00/51/32/522005132.db2.gz JTOUMXYNJURFNK-KEBDBYFISA-N 0 0 354.435 3.475 50 30 FGEARN CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000017074409 522429438 /nfs/dbraw/zinc/42/94/38/522429438.db2.gz RSCLNMUBDWOBCI-RNEAKCBISA-N 0 0 361.423 3.421 50 30 FGEARN CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)c1C ZINC000007873598 523139441 /nfs/dbraw/zinc/13/94/41/523139441.db2.gz DEDYYTPWYGHDPD-INIZCTEOSA-N 0 0 359.470 3.355 50 30 FGEARN CN1C(=O)/C(=C/c2ccco2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000252627887 523674233 /nfs/dbraw/zinc/67/42/33/523674233.db2.gz SDLRKEOANMGCQU-KLAKZEAMSA-N 0 0 369.446 3.350 50 30 FGEARN Cc1ccc(C)c(S(=O)(=O)N/N=C(/c2ccccc2)c2ccccn2)c1 ZINC000020573004 524186222 /nfs/dbraw/zinc/18/62/22/524186222.db2.gz JDZOCOXUHJUFSU-XDOYNYLZSA-N 0 0 365.458 3.429 50 30 FGEARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C\C(=O)c1ccc(C)c(C)c1 ZINC000096843551 526306860 /nfs/dbraw/zinc/30/68/60/526306860.db2.gz YJNKHHSUNAPLCL-ZEVQVBBLSA-N 0 0 372.490 3.372 50 30 FGEARN NC(=NOCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000015572801 526805566 /nfs/dbraw/zinc/80/55/66/526805566.db2.gz VMXATIVNUNWMPT-UHFFFAOYSA-N 0 0 361.873 3.062 50 30 FGEARN Cn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccccc1 ZINC000008851569 527082104 /nfs/dbraw/zinc/08/21/04/527082104.db2.gz QHSMQASPZSEVRI-UHFFFAOYSA-N 0 0 363.446 3.279 50 30 FGEARN O=C(N/C(=N\c1ccc2c(c1)OCO2)NCc1ccncc1)c1ccccc1 ZINC000015729807 527434928 /nfs/dbraw/zinc/43/49/28/527434928.db2.gz CNFPOMURPSMKLZ-UHFFFAOYSA-N 0 0 374.400 3.018 50 30 FGEARN O=C([O-])C1=CCC[N@H+](CCON=C(c2ccccc2)c2ccccc2)C1 ZINC000001534967 527560100 /nfs/dbraw/zinc/56/01/00/527560100.db2.gz NGNALWDRPKNJGR-UHFFFAOYSA-N 0 0 350.418 3.172 50 30 in-vivo FGEARN CC(C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002261242 535175884 /nfs/dbraw/zinc/17/58/84/535175884.db2.gz WVCXCGNDUGATII-HNNXBMFYSA-N 0 0 352.438 3.426 50 30 FGEARN CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc(Cl)cc1 ZINC000001408847 535543916 /nfs/dbraw/zinc/54/39/16/535543916.db2.gz VQZFMCDDHFINEF-LJQANCHMSA-N 0 0 368.824 3.388 50 30 FGEARN COc1nccc(N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c1C#N ZINC000071738887 537144941 /nfs/dbraw/zinc/14/49/41/537144941.db2.gz NCXFARFDWYZVKA-GFCCVEGCSA-N 0 0 357.360 3.339 50 30 FGEARN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1CCCN1c1ccccc1 ZINC000330235290 570871951 /nfs/dbraw/zinc/87/19/51/570871951.db2.gz TVUUNHNIUABNAB-SJLPKXTDSA-N 0 0 351.454 3.071 50 30 FGEARN O=C(N=C(NC[C@@H]1CCCO1)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000046132068 570928814 /nfs/dbraw/zinc/92/88/14/570928814.db2.gz IRJSXQQEGLWWKX-KRWDZBQOSA-N 0 0 359.376 3.342 50 30 FGEARN COc1ccccc1NC(=NC(=O)c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000046131009 571064768 /nfs/dbraw/zinc/06/47/68/571064768.db2.gz QRIZMBZBPQTULK-INIZCTEOSA-N 0 0 371.412 3.211 50 30 FGEARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cn2ccccc2c1C#N ZINC000084409576 571084995 /nfs/dbraw/zinc/08/49/95/571084995.db2.gz ZRDMFODAKNWAIB-KRWDZBQOSA-N 0 0 371.437 3.403 50 30 FGEARN COc1ccc(C=NN2C(=S)N=NC2c2c(C)nc3ccccn32)cc1 ZINC000575442903 571152010 /nfs/dbraw/zinc/15/20/10/571152010.db2.gz RSCDLVLYBDMNHL-YBFXNURJSA-N 0 0 364.434 3.081 50 30 FGEARN CCCCc1ccc(C(=O)N[C@H](CC(C)C)C(=O)NC2=NO[C@H](C)C2)cc1 ZINC000670417806 571339075 /nfs/dbraw/zinc/33/90/75/571339075.db2.gz HKUBEFLRTMGJLJ-CRAIPNDOSA-N 0 0 373.497 3.412 50 30 FGEARN CCCCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NC2=NO[C@H](C)C2)cc1 ZINC000670417808 571339102 /nfs/dbraw/zinc/33/91/02/571339102.db2.gz HKUBEFLRTMGJLJ-QAPCUYQASA-N 0 0 373.497 3.412 50 30 FGEARN COc1cccc([C@@H](O)C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000163919296 705322059 /nfs/dbraw/zinc/32/20/59/705322059.db2.gz DHMGDXKSAUDNRM-HZPDHXFCSA-N 0 0 365.216 3.416 50 30 FGEARN CC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)c2ccccc2C1=O ZINC000001072282 219364410 /nfs/dbraw/zinc/36/44/10/219364410.db2.gz GJNBCPRMUMTMJD-UHFFFAOYSA-N 0 0 373.412 3.250 50 30 FGEARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C#N ZINC000005499782 219684149 /nfs/dbraw/zinc/68/41/49/219684149.db2.gz RPKAXZJTXZQCLG-UHFFFAOYSA-N 0 0 363.446 3.008 50 30 FGEARN C#C[C@@H](CC)Oc1ccc(COC(=O)[C@H](C)N(C)CC(F)(F)F)cc1 ZINC000225855318 209365369 /nfs/dbraw/zinc/36/53/69/209365369.db2.gz IZWWSESLZMMQDK-ZFWWWQNUSA-N 0 0 357.372 3.403 50 30 FGEARN COC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(SC)cc1 ZINC000044916550 209321417 /nfs/dbraw/zinc/32/14/17/209321417.db2.gz NURAZRDEPZRDDZ-QGZVFWFLSA-N 0 0 369.446 3.414 50 30 FGEARN O=C1C(=O)N(c2nncs2)[C@H](c2ccccc2)C1=C([O-])c1cccs1 ZINC000102797720 209242294 /nfs/dbraw/zinc/24/22/94/209242294.db2.gz GIPQQEWKPXFLPQ-MNWMYKRDSA-N 0 0 369.427 3.226 50 30 FGEARN CCOC(=O)C(C(=O)c1ccc(OC)cc1)=C(N)C(Cl)(Cl)Cl ZINC000100963407 209220965 /nfs/dbraw/zinc/22/09/65/209220965.db2.gz ZOSHXZLTFKLPFC-ZRDIBKRKSA-N 0 0 366.628 3.024 50 30 FGEARN COc1ccc2[nH]c(=NN=C3C(C)=NN(c4ccccc4)C3=O)sc2c1 ZINC000100398810 209213276 /nfs/dbraw/zinc/21/32/76/209213276.db2.gz FPVOTARLUFVLOW-CAPFRKAQSA-N 0 0 365.418 3.496 50 30 FGEARN C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000058155651 206682315 /nfs/dbraw/zinc/68/23/15/206682315.db2.gz KGATUEBUZSXFFH-OAHLLOKOSA-N 0 0 367.474 3.280 50 30 FGEARN C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1 ZINC000002340994 206742065 /nfs/dbraw/zinc/74/20/65/206742065.db2.gz FVSCJPQFXOXDQG-XMHGGMMESA-N 0 0 364.401 3.145 50 30 FGEARN COc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)c(OC)c1 ZINC000012662432 206802805 /nfs/dbraw/zinc/80/28/05/206802805.db2.gz 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O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1ccccc1 ZINC000017180675 494409545 /nfs/dbraw/zinc/40/95/45/494409545.db2.gz ANNGKUMZOWWGCW-GOSISDBHSA-N 0 0 357.369 3.260 50 30 FGEARN Cc1cccc(C[C@H]2S/C(=N\N=C/c3ccc(N(C)C)cc3)NC2=O)c1 ZINC000019790480 494459641 /nfs/dbraw/zinc/45/96/41/494459641.db2.gz CTYMNRVYFXAORD-LZAZYHHXSA-N 0 0 366.490 3.225 50 30 FGEARN COC(=O)c1ccc(/C=C2\Oc3c(c(C)cc([O-])c3C[NH+](C)C)C2=O)cc1 ZINC000020591638 494476959 /nfs/dbraw/zinc/47/69/59/494476959.db2.gz HKCLHPJFPNJQRK-YVLHZVERSA-N 0 0 367.401 3.165 50 30 FGEARN CN(Cc1ccccc1Br)S(=O)(=O)c1cccc(C#N)c1 ZINC000021224602 494491104 /nfs/dbraw/zinc/49/11/04/494491104.db2.gz XPAPLZLEPAXFIH-UHFFFAOYSA-N 0 0 365.252 3.141 50 30 FGEARN N#Cc1ccccc1NC(=O)CCN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000023186596 494555303 /nfs/dbraw/zinc/55/53/03/494555303.db2.gz BJEHVHOQRMQNQU-LJQANCHMSA-N 0 0 353.397 3.099 50 30 FGEARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1C#N ZINC000023642338 494574334 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C=CCN(CC=C)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717442 534829670 /nfs/dbraw/zinc/82/96/70/534829670.db2.gz CLPZIRUKDIWRDL-UHFFFAOYSA-N 0 0 353.466 3.259 50 30 FGEARN C[C@](C#N)(NC(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000055855405 525134931 /nfs/dbraw/zinc/13/49/31/525134931.db2.gz UDUUNULCAXVUDE-NHCUHLMSSA-N 0 0 351.425 3.313 50 30 FGEARN Cc1cc(OCC(=O)ONC(=N)c2ccccc2)ccc1Br ZINC000013133169 525367909 /nfs/dbraw/zinc/36/79/09/525367909.db2.gz OKVWIFHYZGADDU-UHFFFAOYSA-N 0 0 363.211 3.000 50 30 FGEARN C[C@@H](Oc1ccccc1)C(=O)ONC(=N)c1cccc(Br)c1 ZINC000004808424 525952926 /nfs/dbraw/zinc/95/29/26/525952926.db2.gz XRYNUPVLRLXQLY-LLVKDONJSA-N 0 0 363.211 3.080 50 30 FGEARN N#CN=C(Nc1cccc(F)c1)SCC(=O)NCCc1ccccc1 ZINC000006229219 526428145 /nfs/dbraw/zinc/42/81/45/526428145.db2.gz LZTZBULRMDTMGM-UHFFFAOYSA-N 0 0 356.426 3.167 50 30 FGEARN N#C[C@H](c1ccccc1)N1CCN(C(=O)/C=C\c2nc3ccccc3o2)CC1 ZINC000096925337 526510926 /nfs/dbraw/zinc/51/09/26/526510926.db2.gz 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C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC ZINC000097996156 222219270 /nfs/dbraw/zinc/21/92/70/222219270.db2.gz VEOYZEOZMOGPGL-UHFFFAOYSA-N 0 0 350.488 3.062 50 30 FGEARN NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000101007863 222259065 /nfs/dbraw/zinc/25/90/65/222259065.db2.gz SLTNMHJTMFMDRE-YBFXNURJSA-N 0 0 371.374 3.253 50 30 FGEARN N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000003449330 263329456 /nfs/dbraw/zinc/32/94/56/263329456.db2.gz RFYHZARVLSFIMU-UHFFFAOYSA-N 0 0 371.374 3.006 50 30 FGEARN NC(=NC(=O)COc1ccc2ccccc2c1)Nc1nc2ccccc2o1 ZINC000004592220 263334294 /nfs/dbraw/zinc/33/42/94/263334294.db2.gz LABUUDDKZNVFTC-UHFFFAOYSA-N 0 0 360.373 3.313 50 30 FGEARN CN(C)c1nc(N=NCc2ccccc2F)nc(Nc2ccc(F)cc2)n1 ZINC000004610936 263334920 /nfs/dbraw/zinc/33/49/20/263334920.db2.gz WPKKQVMCWHILDL-SRZZPIQSSA-N 0 0 369.379 3.405 50 30 FGEARN COc1ccc2c(c1)CC/C2=N/OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000005060587 263338730 /nfs/dbraw/zinc/33/87/30/263338730.db2.gz 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C=CCn1cnnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000006589297 493969574 /nfs/dbraw/zinc/96/95/74/493969574.db2.gz AMHASZOBCKPYTA-ZDUSSCGKSA-N 0 0 360.508 3.474 50 30 FGEARN CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1C ZINC000007149840 494004677 /nfs/dbraw/zinc/00/46/77/494004677.db2.gz YXMQWCYYYVWMGC-UHFFFAOYSA-N 0 0 373.409 3.308 50 30 FGEARN CCOC(=O)CC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000007425226 494021948 /nfs/dbraw/zinc/02/19/48/494021948.db2.gz BYKNCYQEFQYJDG-UHFFFAOYSA-N 0 0 367.430 3.282 50 30 FGEARN CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)N(C)c2ccccc2)n1 ZINC000032899296 494025589 /nfs/dbraw/zinc/02/55/89/494025589.db2.gz GJKJQGYNOJHJDE-CYBMUJFWSA-N 0 0 369.446 3.274 50 30 FGEARN CCCNc1nnc(SCC(=O)[C@@H](C#N)c2nc(C)cs2)s1 ZINC000007792287 494042582 /nfs/dbraw/zinc/04/25/82/494042582.db2.gz ICOBEJNHHQVBMQ-SECBINFHSA-N 0 0 353.498 3.094 50 30 FGEARN COc1ccc(Cl)cc1N1CC(=O)C(c2nc3cc(C)ccc3[nH]2)=C1N ZINC000007995053 494058600 /nfs/dbraw/zinc/05/86/00/494058600.db2.gz 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C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCc3ccccc3C1)CC2 ZINC000091625796 210074348 /nfs/dbraw/zinc/07/43/48/210074348.db2.gz CHUNRKBOHADBCM-HXUWFJFHSA-N 0 0 366.505 3.209 50 30 FGEARN C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000058155648 210073807 /nfs/dbraw/zinc/07/38/07/210073807.db2.gz KGATUEBUZSXFFH-HNNXBMFYSA-N 0 0 367.474 3.280 50 30 FGEARN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000040039017 210043271 /nfs/dbraw/zinc/04/32/71/210043271.db2.gz HNMZGCLBGOEHSD-IBGZPJMESA-N 0 0 370.474 3.128 50 30 FGEARN C=CCSc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1 ZINC000002627720 219451975 /nfs/dbraw/zinc/45/19/75/219451975.db2.gz QFWRKZKAZVRJTJ-UHFFFAOYSA-N 0 0 351.453 3.015 50 30 FGEARN C=CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C ZINC000002693436 219458031 /nfs/dbraw/zinc/45/80/31/219458031.db2.gz FCXMSMCXMCXCFN-UHFFFAOYSA-N 0 0 366.826 3.465 50 30 FGEARN C#CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000004364244 219570509 /nfs/dbraw/zinc/57/05/09/219570509.db2.gz 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N#Cc1cccc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)n1 ZINC000091747001 132203656 /nfs/dbraw/zinc/20/36/56/132203656.db2.gz JAWNCBJRVVTKMU-UHFFFAOYSA-N 0 0 374.488 3.405 50 30 FGEARN CCOc1ccc(NC(=O)N2CCN(c3cccc(O)c3)CC2)cc1C#N ZINC000299786016 132299971 /nfs/dbraw/zinc/29/99/71/132299971.db2.gz VKUFOXQKJFXBAZ-UHFFFAOYSA-N 0 0 366.421 3.017 50 30 FGEARN Cc1ccccc1N1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)[C@H](C)C1 ZINC000065374990 132305665 /nfs/dbraw/zinc/30/56/65/132305665.db2.gz GVKSAMDLCDZNHV-QGZVFWFLSA-N 0 0 366.461 3.061 50 30 FGEARN C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)n1)c1ccncc1 ZINC000004323063 132386785 /nfs/dbraw/zinc/38/67/85/132386785.db2.gz HVUNAMTXYIVGSG-CJLVFECKSA-N 0 0 365.485 3.298 50 30 FGEARN Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c(C#N)c1C ZINC000058171550 136130645 /nfs/dbraw/zinc/13/06/45/136130645.db2.gz NVBSOKQLAPXRKQ-MRXNPFEDSA-N 0 0 373.254 3.306 50 30 FGEARN N#Cc1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(F)c1 ZINC000058406459 136131765 /nfs/dbraw/zinc/13/17/65/136131765.db2.gz 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C=CCn1ccc2c(OCC(=O)Nc3ccccc3F)cccc2c1=O ZINC000004584262 263334404 /nfs/dbraw/zinc/33/44/04/263334404.db2.gz MBKTWLIOPGUHPF-UHFFFAOYSA-N 0 0 352.365 3.344 50 30 FGEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000005079665 263338662 /nfs/dbraw/zinc/33/86/62/263338662.db2.gz LCKCMUIQQBPDGG-DHZHZOJOSA-N 0 0 368.433 3.150 50 30 FGEARN COc1ccc(NC(=O)COc2ccccc2C(=O)OCC#N)cc1Cl ZINC000005362577 263340355 /nfs/dbraw/zinc/34/03/55/263340355.db2.gz KERNKPLGKPOXAN-UHFFFAOYSA-N 0 0 374.780 3.046 50 30 FGEARN C=C(C)CN(CC)C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 ZINC000012430805 263370979 /nfs/dbraw/zinc/37/09/79/263370979.db2.gz QITJZDQMERJIBI-UHFFFAOYSA-N 0 0 357.454 3.221 50 30 FGEARN C=C(C)COc1cccc(C(=O)NCC2CCN(C(=O)C3CC3)CC2)c1 ZINC000055255882 263411340 /nfs/dbraw/zinc/41/13/40/263411340.db2.gz HSXUPYIYGXQGHW-UHFFFAOYSA-N 0 0 356.466 3.020 50 30 FGEARN C=CCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000002817107 493821199 /nfs/dbraw/zinc/82/11/99/493821199.db2.gz BZRMRMDEAQEQQY-UHFFFAOYSA-N 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COc1ccc(CNC(=O)[C@@H](C)Sc2nc(C)cc(C)c2C#N)cc1 ZINC000005642545 493938335 /nfs/dbraw/zinc/93/83/35/493938335.db2.gz YOKRYFCRLQBLDR-CQSZACIVSA-N 0 0 355.463 3.376 50 30 FGEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SC)nc3NC3=C2C(=O)CCC3)cc1 ZINC000006009070 493949019 /nfs/dbraw/zinc/94/90/19/493949019.db2.gz AZEJTMSHZYNLRR-AWEZNQCLSA-N 0 0 369.446 3.065 50 30 FGEARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCCC#N)n2CC ZINC000006082716 493950662 /nfs/dbraw/zinc/95/06/62/493950662.db2.gz OIVXQXNQYXIESX-UHFFFAOYSA-N 0 0 366.512 3.092 50 30 FGEARN CCOC(=O)Oc1ccccc1/C=C1\CN(Cc2ccccc2)C(=O)C1=O ZINC000006594968 493968908 /nfs/dbraw/zinc/96/89/08/493968908.db2.gz PGURXVQCHXGHHY-SFQUDFHCSA-N 0 0 365.385 3.217 50 30 FGEARN CCOc1cc([C@@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)ccc1O ZINC000006677825 493973915 /nfs/dbraw/zinc/97/39/15/493973915.db2.gz FBZFROAFASYWAC-MRXNPFEDSA-N 0 0 372.450 3.126 50 30 FGEARN COc1ccc(CSCC(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000032815766 494019078 /nfs/dbraw/zinc/01/90/78/494019078.db2.gz 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CC(C)Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1CCCC2 ZINC000020573645 494477290 /nfs/dbraw/zinc/47/72/90/494477290.db2.gz JGDYAKNLTKGMTO-UHFFFAOYSA-N 0 0 368.525 3.335 50 30 FGEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000021597983 494500208 /nfs/dbraw/zinc/50/02/08/494500208.db2.gz SDFKFGBVOALHAI-UHFFFAOYSA-N 0 0 360.417 3.415 50 30 FGEARN N#CCCCOc1cccc(NC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000047734890 494766709 /nfs/dbraw/zinc/76/67/09/494766709.db2.gz DHNYTCPYKLFAOB-UHFFFAOYSA-N 0 0 353.378 3.420 50 30 FGEARN