smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000329286227 1086859850 /nfs/dbraw/zinc/85/98/50/1086859850.db2.gz ORHDKCVZDRNTLK-PMACEKPBSA-N 0 0 368.456 4.246 40 30 FIEBRN O=c1c(C=[NH+]C2CC2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000100437549 1105054218 /nfs/dbraw/zinc/05/42/18/1105054218.db2.gz PBGNEYOLUCXGMF-CIAFOILYSA-N 0 0 360.442 4.024 40 30 FIEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1sccc1C ZINC000013635065 203857217 /nfs/dbraw/zinc/85/72/17/203857217.db2.gz VXYFMNKBTFSIIY-KRWDZBQOSA-N 0 0 365.458 4.424 40 30 FIEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCC[C@H](C)C3)nc2c1 ZINC000001354344 204000867 /nfs/dbraw/zinc/00/08/67/204000867.db2.gz DZFUOLLFRDTIEF-ZDUSSCGKSA-N 0 0 353.491 4.074 40 30 FIEBRN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)c1 ZINC000001431194 204007461 /nfs/dbraw/zinc/00/74/61/204007461.db2.gz DCTKZDDAXOIRCS-LJQANCHMSA-N 0 0 359.381 4.371 40 30 FIEBRN CCOc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000001478065 204010034 /nfs/dbraw/zinc/01/00/34/204010034.db2.gz CJJXUEGDBWHUQU-ODLFYWEKSA-N 0 0 358.854 4.168 40 30 FIEBRN COc1ccc(/C=N\c2ccc(I)cc2)cc1OC ZINC000002162170 204027515 /nfs/dbraw/zinc/02/75/15/204027515.db2.gz SFKGBUCNJMWUOX-YVLHZVERSA-N 0 0 367.186 4.059 40 30 FIEBRN O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCCCCC1 ZINC000003067980 204076989 /nfs/dbraw/zinc/07/69/89/204076989.db2.gz OXUHNFBXJHWJLW-ATJXCDBQSA-N 0 0 351.425 4.127 40 30 FIEBRN COCCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1ccccc1 ZINC000002777223 204057644 /nfs/dbraw/zinc/05/76/44/204057644.db2.gz GGDAMOAVXMTWGB-BOXNHUFISA-N 0 0 358.488 4.307 40 30 FIEBRN Cc1nc2sc3c(c2c([N-][NH+]=Cc2ccc(N(C)C)cc2)n1)CCCC3 ZINC000003897652 204114532 /nfs/dbraw/zinc/11/45/32/204114532.db2.gz FVHYKTZEABNYDQ-CIAFOILYSA-N 0 0 365.506 4.391 40 30 FIEBRN C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O ZINC000005376512 204206405 /nfs/dbraw/zinc/20/64/05/204206405.db2.gz XZNJETPCWDKAQP-ATVHPVEESA-N 0 0 354.406 4.282 40 30 FIEBRN C[C@@H](/C(=N/N(C)C)c1ccccc1)[C@H](C)/C(=N\N(C)C)c1ccccc1 ZINC000005411997 204208872 /nfs/dbraw/zinc/20/88/72/204208872.db2.gz ZDFMBBGNNCSRDC-DNRZQDIOSA-N 0 0 350.510 4.190 40 30 FIEBRN COc1cc(C=NOC(=O)Nc2cccc(C(F)(F)F)c2)ccc1O ZINC000005720218 204221588 /nfs/dbraw/zinc/22/15/88/204221588.db2.gz JYHDTFDWCUYKBP-AWQFTUOYSA-N 0 0 354.284 4.002 40 30 FIEBRN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(C)cc1 ZINC000005814853 204226360 /nfs/dbraw/zinc/22/63/60/204226360.db2.gz LOFDWLBWXYICSC-OWAXBLPRSA-N 0 0 350.447 4.098 40 30 FIEBRN CC(=O)c1nn(-c2ccccc2Cl)/c(=N/N=C/c2ccc(C)cc2)s1 ZINC000006190040 204240609 /nfs/dbraw/zinc/24/06/09/204240609.db2.gz LMMUQWMCNIJJBT-HVFCYKRDSA-N 0 0 370.865 4.033 40 30 FIEBRN COc1ccc(OC)c(NC(=S)N/N=C/c2cccc3ccccc23)c1 ZINC000006403947 204246956 /nfs/dbraw/zinc/24/69/56/204246956.db2.gz IKHYLZIWLCMACL-FYJGNVAPSA-N 0 0 365.458 4.178 40 30 FIEBRN O=[N+]([O-])c1ccc(N=NC(c2ccsc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006514091 204252184 /nfs/dbraw/zinc/25/21/84/204252184.db2.gz VFCDDSWIIMVYFL-ZPHPHTNESA-N 0 0 368.374 4.429 40 30 FIEBRN Cc1sc2ncnc(NN=Cc3c(F)c(F)c(F)c(F)c3F)c2c1C ZINC000006685256 204260525 /nfs/dbraw/zinc/26/05/25/204260525.db2.gz CZWVUQXIZGMNGU-LTGYVZTRSA-N 0 0 372.322 