CCc1nc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cs1 ZINC000027107202 494852895 /nfs/dbraw/zinc/85/28/95/494852895.db2.gz YZDCMZYLEIMQKK-UHFFFAOYSA-N 0 0 369.450 3.147 50 30 FGEARN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127340007 494930714 /nfs/dbraw/zinc/93/07/14/494930714.db2.gz DLBVXBDAQBQNJH-RBUKOAKNSA-N 0 0 355.388 3.320 50 30 FGEARN CC(C)(C)OC(=O)N1CCC(Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000095495789 494980433 /nfs/dbraw/zinc/98/04/33/494980433.db2.gz 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ZINC000254304602 497348268 /nfs/dbraw/zinc/34/82/68/497348268.db2.gz VXAUFYLLSAUZRZ-FQEVSTJZSA-N 0 0 352.438 3.457 50 30 FGEARN COc1ccccc1NC(=S)NN=Cc1c[nH]nc1-c1ccc(C)o1 ZINC000254293296 497348315 /nfs/dbraw/zinc/34/83/15/497348315.db2.gz TZZVGMZABJRCAB-UHFFFAOYSA-N 0 0 355.423 3.307 50 30 FGEARN Cc1cc(C)n(-c2nncn2N=Cc2ccc(N3CCCCC3)s2)n1 ZINC000254430004 497349074 /nfs/dbraw/zinc/34/90/74/497349074.db2.gz MKZGAQFNZDLUOY-UHFFFAOYSA-N 0 0 355.471 3.015 50 30 FGEARN COc1ccc(Br)cc1C=N/N=C1\C(=O)Nc2ccccc21 ZINC000254566695 497349768 /nfs/dbraw/zinc/34/97/68/497349768.db2.gz KSSSNBLTTBRENS-UHFFFAOYSA-N 0 0 358.195 3.233 50 30 FGEARN CC(=NOCC(=O)NC1(c2ccccc2)CCC1)c1ccc2c(c1)OCO2 ZINC000254625936 497349939 /nfs/dbraw/zinc/34/99/39/497349939.db2.gz FXQKJJRMAQGSDD-UHFFFAOYSA-N 0 0 366.417 3.352 50 30 FGEARN COc1cc(C=NOCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1OC(F)F ZINC000254844187 497351332 /nfs/dbraw/zinc/35/13/32/497351332.db2.gz BINLHKHPIOQVJP-STQMWFEESA-N 0 0 370.396 3.437 50 30 FGEARN CC1CCC(Oc2cc(CNC(=O)c3cc4n(n3)CCO4)ccn2)CC1 ZINC000329571407 497832625 /nfs/dbraw/zinc/83/26/25/497832625.db2.gz MQSOITYZPQURSL-UHFFFAOYSA-N 0 0 356.426 3.133 50 30 FGEARN C#C[C@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(C)C ZINC000328589936 498868538 /nfs/dbraw/zinc/86/85/38/498868538.db2.gz UXUZPYLMWUSSJK-ZDUSSCGKSA-N 0 0 353.205 3.204 50 30 FGEARN O=C(NCCCc1nc2cccnc2[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000328590133 498868716 /nfs/dbraw/zinc/86/87/16/498868716.db2.gz LSKYNPTWSSVDJB-UHFFFAOYSA-N 0 0 364.365 3.285 50 30 FGEARN C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3ncccc3C#N)cc2)C[C@H]1C ZINC000426487295 500278316 /nfs/dbraw/zinc/27/83/16/500278316.db2.gz GTTPANZQBKTGJH-IAGOWNOFSA-N 0 0 360.461 3.341 50 30 FGEARN Cc1ncc(S(=O)(=O)N2CCCC[C@H]2Cc2ccccc2)cc1C#N ZINC000589890291 506673515 /nfs/dbraw/zinc/67/35/15/506673515.db2.gz PNBWTWDAWSIEKS-SFHVURJKSA-N 0 0 355.463 3.048 50 30 FGEARN N#Cc1cnn(-c2ccccc2NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1N ZINC000597636473 507041378 /nfs/dbraw/zinc/04/13/78/507041378.db2.gz IEPMQIGGUWUDRV-YJBOKZPZSA-N 0 0 371.391 3.480 50 30 FGEARN C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(C)[nH][nH]c2=O)cc1OC ZINC000085879550 518615791 /nfs/dbraw/zinc/61/57/91/518615791.db2.gz KQLZJCRRYFCBSE-AWEZNQCLSA-N 0 0 360.410 3.082 50 30 FGEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000001071373 534367852 /nfs/dbraw/zinc/36/78/52/534367852.db2.gz JURKGGZWCSPDHK-UHFFFAOYSA-N 0 0 365.481 3.277 50 30 FGEARN C=CCN(CCc1ccccc1)C(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000058289594 518775072 /nfs/dbraw/zinc/77/50/72/518775072.db2.gz HTDVWKUEXOUFPQ-UHFFFAOYSA-N 0 0 357.498 3.074 50 30 FGEARN C=CCN(Cc1cccs1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000057672305 518789517 /nfs/dbraw/zinc/78/95/17/518789517.db2.gz SQRQGQUYVUIMMS-UHFFFAOYSA-N 0 0 369.406 3.065 50 30 FGEARN C=CCSc1nnc(NC(=O)COc2ccc(C)cc2OC)s1 ZINC000008745083 519087225 /nfs/dbraw/zinc/08/72/25/519087225.db2.gz FNZSFBABTJGHQM-UHFFFAOYSA-N 0 0 351.453 3.151 50 30 FGEARN CC(C)C(N)=NO[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000128402912 519383593 /nfs/dbraw/zinc/38/35/93/519383593.db2.gz QFTKQDMLVLFMOZ-AWEZNQCLSA-N 0 0 357.376 3.141 50 30 FGEARN CCCCCCCNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000098045236 520053992 /nfs/dbraw/zinc/05/39/92/520053992.db2.gz RIXDITLAUOYTHC-UHFFFAOYSA-N 0 0 359.514 3.202 50 30 FGEARN CC1=CC(=O)[C@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)C3=CC[C@H]2S1(=O)=O ZINC000239309242 520853009 /nfs/dbraw/zinc/85/30/09/520853009.db2.gz HIZIVFAFGQVLQJ-ZOXOGZHVSA-N 0 0 362.491 3.378 50 30 FGEARN CCN=C(Nc1cccc(F)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000005825739 521508468 /nfs/dbraw/zinc/50/84/68/521508468.db2.gz HQDJERXNWMJINZ-MRXNPFEDSA-N 0 0 371.437 3.488 50 30 FGEARN CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000017074410 522040195 /nfs/dbraw/zinc/04/01/95/522040195.db2.gz RSCLNMUBDWOBCI-HTMJNSLASA-N 0 0 361.423 3.421 50 30 FGEARN CNc1nc(N=NCc2ccc([N+](=O)[O-])cc2)nc(Nc2ccccc2)n1 ZINC000004180862 522685649 /nfs/dbraw/zinc/68/56/49/522685649.db2.gz QDGRMFUCMYJCNP-YBFXNURJSA-N 0 0 364.369 3.011 50 30 FGEARN COc1ccc(C2N=NC(=S)N2N=Cc2cccc(OC)c2OC)cc1 ZINC000239038991 523256987 /nfs/dbraw/zinc/25/69/87/523256987.db2.gz FGJZHGMTSRAKPP-UHFFFAOYSA-N 0 0 370.434 3.142 50 30 FGEARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(OC)ccc1O ZINC000003122953 523592110 /nfs/dbraw/zinc/59/21/10/523592110.db2.gz BMYDPYFIJBSWEN-FNLSEGDXSA-N 0 0 352.390 3.085 50 30 FGEARN Cc1cccc(/N=C2\NN=C(c3c[nH]c(C(=O)N4CCCC4)c3)CS2)c1 ZINC000012515726 524155210 /nfs/dbraw/zinc/15/52/10/524155210.db2.gz HULABYFYOIQFCO-UHFFFAOYSA-N 0 0 367.478 3.287 50 30 FGEARN COc1ccc(N2CCCC2=O)c(NC(=O)c2ccc(N=[N+]=[N-])nc2)c1 ZINC000108517324 524403966 /nfs/dbraw/zinc/40/39/66/524403966.db2.gz BCEJMPNLDCVIBM-UHFFFAOYSA-N 0 0 352.354 3.411 50 30 FGEARN CSCCc1nc(C2(C#N)CCOCC2)n(-c2cc(C)ccc2C)n1 ZINC000096136240 525603423 /nfs/dbraw/zinc/60/34/23/525603423.db2.gz HRTQZIRSCIWMJC-UHFFFAOYSA-N 0 0 356.495 3.361 50 30 FGEARN COc1nccc(N2CCC[C@](CO)(CCOc3ccccc3)C2)c1C#N ZINC000071751390 537146177 /nfs/dbraw/zinc/14/61/77/537146177.db2.gz AMBMIUOWHMYBOD-NRFANRHFSA-N 0 0 367.449 3.010 50 30 FGEARN C=CCn1c2ccc(NC(=O)Nc3ccc(OC)cc3OC)cc2oc1=O ZINC000046010622 570918679 /nfs/dbraw/zinc/91/86/79/570918679.db2.gz GQDFCZRXWHQLNT-UHFFFAOYSA-N 0 0 369.377 3.442 50 30 FGEARN CCOc1ccccc1NC(=NC(=O)c1ccccc1)NC[C@H]1CCCO1 ZINC000046129126 570927635 /nfs/dbraw/zinc/92/76/35/570927635.db2.gz JRSAGBZGSMQHMP-QGZVFWFLSA-N 0 0 367.449 3.462 50 30 FGEARN COc1cccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)c1 ZINC000046129588 570928159 /nfs/dbraw/zinc/92/81/59/570928159.db2.gz ZISYNWPYBKBNSN-IBGZPJMESA-N 0 0 367.449 3.381 50 30 FGEARN CN(C(=O)OC(C)(C)C)[C@@H](CNc1nccnc1C#N)Cc1ccccc1 ZINC000685939899 571099110 /nfs/dbraw/zinc/09/91/10/571099110.db2.gz JWZGMHKYEBIXQR-MRXNPFEDSA-N 0 0 367.453 3.238 50 30 FGEARN CCN1C[C@H](CN(C)C(=S)Nc2ccccc2C#N)Oc2ccccc21 ZINC000084779968 571099761 /nfs/dbraw/zinc/09/97/61/571099761.db2.gz QEGFPXKLBGYKHL-INIZCTEOSA-N 0 0 366.490 3.474 50 30 FGEARN C=C(Cl)CSc1nnc([C@@H](Cc2ccccc2)NC(=O)CC)n1C ZINC000012244574 695605145 /nfs/dbraw/zinc/60/51/45/695605145.db2.gz HSNKWAZHMHVOST-CQSZACIVSA-N 0 0 364.902 3.470 50 30 FGEARN C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000022339121 695652263 /nfs/dbraw/zinc/65/22/63/695652263.db2.gz PGQGGNDQUQDCRM-ZJUUUORDSA-N 0 0 352.645 3.300 50 30 FGEARN COc1ccccc1NC(=S)NN=Cc1ccc(-n2ccnc2)cc1 ZINC000254486641 713675969 /nfs/dbraw/zinc/67/59/69/713675969.db2.gz DFKNGCRWZKQQFK-UHFFFAOYSA-N 0 0 351.435 3.201 50 30 FGEARN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@@H]1CCCN1c1ccccc1 ZINC000330158491 713834273 /nfs/dbraw/zinc/83/42/73/713834273.db2.gz ZUADHAAJIGNGLE-IRXDYDNUSA-N 0 0 356.447 3.141 50 30 FGEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2nccs2)n1 ZINC000000658681 210257497 /nfs/dbraw/zinc/25/74/97/210257497.db2.gz ZRRDHJAXIREXJC-UHFFFAOYSA-N 0 0 358.370 3.468 50 30 FGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000000632596 210253036 /nfs/dbraw/zinc/25/30/36/210253036.db2.gz PRBGBZGUEIDCPH-INIZCTEOSA-N 0 0 371.433 3.186 50 30 FGEARN COc1cc(Br)c(/C=C2/Oc3cc(O)ccc3C2=O)cc1O ZINC000096920997 210241751 /nfs/dbraw/zinc/24/17/51/210241751.db2.gz MZGIYDNDVVDMMC-PJQLUOCWSA-N 0 0 363.163 3.485 50 30 FGEARN C=CCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)N(C)C ZINC000035767174 210169812 /nfs/dbraw/zinc/16/98/12/210169812.db2.gz LTUZVISAYTZXCK-UHFFFAOYSA-N 0 0 373.428 3.117 50 30 FGEARN C=CCn1c(Cc2csc(NC(=O)c3ccc(C)nc3)n2)n[nH]c1=S ZINC000024831443 210161067 /nfs/dbraw/zinc/16/10/67/210161067.db2.gz YBWNMUDDRNQESM-UHFFFAOYSA-N 0 0 372.479 3.130 50 30 FGEARN C=CCn1c(SCC)nc2ccc(I)cc2c1=O ZINC000002339540 210151468 /nfs/dbraw/zinc/15/14/68/210151468.db2.gz YRCLNJZQFCKFAK-UHFFFAOYSA-N 0 0 372.231 3.299 50 30 FGEARN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2C1=O ZINC000014597986 210145100 /nfs/dbraw/zinc/14/51/00/210145100.db2.gz UGGOTGSNXMNXEJ-KSSFIOAISA-N 0 0 352.434 3.263 50 30 FGEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1COc2ccccc2O1 ZINC000012536817 210139139 /nfs/dbraw/zinc/13/91/39/210139139.db2.gz UJUJBSBMQQKIAD-OAQYLSRUSA-N 0 0 356.381 3.260 50 30 FGEARN C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(C)cc1C ZINC000009249765 210137215 /nfs/dbraw/zinc/13/72/15/210137215.db2.gz LDBNETGVPBGAOK-CQSZACIVSA-N 0 0 355.463 3.149 50 30 FGEARN C=CCN(c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1)S(C)(=O)=O ZINC000010449873 210136969 /nfs/dbraw/zinc/13/69/69/210136969.db2.gz MVNOLPDMSFWIOD-HNNXBMFYSA-N 0 0 370.474 3.230 50 30 FGEARN C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000006855960 210107322 /nfs/dbraw/zinc/10/73/22/210107322.db2.gz DPIFVKRPBWTVAU-UHFFFAOYSA-N 0 0 350.827 3.057 50 30 FGEARN C=CCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245611 210101959 /nfs/dbraw/zinc/10/19/59/210101959.db2.gz MPKVIVRIWOGTIN-UHFFFAOYSA-N 0 0 370.883 3.142 50 30 FGEARN C#CCN(Cc1ccccc1)C(=O)CCc1nc(-c2ccccc2F)no1 ZINC000065526556 210099555 /nfs/dbraw/zinc/09/95/55/210099555.db2.gz PRHLKXYSWOJWIC-UHFFFAOYSA-N 0 0 363.392 3.470 50 30 FGEARN C=CCN(CCc1ccccc1)C(=O)Nc1cc(Br)n(C)n1 ZINC000095460756 210086325 /nfs/dbraw/zinc/08/63/25/210086325.db2.gz MHTPPNFUSPPLAP-UHFFFAOYSA-N 0 0 363.259 3.445 50 30 FGEARN CN1CCN(/N=C/c2nc(-c3ccccc3Cl)n3ccccc23)CC1 ZINC000000956903 219347481 /nfs/dbraw/zinc/34/74/81/219347481.db2.gz YSNHODWZYKZGHE-KGENOOAVSA-N 0 0 353.857 3.236 50 30 FGEARN O=C1C=CC(=NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)C=C1 ZINC000003283055 219497371 /nfs/dbraw/zinc/49/73/71/219497371.db2.gz KAUIXAWWPZLMII-UHFFFAOYSA-N 0 0 350.610 3.472 50 30 FGEARN N#Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000012886682 220039416 /nfs/dbraw/zinc/03/94/16/220039416.db2.gz KUYFXCDULWEEHX-UHFFFAOYSA-N 0 0 357.816 3.309 50 30 FGEARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3sccc3C#N)C2)cc1 ZINC000024844637 211416498 /nfs/dbraw/zinc/41/64/98/211416498.db2.gz JTMQRHFYBFYNSF-INIZCTEOSA-N 0 0 353.447 3.419 50 30 FGEARN N#Cc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1 ZINC000023731428 211395807 /nfs/dbraw/zinc/39/58/07/211395807.db2.gz RCDFCWHGTGGTKU-UHFFFAOYSA-N 0 0 351.475 3.066 50 30 FGEARN CS(=O)(=O)N(Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000023616989 211390900 /nfs/dbraw/zinc/39/09/00/211390900.db2.gz XXUQZMSWEAIVIW-UHFFFAOYSA-N 0 0 365.252 3.287 50 30 FGEARN Cc1ccc(-c2noc(CN3CCN(Cc4cccc(C#N)c4)CC3)n2)cc1 ZINC000022842053 211366545 /nfs/dbraw/zinc/36/65/45/211366545.db2.gz ZVARSDBCRZJLGM-UHFFFAOYSA-N 0 0 373.460 3.235 50 30 FGEARN C[C@@H]1CCCN(C(=O)c2ccc(NN=C3c4ccccc4NC3=O)cc2)C1 ZINC000022352294 211348883 /nfs/dbraw/zinc/34/88/83/211348883.db2.gz VBQOHMLYEYBUJB-CQSZACIVSA-N 0 0 362.433 3.327 50 30 FGEARN CCCCN1C(=O)[C@@](NC(=O)CC)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000020069688 211266771 /nfs/dbraw/zinc/26/67/71/211266771.db2.gz YKEXBTMPSQXZQP-QGZVFWFLSA-N 0 0 374.403 3.099 50 30 FGEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 ZINC000019639598 211243647 /nfs/dbraw/zinc/24/36/47/211243647.db2.gz WNXWQMZMCZXXRQ-LJQANCHMSA-N 0 0 352.434 3.415 50 30 FGEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccnc3)C2)cc1 ZINC000018240727 211196197 /nfs/dbraw/zinc/19/61/97/211196197.db2.gz YXDRGWOHEHDGDY-OXJNMPFZSA-N 0 0 357.417 3.397 50 30 FGEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccc(O)cc3)C12 ZINC000018197398 211194295 /nfs/dbraw/zinc/19/42/95/211194295.db2.gz SFHISNZNWYEXLH-SGTLLEGYSA-N 0 0 364.430 3.461 50 30 FGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000018195596 211193855 /nfs/dbraw/zinc/19/38/55/211193855.db2.gz MKAXAEUNVKJYFT-ZDUSSCGKSA-N 0 0 354.366 3.224 50 30 FGEARN CCOC(=O)N1CCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)CC1 ZINC000016741589 211168263 /nfs/dbraw/zinc/16/82/63/211168263.db2.gz AHZOQOGYTVCRDU-UHFFFAOYSA-N 0 0 360.801 3.145 50 30 FGEARN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000014199055 211085447 /nfs/dbraw/zinc/08/54/47/211085447.db2.gz MPQWVXHIWIHTNE-SFHVURJKSA-N 0 0 359.351 3.127 50 30 FGEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCOCC3)C2=O)cc1Cl ZINC000013712514 211051827 /nfs/dbraw/zinc/05/18/27/211051827.db2.gz YPUCXGMKFTYSSD-QOCHGBHMSA-N 0 0 369.852 3.406 50 30 FGEARN Cc1ccc(NC(=S)NC2CCCCC2)cc1S(=O)(=O)N(C)C ZINC000013683010 211048043 /nfs/dbraw/zinc/04/80/43/211048043.db2.gz PPYHEDHGZOLTTA-UHFFFAOYSA-N 0 0 355.529 3.276 50 30 FGEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000012901948 211005891 /nfs/dbraw/zinc/00/58/91/211005891.db2.gz PICHFGBUUBLUPV-CYBMUJFWSA-N 0 0 364.401 3.126 50 30 FGEARN COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)c1 ZINC000007890332 210759572 /nfs/dbraw/zinc/75/95/72/210759572.db2.gz TZBDOMSNRNVEAV-LJQANCHMSA-N 0 0 366.417 3.318 50 30 FGEARN COC(=O)c1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1C(=O)CCCC1=N2 ZINC000006817678 210706050 /nfs/dbraw/zinc/70/60/50/210706050.db2.gz SAEYZQXEUUDAEA-QGZVFWFLSA-N 0 0 366.421 3.210 50 30 FGEARN N#Cc1c2c(sc1NC(=O)CSc1nnc3n1CCCCC3)CCC2 ZINC000006097415 210655810 /nfs/dbraw/zinc/65/58/10/210655810.db2.gz BKXKNVDVEKXXBA-UHFFFAOYSA-N 0 0 373.507 3.157 50 30 FGEARN 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C=CCC(O)(CC=C)CNC(=O)[C@@H]1CC(Cc2ccccc2Cl)=NO1 ZINC000011973918 263368841 /nfs/dbraw/zinc/36/88/41/263368841.db2.gz TUDJWYMCSOURNM-KRWDZBQOSA-N 0 0 362.857 3.027 50 30 FGEARN O=C(/C(=C/c1cc([N+](=O)[O-])ccc1[O-])n1cncn1)c1ccc(Cl)cc1 ZINC000020446895 263380880 /nfs/dbraw/zinc/38/08/80/263380880.db2.gz SRZVHGVTAAZRFJ-NVNXTCNLSA-N 0 0 370.752 3.426 50 30 FGEARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCCCC#N)cc1 ZINC000021838329 263385408 /nfs/dbraw/zinc/38/54/08/263385408.db2.gz MNRDIRYXTLGSLW-HOTGVXAUSA-N 0 0 358.438 3.315 50 30 FGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000000626903 493765693 /nfs/dbraw/zinc/76/56/93/493765693.db2.gz KXQCZCCHTKEKQJ-OAHLLOKOSA-N 0 0 359.397 3.316 50 30 FGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1Cl ZINC000000625982 493765964 /nfs/dbraw/zinc/76/59/64/493765964.db2.gz YZNSMLMTNLXMAW-OAHLLOKOSA-N 0 0 365.788 3.333 50 30 FGEARN COc1ccc(N2C[C@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2=O)cc1 ZINC000028262986 493782922 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C=CCOc1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002987232 493827715 /nfs/dbraw/zinc/82/77/15/493827715.db2.gz BVQPDLMOGQIIMQ-LDADJPATSA-N 0 0 350.827 3.217 50 30 FGEARN C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000058192986 493832421 /nfs/dbraw/zinc/83/24/21/493832421.db2.gz WSWXSRBTPOQHLT-UHFFFAOYSA-N 0 0 364.420 3.224 50 30 FGEARN CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)NC[C@@H]1CCCO1 ZINC000003178990 493832467 /nfs/dbraw/zinc/83/24/67/493832467.db2.gz NIEBMPFPTGZEDD-NSHDSACASA-N 0 0 360.241 3.051 50 30 FGEARN C=CCN(Cc1ccccc1F)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000058201226 493833094 /nfs/dbraw/zinc/83/30/94/493833094.db2.gz LEEFEYLGDVTPIL-UHFFFAOYSA-N 0 0 366.392 3.308 50 30 FGEARN COc1ccc(-n2cnnc2SCCOc2ccc(C#N)cc2)cc1 ZINC000003362130 493841177 /nfs/dbraw/zinc/84/11/77/493841177.db2.gz GYOQTENRZAVHGQ-UHFFFAOYSA-N 0 0 352.419 3.319 50 30 FGEARN C=CCNC(=O)CSc1nnc([C@H](CC)N(C)C)n1C1CCCCC1 ZINC000003447932 493846460 /nfs/dbraw/zinc/84/64/60/493846460.db2.gz PACZNSRERWVTMU-HNNXBMFYSA-N 0 0 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/nfs/dbraw/zinc/78/58/43/493785843.db2.gz FOZKIEUDWMGSCD-UHFFFAOYSA-N 0 0 351.435 3.257 50 30 FGEARN Cc1ccc(NC(=O)C(C=[N+](C)[O-])C(=O)Nc2ccc(C)cc2C)c(C)c1 ZINC000001400428 493793733 /nfs/dbraw/zinc/79/37/33/493793733.db2.gz UYMVOCKYSUIGLX-MSXFZWOLSA-N 0 0 367.449 3.325 50 30 FGEARN O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccc(Cl)cc1 ZINC000001393066 493793782 /nfs/dbraw/zinc/79/37/82/493793782.db2.gz YVCIRWXAYDOZNO-FOWTUZBSSA-N 0 0 355.824 3.140 50 30 FGEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(F)cc1 ZINC000002463626 493808796 /nfs/dbraw/zinc/80/87/96/493808796.db2.gz LBGMOYSSTRWFTA-XHDPSFHLSA-N 0 0 360.410 3.204 50 30 FGEARN C=CCSCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000058175199 493830539 /nfs/dbraw/zinc/83/05/39/493830539.db2.gz FYRYOSDVKUIWMR-UHFFFAOYSA-N 0 0 364.474 3.470 50 30 FGEARN COc1ccccc1N(CCC#N)C(=O)c1cncc(Br)c1 ZINC000003231133 493833281 /nfs/dbraw/zinc/83/32/81/493833281.db2.gz HNTHWRGWYDLOED-UHFFFAOYSA-N 0 0 360.211 3.413 50 30 FGEARN CC1(C)OC(=O)C(Cc2ccc(C#N)cc2)(Cc2ccc(C#N)cc2)C(=O)O1 ZINC000003327312 493839272 /nfs/dbraw/zinc/83/92/72/493839272.db2.gz JOBWEAPLXBZPPN-UHFFFAOYSA-N 0 0 374.396 3.038 50 30 FGEARN COc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000003585607 493854278 /nfs/dbraw/zinc/85/42/78/493854278.db2.gz BFVJSFFXRPWVQO-UHFFFAOYSA-N 0 0 373.840 3.299 50 30 FGEARN COC(=O)c1sccc1N=NCc1ccc(OC)c(OC)c1OC ZINC000003909610 493859805 /nfs/dbraw/zinc/85/98/05/493859805.db2.gz HLZCVWKSAAAGTN-RQZCQDPDSA-N 0 0 350.396 3.007 50 30 FGEARN C=CCn1c(CCN2C(=O)c3cccc4cccc(c43)C2=O)n[nH]c1=S ZINC000004174200 493868627 /nfs/dbraw/zinc/86/86/27/493868627.db2.gz VBURIFZIMZNHEG-UHFFFAOYSA-N 0 0 364.430 3.119 50 30 FGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004719724 493888976 /nfs/dbraw/zinc/88/89/76/493888976.db2.gz GDFOBDKBCSQSJE-QGZVFWFLSA-N 0 0 356.378 3.126 50 30 FGEARN C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000004785169 493893181 /nfs/dbraw/zinc/89/31/81/493893181.db2.gz LWRRLEZJBNZKRC-NSHDSACASA-N 0 0 369.240 3.028 50 30 FGEARN N=C(NOC(=O)c1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000004978746 493904872 /nfs/dbraw/zinc/90/48/72/493904872.db2.gz ZCKIRYYPWFCYST-UHFFFAOYSA-N 0 0 354.149 3.379 50 30 FGEARN COc1cc2nc(C)n(/N=C/c3ccccc3Cl)c(=O)c2cc1OC ZINC000005047426 493910923 /nfs/dbraw/zinc/91/09/23/493910923.db2.gz QXPBQDWJDRMMRZ-KEBDBYFISA-N 0 0 357.797 3.258 50 30 FGEARN O=C(C=CN[C@@H](O)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000005119551 493914590 /nfs/dbraw/zinc/91/45/90/493914590.db2.gz MPIMPHHZGWMNHN-PORFMDCZSA-N 0 0 373.461 3.424 50 30 FGEARN C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccccc2OC)s1 ZINC000005783963 493942323 /nfs/dbraw/zinc/94/23/23/493942323.db2.gz JGPASMDNGJDXLY-SNVBAGLBSA-N 0 0 350.469 3.264 50 30 FGEARN Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000005986967 493947972 /nfs/dbraw/zinc/94/79/72/493947972.db2.gz ZVKYGQBTHUWZPB-UHFFFAOYSA-N 0 0 372.808 3.471 50 30 FGEARN C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000006097839 493951584 /nfs/dbraw/zinc/95/15/84/493951584.db2.gz PMXBKCNSXWKRRR-OAHLLOKOSA-N 0 0 369.494 3.432 50 30 FGEARN COc1cc(/C=C\C(=O)OCc2ccc(C#N)cc2)cc(OC)c1OC ZINC000006497834 493964931 /nfs/dbraw/zinc/96/49/31/493964931.db2.gz PWZDQRVMMOVITN-HJWRWDBZSA-N 0 0 353.374 3.341 50 30 FGEARN C=CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1ccncc1 ZINC000006586442 493968917 /nfs/dbraw/zinc/96/89/17/493968917.db2.gz BORWSNCHDTUSLU-UHFFFAOYSA-N 0 0 356.407 3.198 50 30 FGEARN CC[C@H]1CCc2c(C#N)c(NC(=O)C3CCN(C(C)=O)CC3)sc2C1 ZINC000006731634 493975711 /nfs/dbraw/zinc/97/57/11/493975711.db2.gz MJVHHACPCWUNJZ-ZDUSSCGKSA-N 0 0 359.495 3.332 50 30 FGEARN Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1F ZINC000007235710 494009427 /nfs/dbraw/zinc/00/94/27/494009427.db2.gz MJRRBSSZTFSONN-UHFFFAOYSA-N 0 0 373.438 3.285 50 30 FGEARN CC(C)(C#N)NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000077027438 494010693 /nfs/dbraw/zinc/01/06/93/494010693.db2.gz QWHGGTJPTKRALB-UHFFFAOYSA-N 0 0 355.398 3.167 50 30 FGEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Oc1ccc(F)c(F)c1 ZINC000032923294 494028919 /nfs/dbraw/zinc/02/89/19/494028919.db2.gz VTQHXDFKDCOZIT-NSHDSACASA-N 0 0 355.300 3.480 50 30 FGEARN COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000007668323 494034032 /nfs/dbraw/zinc/03/40/32/494034032.db2.gz PEWKFFUQMMXOCH-UHFFFAOYSA-N 0 0 355.463 3.188 50 30 FGEARN Cc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)s1 ZINC000007700909 494036364 /nfs/dbraw/zinc/03/63/64/494036364.db2.gz YOFVFWNPQSRDGY-CMDGGOBGSA-N 0 0 371.458 3.190 50 30 FGEARN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(F)c(F)c(F)c1F ZINC000084335002 494064807 /nfs/dbraw/zinc/06/48/07/494064807.db2.gz OLUJGTGGKSYAFJ-UHFFFAOYSA-N 0 0 354.181 3.202 50 30 FGEARN C=CCOc1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)cs2)cc1OC ZINC000034712247 494067528 /nfs/dbraw/zinc/06/75/28/494067528.db2.gz QHLCBMHKXFUCGP-CQSZACIVSA-N 0 0 374.462 3.292 50 30 FGEARN O=C(CC1=C(c2ccccc2)CCC1=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000077437020 494083200 /nfs/dbraw/zinc/08/32/00/494083200.db2.gz PTFRTZQBLXCOPX-QGZVFWFLSA-N 0 0 369.461 3.038 50 30 FGEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000008744795 494102431 /nfs/dbraw/zinc/10/24/31/494102431.db2.gz ZTNJPBMGXMZLES-GFCCVEGCSA-N 0 0 357.841 3.327 50 30 FGEARN C=CCNc1nnc(SCC(=O)Nc2cccc3ncccc32)s1 ZINC000008744646 494102647 /nfs/dbraw/zinc/10/26/47/494102647.db2.gz GUQLQUYVZCDFMZ-UHFFFAOYSA-N 0 0 357.464 3.415 50 30 FGEARN COc1ccc(NC(=O)[C@H]2CC(=O)NC(=NN=Cc3ccco3)S2)cc1 ZINC000009011932 494112057 /nfs/dbraw/zinc/11/20/57/494112057.db2.gz MKBDRKARLHCCCT-YFEUJDIGSA-N 0 0 372.406 3.079 50 30 FGEARN N#Cc1cccc(NC(=O)CSCc2nc(-c3ccccc3)no2)c1 ZINC000040067227 494129064 /nfs/dbraw/zinc/12/90/64/494129064.db2.gz WNBSTBVLPXDYLR-UHFFFAOYSA-N 0 0 350.403 3.480 50 30 FGEARN Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009753588 494132431 /nfs/dbraw/zinc/13/24/31/494132431.db2.gz JLCLTPMXHDHFSU-INIZCTEOSA-N 0 0 354.479 3.223 50 30 FGEARN CCOC(=O)N1CCc2nc(N)c(C#N)c(-c3ccc4occc4c3)c2C1 ZINC000072146391 494134400 /nfs/dbraw/zinc/13/44/00/494134400.db2.gz SFESOOQHPYTPCA-UHFFFAOYSA-N 0 0 362.389 3.463 50 30 FGEARN CC1(C)COc2c1cccc2OCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000009915593 494136195 /nfs/dbraw/zinc/13/61/95/494136195.db2.gz JJPLZPLWPBUQEV-ZDUSSCGKSA-N 0 0 361.401 3.488 50 30 FGEARN Cc1cc([C@@H](C#N)C(=O)c2cc(Cl)c3c(c2)OCCCO3)nc(C)n1 ZINC000041562646 494168555 /nfs/dbraw/zinc/16/85/55/494168555.db2.gz MGNVRFBFSHZJDF-CYBMUJFWSA-N 0 0 357.797 3.398 50 30 FGEARN C=C(C)CN(CC)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000065466156 494200888 /nfs/dbraw/zinc/20/08/88/494200888.db2.gz OXPXPIZEBAJOTG-UHFFFAOYSA-N 0 0 361.445 3.488 50 30 FGEARN Cc1ccc(-n2ccnc2SCC(=O)N(CCC#N)CCC#N)cc1C ZINC000012733436 494252205 /nfs/dbraw/zinc/25/22/05/494252205.db2.gz WEJYVGZHIKGJST-UHFFFAOYSA-N 0 0 367.478 3.237 50 30 FGEARN C#CC(CC)(CC)NC(=O)CSc1nnc(-c2cccc(C)c2)n1C ZINC000014197458 494309746 /nfs/dbraw/zinc/30/97/46/494309746.db2.gz STFTZNDQTZPTBO-UHFFFAOYSA-N 0 0 356.495 3.191 50 30 FGEARN N#Cc1ccccc1N1CN(CCc2ccc(Cl)cc2)CC([N+](=O)[O-])=N1 ZINC000020494579 494474916 /nfs/dbraw/zinc/47/49/16/494474916.db2.gz LVUVLRVFUGVSIQ-UHFFFAOYSA-N 0 0 369.812 3.124 50 30 FGEARN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000022834102 494537514 /nfs/dbraw/zinc/53/75/14/494537514.db2.gz BNSQVCQMQXQFPF-UHFFFAOYSA-N 0 0 370.474 3.282 50 30 FGEARN N#Cc1ccc(N2CCC(C(=O)Nc3ccc(OC(F)F)cc3)CC2)nc1 ZINC000023074881 494548228 /nfs/dbraw/zinc/54/82/28/494548228.db2.gz BGKWNOHSLBBBEP-UHFFFAOYSA-N 0 0 372.375 3.410 50 30 FGEARN Cc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c(OCC(F)(F)F)c1 ZINC000057265265 494697737 /nfs/dbraw/zinc/69/77/37/494697737.db2.gz MRERIRHFTCCUTE-INIZCTEOSA-N 0 0 355.360 3.157 50 30 FGEARN N#Cc1cc(F)c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(F)c1 ZINC000095410077 494973850 /nfs/dbraw/zinc/97/38/50/494973850.db2.gz YQOCFGPTXSAMHZ-UHFFFAOYSA-N 0 0 355.344 3.325 50 30 FGEARN COc1cncc([C@H](Nc2nc(C(C)C)ccc2C#N)[C@H]2C[C@@H](O)C2)c1 ZINC000219360730 497008409 /nfs/dbraw/zinc/00/84/09/497008409.db2.gz JSMZADDYTGHYMI-IDHHARJASA-N 0 0 352.438 3.404 50 30 FGEARN Cc1nn(-c2ccccc2)c(C)c1C=NNS(=O)(=O)c1ccc(C)cc1 ZINC000252627431 497314447 /nfs/dbraw/zinc/31/44/47/497314447.db2.gz RTXNHCBWVATSOB-UHFFFAOYSA-N 0 0 368.462 3.110 50 30 FGEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=O)NC2(CCCCC2)C1=O ZINC000254752330 497350347 /nfs/dbraw/zinc/35/03/47/497350347.db2.gz UZUWAXXEJDRJHY-UHFFFAOYSA-N 0 0 365.437 3.078 50 30 FGEARN COc1cc(C#N)ccc1S(=O)(=O)N[C@@]1(C)CCCc2ccccc21 ZINC000332400042 498676280 /nfs/dbraw/zinc/67/62/80/498676280.db2.gz XVDJTPSHAIXRFY-IBGZPJMESA-N 0 0 356.447 3.097 50 30 FGEARN Cc1cc(NCCNC(=O)COc2ccc(Cl)c3cccnc23)n(C)n1 ZINC000328591440 498869120 /nfs/dbraw/zinc/86/91/20/498869120.db2.gz WEOSZASYGSSRSG-UHFFFAOYSA-N 0 0 373.844 3.378 50 30 FGEARN N#Cc1cnc2ccc(Cl)cc2c1NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328661292 498894059 /nfs/dbraw/zinc/89/40/59/498894059.db2.gz AARXVVQSEMBAJN-ORAYPTAESA-N 0 0 371.868 3.161 50 30 FGEARN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC000329188724 499066703 /nfs/dbraw/zinc/06/67/03/499066703.db2.gz PKRSFUVOOIEPBL-KBPBESRZSA-N 0 0 362.405 3.074 50 30 FGEARN N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCCN3c3ccccc32)cc1F ZINC000590175355 506757847 /nfs/dbraw/zinc/75/78/47/506757847.db2.gz ZOFBPPLEAVZNCY-HNNXBMFYSA-N 0 0 371.437 3.265 50 30 FGEARN C=CCC(CC=C)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000585655862 507587806 /nfs/dbraw/zinc/58/78/06/507587806.db2.gz PQNVOPSHYNVYCF-UHFFFAOYSA-N 0 0 367.478 3.246 50 30 FGEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(N(C)C)cc1 ZINC000100910382 518340406 /nfs/dbraw/zinc/34/04/06/518340406.db2.gz KSIVNAHTRPPMAP-MRCUWXFGSA-N 0 0 365.458 3.152 50 30 FGEARN C#CCn1c2ccc(SC)cc2s/c1=N\C(=O)c1cc(C)n(CC)n1 ZINC000101070254 518345132 /nfs/dbraw/zinc/34/51/32/518345132.db2.gz UEZHXDDQRDNQSG-HNENSFHCSA-N 0 0 370.503 3.324 50 30 FGEARN C=C(C)COc1ccccc1C(=O)N(C)Cc1nc(-c2ccncc2)no1 ZINC000055052708 518621645 /nfs/dbraw/zinc/62/16/45/518621645.db2.gz 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Cc1cccc(C[C@H]2S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)c1 ZINC000004803101 204164271 /nfs/dbraw/zinc/16/42/71/204164271.db2.gz FONUROPYNISRLC-YDDPGSGASA-N 0 0 368.418 3.067 50 30 FGEARN Cc1ccc(S(=O)(=O)ONC(=N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000004300376 204131920 /nfs/dbraw/zinc/13/19/20/204131920.db2.gz ZVRJZTAPETUQAV-UHFFFAOYSA-N 0 0 358.341 3.040 50 30 FGEARN N=C(NOC(=O)C=Cc1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000004324003 204133155 /nfs/dbraw/zinc/13/31/55/204133155.db2.gz MWJCSWDHPKLVCF-LZCJLJQNSA-N 0 0 351.771 3.187 50 30 FGEARN CN(C)/C=C(\C(=O)c1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000004369363 204136031 /nfs/dbraw/zinc/13/60/31/204136031.db2.gz CEHLOMWNMIGFNN-FOWTUZBSSA-N 0 0 353.813 3.101 50 30 FGEARN CCc1nnc2n1N(C(C)=O)C(c1ccc(C)c(C)c1)=C(C(C)=O)S2 ZINC000004518319 204143270 /nfs/dbraw/zinc/14/32/70/204143270.db2.gz WQIQCLKJKNCDIY-UHFFFAOYSA-N 0 0 356.451 3.005 50 30 FGEARN Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccco1 ZINC000005345451 204204608 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C[C@@H](NC(=O)COC(=O)c1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006637828 204257418 /nfs/dbraw/zinc/25/74/18/204257418.db2.gz IYPIIZDFSRHIII-YMXMSLLWSA-N 0 0 366.461 3.436 50 30 FGEARN Cc1nn(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c(C#N)c1C ZINC000007441819 204298128 /nfs/dbraw/zinc/29/81/28/204298128.db2.gz QFMSNLQWRISDLQ-UHFFFAOYSA-N 0 0 374.400 3.163 50 30 FGEARN C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCCC ZINC000008396755 204329592 /nfs/dbraw/zinc/32/95/92/204329592.db2.gz IHUAMRKOAMCPEX-UHFFFAOYSA-N 0 0 364.515 3.452 50 30 FGEARN C=CCNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1Sc1ccccn1 ZINC000008554541 204333105 /nfs/dbraw/zinc/33/31/05/204333105.db2.gz ZJOACDNZNNSURG-YBFXNURJSA-N 0 0 373.463 3.125 50 30 FGEARN COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)cc1 ZINC000009274976 204360175 /nfs/dbraw/zinc/36/01/75/204360175.db2.gz QKYPJAMFCJQHFC-INIZCTEOSA-N 0 0 357.431 3.281 50 30 FGEARN N#Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000009335665 204363406 /nfs/dbraw/zinc/36/34/06/204363406.db2.gz 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CC(C)CC[C@@H](C)NC(=O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000046087045 205132672 /nfs/dbraw/zinc/13/26/72/205132672.db2.gz QTSUXXWRBZFFDM-GOSISDBHSA-N 0 0 356.514 3.011 50 30 FGEARN N#Cc1cccnc1NCCNC(=O)Nc1cccc(-c2nccs2)c1 ZINC000056776929 205232812 /nfs/dbraw/zinc/23/28/12/205232812.db2.gz RBXVCGRFZXLRIF-UHFFFAOYSA-N 0 0 364.434 3.310 50 30 FGEARN N#Cc1ccc(NCC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 ZINC000064736287 205303410 /nfs/dbraw/zinc/30/34/10/205303410.db2.gz KBMMROWBFBDEIP-UHFFFAOYSA-N 0 0 356.376 3.487 50 30 FGEARN Cc1noc(-c2ccc(SCC(=O)Nc3ccc(C#N)cc3)nc2)n1 ZINC000065185660 205323343 /nfs/dbraw/zinc/32/33/43/205323343.db2.gz KFZHCHHVUAXYDN-UHFFFAOYSA-N 0 0 351.391 3.043 50 30 FGEARN CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3cccc(C#N)c3)ccc21 ZINC000065020883 205314517 /nfs/dbraw/zinc/31/45/17/205314517.db2.gz FVKKTFOXIKQRSG-UHFFFAOYSA-N 0 0 369.446 3.003 50 30 FGEARN COc1cc2c(cc1-c1cc(-c3ccccn3)nc(N)c1C#N)OCCCO2 ZINC000067743550 205388851 /nfs/dbraw/zinc/38/88/51/205388851.db2.gz 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C=CCNC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000012973923 206298026 /nfs/dbraw/zinc/29/80/26/206298026.db2.gz YANBMFCCSPBZLG-UHFFFAOYSA-N 0 0 372.490 3.191 50 30 FGEARN Cc1ccc(N2C(=O)C[C@H](SC(=NC#N)Nc3ccccc3)C2=O)cc1 ZINC000113481481 206300327 /nfs/dbraw/zinc/30/03/27/206300327.db2.gz RKVKOSHOFXMCJL-INIZCTEOSA-N 