4.450 40 30 FIEBRN OC(C=C(NN1CCCCC1)c1cccs1)(C(F)(F)F)C(F)(F)F ZINC000008665073 204337149 /nfs/dbraw/zinc/33/71/49/204337149.db2.gz UKDFNEMVOUVNKY-FBHDLOMBSA-N 0 0 374.350 4.184 40 30 FIEBRN CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(Cl)cc1 ZINC000008642767 204338068 /nfs/dbraw/zinc/33/80/68/204338068.db2.gz OAMWNCSRZPENCH-VUDPKCRPSA-N 0 0 373.821 4.482 40 30 FIEBRN C[C@H](NP1(=O)OCC(C)(/N=C/c2ccccc2)CO1)c1ccccc1 ZINC000018066481 204658683 /nfs/dbraw/zinc/65/86/83/204658683.db2.gz WIHUNSNLHKQZMN-FRRYKVQGSA-N 0 0 358.378 4.370 40 30 FIEBRN Cc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000018039896 204659793 /nfs/dbraw/zinc/65/97/93/204659793.db2.gz ZDMNNDKBTIEBSP-ZHZULCJRSA-N 0 0 368.271 4.190 40 30 FIEBRN N=C(NN=Cc1cccc2ccccc12)NN=Cc1cccc2ccccc12 ZINC000104392471 206000884 /nfs/dbraw/zinc/00/08/84/206000884.db2.gz DSIMGAKNHDMJLZ-YXHOTNNGSA-N 0 0 365.440 4.475 40 30 FIEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C/C=N/O ZINC000118924052 206103037 /nfs/dbraw/zinc/10/30/37/206103037.db2.gz WSHRNOHWOVLOQJ-MWFOSSATSA-N 0 0 359.510 4.346 40 30 FIEBRN C/C(=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000118917627 206104163 /nfs/dbraw/zinc/10/41/63/206104163.db2.gz DAJBMKKLLJTPAS-GTLRALGGSA-N 0 0 360.498 4.217 40 30 FIEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1 ZINC000225919633 206120004 /nfs/dbraw/zinc/12/00/04/206120004.db2.gz BQPNRWRYIJKPGI-UHFFFAOYSA-N 0 0 371.408 4.081 40 30 FIEBRN Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCC1 ZINC000000871486 206138673 /nfs/dbraw/zinc/13/86/73/206138673.db2.gz SQWGQZUFYHJCOC-UHFFFAOYSA-N 0 0 373.865 4.070 40 30 FIEBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000902744 206139427 /nfs/dbraw/zinc/13/94/27/206139427.db2.gz TYOIYWQRCUKCCS-IBGZPJMESA-N 0 0 371.452 4.381 40 30 FIEBRN Cc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2c1 ZINC000000906822 206139620 /nfs/dbraw/zinc/13/96/20/206139620.db2.gz JGZDDSGTUCZYHA-PBHICJAKSA-N 0 0 353.491 4.202 40 30 FIEBRN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl ZINC000000866199 206136133 /nfs/dbraw/zinc/13/61/33/206136133.db2.gz PPTURXCGJFFRQQ-UHFFFAOYSA-N 0 0 360.866 4.478 40 30 FIEBRN COc1ccc2nc(SCC(=O)Nc3ccccc3C)c(C#N)cc2c1 ZINC000000862110 206136496 /nfs/dbraw/zinc/13/64/96/206136496.db2.gz ZKKHJKLVDRCPSC-UHFFFAOYSA-N 0 0 363.442 4.154 40 30 FIEBRN Cc1csc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)n1 ZINC000001354285 206148977 /nfs/dbraw/zinc/14/89/77/206148977.db2.gz AKOOZOPMHOONSF-UHFFFAOYSA-N 0 0 368.487 4.219 40 30 FIEBRN CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004451179 206178046 /nfs/dbraw/zinc/17/80/46/206178046.db2.gz CWLFGOPSWCIDPP-QHAWAJNXSA-N 0 0 373.843 4.330 40 30 FIEBRN C=CCOc1c(Cl)cc([C@H]2NC(=O)c3ccccc3O2)cc1OCC ZINC000005001217 206187267 /nfs/dbraw/zinc/18/72/67/206187267.db2.gz KSQAEGRHAFKKEG-IBGZPJMESA-N 0 0 359.809 4.125 40 30 FIEBRN COC(=O)c1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C#N)c1C ZINC000005015890 206188792 /nfs/dbraw/zinc/18/87/92/206188792.db2.gz BQLLMIFIJUYDPP-UHFFFAOYSA-N 0 0 372.490 4.260 40 30 FIEBRN CSc1nc2c(-c3ccccc3)c(Cc3ccccc3)nn2c(N)c1C#N ZINC000215881682 206351914 /nfs/dbraw/zinc/35/19/14/206351914.db2.gz LMRAQRJAOJHABE-UHFFFAOYSA-N 0 0 371.469 4.163 40 30 FIEBRN