0 0 364.430 3.309 50 30 FGEARN CC(C)c1ccc(C#N)c(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)n1 ZINC000091586415 132202531 /nfs/dbraw/zinc/20/25/31/132202531.db2.gz ZLEPFWYLSWRSAE-UHFFFAOYSA-N 0 0 352.482 3.448 50 30 FGEARN Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(c2ccccn2)CC1 ZINC000100562618 132232843 /nfs/dbraw/zinc/23/28/43/132232843.db2.gz UWNDIGLAPWDHKC-XQNSMLJCSA-N 0 0 360.465 3.040 50 30 FGEARN CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 ZINC000002331937 132383175 /nfs/dbraw/zinc/38/31/75/132383175.db2.gz ZYGORYRCFLYRPZ-LSDHHAIUSA-N 0 0 352.438 3.425 50 30 FGEARN CCOc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000023995262 132910048 /nfs/dbraw/zinc/91/00/48/132910048.db2.gz 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504203070 /nfs/dbraw/zinc/20/30/70/504203070.db2.gz YBIDTNNBNMUDOD-QGZVFWFLSA-N 0 0 371.444 3.369 50 30 FGEARN Cc1nnc(N2CCc3c(F)ccc(Br)c3C2)c(C#N)c1C ZINC000590704310 506918002 /nfs/dbraw/zinc/91/80/02/506918002.db2.gz ODVUSYABOGOCCW-UHFFFAOYSA-N 0 0 361.218 3.429 50 30 FGEARN Cc1nc(CN(C)C(=O)c2cccc(-c3cc(C)c(C#N)c(C)n3)c2)no1 ZINC000584892939 507560845 /nfs/dbraw/zinc/56/08/45/507560845.db2.gz AVTRYSCEVYMFDV-UHFFFAOYSA-N 0 0 361.405 3.201 50 30 FGEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)COc1ccccc1 ZINC000100910473 518341424 /nfs/dbraw/zinc/34/14/24/518341424.db2.gz FMKFQUBRBMHTQA-ZZEZOPTASA-N 0 0 356.834 3.496 50 30 FGEARN C=C(C)CN(CC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C ZINC000024719264 518592950 /nfs/dbraw/zinc/59/29/50/518592950.db2.gz PPKYFQZMCJEGMM-UHFFFAOYSA-N 0 0 365.524 3.129 50 30 FGEARN C=CCN1/C(=N\c2cccnc2)SC[C@]1(O)c1ccc(OC)c(OC)c1 ZINC000105477151 518822990 /nfs/dbraw/zinc/82/29/90/518822990.db2.gz DJCAHULGMOZESO-PMIVHWTLSA-N 0 0 371.462 3.166 50 30 FGEARN C=CCNC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000007987820 518900399 /nfs/dbraw/zinc/90/03/99/518900399.db2.gz HDCVINVFSZPXPV-ZBFHGGJFSA-N 0 0 371.510 3.486 50 30 FGEARN C=CCNc1nnc(S[C@H](C)C(=O)N2CCc3ccccc3C2)s1 ZINC000005783886 518968185 /nfs/dbraw/zinc/96/81/85/518968185.db2.gz JFZQCNROKJDSFJ-GFCCVEGCSA-N 0 0 360.508 3.202 50 30 FGEARN C=CCn1nnc(NCc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000015356957 519291415 /nfs/dbraw/zinc/29/14/15/519291415.db2.gz UNUKDFUXAFPPMZ-UHFFFAOYSA-N 0 0 360.215 3.494 50 30 FGEARN CC(C)Oc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccccc1 ZINC000005451794 519785817 /nfs/dbraw/zinc/78/58/17/519785817.db2.gz VBQGARDXXOOOQX-INIZCTEOSA-N 0 0 360.417 3.341 50 30 FGEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2s1 ZINC000007790058 519807768 /nfs/dbraw/zinc/80/77/68/519807768.db2.gz ZYVIJIPGBGFLHM-ORAYPTAESA-N 0 0 373.478 3.215 50 30 FGEARN CCCCCCCC[C@@H](O)CCC(=O)N1CCC[C@H]1c1nncn1C ZINC000253407674 520047331 /nfs/dbraw/zinc/04/73/31/520047331.db2.gz HXVOSMASLGJHTK-SJORKVTESA-N 0 0 350.507 3.370 50 30 FGEARN CCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1 ZINC000005451670 520496590 /nfs/dbraw/zinc/49/65/90/520496590.db2.gz LUWFOHSQAMIDFS-MRXNPFEDSA-N 0 0 360.417 3.342 50 30 FGEARN CCOc1cc2c(cc1/C=C\C(=O)c1ccc3[nH]c(=O)[nH]c3c1)O[C@@H](C)C2 ZINC000050580141 520790543 /nfs/dbraw/zinc/79/05/43/520790543.db2.gz MVQDXOKXWSHXJS-HWPRWLFBSA-N 0 0 364.401 3.474 50 30 FGEARN CCOc1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)cc1 ZINC000002797817 520855152 /nfs/dbraw/zinc/85/51/52/520855152.db2.gz KQEBLBCJWRDZQU-RGVLZGJSSA-N 0 0 352.394 3.092 50 30 FGEARN CCOC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCc1ccccc1 ZINC000033338124 521606414 /nfs/dbraw/zinc/60/64/14/521606414.db2.gz YCDDITMCXVJCAP-BKUYFWCQSA-N 0 0 364.405 3.224 50 30 FGEARN COC(=O)c1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1 ZINC000011334657 521933807 /nfs/dbraw/zinc/93/38/07/521933807.db2.gz RNZUVYPFTJOHPP-JXMROGBWSA-N 0 0 351.402 3.206 50 30 FGEARN COc1cc(CN=Nc2nncc(-c3ccccc3)n2)cc(OC)c1OC ZINC000004476790 521996892 /nfs/dbraw/zinc/99/68/92/521996892.db2.gz GZXYGAGXGXTWCO-RGVLZGJSSA-N 0 0 365.393 3.010 50 30 FGEARN CCc1nnc(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)s1 ZINC000020018959 522722188 /nfs/dbraw/zinc/72/21/88/522722188.db2.gz WCODXDBEMAFPCS-LBPRGKRZSA-N 0 0 363.462 3.038 50 30 FGEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000102705718 523277800 /nfs/dbraw/zinc/27/78/00/523277800.db2.gz ZFXBAAPASUVXDY-IBOXJLQUSA-N 0 0 357.431 3.206 50 30 FGEARN CN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)SC1=Nc1ccccc1 ZINC000252608885 523724138 /nfs/dbraw/zinc/72/41/38/523724138.db2.gz HORRHAYTGMQHEF-MRXNPFEDSA-N 0 0 359.495 3.335 50 30 FGEARN CCc1ccc(-c2nc(SCC(=O)N[C@@](C)(C#N)C(C)C)n[nH]2)cc1 ZINC000008483838 523859964 /nfs/dbraw/zinc/85/99/64/523859964.db2.gz ILHACQMXFLZCKZ-SFHVURJKSA-N 0 0 357.483 3.181 50 30 FGEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cccc(O)c1 ZINC000032942913 524034272 /nfs/dbraw/zinc/03/42/72/524034272.db2.gz WNMTUESMIRSVNA-UNOMPAQXSA-N 0 0 351.402 3.430 50 30 FGEARN Cc1ccc(N2C(=O)[C@H]3[C@H](C#N)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1C ZINC000245312085 524928764 /nfs/dbraw/zinc/92/87/64/524928764.db2.gz SBYZGZPMKFVJRF-TUFLPTIASA-N 0 0 369.424 3.342 50 30 FGEARN O=C(CC1=C(c2ccccc2)CCC1=O)NC[C@H]1COc2ccccc2O1 ZINC000217928656 526335937 /nfs/dbraw/zinc/33/59/37/526335937.db2.gz ZBXODCYLEQTELR-INIZCTEOSA-N 0 0 363.413 3.149 50 30 FGEARN N#CCCN1CCN(C(=S)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000019891918 526459658 /nfs/dbraw/zinc/45/96/58/526459658.db2.gz TUXPESGLZJQQCG-UHFFFAOYSA-N 0 0 370.434 3.062 50 30 FGEARN O=C(Cc1ccccc1Cl)NCC#CCN1CCc2ccccc2C1 ZINC000075165025 527285740 /nfs/dbraw/zinc/28/57/40/527285740.db2.gz QCMGAGLNNXXODQ-UHFFFAOYSA-N 0 0 352.865 3.060 50 30 FGEARN C=CCn1c2ccc(NC(=O)Nc3ccc(OC)c(OC)c3)cc2oc1=O ZINC000046010556 570918708 /nfs/dbraw/zinc/91/87/08/570918708.db2.gz DXJVMAXNBYXHJG-UHFFFAOYSA-N 0 0 369.377 3.442 50 30 FGEARN COc1ccccc1NC(=NC(=O)c1ccccc1)NCc1cccnc1 ZINC000046127881 570927218 /nfs/dbraw/zinc/92/72/18/570927218.db2.gz BAOZJJCQPRWEJF-UHFFFAOYSA-N 0 0 360.417 3.488 50 30 FGEARN Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)ccc2Cl)C3)n1 ZINC000685942368 571102347 /nfs/dbraw/zinc/10/23/47/571102347.db2.gz JTNFIRNBFVWSGS-UGSOOPFHSA-N 0 0 356.813 3.097 50 30 FGEARN CCc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)c(C#N)c1CC ZINC000185484748 712695312 /nfs/dbraw/zinc/69/53/12/712695312.db2.gz KNKHFCICBKHFPF-CQSZACIVSA-N 0 0 355.511 3.418 50 30 FGEARN Cc1ccc(C)c(S(=O)(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000254837266 713676707 /nfs/dbraw/zinc/67/67/07/713676707.db2.gz VUYKQKTYZDTPPD-XSACCCDWSA-N 0 0 359.407 3.189 50 30 FGEARN C=CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C ZINC000007550915 203840487 /nfs/dbraw/zinc/84/04/87/203840487.db2.gz BGQHBPKJLVPECB-AWEZNQCLSA-N 0 0 365.227 3.148 50 30 FGEARN C=CCN1c2ccccc2/C(=C2/SC(N3CCCCC3)=NC2=O)C1=O ZINC000013774381 203856607 /nfs/dbraw/zinc/85/66/07/203856607.db2.gz KCRCLVBCUSHACV-NXVVXOECSA-N 0 0 353.447 3.046 50 30 FGEARN CC(C)C[C@]1(CO)CCCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 ZINC000019842018 203863922 /nfs/dbraw/zinc/86/39/22/203863922.db2.gz KVAVVNHMVOLQBV-JOCHJYFZSA-N 0 0 357.494 3.070 50 30 FGEARN CCOC(=O)COc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1 ZINC000004339906 203919356 /nfs/dbraw/zinc/91/93/56/203919356.db2.gz ZALHQBDWDQVGFS-ZDLGFXPLSA-N 0 0 354.358 3.253 50 30 FGEARN Oc1csc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 ZINC000001415281 204006026 /nfs/dbraw/zinc/00/60/26/204006026.db2.gz TZXMXDVMFZUCLR-DJKKODMXSA-N 0 0 359.838 3.472 50 30 FGEARN CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002302496 204033002 /nfs/dbraw/zinc/03/30/02/204033002.db2.gz WITMKAFPMXVFNQ-HNNXBMFYSA-N 0 0 351.454 3.144 50 30 FGEARN O=C(NOC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000002978251 204072377 /nfs/dbraw/zinc/07/23/77/204072377.db2.gz RJCQRLYGNCTRFI-UHFFFAOYSA-N 0 0 355.133 3.403 50 30 FGEARN Cc1c(/N=C/c2cc3ccccc3[nH]c2=O)c(=O)n(-c2ccccc2)n1C ZINC000003018287 204074196 /nfs/dbraw/zinc/07/41/96/204074196.db2.gz NQCRYOIBDGCOLU-LPYMAVHISA-N 0 0 358.401 3.077 50 30 FGEARN CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000003236970 204083112 /nfs/dbraw/zinc/08/31/12/204083112.db2.gz OPPHLGYLBNSLDX-UHFFFAOYSA-N 0 0 351.406 3.200 50 30 FGEARN COc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3C#N)coc2c1 ZINC000002662256 204050680 /nfs/dbraw/zinc/05/06/80/204050680.db2.gz ZPHPJKHASBAOMB-UHFFFAOYSA-N 0 0 364.357 3.037 50 30 FGEARN Cc1nn(C)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1Br ZINC000002779007 204057029 /nfs/dbraw/zinc/05/70/29/204057029.db2.gz FREVXERIWAILSC-UHFFFAOYSA-N 0 0 365.256 3.165 50 30 FGEARN CCN(CC)C(=O)c1sc(NC(=O)c2cnn(CC)c2C)c(C#N)c1C ZINC000002781957 204057612 /nfs/dbraw/zinc/05/76/12/204057612.db2.gz LMQYWRXNCSWQJO-UHFFFAOYSA-N 0 0 373.482 3.187 50 30 FGEARN CCn1c2ccccc2c2nnc(N=NCc3ccc(OC)cc3O)nc21 ZINC000003898150 204114346 /nfs/dbraw/zinc/11/43/46/204114346.db2.gz AMMNQFWHYAAZRF-RGVLZGJSSA-N 0 0 362.393 3.160 50 30 FGEARN CCOc1ccc2oc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c(C)c2c1 ZINC000003535520 204105507 /nfs/dbraw/zinc/10/55/07/204105507.db2.gz XIIKYJSNLGWNIK-HXUWFJFHSA-N 0 0 372.421 3.351 50 30 FGEARN CC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)N1OC(=O)c1ccco1 ZINC000004573206 204148218 /nfs/dbraw/zinc/14/82/18/204148218.db2.gz ZIGVWNVPNJRUPW-UHFFFAOYSA-N 0 0 362.348 3.052 50 30 FGEARN Clc1cccc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC000004578432 204148291 /nfs/dbraw/zinc/14/82/91/204148291.db2.gz HGIXUQVFMCVIFK-DEDYPNTBSA-N 0 0 371.876 3.171 50 30 FGEARN CCSC1=N/C(=C\c2cc(OC)c(OC(C)=O)c(OC)c2)C(=O)S1 ZINC000004755204 204162190 /nfs/dbraw/zinc/16/21/90/204162190.db2.gz TWJPBBCZGYZEOR-WDZFZDKYSA-N 0 0 367.448 3.353 50 30 FGEARN C/C(=N\N=C(/C)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000004776143 204162550 /nfs/dbraw/zinc/16/25/50/204162550.db2.gz GKLHYGDNXKHVPP-JFMUQQRKSA-N 0 0 352.390 3.462 50 30 FGEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1 ZINC000004331399 204134189 /nfs/dbraw/zinc/13/41/89/204134189.db2.gz ZSNUNWVHVNWUAO-CYBMUJFWSA-N 0 0 367.478 3.376 50 30 FGEARN COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000004387431 204137651 /nfs/dbraw/zinc/13/76/51/204137651.db2.gz QTNYUZBOQSENMV-UHFFFAOYSA-N 0 0 361.741 3.389 50 30 FGEARN Cc1cnn(-c2cc(N=NCc3ccc(Br)cc3)ncn2)c1 ZINC000004452463 204139539 /nfs/dbraw/zinc/13/95/39/204139539.db2.gz OKYIGDCKUCHYDG-UFWORHAWSA-N 0 0 357.215 3.179 50 30 FGEARN O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004488916 204141303 /nfs/dbraw/zinc/14/13/03/204141303.db2.gz FRCMUJUWUASRDP-STQMWFEESA-N 0 0 367.426 3.481 50 30 FGEARN CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccco1 ZINC000004516348 204142490 /nfs/dbraw/zinc/14/24/90/204142490.db2.gz PSZIZXMEGZCWDS-UHFFFAOYSA-N 0 0 353.407 3.160 50 30 FGEARN CCc1nnc2n1N(C(C)=O)C(c1ccc(Cl)cc1)=C(C(C)=O)S2 ZINC000004518259 204143460 /nfs/dbraw/zinc/14/34/60/204143460.db2.gz NLFDOJAAWYQRGW-UHFFFAOYSA-N 0 0 362.842 3.042 50 30 FGEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@@H]1c1ccco1 ZINC000005345657 204205104 /nfs/dbraw/zinc/20/51/04/204205104.db2.gz BUSQRQUCDKPLJG-MRXNPFEDSA-N 0 0 373.372 3.167 50 30 FGEARN O=C(C=C1NCCc2cc3c(cc21)OCO3)c1cc(Cl)nc(Cl)c1 ZINC000005421134 204208901 /nfs/dbraw/zinc/20/89/01/204208901.db2.gz UHDJSQCPXSZZJA-GHXNOFRVSA-N 0 0 363.200 3.487 50 30 FGEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005445538 204209687 /nfs/dbraw/zinc/20/96/87/204209687.db2.gz YXRWCDKBXRLIEF-HNNXBMFYSA-N 0 0 372.764 3.456 50 30 FGEARN O=C1c2ccccc2C(=O)C(NS(=O)(=O)c2cccs2)=C1Cl ZINC000005497986 204211821 /nfs/dbraw/zinc/21/18/21/204211821.db2.gz LMFGKRXDUISZLG-VBKFSLOCSA-N 0 0 353.808 3.240 50 30 FGEARN N#Cc1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000005505983 204212115 /nfs/dbraw/zinc/21/21/15/204212115.db2.gz QGIHJMJZHOYQBY-UHFFFAOYSA-N 0 0 354.347 3.094 50 30 FGEARN O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 ZINC000004899225 204173706 /nfs/dbraw/zinc/17/37/06/204173706.db2.gz IDKIWPXVDZEQTI-PCQWDSEFSA-N 0 0 367.352 3.463 50 30 FGEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 ZINC000005918452 204230815 /nfs/dbraw/zinc/23/08/15/204230815.db2.gz FINPHJSROLJOHU-HXUWFJFHSA-N 0 0 360.417 3.083 50 30 FGEARN N#Cc1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCCC2 ZINC000006059234 204235564 /nfs/dbraw/zinc/23/55/64/204235564.db2.gz HIIYOQBATABCSS-UHFFFAOYSA-N 0 0 358.394 3.433 50 30 FGEARN Cc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccccc1 ZINC000006110223 204237414 /nfs/dbraw/zinc/23/74/14/204237414.db2.gz QSVDISVGQRRAHY-AWEZNQCLSA-N 0 0 369.494 3.399 50 30 FGEARN CCCN1C(=O)/C(=N\NC(=S)Nc2cccc(F)c2)c2ccccc21 ZINC000006274426 204243088 /nfs/dbraw/zinc/24/30/88/204243088.db2.gz KEWMMJNVBDJPCQ-PGMHBOJBSA-N 0 0 356.426 3.273 50 30 FGEARN N#Cc1ccc(O[C@H](C(=O)N2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000007857386 204308826 /nfs/dbraw/zinc/30/88/26/204308826.db2.gz GANFFHMQMVRWPM-SFHVURJKSA-N 0 0 356.809 3.191 50 30 FGEARN N#CCc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008126502 204317966 /nfs/dbraw/zinc/31/79/66/204317966.db2.gz ILNMDTYAOFKUAZ-UHFFFAOYSA-N 0 0 365.477 3.414 50 30 FGEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c(OC)c1 ZINC000009316933 204362539 /nfs/dbraw/zinc/36/25/39/204362539.db2.gz CEFUSYNKHULAEA-VXLYETTFSA-N 0 0 358.398 3.272 50 30 FGEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000009337730 204363697 /nfs/dbraw/zinc/36/36/97/204363697.db2.gz AYLRRJUXMGIYMC-UHFFFAOYSA-N 0 0 368.418 3.426 50 30 FGEARN CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(C#N)ccc2F)C1=O ZINC000009499901 204371014 /nfs/dbraw/zinc/37/10/14/204371014.db2.gz SEUFPYFKNISWBX-HXUWFJFHSA-N 0 0 351.381 3.445 50 30 FGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000019315229 204676685 /nfs/dbraw/zinc/67/66/85/204676685.db2.gz CUBFDZOYQBNDSA-GOSISDBHSA-N 0 0 355.434 3.472 50 30 biogenic,in-vitro FGEARN CCOc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C)CC#N)cc2)cc1 ZINC000058137746 205251046 /nfs/dbraw/zinc/25/10/46/205251046.db2.gz FBKUFUUMIPNLNF-AWEZNQCLSA-N 0 0 360.435 3.458 50 30 FGEARN C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCOCC1 ZINC000058179937 205256048 /nfs/dbraw/zinc/25/60/48/205256048.db2.gz INVOGQZGLRBRCF-OAHLLOKOSA-N 0 0 351.406 3.010 50 30 FGEARN COc1ccc(Br)c(C(=O)Nc2cc(C)nn2CCC#N)c1 ZINC000058224829 205266121 /nfs/dbraw/zinc/26/61/21/205266121.db2.gz GUEQORCIICCEEW-UHFFFAOYSA-N 0 0 363.215 3.129 50 30 FGEARN COc1ccc2cc(C(=O)NCCNc3cccc(F)c3C#N)[nH]c2c1 ZINC000058365641 205272848 /nfs/dbraw/zinc/27/28/48/205272848.db2.gz RKRBXLGOBXVXJR-UHFFFAOYSA-N 0 0 352.369 3.029 50 30 FGEARN N#Cc1ccc(C(=O)N[C@H](c2nnc(N3CCCC3)o2)c2ccccc2)cc1 ZINC000065209469 205324555 /nfs/dbraw/zinc/32/45/55/205324555.db2.gz BPBHGVMVMIQXIB-SFHVURJKSA-N 0 0 373.416 3.061 50 30 FGEARN Cc1ccccc1-n1c(=O)c2sccc2n(Cc2cccc(C#N)c2)c1=O ZINC000067258056 205368782 /nfs/dbraw/zinc/36/87/82/205368782.db2.gz