COc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1 ZINC000225883491 206504713 /nfs/dbraw/zinc/50/47/13/206504713.db2.gz QNRIMKJFSMECGW-UHFFFAOYSA-N 0 0 353.809 4.445 40 30 FIEBRN C#CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O ZINC000208307280 533144548 /nfs/dbraw/zinc/14/45/48/533144548.db2.gz SOADKGONSOIFRM-IIMQCXAKSA-N 0 0 368.502 4.468 40 30 FIEBRN CCN1c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cn3)cc2C(C)=CC1(C)C ZINC000208509402 132268978 /nfs/dbraw/zinc/26/89/78/132268978.db2.gz DLJINFYQHGVWBB-WSDLNYQXSA-N 0 0 365.437 4.458 40 30 FIEBRN COc1ccc(NC(=O)CCC2=CC(=O)C[C@H](c3ccccc3)O2)cc1 ZINC000000644792 263141436 /nfs/dbraw/zinc/14/14/36/263141436.db2.gz NMUIFOZCWXEZME-HXUWFJFHSA-N 0 0 351.402 4.029 40 30 FIEBRN C#CCOc1ccc(OC)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009195044 263360064 /nfs/dbraw/zinc/36/00/64/263360064.db2.gz QLUMIQJQOYDNRK-SRZZPIQSSA-N 0 0 363.244 4.138 40 30 FIEBRN COc1ccccc1CN/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000020761848 263381593 /nfs/dbraw/zinc/38/15/93/263381593.db2.gz MLKUUWIYFHOLHJ-LPYMAVHISA-N 0 0 365.389 4.296 40 30 FIEBRN COC(=O)c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c1 ZINC000408727740 263492112 /nfs/dbraw/zinc/49/21/12/263492112.db2.gz XHYCELKBYNVTFE-CIAFOILYSA-N 0 0 360.373 4.056 40 30 FIEBRN CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408947176 263508942 /nfs/dbraw/zinc/50/89/42/263508942.db2.gz ZSEKOORXFHBSMX-CXUHLZMHSA-N 0 0 372.764 4.143 40 30 FIEBRN O=[N+]([O-])c1ccc(/N=C\c2cc(Br)c(Br)o2)cc1 ZINC000408951684 263509013 /nfs/dbraw/zinc/50/90/13/263509013.db2.gz JPWSJYXZUSNWCO-NSIKDUERSA-N 0 0 373.988 4.463 40 30 FIEBRN C#CCOC(=O)c1ccc(OC(=O)c2cccc3ccccc32)c(OCC)c1 ZINC000226306050 518295556 /nfs/dbraw/zinc/29/55/56/518295556.db2.gz ZFWRAHZPUIIQDF-UHFFFAOYSA-N 0 0 374.392 4.248 40 30 FIEBRN C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 ZINC000224983240 518802694 /nfs/dbraw/zinc/80/26/94/518802694.db2.gz NPPFLEKRVNSTEX-UHFFFAOYSA-N 0 0 363.504 4.107 40 30 FIEBRN C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225097045 518808851 /nfs/dbraw/zinc/80/88/51/518808851.db2.gz HCKKMYQHPRPGBY-UHFFFAOYSA-N 0 0 363.454 4.339 40 30 FIEBRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224635929 518810642 /nfs/dbraw/zinc/81/06/42/518810642.db2.gz JZRHACNCDNUBAL-UHFFFAOYSA-N 0 0 351.855 4.038 40 30 FIEBRN C=CCN(c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224929816 518815181 /nfs/dbraw/zinc/81/51/81/518815181.db2.gz CLTPKXHFVZVRMQ-UHFFFAOYSA-N 0 0 372.273 4.383 40 30 FIEBRN C=CCNC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 ZINC000224166054 518935948 /nfs/dbraw/zinc/93/59/48/518935948.db2.gz CVBJMZUOUFUUOZ-UHFFFAOYSA-N 0 0 353.462 4.488 40 30 FIEBRN C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000015609196 518940270 /nfs/dbraw/zinc/94/02/70/518940270.db2.gz IEHIHIFIBFFZCL-UHFFFAOYSA-N 0 0 370.452 4.451 40 30 FIEBRN C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C ZINC000044902306 518941476 /nfs/dbraw/zinc/94/14/76/518941476.db2.gz XGYXNWCQBVVUML-LJQANCHMSA-N 0 0 366.461 4.015 40 30 FIEBRN C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224721547 519037202 /nfs/dbraw/zinc/03/72/02/519037202.db2.gz WLTPENDOFQRTAN-UHFFFAOYSA-N 0 0 363.866 4.286 40 30 FIEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000224663012 519078629 /nfs/dbraw/zinc/07/86/29/519078629.db2.gz UTKKFJDAJZAMNW-CQSZACIVSA-N 0 0 357.475 4.473 40 30 FIEBRN C=CCc1cc(C(=O)NCCOc2ccccc2C(C)C)ccc1OC ZINC000223775413 519128484 /nfs/dbraw/zinc/12/84/84/519128484.db2.gz JLMXNCTZVIQUHD-UHFFFAOYSA-N 0 0 353.462 4.356 40 30 FIEBRN CC(C)c1ccc(NN=C2c3cc(F)ccc3N(C3CSC3)C2=O)cc1 ZINC000223754239 519836644 /nfs/dbraw/zinc/83/66/44/519836644.db2.gz SHMLLVBCTBWTTI-NMWGTECJSA-N 0 0 369.465 4.227 40 30 FIEBRN CCc1ccc(-c2csc(N=NCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004957142 523857006 /nfs/dbraw/zinc/85/70/06/523857006.db2.gz NYDODSNNHAZPMX-YBFXNURJSA-N 0 0 352.419 4.149 40 30 FIEBRN COc1ccc(CN/N=C/c2cc(Cl)ccc2OC(C)C)cc1OC ZINC000020196311 524017692 /nfs/dbraw/zinc/01/76/92/524017692.db2.gz GEOHSNAWGAWFIC-WSDLNYQXSA-N 0 0 362.857 4.268 40 30 FIEBRN S=C(NCc1ccccc1)N/N=C/c1ccc(Sc2ccccc2)o1 ZINC000000980697 526384105 /nfs/dbraw/zinc/38/41/05/526384105.db2.gz KAFYRBQKOZKKRY-KGENOOAVSA-N 0 0 367.499 4.429 40 30 FIEBRN N#CCc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 ZINC000225412281 526484052 /nfs/dbraw/zinc/48/40/52/526484052.db2.gz SZMZGEYKCCGFRD-UHFFFAOYSA-N 0 0 359.495 4.112 40 30 FIEBRN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1/C=C/c1ccccc1 ZINC000096305898 570480488 /nfs/dbraw/zinc/48/04/88/570480488.db2.gz WKIANXBSGHEOBI-OFAQMXQXSA-N 0 0 351.446 4.009 40 30 FIEBRN CCOc1cc(/C=N/O)cc(Br)c1OCc1ccccc1 ZINC000100986275 570509680 /nfs/dbraw/zinc/50/96/80/570509680.db2.gz PENIMCWBIPZEOL-VCHYOVAHSA-N 0 0 350.212 4.235 40 30 FIEBRN COc1ccc(/N=C2/c3cc(OC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000101764667 570513235 /nfs/dbraw/zinc/51/32/35/570513235.db2.gz GVHFQHAYRAHYQW-NTBIESDESA-N 0 0 364.445 4.457 40 30 FIEBRN CC(C)[C@@H]1CC[C@H](C)C2=C1N[C@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N ZINC000102682940 570516493 /nfs/dbraw/zinc/51/64/93/570516493.db2.gz CNUAJBSOIJZAHJ-DJPFJPOOSA-N 0 0 369.472 4.354 40 30 FIEBRN N#Cc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 ZINC000098210932 570538655 /nfs/dbraw/zinc/53/86/55/570538655.db2.gz YDLVCLCDRVUUAX-MRVPVSSYSA-N 0 0 364.039 4.124 40 30 FIEBRN 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Cc1cc(C=NN2C(=S)N=NC2C)c(C)n1-c1ccc2ccccc2c1 ZINC000408874513 263502870 /nfs/dbraw/zinc/50/28/70/263502870.db2.gz CXLNQDYIBVVVMB-CIAFOILYSA-N 0 0 361.474 4.318 40 30 FIEBRN CCN1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1ccc(C)cc1 ZINC000408909148 263506457 /nfs/dbraw/zinc/50/64/57/263506457.db2.gz GOEQCOLXNORURZ-MVLGTPAKSA-N 0 0 354.431 4.030 40 30 FIEBRN C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409087843 263524326 /nfs/dbraw/zinc/52/43/26/263524326.db2.gz HYGNTKULBMOQPO-XNTDXEJSSA-N 0 0 356.359 4.077 40 30 FIEBRN CC[C@H](C)n1c(C)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21 ZINC000409344849 263550377 /nfs/dbraw/zinc/55/03/77/263550377.db2.gz HQDICBGGXXGXEV-AWEZNQCLSA-N 0 0 374.444 4.218 40 30 FIEBRN C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225086289 518803731 /nfs/dbraw/zinc/80/37/31/518803731.db2.gz HTIWDUTWFMYFNS-UHFFFAOYSA-N 0 0 374.462 4.210 40 30 FIEBRN C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224859781 518808451 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353.300 