XVYRWAOKQSALSF-UHFFFAOYSA-N 0 0 373.437 3.442 50 30 FGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1c[nH]nc1-c1ccccc1 ZINC000071754343 205440936 /nfs/dbraw/zinc/44/09/36/205440936.db2.gz HAOKSZROPWGHRQ-UHFFFAOYSA-N 0 0 355.405 3.302 50 30 FGEARN COc1cc(OC)c(OC)cc1CNc1cc(C#N)cc([N+](=O)[O-])c1C ZINC000042109656 205985118 /nfs/dbraw/zinc/98/51/18/205985118.db2.gz VKQSJMVWLZJWCC-UHFFFAOYSA-N 0 0 357.366 3.413 50 30 FGEARN C=CCNC(=O)[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)NCCCC)C1 ZINC000037546521 206040627 /nfs/dbraw/zinc/04/06/27/206040627.db2.gz CQOXORHQDWXXJW-AEFFLSMTSA-N 0 0 361.461 3.391 50 30 FGEARN CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OCCOC)cc2)cs1 ZINC000044027662 206061732 /nfs/dbraw/zinc/06/17/32/206061732.db2.gz BMBYEISZYOEQQK-JXMROGBWSA-N 0 0 374.462 3.437 50 30 FGEARN C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC ZINC000044085783 206063890 /nfs/dbraw/zinc/06/38/90/206063890.db2.gz YVOFAQHWWMKFAF-UHFFFAOYSA-N 0 0 366.284 3.337 50 30 FGEARN COC(=O)C1C(C)=Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccc(C#N)cc1 ZINC000000956240 206143172 /nfs/dbraw/zinc/14/31/72/206143172.db2.gz RNZIIGHHNPMGEH-GOSISDBHSA-N 0 0 371.400 3.279 50 30 FGEARN COc1cccc(-c2nc3n(n2)[C@H](c2cccnc2)C2C(=O)CCCC2=N3)c1 ZINC000004189666 206171459 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CCCC(NCCc1ccccc1)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100745609 206225279 /nfs/dbraw/zinc/22/52/79/206225279.db2.gz ZHXAREUKELDLIZ-BBDWDQMGSA-N 0 0 371.477 3.230 50 30 FGEARN C=C(C)COc1ccc2c(C)c(CC(=O)N3COCC3(C)C)c(=O)oc2c1 ZINC000008765324 206217792 /nfs/dbraw/zinc/21/77/92/206217792.db2.gz CHLMZFCREVDLKR-UHFFFAOYSA-N 0 0 371.433 3.194 50 30 FGEARN COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000003357055 206232183 /nfs/dbraw/zinc/23/21/83/206232183.db2.gz MUUUZWACTXGLNR-UHFFFAOYSA-N 0 0 352.799 3.030 50 30 FGEARN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCCC(C)C)c1 ZINC000012912171 206298034 /nfs/dbraw/zinc/29/80/34/206298034.db2.gz KFXFOIBLIHKHDF-OAHLLOKOSA-N 0 0 352.500 3.096 50 30 FGEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000013375929 206301015 /nfs/dbraw/zinc/30/10/15/206301015.db2.gz ZAFWZYJABGQURM-YVLHZVERSA-N 0 0 358.310 3.110 50 30 FGEARN Cc1cccc2c1NC(=O)/C2=C1/S/C(=N\c2ccc(F)cc2)NC1=O ZINC000018247110 206324209 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Cc1ccc(C#N)c(N2CCC(c3nccn3Cc3cscn3)CC2)n1 ZINC000091518994 132202069 /nfs/dbraw/zinc/20/20/69/132202069.db2.gz BLEHRYQVDJDMDZ-UHFFFAOYSA-N 0 0 364.478 3.347 50 30 FGEARN N#Cc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)nc1 ZINC000097527166 132229719 /nfs/dbraw/zinc/22/97/19/132229719.db2.gz OTELCYSBNXEPQL-UHFFFAOYSA-N 0 0 363.284 3.099 50 30 FGEARN CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1 ZINC000002244378 132382873 /nfs/dbraw/zinc/38/28/73/132382873.db2.gz NBFLXMDWICBNDH-HZPDHXFCSA-N 0 0 365.481 3.390 50 30 FGEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000033860492 132933956 /nfs/dbraw/zinc/93/39/56/132933956.db2.gz ACLRSJBDQIGLOM-WCIBSUBMSA-N 0 0 350.418 3.378 50 30 FGEARN N#Cc1cccnc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000052426862 136124334 /nfs/dbraw/zinc/12/43/34/136124334.db2.gz VNYODDMBDAATLZ-UHFFFAOYSA-N 0 0 362.355 3.421 50 30 FGEARN Fc1ccc(N2CCC(=NNC(=S)NCc3ccccc3)CC2)cc1 ZINC000060418737 136132328 /nfs/dbraw/zinc/13/23/28/136132328.db2.gz ZILTUQSAYDUCBI-UHFFFAOYSA-N 0 0 356.470 3.446 50 30 FGEARN N#Cc1cccnc1N1CCC(CNC(=O)c2cc3ccccc3o2)CC1 ZINC000070929114 136138589 /nfs/dbraw/zinc/13/85/89/136138589.db2.gz FGGHYPSCKZREGQ-UHFFFAOYSA-N 0 0 360.417 3.346 50 30 FGEARN N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)nc1 ZINC000071890482 136141356 /nfs/dbraw/zinc/14/13/56/136141356.db2.gz TYBYQEBWASIACX-LJQANCHMSA-N 0 0 352.482 3.351 50 30 FGEARN N#Cc1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000010165678 136151703 /nfs/dbraw/zinc/15/17/03/136151703.db2.gz AZIANYIIJPSMSH-UHFFFAOYSA-N 0 0 353.853 3.493 50 30 FGEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)c1ccc[nH]1)CCC3 ZINC000002622991 263145327 /nfs/dbraw/zinc/14/53/27/263145327.db2.gz RQURMADYQXBDFG-UHFFFAOYSA-N 0 0 371.487 3.436 50 30 FGEARN C=CCn1c(SCC(=O)NC2CCCC2)nc2sc(C)cc2c1=O ZINC000005017297 263337516 /nfs/dbraw/zinc/33/75/16/263337516.db2.gz XBYZZWDMVPEDEQ-UHFFFAOYSA-N 0 0 363.508 3.103 50 30 FGEARN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C1CCN(C(=O)C2CC2)CC1 ZINC000031264208 263391027 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CCOc1cc(/C=N/OC(C)=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000868866 493777545 /nfs/dbraw/zinc/77/75/45/493777545.db2.gz LVIRDPXDLXMTFC-YBFXNURJSA-N 0 0 372.333 3.110 50 30 FGEARN S=C(NN=Cc1n[nH]cc1Br)Nc1ccc(Cl)cc1 ZINC000001043071 493782834 /nfs/dbraw/zinc/78/28/34/493782834.db2.gz VTBFTOWBOOSSRT-GIDUJCDVSA-N 0 0 358.652 3.146 50 30 FGEARN C=CCn1c(SCC(=O)NC(C)C)nnc1-c1ccc2ncccc2c1 ZINC000001040298 493783105 /nfs/dbraw/zinc/78/31/05/493783105.db2.gz XPPCQEGRJWFHFB-UHFFFAOYSA-N 0 0 367.478 3.296 50 30 FGEARN Cc1ccc2ccccc2c1CO/N=C(/c1nonc1N)N1CCCCC1 ZINC000001065584 493784128 /nfs/dbraw/zinc/78/41/28/493784128.db2.gz CEHPOUSJOLMGHF-GFMRDNFCSA-N 0 0 365.437 3.478 50 30 FGEARN C=CCNC(=O)c1cnn2c1nc(-c1ccc(OC)cc1)cc2C(F)F ZINC000002107811 493801374 /nfs/dbraw/zinc/80/13/74/493801374.db2.gz OQYIFUJVARXONH-UHFFFAOYSA-N 0 0 358.348 3.258 50 30 FGEARN C=CCNC(=O)CSc1ncc2c(n1)-c1c(csc1SC)CC2 ZINC000002154941 493802277 /nfs/dbraw/zinc/80/22/77/493802277.db2.gz PPFCNGKDDBHCFS-UHFFFAOYSA-N 0 0 363.533 3.420 50 30 FGEARN C=CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000004802196 493893562 /nfs/dbraw/zinc/89/35/62/493893562.db2.gz VKTLTMMZTQGEEL-DPOBWDHUSA-N 0 0 358.463 3.331 50 30 FGEARN C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)s1 ZINC000005784513 493943030 /nfs/dbraw/zinc/94/30/30/493943030.db2.gz UMOBPIIFAUUBFM-MRVPVSSYSA-N 0 0 355.876 3.304 50 30 FGEARN COCCCn1c(SCC#N)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033114627 494045303 /nfs/dbraw/zinc/04/53/03/494045303.db2.gz NPZSEMSBKKHUJD-UHFFFAOYSA-N 0 0 368.462 3.054 50 30 FGEARN CCCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1nc[nH]n1 ZINC000033175298 494049474 /nfs/dbraw/zinc/04/94/74/494049474.db2.gz RGTYAPXAWMTWSH-UHFFFAOYSA-N 0 0 372.454 3.085 50 30 FGEARN C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)CC1 ZINC000033274701 494056086 /nfs/dbraw/zinc/05/60/86/494056086.db2.gz XQVFQXKDABKDQD-UHFFFAOYSA-N 0 0 370.474 3.130 50 30 FGEARN Cc1ccc(S(=O)(=O)O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000035287599 494072969 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N#CCSc1ccccc1NC(=O)COc1ccc(-c2nnco2)cc1 ZINC000003408399 526479092 /nfs/dbraw/zinc/47/90/92/526479092.db2.gz NPSPSQKTYFNMRP-UHFFFAOYSA-N 0 0 366.402 3.370 50 30 FGEARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NC1(C#N)CCCCC1 ZINC000009457752 526846650 /nfs/dbraw/zinc/84/66/50/526846650.db2.gz RXRGDQYZCYUANJ-UHFFFAOYSA-N 0 0 367.405 3.150 50 30 FGEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1)c1ccccc1 ZINC000102857583 526955386 /nfs/dbraw/zinc/95/53/86/526955386.db2.gz SMTGSSFQAGDNEB-SELCWUDQSA-N 0 0 360.369 3.297 50 30 FGEARN COc1ccc(N2C(=O)C(=O)C(=C(C)O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101152674 570816773 /nfs/dbraw/zinc/81/67/73/570816773.db2.gz KSVIWGMYKBHJGD-ZFOVBUMHSA-N 0 0 368.345 3.092 50 30 FGEARN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C)c2)c1 ZINC000046130526 570928124 /nfs/dbraw/zinc/92/81/24/570928124.db2.gz FEFHZLHEOTYLMY-LJQANCHMSA-N 0 0 367.449 3.381 50 30 FGEARN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2)c1 ZINC000046130522 570928128 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C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023903891 494589903 /nfs/dbraw/zinc/58/99/03/494589903.db2.gz OUXHUHSJTVSJSG-HNNXBMFYSA-N 0 0 353.470 3.118 50 30 FGEARN CC(C)c1n[nH]c(=S)n1CCNC(=O)C(C)(C)c1cccc(C#N)c1 ZINC000080448136 494707378 /nfs/dbraw/zinc/70/73/78/494707378.db2.gz LVILLFXHHHPHLG-UHFFFAOYSA-N 0 0 357.483 3.030 50 30 FGEARN COc1ccc(-c2n[nH]cc2-c2cc(C3CC3)nc(N)c2C#N)cc1OC ZINC000067983139 494718004 /nfs/dbraw/zinc/71/80/04/494718004.db2.gz SGGKRSLDCRMAJD-UHFFFAOYSA-N 0 0 361.405 3.487 50 30 FGEARN C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000091943057 494729988 /nfs/dbraw/zinc/72/99/88/494729988.db2.gz ZCEKPICDYQHRBY-RBUKOAKNSA-N 0 0 352.478 3.207 50 30 FGEARN CCc1nc(C#N)c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)o1 ZINC000027757471 494884233 /nfs/dbraw/zinc/88/42/33/494884233.db2.gz JBOPNRRYRMWVCO-INIZCTEOSA-N 0 0 360.845 3.247 50 30 FGEARN O=C1/C(=C\c2csnn2)CN(C2CCCCC2)C/C1=C/c1csnn1 ZINC000096314584 495009908 /nfs/dbraw/zinc/00/99/08/495009908.db2.gz 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C=CCn1c(C)nn(CN2CCCc3cc(C(=O)N(C)C)ccc32)c1=S ZINC000065603794 534434038 /nfs/dbraw/zinc/43/40/38/534434038.db2.gz FZFLEOBPMDYAGJ-UHFFFAOYSA-N 0 0 371.510 3.021 50 30 FGEARN CCOC(=O)c1cnc(NC(=O)N2CCC[C@H]2c2ccccc2C)n1C ZINC000328595970 521571589 /nfs/dbraw/zinc/57/15/89/521571589.db2.gz MBERRTSPVKPSPS-HNNXBMFYSA-N 0 0 356.426 3.288 50 30 FGEARN COc1cc(C(=O)C=CNc2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000008829730 522048988 /nfs/dbraw/zinc/04/89/88/522048988.db2.gz UVQUSAKEINGEMS-MDZDMXLPSA-N 0 0 370.405 3.479 50 30 FGEARN CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2cccc(OC)c2O)cc1 ZINC000017074575 522428121 /nfs/dbraw/zinc/42/81/21/522428121.db2.gz PCGOPJGUHXOCJH-KZKLBEMASA-N 0 0 362.451 3.227 50 30 FGEARN COc1ccc(C=NNc2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000004824246 523446246 /nfs/dbraw/zinc/44/62/46/523446246.db2.gz UXZBRFDIZWONCO-VXLYETTFSA-N 0 0 351.366 3.294 50 30 FGEARN COc1ccc(C(=O)C(C=NN)=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000100338266 523548815 /nfs/dbraw/zinc/54/88/15/523548815.db2.gz 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526252115 /nfs/dbraw/zinc/25/21/15/526252115.db2.gz VDDIFFDQKJNOSD-UHFFFAOYSA-N 0 0 365.433 3.036 50 30 FGEARN N#C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)C1 ZINC000299799899 526499716 /nfs/dbraw/zinc/49/97/16/526499716.db2.gz VGIRUGUJYXEIDM-INIZCTEOSA-N 0 0 354.454 3.470 50 30 FGEARN N#C[C@H](C(=O)Cc1csc(-c2ccco2)n1)C(=O)Nc1ccc(F)cc1 ZINC000103501890 526505927 /nfs/dbraw/zinc/50/59/27/526505927.db2.gz LMVVZGJJSHRVNI-CQSZACIVSA-N 0 0 369.377 3.432 50 30 FGEARN Cc1nc(-c2ccccc2Cl)nc(SCCN2CCOCC2)c1C#N ZINC000020621676 526605942 /nfs/dbraw/zinc/60/59/42/526605942.db2.gz HFBQPARPDPGGBZ-UHFFFAOYSA-N 0 0 374.897 3.401 50 30 FGEARN NNc1c(F)c(F)c(-c2c(F)c(F)c(NN)c(F)c2F)c(F)c1F ZINC000001627059 527270879 /nfs/dbraw/zinc/27/08/79/527270879.db2.gz NARLZLCXFUDITJ-UHFFFAOYSA-N 0 0 358.192 3.038 50 30 FGEARN COc1nccc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)c1C#N ZINC000077392579 537145763 /nfs/dbraw/zinc/14/57/63/537145763.db2.gz CFGMWDLPKYUTRH-NRFANRHFSA-N 0 0 368.481 3.113 50 30 FGEARN COc1cccc(NC(=NC(=O)c2cccc(C)c2)NC[C@H]2CCCO2)c1 ZINC000046129550 570927646 /nfs/dbraw/zinc/92/76/46/570927646.db2.gz ASCXXHRMVWOQGS-LJQANCHMSA-N 0 0 367.449 3.381 50 30 FGEARN N#CCc1cccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1 ZINC000084425325 571084940 /nfs/dbraw/zinc/08/49/40/571084940.db2.gz NHERTBBSKZKDLH-UHFFFAOYSA-N 0 0 351.406 3.037 50 30 FGEARN CC[C@@H]1S/C(=N\S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O ZINC000100718551 700466786 /nfs/dbraw/zinc/46/67/86/700466786.db2.gz LJJFKVYEKJAUTC-DVEDPGPFSA-N 0 0 360.460 3.290 50 30 FGEARN CC1(C)CC(=O)C(=CNCc2cc(Cl)c3c(c2)OCCCO3)C(=O)C1 ZINC000101018556 700466874 /nfs/dbraw/zinc/46/68/74/700466874.db2.gz IDGCGKHTKPFWLZ-UHFFFAOYSA-N 0 0 363.841 3.433 50 30 FGEARN CCOc1ccc(C=NNS(=O)(=O)c2cc(C)ccc2C)cc1OC ZINC000254567378 713675963 /nfs/dbraw/zinc/67/59/63/713675963.db2.gz SOBQWPZEABXKHE-UHFFFAOYSA-N 0 0 362.451 3.023 50 30 FGEARN Cc1cccc(NC(=S)NN=Cc2ccc(N(C)CCO)cc2)c1C ZINC000254734847 713676271 /nfs/dbraw/zinc/67/62/71/713676271.db2.gz 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C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CCC#N)N=C2C)cc1OC ZINC000005910747 493945440 /nfs/dbraw/zinc/94/54/40/493945440.db2.gz CPIAEAGDCRWIPO-ZROIWOOFSA-N 0 0 359.813 3.429 50 30 FGEARN C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000006625747 493971053 /nfs/dbraw/zinc/97/10/53/493971053.db2.gz GBWKOHFFHFEALN-VFNWGFHPSA-N 0 0 373.456 3.414 50 30 FGEARN N#Cc1cccc(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000006864894 493984377 /nfs/dbraw/zinc/98/43/77/493984377.db2.gz GPNNDCSDLGAFKT-UHFFFAOYSA-N 0 0 355.188 3.261 50 30 FGEARN C=CCn1c(C)nnc1SCc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000006909815 493986453 /nfs/dbraw/zinc/98/64/53/493986453.db2.gz URRGNJORRFJZNS-UHFFFAOYSA-N 0 0 357.435 3.439 50 30 FGEARN COc1cc(COC(=O)COc2ccccc2C#N)ccc1OC(F)F ZINC000007313025 494014565 /nfs/dbraw/zinc/01/45/65/494014565.db2.gz WVCPHIYMNSFBFC-UHFFFAOYSA-N 0 0 363.316 3.290 50 30 FGEARN C[C@H](OC(=O)c1cc(F)cc(F)c1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007622374 494031134 /nfs/dbraw/zinc/03/11/34/494031134.db2.gz 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N#Cc1cccnc1N1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000019880217 494462774 /nfs/dbraw/zinc/46/27/74/494462774.db2.gz JZPRXSSRBFLZNF-UHFFFAOYSA-N 0 0 357.417 3.461 50 30 FGEARN COc1ccc(Cl)cc1NC(=O)c1sc2nc(N)c(C#N)cc2c1N ZINC000020000511 494465543 /nfs/dbraw/zinc/46/55/43/494465543.db2.gz FQLYPTICHRBTPL-UHFFFAOYSA-N 0 0 373.825 3.247 50 30 FGEARN O=C(NC1=N[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1)c1cccc(Cl)c1 ZINC000020135732 494468083 /nfs/dbraw/zinc/46/80/83/494468083.db2.gz WUAXRQIJGQNLFV-CQSZACIVSA-N 0 0 372.768 3.170 50 30 FGEARN Cc1ccc2c(CN3CCN(Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000020407888 494472193 /nfs/dbraw/zinc/47/21/93/494472193.db2.gz BBRBPNFJZHCCBA-UHFFFAOYSA-N 0 0 373.456 3.291 50 30 FGEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)nc(NCCCO)c2CO1 ZINC000020572977 494476765 /nfs/dbraw/zinc/47/67/65/494476765.db2.gz KJXUXOXMYCDAPM-UHFFFAOYSA-N 0 0 352.438 3.342 50 30 FGEARN N#Cc1c(NCCN2CCOCC2)nc(-c2ccccc2)c2c1CCCC2 ZINC000020589627 494476877 /nfs/dbraw/zinc/47/68/77/494476877.db2.gz 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COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(OC)c1 ZINC000000888405 210286369 /nfs/dbraw/zinc/28/63/69/210286369.db2.gz LQNPDUSQQATVLN-UHFFFAOYSA-N 0 0 357.435 3.318 50 30 FGEARN COc1ccc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)cc1OC ZINC000000850688 210280836 /nfs/dbraw/zinc/28/08/36/210280836.db2.gz DZSJAWFGKFKIJO-UHFFFAOYSA-N 0 0 369.384 3.497 50 30 FGEARN CN1C2=C(C(=O)CCC2)C(c2ccc3c(c2)OCO3)C2=C1CCCC2=O ZINC000000807403 210273948 /nfs/dbraw/zinc/27/39/48/210273948.db2.gz VRPOLYFZGKXYNK-UHFFFAOYSA-N 0 0 351.402 3.459 50 30 FGEARN N#Cc1c(N)nc(-c2ccccc2)cc1-c1cnc(NC[C@H]2CCCO2)nc1 ZINC000067743746 221280420 /nfs/dbraw/zinc/28/04/20/221280420.db2.gz SIQYXQDQQVSOHO-MRXNPFEDSA-N 0 0 372.432 3.250 50 30 FGEARN CC[C@H]1CCc2nc(N)c(C#N)c(-c3cc(OC)c(O)c(OC)c3)c2C1 ZINC000071404181 221346477 /nfs/dbraw/zinc/34/64/77/221346477.db2.gz SICYFXZKHVHICS-NSHDSACASA-N 0 0 353.422 3.440 50 30 FGEARN Cc1nc(N)sc1-c1cc(-c2cc(C(C)(C)C)[nH]n2)c(C#N)c(N)n1 ZINC000071747522 221359412 /nfs/dbraw/zinc/35/94/12/221359412.db2.gz 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N#Cc1cc2n(n1)CCCN(C(=O)C[C@H](c1ccco1)c1ccccc1)C2 ZINC000065427920 221218917 /nfs/dbraw/zinc/21/89/17/221218917.db2.gz XWMIHRVCZQJAQY-IBGZPJMESA-N 0 0 360.417 3.302 50 30 FGEARN COc1ccc2cc(-c3cc(-c4cnc(N)nc4)c(C#N)c(N)n3)ccc2c1 ZINC000067447043 221254883 /nfs/dbraw/zinc/25/48/83/221254883.db2.gz QSZRFUYFSPEXAC-UHFFFAOYSA-N 0 0 368.400 3.403 50 30 FGEARN CCn1cc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)cc1C#N ZINC000067818872 221290022 /nfs/dbraw/zinc/29/00/22/221290022.db2.gz NJJGDGGFIPILNB-UHFFFAOYSA-N 0 0 359.389 3.277 50 30 FGEARN N#Cc1cc2c(ccn(Cc3csc(-c4cccs4)n3)c2=O)nc1O ZINC000067866845 221296196 /nfs/dbraw/zinc/29/61/96/221296196.db2.gz XBJVKRPOYQWGRL-UHFFFAOYSA-N 0 0 366.427 3.207 50 30 FGEARN C[NH+](C)Cc1cc(-c2cc(-c3cccc(O)c3)nc(N)c2C#N)ccc1[O-] ZINC000067872311 221298397 /nfs/dbraw/zinc/29/83/97/221298397.db2.gz HACGOCPKTDJAJJ-UHFFFAOYSA-N 0 0 360.417 3.342 50 30 FGEARN N#C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1cnn(-c2ccccc2)c1 ZINC000068400430 221315249 /nfs/dbraw/zinc/31/52/49/221315249.db2.gz UIKVVRLANQSUBB-RTBURBONSA-N 0 0 358.401 3.119 50 30 FGEARN CC(=O)Nc1ccc(-c2c3c(nc(N)c2C#N)-c2ccc(O)cc2C3)cc1 ZINC000071388570 221344962 /nfs/dbraw/zinc/34/49/62/221344962.db2.gz IWQAINPJZYSVIF-UHFFFAOYSA-N 0 0 356.385 3.438 50 30 FGEARN CS(=O)(=O)c1ccc(-c2cc(Cc3ccccc3)c(C#N)c(N)n2)cc1 ZINC000071416314 221346198 /nfs/dbraw/zinc/34/61/98/221346198.db2.gz IJJBBJDPJANFEF-UHFFFAOYSA-N 0 0 363.442 3.197 50 30 FGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cccn1-c1cccnc1 ZINC000071416289 221346233 /nfs/dbraw/zinc/34/62/33/221346233.db2.gz XCZNMEZEENHHPC-UHFFFAOYSA-N 0 0 355.405 3.097 50 30 FGEARN CCCn1nnc2cc(-c3cc(-c4ccc(CO)o4)c(C#N)c(N)n3)ccc21 ZINC000071589538 221351650 /nfs/dbraw/zinc/35/16/50/221351650.db2.gz QRAHJDQZXYCMLX-UHFFFAOYSA-N 0 0 374.404 3.109 50 30 FGEARN COc1ccccc1-n1cc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)cn1 ZINC000071735955 221357079 /nfs/dbraw/zinc/35/70/79/221357079.db2.gz MNAPPFNJCBYNLQ-UHFFFAOYSA-N 0 0 368.400 3.459 50 30 FGEARN COC(=O)c1cc(-c2cc(-c3ccc(C)cn3)nc(N)c2C#N)cs1 ZINC000071753902 221364298 /nfs/dbraw/zinc/36/42/98/221364298.db2.gz JCXZKFWFNCLFFC-UHFFFAOYSA-N 0 0 350.403 3.421 50 30 FGEARN CN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097111849 132227775 /nfs/dbraw/zinc/22/77/75/132227775.db2.gz PPVRBBVBODQZLS-LJQANCHMSA-N 0 0 360.417 3.213 50 30 FGEARN C=CCN1CCN(C(=O)Nc2ccc(OC)cc2OC)c2cccnc21 ZINC000064929556 132305427 /nfs/dbraw/zinc/30/54/27/132305427.db2.gz NPCKSCXPSGRBDY-UHFFFAOYSA-N 0 0 354.410 3.143 50 30 FGEARN Cc1cccnc1NC(=O)[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000058184681 136130795 /nfs/dbraw/zinc/13/07/95/136130795.db2.gz WZEKGCABXQKSCP-CQSZACIVSA-N 0 0 356.376 3.395 50 30 FGEARN N#Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)nc1 ZINC000072454323 136148464 /nfs/dbraw/zinc/14/84/64/136148464.db2.gz HZIMMTLBMQLOBE-QFIPXVFZSA-N 0 0 360.461 3.362 50 30 FGEARN CC(NCCOC(=O)Nc1ccccc1)=C1C(=O)c2ccccc2C1=O ZINC000100430383 222244317 /nfs/dbraw/zinc/24/43/17/222244317.db2.gz UJPOFOLQVCEIKK-UHFFFAOYSA-N 0 0 350.374 3.178 50 30 FGEARN C=CCN1C(=O)/C(=N\NC(=S)Nc2ccccc2F)c2ccccc21 ZINC000100584656 222247923 /nfs/dbraw/zinc/24/79/23/222247923.db2.gz AZPVXAJGJPBTSE-PGMHBOJBSA-N 0 0 354.410 3.049 50 30 FGEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccncc1 ZINC000101285202 222267989 /nfs/dbraw/zinc/26/79/89/222267989.db2.gz NHOUPGJBDWRFBH-QGZVFWFLSA-N 0 0 355.442 3.476 50 30 FGEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)n2ncc(C#N)c2N1 ZINC000101483623 222276969 /nfs/dbraw/zinc/27/69/69/222276969.db2.gz RQMVJGOXSDRBHO-IBGZPJMESA-N 0 0 371.400 3.388 50 30 FGEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C)cc1 ZINC000102730068 222306997 /nfs/dbraw/zinc/30/69/97/222306997.db2.gz VYRISYJODJTKLP-HVESIFNPSA-N 0 0 355.390 3.046 50 30 FGEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000102799798 222308332 /nfs/dbraw/zinc/30/83/32/222308332.db2.gz OEWCLIIKZMYMMM-IDTYTIONSA-N 0 0 361.781 3.001 50 30 FGEARN C=CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000003465701 263329483 /nfs/dbraw/zinc/32/94/83/263329483.db2.gz RPZLYLGMMPWFIE-UHFFFAOYSA-N 0 0 368.437 3.468 50 30 FGEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cnccn1 ZINC000005081555 263338799 /nfs/dbraw/zinc/33/87/99/263338799.db2.gz BAUYKTCDGWHPCV-UHFFFAOYSA-N 0 0 354.395 3.122 50 30 FGEARN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O ZINC000020820040 263382602 /nfs/dbraw/zinc/38/26/02/263382602.db2.gz MUAZPKFVXQSSKM-LJQANCHMSA-N 0 0 369.808 3.058 50 30 FGEARN C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)o1 ZINC000000695713 493770207 /nfs/dbraw/zinc/77/02/07/493770207.db2.gz YVMUNLUGUHHHLV-XNTDXEJSSA-N 0 0 357.229 3.053 50 30 FGEARN COc1cccc(/C=N/n2cnnc2SCc2ccc(C)cc2)c1O ZINC000000940371 493779360 /nfs/dbraw/zinc/77/93/60/493779360.db2.gz FYQRTOUCNDMASK-KEBDBYFISA-N 0 0 354.435 3.475 50 30 FGEARN N#Cc1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000002544887 493811170 /nfs/dbraw/zinc/81/11/70/493811170.db2.gz BTNSXUWXUDYPCY-UHFFFAOYSA-N 0 0 373.199 3.214 50 30 FGEARN Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000002617293 493812210 /nfs/dbraw/zinc/81/22/10/493812210.db2.gz ZKTBCHSJUBTXRE-UHFFFAOYSA-N 0 0 350.374 3.012 50 30 FGEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(-n3cccc3)cc2)C1=O ZINC000002872117 493823366 /nfs/dbraw/zinc/82/33/66/493823366.db2.gz FWQCLAIJFUCLPZ-QHCPKHFHSA-N 0 0 372.424 3.471 50 30 aggregator FGEARN CCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002987106 493828410 /nfs/dbraw/zinc/82/84/10/493828410.db2.gz CAHZSQWWSCHCLZ-LDADJPATSA-N 0 0 352.843 3.441 50 30 FGEARN N#Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1 ZINC000058190594 493831507 /nfs/dbraw/zinc/83/15/07/493831507.db2.gz KRUYKVGIPTVNMQ-INIZCTEOSA-N 0 0 354.454 3.251 50 30 FGEARN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1ccccc1Cl ZINC000003351319 493840285 /nfs/dbraw/zinc/84/02/85/493840285.db2.gz FIOBXMINHFISGV-ZDUSSCGKSA-N 0 0 370.840 3.109 50 30 FGEARN CN(C)c1ccc(C=[NH+][N-]c2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000003897855 493858906 /nfs/dbraw/zinc/85/89/06/493858906.db2.gz YFYCIDBYRQDLPP-FSJBWODESA-N 0 0 357.421 3.328 50 30 FGEARN Cc1cccn2c1nc1sc(C(=O)Nc3ccc(C#N)cc3)cc1c2=O ZINC000003910326 493859941 /nfs/dbraw/zinc/85/99/41/493859941.db2.gz OBVYVCPWXLJZEW-UHFFFAOYSA-N 0 0 360.398 3.342 50 30 FGEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCCC3)cc2C)cc1 ZINC000004106776 493865085 /nfs/dbraw/zinc/86/50/85/493865085.db2.gz LZEFQZSBKRORTF-XSFVSMFZSA-N 0 0 357.479 3.216 50 30 FGEARN CCOC(=O)c1c(C)[nH]nc1N=NC(C)c1ccc(Br)cc1 ZINC000004337449 493873166 /nfs/dbraw/zinc/87/31/66/493873166.db2.gz JPQPBBDKIQHWBQ-RQZCQDPDSA-N 0 0 365.231 3.493 50 30 FGEARN CCSc1nc2n(n1)[C@H](c1ccc(O)c(OC)c1)C1C(=O)CCCC1=N2 ZINC000004436201 493877079 /nfs/dbraw/zinc/87/70/79/493877079.db2.gz GRTKQYNOPDOSNQ-MRXNPFEDSA-N 0 0 372.450 3.126 50 30 FGEARN CCOc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000004436052 493877174 /nfs/dbraw/zinc/87/71/74/493877174.db2.gz XJYZNKWIFBJZOM-MRXNPFEDSA-N 0 0 356.451 3.421 50 30 FGEARN C/C(Cc1ccccc1)=N\NS(=O)(=O)c1ccc(Br)cc1 ZINC000004498878 493879587 /nfs/dbraw/zinc/87/95/87/493879587.db2.gz QVECRLUJWGERGV-SFQUDFHCSA-N 0 0 367.268 3.346 50 30 FGEARN C/C(=N/OC(=O)c1ccccc1I)c1ccncc1 ZINC000004724506 493889893 /nfs/dbraw/zinc/88/98/93/493889893.db2.gz VVUIJBNFTKZSPY-YVLHZVERSA-N 0 0 366.158 3.267 50 30 FGEARN COc1cc(OC)c(CN=Nc2nc(C)cc(C)n2)cc1Br ZINC000004897627 493900177 /nfs/dbraw/zinc/90/01/77/493900177.db2.gz CTLBWETUZBWVQI-CAOOACKPSA-N 0 0 365.231 3.319 50 30 FGEARN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 ZINC000004945343 493902993 /nfs/dbraw/zinc/90/29/93/493902993.db2.gz XJOIFOWRFRAHGS-GOSISDBHSA-N 0 0 371.433 3.235 50 30 FGEARN C[C@H]1CCc2c(C#N)c(NC(=O)CS(=O)(=O)c3ccccc3)sc2C1 ZINC000005189786 493918325 /nfs/dbraw/zinc/91/83/25/493918325.db2.gz WLXSHJCRIZNEID-LBPRGKRZSA-N 0 0 374.487 3.157 50 30 FGEARN Cc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2N)c(C)c1 ZINC000005320992 493925107 /nfs/dbraw/zinc/92/51/07/493925107.db2.gz BHSAQXLEOAPFDY-UHFFFAOYSA-N 0 0 365.462 3.352 50 30 FGEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005445505 493931333 /nfs/dbraw/zinc/93/13/33/493931333.db2.gz YXRWCDKBXRLIEF-OAHLLOKOSA-N 0 0 372.764 3.456 50 30 FGEARN COc1ccc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000005494480 493933010 /nfs/dbraw/zinc/93/30/10/493933010.db2.gz HPKXLCSLBUCZBH-CJLVFECKSA-N 0 0 369.465 3.259 50 30 FGEARN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)c(O)c3)S2)cc1 ZINC000005529737 493934153 /nfs/dbraw/zinc/93/41/53/493934153.db2.gz LPLGARBWOKZZFE-YBEGLDIGSA-N 0 0 356.403 3.301 50 30 FGEARN CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S1 ZINC000005647605 493938018 /nfs/dbraw/zinc/93/80/18/493938018.db2.gz VUZDEWSCONAAPY-OVCLIPMQSA-N 0 0 371.374 3.270 50 30 FGEARN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)Cc3cccs3)C2)n1 ZINC000081813483 493958883 /nfs/dbraw/zinc/95/88/83/493958883.db2.gz AXPHDTPYJYQWAX-INIZCTEOSA-N 0 0 354.479 3.198 50 30 FGEARN CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000006570680 493968020 /nfs/dbraw/zinc/96/80/20/493968020.db2.gz ZLWMBZQHUXZJJP-QPJJXVBHSA-N 0 0 354.362 3.328 50 30 aggregator FGEARN Cc1nc(SCC(=O)NCCc2ccccc2F)c(C#N)c(C)c1C ZINC000007097482 494000651 /nfs/dbraw/zinc/00/06/51/494000651.db2.gz RFQKOHIFLSVNPM-UHFFFAOYSA-N 0 0 357.454 3.469 50 30 FGEARN CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000007247558 494010257 /nfs/dbraw/zinc/01/02/57/494010257.db2.gz DOQKAGJCDGSDFO-UHFFFAOYSA-N 0 0 354.353 3.398 50 30 FGEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2(C#N)CCCC2)n1 ZINC000007718992 494038124 /nfs/dbraw/zinc/03/81/24/494038124.db2.gz DMTMUVVXZRJLAO-UHFFFAOYSA-N 0 0 368.384 3.325 50 30 FGEARN C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007736679 494039928 /nfs/dbraw/zinc/03/99/28/494039928.db2.gz TVQCYXWUFXAIFJ-CQSZACIVSA-N 0 0 354.410 3.189 50 30 FGEARN N#Cc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1 ZINC000007976089 494056595 /nfs/dbraw/zinc/05/65/95/494056595.db2.gz UIOPVFJERMTVBJ-UHFFFAOYSA-N 0 0 374.400 3.132 50 30 FGEARN COc1ccc(NC(=O)[C@H]2CCCN2CCOc2cccc(C#N)c2)cc1 ZINC000052715676 494056767 /nfs/dbraw/zinc/05/67/67/494056767.db2.gz AFSVWACRRCJRSI-HXUWFJFHSA-N 0 0 365.433 3.049 50 30 FGEARN COc1ccc(NC(=O)[C@@H]2CCCN2CCOc2cccc(C#N)c2)cc1 ZINC000052715675 494057193 /nfs/dbraw/zinc/05/71/93/494057193.db2.gz AFSVWACRRCJRSI-FQEVSTJZSA-N 0 0 365.433 3.049 50 30 FGEARN COc1ccc([N+](=O)[O-])cc1/C=C1\S/C(=N\c2ccccc2)NC1=O ZINC000033286179 494057370 /nfs/dbraw/zinc/05/73/70/494057370.db2.gz KPJAUOGSUDYGII-GDNBJRDFSA-N 0 0 355.375 3.495 50 30 FGEARN C=CCN1C(=O)C(=Cc2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S ZINC000033333119 494059221 /nfs/dbraw/zinc/05/92/21/494059221.db2.gz XSOJBIBLQOOXEN-YBEGLDIGSA-N 0 0 366.446 3.142 50 30 FGEARN O=[N+]([O-])c1ccc(CN=Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000033384144 494059875 /nfs/dbraw/zinc/05/98/75/494059875.db2.gz SESZXNGGJUTTKW-FBHDLOMBSA-N 0 0 359.349 3.170 50 30 FGEARN CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000008057676 494063988 /nfs/dbraw/zinc/06/39/88/494063988.db2.gz PHBBGDQRZKEDQS-IBGZPJMESA-N 0 0 372.446 3.005 50 30 FGEARN COc1cccc(N2C[C@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)c1 ZINC000008247849 494078222 /nfs/dbraw/zinc/07/82/22/494078222.db2.gz LECLSJPFCMIIDA-CYBMUJFWSA-N 0 0 369.808 3.212 50 30 FGEARN CCn1cc(CN2CCN(c3nc4ccccc4s3)CC2)cc1C#N ZINC000077440485 494083660 /nfs/dbraw/zinc/08/36/60/494083660.db2.gz PFDJABNGYJEXLT-UHFFFAOYSA-N 0 0 351.479 3.312 50 30 FGEARN N#Cc1cnn(-c2ccccc2)c1/N=C/N1CCN(c2ccccc2)CC1 ZINC000008382939 494088823 /nfs/dbraw/zinc/08/88/23/494088823.db2.gz XLQUFSQPVPSBNN-HAVVHWLPSA-N 0 0 356.433 3.226 50 30 FGEARN C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398582 494088979 /nfs/dbraw/zinc/08/89/79/494088979.db2.gz MBAMKSAELMJPPY-UHFFFAOYSA-N 0 0 350.488 3.062 50 30 FGEARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)ccc1O ZINC000008690379 494099716 /nfs/dbraw/zinc/09/97/16/494099716.db2.gz STMOTPQPVIMOQV-QGZVFWFLSA-N 0 0 354.431 3.077 50 30 FGEARN CC(=O)N[C@H](N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000038141298 494111767 /nfs/dbraw/zinc/11/17/67/494111767.db2.gz FHLMWTNXCBZALF-SECBINFHSA-N 0 0 356.257 3.106 50 30 FGEARN Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccccc2Cl)n1 ZINC000009184152 494116614 /nfs/dbraw/zinc/11/66/14/494116614.db2.gz OHYWVLDMISTJOQ-UHFFFAOYSA-N 0 0 352.785 3.057 50 30 FGEARN Cc1ccc([C@](O)(CCNC(=O)Nc2ccc(C#N)cc2)C(F)(F)F)o1 ZINC000040067671 494128871 /nfs/dbraw/zinc/12/88/71/494128871.db2.gz NLJQRWVWJPVALP-MRXNPFEDSA-N 0 0 367.327 3.421 50 30 FGEARN C=CCn1c(CNC(=O)c2ccco2)nnc1SCc1ccc(F)cc1 ZINC000009614903 494128944 /nfs/dbraw/zinc/12/89/44/494128944.db2.gz CMWUHOXILLFHEI-UHFFFAOYSA-N 0 0 372.425 3.419 50 30 FGEARN NC(=S)N/N=C/c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000009943032 494137102 /nfs/dbraw/zinc/13/71/02/494137102.db2.gz UUSQYXZKIKPCBO-VXLYETTFSA-N 0 0 358.492 3.046 50 30 FGEARN CC(C)c1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(N)=O)cnn32)cc1 ZINC000040268938 494139777 /nfs/dbraw/zinc/13/97/77/494139777.db2.gz 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N#Cc1cccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 ZINC000032983698 494034259 /nfs/dbraw/zinc/03/42/59/494034259.db2.gz CFSXNKUNSIMVCH-UHFFFAOYSA-N 0 0 362.458 3.126 50 30 FGEARN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1F ZINC000052824620 494066124 /nfs/dbraw/zinc/06/61/24/494066124.db2.gz QLVKOTRDHJDRIN-UHFFFAOYSA-N 0 0 356.357 3.066 50 30 FGEARN COc1ccc(OC[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 ZINC000077520832 494103683 /nfs/dbraw/zinc/10/36/83/494103683.db2.gz TWGGGTBCVAVQJN-KRWDZBQOSA-N 0 0 350.418 3.498 50 30 FGEARN CN(CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000008938192 494109687 /nfs/dbraw/zinc/10/96/87/494109687.db2.gz XMFGNLNYGQVYPG-UHFFFAOYSA-N 0 0 358.239 3.391 50 30 FGEARN C=CCNC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000009625772 494129394 /nfs/dbraw/zinc/12/93/94/494129394.db2.gz CUWKDJAZDWRFHD-UHFFFAOYSA-N 0 0 350.831 3.285 50 30 FGEARN COc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1N1CCCC1=O ZINC000040091231 494131185 /nfs/dbraw/zinc/13/11/85/494131185.db2.gz JOUBITDOPYSTOZ-UHFFFAOYSA-N 0 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CCOc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1OC ZINC000096400364 222120151 /nfs/dbraw/zinc/12/01/51/222120151.db2.gz AXWQUCDNPANUPK-UVTDQMKNSA-N 0 0 358.415 3.148 50 30 FGEARN