4.212 40 30 FIEBRN Cc1cc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2cc1C ZINC000034791474 571167263 /nfs/dbraw/zinc/16/72/63/571167263.db2.gz VXRGKQYHWDCYRR-UHFFFAOYSA-N 0 0 353.491 4.264 40 30 FIEBRN C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCCC)c1 ZINC000219783162 571174948 /nfs/dbraw/zinc/17/49/48/571174948.db2.gz TYOJKYIZPZRFCI-UHFFFAOYSA-N 0 0 352.434 4.034 40 30 FIEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000219782964 571175002 /nfs/dbraw/zinc/17/50/02/571175002.db2.gz XMYMGLWMRHIJEE-UHFFFAOYSA-N 0 0 359.809 4.334 40 30 FIEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)s1 ZINC000222745209 571209641 /nfs/dbraw/zinc/20/96/41/571209641.db2.gz KXUBWQGROKSEIB-CYBMUJFWSA-N 0 0 363.508 4.147 40 30 FIEBRN N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000214094269 571292597 /nfs/dbraw/zinc/29/25/97/571292597.db2.gz ARHJOTAJDAJBHA-CXUHLZMHSA-N 0 0 354.818 4.448 40 30 FIEBRN C#CCOc1ccc(C[C@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000006295382 571295708 /nfs/dbraw/zinc/29/57/08/571295708.db2.gz NJTFCZLQANQFQA-QGZVFWFLSA-N 0 0 371.845 4.163 40 30 FIEBRN N#Cc1ccccc1CSc1nnc(COc2ccccc2Cl)o1 ZINC000019124144 571303828 /nfs/dbraw/zinc/30/38/28/571303828.db2.gz KEPKPDMJXBODJH-UHFFFAOYSA-N 0 0 357.822 4.466 40 30 FIEBRN CCNC(=S)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000107854324 571310844 /nfs/dbraw/zinc/31/08/44/571310844.db2.gz APYDNIANRZUHER-OEAKJJBVSA-N 0 0 363.486 4.237 40 30 FIEBRN N#Cc1c(N)nc2c(c1-c1ccccc1OCc1ccccc1)CCCC2 ZINC000408978338 571319461 /nfs/dbraw/zinc/31/94/61/571319461.db2.gz IHWKVKLHPXDIFZ-UHFFFAOYSA-N 0 0 355.441 4.491 40 30 FIEBRN CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000253636802 571320130 /nfs/dbraw/zinc/32/01/30/571320130.db2.gz QTTRZHGPGKRAFB-SVHXUWJPSA-N 0 0 370.533 4.497 40 30 world FIEBRN Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000012462443 571322484 /nfs/dbraw/zinc/32/24/84/571322484.db2.gz LKLOXDQJBZGKCV-YVLHZVERSA-N 0 0 350.374 4.371 40 30 FIEBRN COc1ccc(-c2ccc(C#N)c3sc(-c4ccccc4)c([O-])[n+]32)cc1 ZINC000019074816 571323436 /nfs/dbraw/zinc/32/34/36/571323436.db2.gz YEJRRYOYZRZYEG-UHFFFAOYSA-O 0 0 359.430 4.407 40 30 FIEBRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 ZINC000225824017 571338474 /nfs/dbraw/zinc/33/84/74/571338474.db2.gz TUTHUCMJZXMQBV-UHFFFAOYSA-N 0 0 374.481 4.290 40 30 FIEBRN CC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 ZINC000001087878 203805023 /nfs/dbraw/zinc/80/50/23/203805023.db2.gz HPQYJAGICBURBM-QAPCUYQASA-N 0 0 359.219 4.387 40 30 FIEBRN C=CCOc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000219640534 203878760 /nfs/dbraw/zinc/87/87/60/203878760.db2.gz RRPHZBZFJUAMBF-UHFFFAOYSA-N 0 0 353.462 4.401 40 30 FIEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)ccc1O ZINC000001413705 204005187 /nfs/dbraw/zinc/00/51/87/204005187.db2.gz GMUDNMLSMMWWAU-PDGQHHTCSA-N 0 0 368.458 4.245 40 30 FIEBRN CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000001677367 204016157 /nfs/dbraw/zinc/01/61/57/204016157.db2.gz HHOPZZNLTLSBAF-JJQUPVKYSA-N 0 0 358.478 4.019 40 30 FIEBRN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000001959652 204023879 /nfs/dbraw/zinc/02/38/79/204023879.db2.gz CGYKQJLZUKNWEL-JTQLQIEISA-N 0 0 355.419 4.214 40 30 FIEBRN COc1ccc(C2N=NC(=S)N2N=CC(C)=Cc2ccccc2)cc1 ZINC000004680172 204154540 /nfs/dbraw/zinc/15/45/40/204154540.db2.gz KIHBGSRERCPUDK-YFWPCBFPSA-N 0 0 350.447 4.180 40 30 FIEBRN CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000004683793 204155446 /nfs/dbraw/zinc/15/54/46/204155446.db2.gz NJCJHGJZWVIYPY-ACXQXYJUSA-N 0 0 370.489 4.043 40 30 FIEBRN CCOc1ccc(/N=C2\NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 ZINC000005374499 204205964 /nfs/dbraw/zinc/20/59/64/204205964.db2.gz NOAUMSWGIQNSFR-WQRHYEAKSA-N 0 0 363.442 4.458 40 30 FIEBRN CCc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1 ZINC000005551362 204215104 /nfs/dbraw/zinc/21/51/04/204215104.db2.gz XGUFCMVGFIZMNP-WJDWOHSUSA-N 0 0 353.403 4.049 40 30 FIEBRN CC/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CC ZINC000005552151 204215116 /nfs/dbraw/zinc/21/51/16/204215116.db2.gz LMEMBNMJLSEWGT-BDYZYUDZSA-N 0 0 371.418 4.167 40 30 FIEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@H]1Sc1nnnn1-c1ccccc1 ZINC000005604630 204216877 /nfs/dbraw/zinc/21/68/77/204216877.db2.gz TWXXYOHCSZHWHQ-DREIWQHMSA-N 0 0 369.494 4.420 40 30 FIEBRN O=C1C=C(O/C=C\C(C(F)(F)F)C(F)(F)F)c2ccccc2C1=O ZINC000004972298 204182297 /nfs/dbraw/zinc/18/22/97/204182297.db2.gz KGFWBIDIZPBMFG-WAYWQWQTSA-N 0 0 350.214 4.064 40 30 FIEBRN Cc1nc(-c2cccnc2)sc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000005808933 204225404 /nfs/dbraw/zinc/22/54/04/204225404.db2.gz NIZBFYLGJDSPQW-FPLPWBNLSA-N 0 0 351.387 4.318 40 30 FIEBRN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3C3(CCCCC3)C12 ZINC000006225763 204242265 /nfs/dbraw/zinc/24/22/65/204242265.db2.gz OPQAOOYBOHVLKC-CQSZACIVSA-N 0 0 368.868 4.417 40 30 FIEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)cc1 ZINC000007275641 204293061 /nfs/dbraw/zinc/29/30/61/204293061.db2.gz DZBIPZDPSGPJBO-AQTBWJFISA-N 0 0 366.442 4.152 40 30 FIEBRN CN1c2ccccc2C(C)(C)/C1=C/C=N/NC(=S)Nc1ccc(F)cc1 ZINC000007780262 204306651 /nfs/dbraw/zinc/30/66/51/204306651.db2.gz ZMWPEKBJUXXUAY-MYECPZRPSA-N 0 0 368.481 4.409 40 30 FIEBRN O=C(N1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1)C(F)(F)F ZINC000018066064 204659072 /nfs/dbraw/zinc/65/90/72/204659072.db2.gz QAGJOBCHMKIKSL-MJZABRMRSA-N 0 0 371.358 4.127 40 30 FIEBRN C=CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc21 ZINC000073641905 205032426 /nfs/dbraw/zinc/03/24/26/205032426.db2.gz YBXPAMARXKUJQS-UHFFFAOYSA-N 0 0 358.737 4.399 40 30 FIEBRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCCO2 ZINC000101763758 205966582 /nfs/dbraw/zinc/96/65/82/205966582.db2.gz SIFUSBAHGPJGGT-GFMRDNFCSA-N 0 0 374.440 4.429 40 30 FIEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C ZINC000118929585 206103253 /nfs/dbraw/zinc/10/32/53/206103253.db2.gz NVFLFMSIUUPFBG-WPFRTOPKSA-N 0 0 358.522 4.330 40 30 FIEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C/C=N\O ZINC000118924050 206104232 /nfs/dbraw/zinc/10/42/32/206104232.db2.gz WSHRNOHWOVLOQJ-HIVGMXHPSA-N 0 0 359.510 4.346 40 30 FIEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1 ZINC000001354328 206147894 /nfs/dbraw/zinc/14/78/94/206147894.db2.gz XYRMPPYBNAEJRX-UHFFFAOYSA-N 0 0 353.491 4.264 40 30 FIEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc2c1 ZINC000001354332 206148801 /nfs/dbraw/zinc/14/88/01/206148801.db2.gz