CN(C)C(=O)CN1C/C(=C/c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000097053761 222154987 /nfs/dbraw/zinc/15/49/87/222154987.db2.gz NGCCCVGYDHMVOQ-TYPNBTCFSA-N 0 0 372.515 3.250 50 30 FGEARN COc1ccccc1S(=O)(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000097095508 222158133 /nfs/dbraw/zinc/15/81/33/222158133.db2.gz JHDFOOHYSOQYQD-UHFFFAOYSA-N 0 0 350.484 3.472 50 30 FGEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101231792 222266680 /nfs/dbraw/zinc/26/66/80/222266680.db2.gz TWEQVSYRBCBMNB-HVESIFNPSA-N 0 0 364.357 3.203 50 30 FGEARN C=CCNc1nnc(S[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)s1 ZINC000100118818 222236011 /nfs/dbraw/zinc/23/60/11/222236011.db2.gz JCWCSVJRFFCSEN-CYBMUJFWSA-N 0 0 374.491 3.177 50 30 FGEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=N/Nc1cccc([N+](=O)[O-])c1)C3=O ZINC000100499349 222245470 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FGEARN COc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCC4)ccc1O ZINC000252590895 497313034 /nfs/dbraw/zinc/31/30/34/497313034.db2.gz AWWUAKOAHQNABZ-UHFFFAOYSA-N 0 0 369.446 3.242 50 30 FGEARN COC(=O)c1ccc(C=NOCc2nc(-c3ccccc3C)no2)cc1 ZINC000254313170 497347922 /nfs/dbraw/zinc/34/79/22/497347922.db2.gz NWAQIJNDJJWWGK-UHFFFAOYSA-N 0 0 351.362 3.382 50 30 FGEARN NC(=S)NN=Cc1c(-c2ccccc2)nc2sc3c(n12)CCCC3 ZINC000254520256 497348590 /nfs/dbraw/zinc/34/85/90/497348590.db2.gz CLWPKPXAUTVJBA-UHFFFAOYSA-N 0 0 355.492 3.109 50 30 FGEARN COC(=O)c1ccc(C=NOCC(=O)N[C@@H](c2cccs2)C(C)C)cc1 ZINC000254569985 497349912 /nfs/dbraw/zinc/34/99/12/497349912.db2.gz ZSXOXOKKWFJEGY-GOSISDBHSA-N 0 0 374.462 3.399 50 30 FGEARN COc1cc(C=NOCC(=O)NC2CCCCC2)ccc1OC(F)F ZINC000254759227 497350616 /nfs/dbraw/zinc/35/06/16/497350616.db2.gz JOZLGBGDSQPLMQ-UHFFFAOYSA-N 0 0 356.369 3.096 50 30 FGEARN O=C(NCC#Cc1cccc(F)c1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000328763653 498930491 /nfs/dbraw/zinc/93/04/91/498930491.db2.gz ZNWNZDZNSMCFBX-UHFFFAOYSA-N 0 0 357.429 3.062 50 30 FGEARN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)C[C@@H]3CCCCC(=O)N3)n2)c1 ZINC000328862576 498966024 /nfs/dbraw/zinc/96/60/24/498966024.db2.gz ZCIPBUDHDKPWQG-STQMWFEESA-N 0 0 356.430 3.482 50 30 FGEARN Cc1noc([C@H]2CCN([C@H](C)C(=O)Nc3nc4ccccc4s3)C2)n1 ZINC000328952242 498997098 /nfs/dbraw/zinc/99/70/98/498997098.db2.gz CWFNJECMBYPPNQ-PWSUYJOCSA-N 0 0 357.439 3.454 50 30 FGEARN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329290587 499092352 /nfs/dbraw/zinc/09/23/52/499092352.db2.gz QRBBIQZKAGOZCT-BRWVUGGUSA-N 0 0 350.846 3.121 50 30 FGEARN Cc1nc([C@H]2CCCN(C(=O)c3ccc(-c4ncccc4C#N)cc3)C2)no1 ZINC000426511826 500282349 /nfs/dbraw/zinc/28/23/49/500282349.db2.gz VGGATOSUMGDMSO-SFHVURJKSA-N 0 0 373.416 3.332 50 30 FGEARN Cc1oc(C#N)cc1C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000582524863 506272851 /nfs/dbraw/zinc/27/28/51/506272851.db2.gz XALBRLVYKSDWKL-UHFFFAOYSA-N 0 0 366.417 3.473 50 30 FGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100910333 518341014 /nfs/dbraw/zinc/34/10/14/518341014.db2.gz YKLTUMVUCPGZGV-HNENSFHCSA-N 0 0 351.387 3.294 50 30 FGEARN CC(C)(C)C(=O)Nc1cccc(NCC(=O)NC2(C#N)CCCCC2)c1 ZINC000024359361 518590234 /nfs/dbraw/zinc/59/02/34/518590234.db2.gz FYRXDPRNYLTUOO-UHFFFAOYSA-N 0 0 356.470 3.426 50 30 FGEARN C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2C1=O ZINC000008076954 518848572 /nfs/dbraw/zinc/84/85/72/518848572.db2.gz DINIPXGYOLWWTR-UHFFFAOYSA-N 0 0 354.793 3.052 50 30 FGEARN C=CCNC(=O)CSc1nc2sc(C)nc2c(-c2ccccc2)n1 ZINC000035682629 518897548 /nfs/dbraw/zinc/89/75/48/518897548.db2.gz FUUAPZDXGARNTQ-UHFFFAOYSA-N 0 0 356.476 3.456 50 30 FGEARN C=CCO[C@H](CN1CCN(C(=O)CCCC)CC1)c1cccc(OC)c1 ZINC000034915457 518999843 /nfs/dbraw/zinc/99/98/43/518999843.db2.gz CEPFNFOGJOYQPI-HXUWFJFHSA-N 0 0 360.498 3.273 50 30 FGEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccncc1 ZINC000001225114 519210595 /nfs/dbraw/zinc/21/05/95/519210595.db2.gz UDSIFTVVMBQNMK-ZBFHGGJFSA-N 0 0 371.510 3.313 50 30 FGEARN C=CCn1cc(-c2cn([C@H](C)c3ccc4c(c3)OCCCO4)nn2)c(C)n1 ZINC000092046674 519275497 /nfs/dbraw/zinc/27/54/97/519275497.db2.gz YVOJHKALKNYAPA-OAHLLOKOSA-N 0 0 365.437 3.407 50 30 FGEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CSc1ccc(Cl)cc1 ZINC000007777275 519807660 /nfs/dbraw/zinc/80/76/60/519807660.db2.gz ZLRGYXHDWJCZJN-MRXNPFEDSA-N 0 0 354.859 3.030 50 30 FGEARN CCOC(=O)C(=NNc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000003130698 520396235 /nfs/dbraw/zinc/39/62/35/520396235.db2.gz XCMMPGSWHVUKNW-QOCHGBHMSA-N 0 0 354.406 3.228 50 30 FGEARN CCOC(=O)[C@@H]1S[C@H](c2ccccc2)[C@H](C#N)[C@]1(O)c1ccccc1 ZINC000239439225 521142133 /nfs/dbraw/zinc/14/21/33/521142133.db2.gz ZPRSFVJGPUMQRX-HLNWXESRSA-N 0 0 353.443 3.434 50 30 FGEARN CCn1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1cccs1 ZINC000004516608 523222173 /nfs/dbraw/zinc/22/21/73/523222173.db2.gz VDYDCJJXYXXNHG-UHFFFAOYSA-N 0 0 361.496 3.071 50 30 FGEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccc1F ZINC000017163393 523278051 /nfs/dbraw/zinc/27/80/51/523278051.db2.gz HCQPZSJSIISBHG-QGZVFWFLSA-N 0 0 373.380 3.342 50 30 FGEARN COc1ccc(C(=N)NOC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004318702 523368642 /nfs/dbraw/zinc/36/86/42/523368642.db2.gz FQMHZVXTYFVBMJ-UHFFFAOYSA-N 0 0 358.438 3.084 50 30 FGEARN CCc1cc(C)cc(OCCOc2cccc(/C=N/n3cnnc3)c2)c1 ZINC000002958960 523785579 /nfs/dbraw/zinc/78/55/79/523785579.db2.gz KZVRHRWGNXVNDL-YDZHTSKRSA-N 0 0 350.422 3.489 50 30 FGEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccc(CO)cc1 ZINC000018156612 524034403 /nfs/dbraw/zinc/03/44/03/524034403.db2.gz BRUDVKPTBPFWPP-NDENLUEZSA-N 0 0 365.429 3.216 50 30 FGEARN COc1cccc(CN=Nc2nnnn2-c2cccc3ccccc32)c1OC ZINC000004188407 525772080 /nfs/dbraw/zinc/77/20/80/525772080.db2.gz WVMZKNJXVXXXST-FYJGNVAPSA-N 0 0 374.404 3.279 50 30 FGEARN C[C@@H](Sc1ccccc1)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000024166533 525993069 /nfs/dbraw/zinc/99/30/69/525993069.db2.gz RNPGWMPNWFBIPK-LSDHHAIUSA-N 0 0 360.479 3.442 50 30 FGEARN N#CCCCN1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000002204094 526446320 /nfs/dbraw/zinc/44/63/20/526446320.db2.gz YQHJOHDNFYRPOO-GNNUASRNSA-N 0 0 360.413 3.197 50 30 FGEARN N#CCN(C(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000008074185 526469488 /nfs/dbraw/zinc/46/94/88/526469488.db2.gz DMMBWIKJHVSLMP-UHFFFAOYSA-N 0 0 353.451 3.139 50 30 FGEARN N/C(=N\O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000098071658 526805968 /nfs/dbraw/zinc/80/59/68/526805968.db2.gz ROHLBMBCFADFMX-UHFFFAOYSA-N 0 0 365.433 3.394 50 30 FGEARN O=[N+]([O-])c1ccc2[nH]c(CSc3n[nH]c(N=NC4CCCC4)n3)nc2c1 ZINC000020494184 527380074 /nfs/dbraw/zinc/38/00/74/527380074.db2.gz RGHLZXRGQKEXLH-UHFFFAOYSA-N 0 0 372.414 3.223 50 30 FGEARN CN(CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)CC(=O)OC(C)(C)C ZINC000101735439 570823309 /nfs/dbraw/zinc/82/33/09/570823309.db2.gz MIVLGVFHYVLBRX-LDADJPATSA-N 0 0 358.482 3.141 50 30 FGEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(O)cc(O)c2)C1=O ZINC000103325049 570847697 /nfs/dbraw/zinc/84/76/97/570847697.db2.gz TWWLGADTCXAKBX-OQLLNIDSSA-N 0 0 369.398 3.251 50 30 FGEARN COc1ccc([C@@H]2c3c(=O)[nH]c(C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000044974046 570904202 /nfs/dbraw/zinc/90/42/02/570904202.db2.gz PYQFJNLGIIYPPE-INIZCTEOSA-N 0 0 365.433 3.288 50 30 FGEARN CCOc1ccccc1NC(=NC(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000046129122 570927690 /nfs/dbraw/zinc/92/76/90/570927690.db2.gz JRSAGBZGSMQHMP-KRWDZBQOSA-N 0 0 367.449 3.462 50 30 FGEARN COc1cccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@H]2CCCO2)c1 ZINC000046129592 570928194 /nfs/dbraw/zinc/92/81/94/570928194.db2.gz ZISYNWPYBKBNSN-LJQANCHMSA-N 0 0 367.449 3.381 50 30 FGEARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN(C)c1ccc(C#N)cn1 ZINC000049978701 570966160 /nfs/dbraw/zinc/96/61/60/570966160.db2.gz MXYIZCGSACDVLA-MRXNPFEDSA-N 0 0 352.438 3.121 50 30 FGEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1N1CCCCC1 ZINC000034769453 571147734 /nfs/dbraw/zinc/14/77/34/571147734.db2.gz LQGKEWGRYDNIQH-UHFFFAOYSA-N 0 0 374.897 3.376 50 30 FGEARN CCOC(=O)C1CCN(CC(=O)Nc2nc3ccc(Cl)cc3o2)CC1 ZINC000032954002 695748733 /nfs/dbraw/zinc/74/87/33/695748733.db2.gz CJOYFNOADNLOJL-UHFFFAOYSA-N 0 0 365.817 3.344 50 30 FGEARN CSc1nc(Oc2ccc(Cl)cc2)cc(-n2ncc(C#N)c2N)n1 ZINC000000684962 210262394 /nfs/dbraw/zinc/26/23/94/210262394.db2.gz LHRHTNLQUWAHRU-UHFFFAOYSA-N 0 0 358.814 3.284 50 30 FGEARN COc1ccccc1/C=C/C=C1\Oc2cc(OS(C)(=O)=O)ccc2C1=O ZINC000005215689 210228525 /nfs/dbraw/zinc/22/85/25/210228525.db2.gz DEDAIOJUWHPMGL-GIADAODISA-N 0 0 372.398 3.206 50 30 FGEARN C=CCn1c2sc(C)c(C)c2c2nc(Cc3ccccc3)nn2c1=O ZINC000032094030 210168250 /nfs/dbraw/zinc/16/82/50/210168250.db2.gz GHILZWCOHPDXAW-UHFFFAOYSA-N 0 0 350.447 3.499 50 30 FGEARN C=CCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCC(C)C)cc1 ZINC000028290198 210164410 /nfs/dbraw/zinc/16/44/10/210164410.db2.gz LBFIZKSTSAHDRB-QGZVFWFLSA-N 0 0 360.479 3.243 50 30 FGEARN C=CCSc1nnc(NC(=O)c2cncc(Br)c2)s1 ZINC000020835968 210156992 /nfs/dbraw/zinc/15/69/92/210156992.db2.gz QRGKIEQMEOXDPZ-UHFFFAOYSA-N 0 0 357.258 3.226 50 30 FGEARN C=CCn1c(SCC(N)=O)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001465520 210147417 /nfs/dbraw/zinc/14/74/17/210147417.db2.gz DFLOXBKSGCEMCY-UHFFFAOYSA-N 0 0 371.487 3.197 50 30 FGEARN C=CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000013305906 210141472 /nfs/dbraw/zinc/14/14/72/210141472.db2.gz CRWCZJHINCGXGS-KAMYIIQDSA-N 0 0 363.460 3.016 50 30 FGEARN C=CCC1(CC=C)CCCN1C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000011936978 210138525 /nfs/dbraw/zinc/13/85/25/210138525.db2.gz TZCIGWCKNJUZHS-SFHVURJKSA-N 0 0 367.493 3.334 50 30 FGEARN Cc1sc2nc(SCC#CCO)n(-c3ccccc3)c(=O)c2c1C ZINC000008715424 210137862 /nfs/dbraw/zinc/13/78/62/210137862.db2.gz BXKFMXZLPRVMHE-UHFFFAOYSA-N 0 0 356.472 3.152 50 30 FGEARN C=CCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000007361672 210108244 /nfs/dbraw/zinc/10/82/44/210108244.db2.gz RXDUMBJPLLVVLB-ZDUSSCGKSA-N 0 0 357.479 3.294 50 30 FGEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000065331431 210099752 /nfs/dbraw/zinc/09/97/52/210099752.db2.gz CBSNFODORPHARE-GOSISDBHSA-N 0 0 361.376 3.498 50 30 FGEARN C=CCn1c2cc(C(=O)NCc3ccccc3OCC)ccc2oc1=O ZINC000064894725 210098332 /nfs/dbraw/zinc/09/83/32/210098332.db2.gz PTCUVBGGKAYVOG-UHFFFAOYSA-N 0 0 352.390 3.109 50 30 FGEARN COC(=O)CC1S/C(=N\c2ccccc2)N(c2ccc(OC)cc2)C1=O ZINC000005243236 210081352 /nfs/dbraw/zinc/08/13/52/210081352.db2.gz NTVKQDGQCFUEKB-DVSFIDLUSA-N 0 0 370.430 3.394 50 30 FGEARN CC(C)(O)C#Cc1cccc(C(=O)N2CCCN(c3ccccc3)CC2)c1 ZINC000215673303 210078251 /nfs/dbraw/zinc/07/82/51/210078251.db2.gz HCQQWEBJHIYWHM-UHFFFAOYSA-N 0 0 362.473 3.162 50 30 FGEARN C=CCN(Cc1ccccc1OCC)C(=O)[C@@H]1CC(=O)OC12CCCC2 ZINC000055153284 210069161 /nfs/dbraw/zinc/06/91/61/210069161.db2.gz KVCJVHRIXKGFRA-KRWDZBQOSA-N 0 0 357.450 3.476 50 30 FGEARN CCCN(CC#Cc1ccccc1)C(=O)CCc1nc(-c2ccncc2)no1 ZINC000055393723 210068804 /nfs/dbraw/zinc/06/88/04/210068804.db2.gz CPRFKVUALSZKLJ-UHFFFAOYSA-N 0 0 374.444 3.355 50 30 FGEARN C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)N(C)CC)nc2c1=O ZINC000072469344 210065497 /nfs/dbraw/zinc/06/54/97/210065497.db2.gz NBGQWENOWAKHLA-UHFFFAOYSA-N 0 0 370.840 3.094 50 30 FGEARN COc1ccc(N2C(=O)C[C@H](Sc3nc(C)cc(C)c3C#N)C2=O)cc1 ZINC000000778157 219319188 /nfs/dbraw/zinc/31/91/88/219319188.db2.gz XZFGAHCCRVGBDU-INIZCTEOSA-N 0 0 367.430 3.003 50 30 FGEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000002967610 219478789 /nfs/dbraw/zinc/47/87/89/219478789.db2.gz STLVBGHFTMZCKT-KRWDZBQOSA-N 0 0 372.446 3.075 50 30 FGEARN CCOP(=O)(OCC)[C@@H](NC=CC(=O)C(F)(F)F)C(F)(F)F ZINC000004864127 219616671 /nfs/dbraw/zinc/61/66/71/219616671.db2.gz KOACMJYRHRQUGR-HQZHTGGTSA-N 0 0 357.187 3.376 50 30 FGEARN C=C1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000003170062 212016338 /nfs/dbraw/zinc/01/63/38/212016338.db2.gz KOCYPWMJMMKXKE-QZTJIDSGSA-N 0 0 352.390 3.083 50 30 FGEARN C=CCN1C(=S)N=NC1c1sc(NC(=O)c2ccc(C)nc2)nc1C ZINC000012773807 220027829 /nfs/dbraw/zinc/02/78/29/220027829.db2.gz DEEZJTGOKLYQKJ-UHFFFAOYSA-N 0 0 372.479 3.140 50 30 FGEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1 ZINC000016956948 220198610 /nfs/dbraw/zinc/19/86/10/220198610.db2.gz DWINKQZQKSKHSC-CYBMUJFWSA-N 0 0 370.840 3.206 50 30 FGEARN Cc1cc(C)n(CN2CCN(C(=O)c3cccs3)CC2)c(=S)c1C#N ZINC000023653039 211392600 /nfs/dbraw/zinc/39/26/00/211392600.db2.gz IOWKUNCPGYLYAS-UHFFFAOYSA-N 0 0 372.519 3.183 50 30 FGEARN CCOC(=O)c1c(C)nc(N)c(C#N)c1-c1cccc(Br)c1 ZINC000019898839 211262137 /nfs/dbraw/zinc/26/21/37/211262137.db2.gz KFUCDFYNAAWYKD-UHFFFAOYSA-N 0 0 360.211 3.450 50 30 FGEARN O=C1c2ccccc2C(=O)C(N2CCN(Cc3ccccc3)CC2)=C1Cl ZINC000019868584 211259453 /nfs/dbraw/zinc/25/94/53/211259453.db2.gz GDIYAJQFJXLQFN-UHFFFAOYSA-N 0 0 366.848 3.334 50 30 FGEARN CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccccc1 ZINC000017242631 211182866 /nfs/dbraw/zinc/18/28/66/211182866.db2.gz OZUFKUTXMDGQAZ-OBAOGOGRSA-N 0 0 357.410 3.416 50 30 FGEARN O=C1CCCC2=Nc3nnnn3[C@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000018196052 211193900 /nfs/dbraw/zinc/19/39/00/211193900.db2.gz HATHDRCSCNGBOS-LJQANCHMSA-N 0 0 359.389 3.487 50 30 FGEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccn1 ZINC000018195653 211193662 /nfs/dbraw/zinc/19/36/62/211193662.db2.gz GNIHLJSEVQPTSI-GOSISDBHSA-N 0 0 358.401 3.125 50 30 FGEARN O=S(=O)(N/N=C\c1cnc2ccccc2n1)c1ccc2ccccc2c1 ZINC000017074540 211177594 /nfs/dbraw/zinc/17/75/94/211177594.db2.gz JOUGHIOIPYKPFV-BKUYFWCQSA-N 0 0 362.414 3.095 50 30 FGEARN C/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1c(O)cccc1O ZINC000017074557 211177356 /nfs/dbraw/zinc/17/73/56/211177356.db2.gz BWVKWMCRETZYJU-UNOMPAQXSA-N 0 0 362.451 3.098 50 30 FGEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000016261461 211158607 /nfs/dbraw/zinc/15/86/07/211158607.db2.gz NNSJBDRMQGUBNE-UHFFFAOYSA-N 0 0 351.362 3.424 50 30 FGEARN Fc1ccc([C@@H](CNC(=S)NC2CCCCC2)N2CCOCC2)cc1 ZINC000013688131 211049189 /nfs/dbraw/zinc/04/91/89/211049189.db2.gz XQLMGACVXFXMOY-GOSISDBHSA-N 0 0 365.518 3.407 50 30 FGEARN N#Cc1ccc(Cc2cnc(NC(=O)CCN3CCSC3=O)s2)cc1 ZINC000012947459 211012446 /nfs/dbraw/zinc/01/24/46/211012446.db2.gz LTLMPYKHXAYOQR-UHFFFAOYSA-N 0 0 372.475 3.103 50 30 FGEARN CC(C)c1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000012324336 210942880 /nfs/dbraw/zinc/94/28/80/210942880.db2.gz SLSXCZBIRQYDFY-UHFFFAOYSA-N 0 0 371.481 3.319 50 30 FGEARN CC[C@H](C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1)c1ccccc1 ZINC000009184036 210819770 /nfs/dbraw/zinc/81/97/70/210819770.db2.gz XIPNCYFXMODNJJ-KRWDZBQOSA-N 0 0 360.421 3.283 50 30 FGEARN COc1ccccc1CN(C)C(=O)CSc1nc(C)cc(C)c1C#N ZINC000006983482 210721311 /nfs/dbraw/zinc/72/13/11/210721311.db2.gz CADPLKVJYQFWLP-UHFFFAOYSA-N 0 0 355.463 3.329 50 30 FGEARN Cc1ccc(NC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc1Cl ZINC000004699975 210553582 /nfs/dbraw/zinc/55/35/82/210553582.db2.gz GGFPKLVPCCPCER-UHFFFAOYSA-N 0 0 357.797 3.114 50 30 FGEARN CC(C)CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C#N)cc2)C1=O ZINC000003231206 210456134 /nfs/dbraw/zinc/45/61/34/210456134.db2.gz QFZPAYQBEMCVAB-QFIPXVFZSA-N 0 0 362.429 3.412 50 30 FGEARN CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)NC[C@H]1CCCO1 ZINC000003178989 210454374 /nfs/dbraw/zinc/45/43/74/210454374.db2.gz NIEBMPFPTGZEDD-LLVKDONJSA-N 0 0 360.241 3.051 50 30 FGEARN CCNC(=S)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 ZINC000002542543 210404683 /nfs/dbraw/zinc/40/46/83/210404683.db2.gz GEOSHSULGXFSKQ-XFSMVHDFSA-N 0 0 353.447 3.123 50 30 FGEARN N#Cc1c2ncn(Cc3ccccc3Cl)c(=O)c2n2c1CCCCC2 ZINC000002256982 210386510 /nfs/dbraw/zinc/38/65/10/210386510.db2.gz BLKOYZFXPHZLKO-UHFFFAOYSA-N 0 0 352.825 3.498 50 30 FGEARN N#Cc1nc(COc2ccccc2Cl)oc1NCCCn1ccnc1 ZINC000002204568 210382805 /nfs/dbraw/zinc/38/28/05/210382805.db2.gz VQQJUKHPMGBOBU-UHFFFAOYSA-N 0 0 357.801 3.477 50 30 FGEARN S=C1N=NC(c2cccnc2)N1N=Cc1cccc(Br)c1 ZINC000001475325 210356296 /nfs/dbraw/zinc/35/62/96/210356296.db2.gz DEYHGWKQCKSUTF-CAOOACKPSA-N 0 0 360.240 3.274 50 30 FGEARN CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN3CCOCC3)CC[C@H]21 ZINC000020111587 220312767 /nfs/dbraw/zinc/31/27/67/220312767.db2.gz MXGIYHZVIKLRKE-CBQOVEMMSA-N 0 0 355.478 3.420 50 30 FGEARN CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001304946 210341416 /nfs/dbraw/zinc/34/14/16/210341416.db2.gz JYITUTIUAGZZFP-SFHVURJKSA-N 0 0 368.364 3.273 50 30 FGEARN CC(O)=C1C(=O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001219694 210337412 /nfs/dbraw/zinc/33/74/12/210337412.db2.gz AHJNKHUMWMOWCD-QGZVFWFLSA-N 0 0 352.346 3.392 50 30 FGEARN O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@@H]1n1nnc([N+](=O)[O-])n1 ZINC000001079211 210315064 /nfs/dbraw/zinc/31/50/64/210315064.db2.gz HRIMPJVBIURDQV-CJNGLKHVSA-N 0 0 367.390 3.024 50 30 FGEARN O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@@H]1n1nnc([N+](=O)[O-])n1 ZINC000001079202 210314883 /nfs/dbraw/zinc/31/48/83/210314883.db2.gz RRNWTPYCEVWZSQ-CJNGLKHVSA-N 0 0 367.390 3.024 50 30 FGEARN COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1OC ZINC000001026211 210303668 /nfs/dbraw/zinc/30/36/68/210303668.db2.gz FUCKKIBGOGIYKT-UHFFFAOYSA-N 0 0 357.435 3.318 50 30 FGEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc2c(c1)OCO2)c1ccccc1OC ZINC000000915653 210290682 /nfs/dbraw/zinc/29/06/82/210290682.db2.gz VUELZPLNAANNNG-DNVCBOLYSA-N 0 0 353.374 3.259 50 30 FGEARN COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000000865336 210283104 /nfs/dbraw/zinc/28/31/04/210283104.db2.gz GQEBOFUZBFTKKM-UDWIEESQSA-N 0 0 366.377 3.152 50 30 FGEARN CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccccc2)cc1 ZINC000000836433 210279649 /nfs/dbraw/zinc/27/96/49/210279649.db2.gz CVQPUZPHCUWVPS-SFHVURJKSA-N 0 0 365.385 3.352 50 30 FGEARN N#Cc1cccc(Cn2c(=O)cccc2-c2nc(-c3ccccc3)no2)c1 ZINC000065150226 221172507 /nfs/dbraw/zinc/17/25/07/221172507.db2.gz ACODLSVRYKXZPI-UHFFFAOYSA-N 0 0 354.369 3.485 50 30 FGEARN N#Cc1cc2c(ccn(Cc3ccccc3N3CCCCC3)c2=O)nc1O ZINC000067713451 221274923 /nfs/dbraw/zinc/27/49/23/221274923.db2.gz GTBHPPZQUVVBAZ-UHFFFAOYSA-N 0 0 360.417 3.012 50 30 FGEARN Cc1cc(O)ccc1-c1cc(-c2ccc(OCCO)cc2)c(C#N)c(N)n1 ZINC000071575110 221352548 /nfs/dbraw/zinc/35/25/48/221352548.db2.gz CCZQLQPIYGJDLS-UHFFFAOYSA-N 0 0 361.401 3.255 50 30 FGEARN C=Cc1cccc(-c2cc(-c3ccccc3OCC(N)=O)nc(N)c2C#N)c1 ZINC000071730618 221356893 /nfs/dbraw/zinc/35/68/93/221356893.db2.gz SMNLSAFHEGEUKB-UHFFFAOYSA-N 0 0 370.412 3.377 50 30 FGEARN CCn1cc(-c2cc(-c3cnn(-c4ccccc4)c3)nc(N)c2C#N)cn1 ZINC000071750943 221362137 /nfs/dbraw/zinc/36/21/37/221362137.db2.gz XXBDAZMSJBIRTQ-UHFFFAOYSA-N 0 0 355.405 3.272 50 30 FGEARN COc1cc2c(cc1-c1cc(-c3cc[nH]c3)nc(N)c1C#N)OCCCO2 ZINC000071754342 221364757 /nfs/dbraw/zinc/36/47/57/221364757.db2.gz LDGBDKJZUGXYLA-UHFFFAOYSA-N 0 0 362.389 3.367 50 30 FGEARN O=C1c2ccc(O)cc2O/C1=C\c1cc2ccccc2nc1N1CCOCC1 ZINC000096930453 132226593 /nfs/dbraw/zinc/22/65/93/132226593.db2.gz ALGONUZDQPSAME-NDENLUEZSA-N 0 0 374.396 3.393 50 30 FGEARN N#Cc1ccc(N2CCN(c3cncc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000225535257 132285181 /nfs/dbraw/zinc/28/51/81/132285181.db2.gz CYTNNYSTFPXKQI-UHFFFAOYSA-N 0 0 359.389 3.341 50 30 FGEARN N#Cc1cccnc1OC1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000096102860 222024276 /nfs/dbraw/zinc/02/42/76/222024276.db2.gz FESUDQVLPGDNGS-UHFFFAOYSA-N 0 0 371.824 3.055 50 30 FGEARN COc1ccccc1/C=C\C(=O)c1cc(Br)ccc(=O)c1O ZINC000097474822 222183366 /nfs/dbraw/zinc/18/33/66/222183366.db2.gz DPJGKQFFWYJGRO-VURMDHGXSA-N 0 0 361.191 3.420 50 30 FGEARN N#Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)c1 ZINC000098212609 222231541 /nfs/dbraw/zinc/23/15/41/222231541.db2.gz WYCPXBTYGMITHO-UHFFFAOYSA-N 0 0 371.444 3.347 50 30 FGEARN Cc1nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c(C#N)c(C)c1C ZINC000100084488 222233985 /nfs/dbraw/zinc/23/39/85/222233985.db2.gz NXIFNXDCCWDSJE-MRXNPFEDSA-N 0 0 351.431 3.303 50 30 FGEARN N#Cc1nc(=O)n(-c2ccc(Cl)cc2)c(N)c1N=Cc1ccc(F)cc1 ZINC000100413503 222243269 /nfs/dbraw/zinc/24/32/69/222243269.db2.gz DZUCQEFXNKLKIK-AANSTMGCSA-N 0 0 367.771 3.060 50 30 FGEARN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000100710836 222250184 /nfs/dbraw/zinc/25/01/84/222250184.db2.gz RBUFIKDCAXIWHP-DOMZBBRYSA-N 0 0 355.419 3.392 50 30 FGEARN C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O ZINC000100895846 222256929 /nfs/dbraw/zinc/25/69/29/222256929.db2.gz LSTIRXMYIOVILX-YFUPBZDXSA-N 0 0 364.423 3.039 50 30 FGEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1ccccc1 ZINC000102864399 222311889 /nfs/dbraw/zinc/31/18/89/222311889.db2.gz LCWRBNOTWODFOD-SELCWUDQSA-N 0 0 357.369 3.103 50 30 FGEARN CCOc1cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O ZINC000102897077 222313512 /nfs/dbraw/zinc/31/35/12/222313512.db2.gz SAPFULPWTCHBRF-BKUYFWCQSA-N 0 0 351.406 3.339 50 30 FGEARN C(=C/c1nc2ccccc2n1C[C@H]1CO1)\c1nc2ccccc2n1C[C@H]1CO1 ZINC000005338668 263340581 /nfs/dbraw/zinc/34/05/81/263340581.db2.gz HCYNDNKYCCHALF-IGXNXKSNSA-N 0 0 372.428 3.354 50 30 FGEARN C=CCOc1ccc(-c2nonc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000012407122 263370509 /nfs/dbraw/zinc/37/05/09/263370509.db2.gz QCZXXNRHRKMIDW-UHFFFAOYSA-N 0 0 366.333 3.462 50 30 FGEARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCCCC#N)cc1 ZINC000021838325 263385108 /nfs/dbraw/zinc/38/51/08/263385108.db2.gz MNRDIRYXTLGSLW-IYBDPMFKSA-N 0 0 358.438 3.315 50 30 FGEARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCCCC#N)cc1 ZINC000021838322 263385203 /nfs/dbraw/zinc/38/52/03/263385203.db2.gz MNRDIRYXTLGSLW-HZPDHXFCSA-N 0 0 358.438 3.315 50 30 FGEARN Cc1nc(/C=C/C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cs1 ZINC000022393700 263386060 /nfs/dbraw/zinc/38/60/60/263386060.db2.gz TWZXEHYKWQMRND-IPLHWJFFSA-N 0 0 370.453 3.013 50 30 FGEARN N#CCOc1ccc(NC(=O)Cc2csc(Cc3ccccn3)n2)cc1 ZINC000040130663 263402202 /nfs/dbraw/zinc/40/22/02/263402202.db2.gz UXNNFGXKWKISHZ-UHFFFAOYSA-N 0 0 364.430 3.212 50 30 FGEARN Cc1cc(Cl)c(S(=O)(=O)N/N=C/c2ccc(O)cc2)c(Cl)c1 ZINC000002308466 493805848 /nfs/dbraw/zinc/80/58/48/493805848.db2.gz PBXVXGQIIOZDRA-CAOOACKPSA-N 0 0 359.234 3.320 50 30 FGEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000002622468 493811975 /nfs/dbraw/zinc/81/19/75/493811975.db2.gz SNMDAKILXXRKQB-AWEZNQCLSA-N 0 0 372.281 3.183 50 30 FGEARN CCSc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000002742359 493817370 /nfs/dbraw/zinc/81/73/70/493817370.db2.gz NCOCILSEVKWKTD-UHFFFAOYSA-N 0 0 357.276 3.422 50 30 FGEARN C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000002870430 493822928 /nfs/dbraw/zinc/82/29/28/493822928.db2.gz OPLVFIAMXPLHEB-UHFFFAOYSA-N 0 0 358.463 3.328 50 30 FGEARN CC(C)COC(=O)Nc1cccc(NCC(=O)NC2(C#N)CCCC2)c1 ZINC000058161758 493827945 /nfs/dbraw/zinc/82/79/45/493827945.db2.gz OVRPCCYKIMPVGF-UHFFFAOYSA-N 0 0 358.442 3.256 50 30 FGEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000003073706 493829908 /nfs/dbraw/zinc/82/99/08/493829908.db2.gz SAKKHSMGSATBOG-LJQANCHMSA-N 0 0 369.417 3.098 50 30 FGEARN CC(C)Oc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 ZINC000003137233 493830678 /nfs/dbraw/zinc/83/06/78/493830678.db2.gz DCTSFCHSIJDBJM-QGZVFWFLSA-N 0 0 367.430 3.456 50 30 FGEARN C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc3ccccc3s2)C1=O ZINC000058185308 493830812 /nfs/dbraw/zinc/83/08/12/493830812.db2.gz BFFMODZOKVMCOE-LJQANCHMSA-N 0 0 362.414 3.135 50 30 FGEARN N#Cc1ccccc1NC(=O)COC(=O)Cc1ccc(Br)cc1 ZINC000003233563 493833555 /nfs/dbraw/zinc/83/35/55/493833555.db2.gz CWVWYZWFHLTKTC-UHFFFAOYSA-N 0 0 373.206 3.045 50 30 FGEARN N#Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 ZINC000003317496 493838193 /nfs/dbraw/zinc/83/81/93/493838193.db2.gz FJYHFDWDJNFEMM-UHFFFAOYSA-N 0 0 365.414 3.282 50 30 FGEARN CCc1ccc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000003902275 493859992 /nfs/dbraw/zinc/85/99/92/493859992.db2.gz XMSDQVQDTIJCKX-FQEVSTJZSA-N 0 0 369.461 3.407 50 30 FGEARN N#Cc1c(OCCN2C(=O)c3ccccc3C2=O)cccc1-n1cccc1 ZINC000004054857 493862267 /nfs/dbraw/zinc/86/22/67/493862267.db2.gz PVTKKOWJHAFRFZ-UHFFFAOYSA-N 0 0 357.369 3.024 50 30 FGEARN N#CC1(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)CCCC1 ZINC000029923238 493867270 /nfs/dbraw/zinc/86/72/70/493867270.db2.gz CRLWICQDZXNHOC-UHFFFAOYSA-N 0 0 367.371 3.290 50 30 FGEARN Cc1cc(C)c(C#N)c(N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 ZINC000004271535 493870717 /nfs/dbraw/zinc/87/07/17/493870717.db2.gz ZUVIQGVPQYCQRJ-UHFFFAOYSA-N 0 0 370.884 3.425 50 30 FGEARN COc1ccc(OC)c([C@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)c1 ZINC000004716088 493889273 /nfs/dbraw/zinc/88/92/73/493889273.db2.gz FUTVSZGSGCRDNN-INIZCTEOSA-N 0 0 372.450 3.039 50 30 FGEARN C=CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)NC1=S ZINC000004742210 493891375 /nfs/dbraw/zinc/89/13/75/493891375.db2.gz XNXWTWBJINITBU-LGMDPLHJSA-N 0 0 364.426 3.292 50 30 FGEARN C[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O ZINC000004898461 493900073 /nfs/dbraw/zinc/90/00/73/493900073.db2.gz MIRJOPJTUDNXKK-AXHUZBHISA-N 0 0 368.418 3.449 50 30 FGEARN Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2Cl)c(=O)c1C#N ZINC000004997883 493907239 /nfs/dbraw/zinc/90/72/39/493907239.db2.gz TZBDKNSJUOYYHW-UHFFFAOYSA-N 0 0 350.205 3.282 50 30 FGEARN CCCCCCC(=O)N(O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005025398 493908712 /nfs/dbraw/zinc/90/87/12/493908712.db2.gz BUBNWQTYHRMCGT-CQSZACIVSA-N 0 0 352.818 3.160 50 30 FGEARN 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CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 ZINC000006907952 263348632 /nfs/dbraw/zinc/34/86/32/263348632.db2.gz AKGIVNZIECPGBG-CQSZACIVSA-N 0 0 357.435 3.348 50 30 FGEARN Cc1nc(C)c(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000010142545 263363583 /nfs/dbraw/zinc/36/35/83/263363583.db2.gz XKBGUPOGUMDBIV-UHFFFAOYSA-N 0 0 361.398 3.003 50 30 FGEARN COC(=O)C(C(=O)CSc1cccc(OC)c1)=C1Nc2ccccc2N1 ZINC000031817369 263392206 /nfs/dbraw/zinc/39/22/06/263392206.db2.gz FXKFUTIQKQZQIG-UHFFFAOYSA-N 0 0 370.430 3.279 50 30 FGEARN COc1cc(C(=O)/C=C2\C(=O)Nc3ccc(C)cc32)cc(OC)c1OC ZINC000032646577 263393499 /nfs/dbraw/zinc/39/34/99/263393499.db2.gz GONQTDBKTSSWTH-UVTDQMKNSA-N 0 0 353.374 3.239 50 30 FGEARN C[C@@H](CCNC(=O)c1cccc(-c2ccccc2C#N)c1)N1CCOCC1 ZINC000426563275 263635349 /nfs/dbraw/zinc/63/53/49/263635349.db2.gz KQJKZABOGFSNBL-KRWDZBQOSA-N 0 0 363.461 3.066 50 30 FGEARN C#C[C@](C)(CC)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000001446099 493795857 /nfs/dbraw/zinc/79/58/57/493795857.db2.gz 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CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccccc3)sc2C1 ZINC000004280344 493871424 /nfs/dbraw/zinc/87/14/24/493871424.db2.gz JLHHGBZSIGGCKS-UHFFFAOYSA-N 0 0 355.419 3.387 50 30 FGEARN CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000004312228 493872583 /nfs/dbraw/zinc/87/25/83/493872583.db2.gz JJBYJJPSWIXASW-LJQANCHMSA-N 0 0 367.449 3.381 50 30 FGEARN C=CCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C(C)=O ZINC000004407438 493876249 /nfs/dbraw/zinc/87/62/49/493876249.db2.gz JDRWUQFGNCTXSM-UHFFFAOYSA-N 0 0 358.413 3.290 50 30 FGEARN COc1cccc(N2C[C@@H](NC(=O)c3cc(Cl)ccc3OC)CC2=O)c1 ZINC000004497100 493878727 /nfs/dbraw/zinc/87/87/27/493878727.db2.gz XKUXNLWATVZLPN-ZDUSSCGKSA-N 0 0 374.824 3.467 50 30 FGEARN N#Cc1ccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 ZINC000004583447 493883698 /nfs/dbraw/zinc/88/36/98/493883698.db2.gz VPSBQQKBEIFAPY-UHFFFAOYSA-N 0 0 366.421 3.269 50 30 FGEARN CCOc1cc(C=Nc2nc[nH]n2)ccc1OCCOc1ccccc1 ZINC000004673036 493885585 /nfs/dbraw/zinc/88/55/85/493885585.db2.gz 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C=CCOc1ccccc1CN1c2ccc(C)cc2[C@](O)(CC(C)=O)C1=O ZINC000004987879 493905968 /nfs/dbraw/zinc/90/59/68/493905968.db2.gz FMODDTRRFLAJTN-JOCHJYFZSA-N 0 0 365.429 3.273 50 30 FGEARN CCOC(=O)/C(=N/Nc1ccccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000005158086 493916569 /nfs/dbraw/zinc/91/65/69/493916569.db2.gz RJTIWYLQUIUOJA-UZYVYHOESA-N 0 0 368.393 3.336 50 30 FGEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C)cc2)cc1 ZINC000005409114 493928483 /nfs/dbraw/zinc/92/84/83/493928483.db2.gz VXVTYLYYFULURX-KXBFYZLASA-N 0 0 365.429 3.263 50 30 FGEARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(C#N)cc2)NC(=O)N1 ZINC000005417051 493929901 /nfs/dbraw/zinc/92/99/01/493929901.db2.gz TUPSCYYCKPGQQH-QGZVFWFLSA-N 0 0 366.808 3.478 50 30 FGEARN COc1ccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005669025 493939185 /nfs/dbraw/zinc/93/91/85/493939185.db2.gz BMWBLUFEXOWLAO-KRWDZBQOSA-N 0 0 368.345 3.092 50 30 FGEARN CCOC(=O)c1ccn(CSc2nc(C(F)(F)F)cc(C)c2C#N)n1 ZINC000006392709 493962586 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N#Cc1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000006889435 493985299 /nfs/dbraw/zinc/98/52/99/493985299.db2.gz KCEBYTCMMDVGJW-UHFFFAOYSA-N 0 0 370.792 3.356 50 30 FGEARN Cn1c2ccccc2nc1SCC(=O)N(CCC#N)Cc1ccco1 ZINC000007154008 494004866 /nfs/dbraw/zinc/00/48/66/494004866.db2.gz FRTUPDCOQKDIEK-UHFFFAOYSA-N 0 0 354.435 3.201 50 30 FGEARN CCN1C[C@H](CN(C)c2ccc(C#N)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000032806413 494018034 /nfs/dbraw/zinc/01/80/34/494018034.db2.gz WWEUAZONLKFRPV-HNNXBMFYSA-N 0 0 352.394 3.190 50 30 FGEARN N#CC1(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)CCCCCC1 ZINC000032906653 494026451 /nfs/dbraw/zinc/02/64/51/494026451.db2.gz RSQQZJYYAGWKSK-UHFFFAOYSA-N 0 0 374.916 3.195 50 30 FGEARN CN(CC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)c1ccco1 ZINC000032907496 494026707 /nfs/dbraw/zinc/02/67/07/494026707.db2.gz MCYAICMVKJXHRQ-UHFFFAOYSA-N 0 0 358.397 3.390 50 30 FGEARN N#Cc1c(NC(=O)COC(=O)/C=C/c2cccs2)sc2c1CCC2 ZINC000007550579 494027539 /nfs/dbraw/zinc/02/75/39/494027539.db2.gz 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