VQUSLESEEWAOPD-UHFFFAOYSA-N 0 0 373.481 4.405 40 30 FIEBRN Cc1cc(OCc2nnc(SCC#N)n2-c2ccccc2)ccc1Cl ZINC000004125121 206168431 /nfs/dbraw/zinc/16/84/31/206168431.db2.gz PHTMPSPICAHUIW-UHFFFAOYSA-N 0 0 370.865 4.424 40 30 FIEBRN C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(CC)cc21 ZINC000004895553 206182113 /nfs/dbraw/zinc/18/21/13/206182113.db2.gz ZLVNVTZKCFWRFD-UHFFFAOYSA-N 0 0 363.486 4.254 40 30 FIEBRN Cc1cc(N=NCc2cccnc2)nc(-c2ccc(Br)cc2)n1 ZINC000004713103 206182434 /nfs/dbraw/zinc/18/24/34/206182434.db2.gz HIZSUEVKCZQVNC-RGVLZGJSSA-N 0 0 368.238 4.056 40 30 FIEBRN COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3C)NC2=O)ccc1O ZINC000005006483 206186282 /nfs/dbraw/zinc/18/62/82/206186282.db2.gz DFPLVNXPCQTIQP-SXGWCWSVSA-N 0 0 374.849 4.254 40 30 FIEBRN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000005444131 206194342 /nfs/dbraw/zinc/19/43/42/206194342.db2.gz VJPAGYVEHVYYGO-GOSISDBHSA-N 0 0 353.393 4.060 40 30 FIEBRN Cc1ccc2nc(SCC(=O)N3CCc4ccccc4C3)c(C#N)cc2c1 ZINC000004848893 206180415 /nfs/dbraw/zinc/18/04/15/206180415.db2.gz BBFOFINETCRWIM-UHFFFAOYSA-N 0 0 373.481 4.092 40 30 FIEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@@H](C)C3)nc2c1C ZINC000004849071 206180597 /nfs/dbraw/zinc/18/05/97/206180597.db2.gz PWEXXYNRJJTDDN-CYBMUJFWSA-N 0 0 353.491 4.074 40 30 FIEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1C ZINC000004849072 206181451 /nfs/dbraw/zinc/18/14/51/206181451.db2.gz RWYKGPYSUUDKJK-UHFFFAOYSA-N 0 0 353.491 4.074 40 30 FIEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1O ZINC000001229204 206227115 /nfs/dbraw/zinc/22/71/15/206227115.db2.gz YBPOQKLRIXILCV-RQZCQDPDSA-N 0 0 367.186 4.064 40 30 FIEBRN Cc1nn(C)c(C)c1/N=C/c1c(O)ccc2cc(Br)ccc21 ZINC000001095833 206227135 /nfs/dbraw/zinc/22/71/35/206227135.db2.gz NJEPEOXMUWBMBA-DJKKODMXSA-N 0 0 358.239 4.409 40 30 FIEBRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1 ZINC000008277618 206245951 /nfs/dbraw/zinc/24/59/51/206245951.db2.gz YGWXAOZGHNJXJG-LZYBPNLTSA-N 0 0 372.833 4.269 40 30 FIEBRN C[C@H]1CC(=O)C2=C(C1)Oc1c3ccccc3[nH]c(=O)c1[C@H]2c1ccccc1 ZINC000009926830 206248534 /nfs/dbraw/zinc/24/85/34/206248534.db2.gz VUITYKVCLXDPEI-DJJJIMSYSA-N 0 0 357.409 4.306 40 30 FIEBRN COCC/N=C1/Sc2nc3ccc(C)cc3cc2CN1Cc1ccco1 ZINC000013150757 206301407 /nfs/dbraw/zinc/30/14/07/206301407.db2.gz FSHIQIPTJVIEKB-QZQOTICOSA-N 0 0 367.474 4.247 40 30 FIEBRN CC(=O)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C#N ZINC000225679291 206492606 /nfs/dbraw/zinc/49/26/06/206492606.db2.gz RKTPJICADMPVKS-UHFFFAOYSA-N 0 0 362.429 4.243 40 30 FIEBRN N#Cc1c(N)n(Cc2ccc(Cl)cc2)nc1OCc1ccccc1Cl ZINC000225840479 206502106 /nfs/dbraw/zinc/50/21/06/206502106.db2.gz MTQCUFUMLOZLOE-UHFFFAOYSA-N 0 0 373.243 4.271 40 30 FIEBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1Br)C/C2=N\O ZINC000096236545 206540958 /nfs/dbraw/zinc/54/09/58/206540958.db2.gz NOVLIIYOFSFRKJ-CHXORGPNSA-N 0 0 365.271 4.434 40 30 FIEBRN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004626440 263335217 /nfs/dbraw/zinc/33/52/17/263335217.db2.gz PVOUQHSYYODXDA-KBXCAEBGSA-N 0 0 374.437 4.096 40 30 FIEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)cc(OC)c1OC ZINC000023099151 263386972 /nfs/dbraw/zinc/38/69/72/263386972.db2.gz FOHBQTBCTFEPQY-RGVLZGJSSA-N 0 0 369.446 4.282 40 30 FIEBRN COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CC#N)C=C2C)cc1 ZINC000030882494 263391070 /nfs/dbraw/zinc/39/10/70/263391070.db2.gz FSWAGLIKVZLHNV-DYXWJJEUSA-N 0 0 354.494 4.470 40 30 biogenic,in-vitro FIEBRN Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)c(N(C)C)o1 ZINC000059104316 263416262 /nfs/dbraw/zinc/41/62/62/263416262.db2.gz YNVCPLNBJAGYPE-LZYBPNLTSA-N 0 0 352.188 4.075 40 30 FIEBRN CCOC(=O)c1cccc(NC(=CC(=O)c2ccc(OC)cc2)CC)c1 ZINC000059489057 263421097 /nfs/dbraw/zinc/42/10/97/263421097.db2.gz VMHYCGFQLLHUSO-SAPNQHFASA-N 0 0 353.418 4.461 40 30 FIEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000408560443 263471650 /nfs/dbraw/zinc/47/16/50/263471650.db2.gz HZCHLYJNULLRJX-UHFFFAOYSA-N 0 0 372.538 4.463 40 30 FIEBRN COc1cc(Cl)c(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OC ZINC000408886422 263503947 /nfs/dbraw/zinc/50/39/47/263503947.db2.gz HARQEBPHEXGFTJ-SXGWCWSVSA-N 0 0 374.849 4.249 40 30 FIEBRN C#CCn1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21 ZINC000408900431 263505523 /nfs/dbraw/zinc/50/55/23/263505523.db2.gz YKFOKPXKHBJZDL-UHFFFAOYSA-N 0 0 371.436 4.403 40 30 FIEBRN C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)ccc1C ZINC000044902304 518941464 /nfs/dbraw/zinc/94/14/64/518941464.db2.gz XGYXNWCQBVVUML-IBGZPJMESA-N 0 0 366.461 4.015 40 30 FIEBRN C=CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 ZINC000038755044 519057073 /nfs/dbraw/zinc/05/70/73/519057073.db2.gz HVPSKUOAWAPESR-AWEZNQCLSA-N 0 0 373.474 4.388 40 30 FIEBRN C=CCOc1cccc(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)c1 ZINC000225268024 519057577 /nfs/dbraw/zinc/05/75/77/519057577.db2.gz GGUFPNFPISKHTM-HNNXBMFYSA-N 0 0 372.490 4.014 40 30 FIEBRN C=CCOc1cccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1 ZINC000225643018 519058615 /nfs/dbraw/zinc/05/86/15/519058615.db2.gz QRQVAGDVQKQGPQ-MRXNPFEDSA-N 0 0 356.491 4.314 40 30 FIEBRN C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)s1 ZINC000223110487 519088503 /nfs/dbraw/zinc/08/85/03/519088503.db2.gz XUBZNUXJILRNPE-GFCCVEGCSA-N 0 0 369.899 4.266 40 30 FIEBRN CC(C)CC(=O)C1=C(Nc2ccccc2)C(=O)C=C(Nc2ccccc2)C1=O ZINC000001866242 519574524 /nfs/dbraw/zinc/57/45/24/519574524.db2.gz JAZZUJQWIKEYPF-UHFFFAOYSA-N 0 0 374.440 4.116 40 30 FIEBRN CCN1c2ccc(/C=C3\S/C(=N\C)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223534780 521730479 /nfs/dbraw/zinc/73/04/79/521730479.db2.gz FGVGNIDSRUMOEA-YEGOXJMZSA-N 0 0 357.523 4.331 40 30 FIEBRN COc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000013586061 523360077 /nfs/dbraw/zinc/36/00/77/523360077.db2.gz MBWGUGILAAJVII-KEBDBYFISA-N 0 0 368.220 4.424 40 30 FIEBRN Cc1cc(C)cc(OCc2nnc(SCc3ccc(C#N)cc3)o2)c1 ZINC000020197003 524454778 /nfs/dbraw/zinc/45/47/78/524454778.db2.gz DWMRFDRUAHOHNB-UHFFFAOYSA-N 0 0 351.431 4.429 40 30 FIEBRN Cc1ccc(NN=C2c3cc(C(C)C)ccc3N(C3CSC3)C2=O)cc1 ZINC000223727537 524914614 /nfs/dbraw/zinc/91/46/14/524914614.db2.gz IYSICAXUYOPCMY-ATJXCDBQSA-N 0 0 365.502 4.397 40 30 FIEBRN Cc1ccc(-c2csc(N=NCc3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC000004957170 525778422 /nfs/dbraw/zinc/77/84/22/525778422.db2.gz ZETWMJWPUHQEQD-VXLYETTFSA-N 0 0 352.419 4.203 40 30 FIEBRN Clc1ccc(C=NNc2nnc(SCCOc3ccccc3)[nH]2)cc1 ZINC000009695139 526940320 /nfs/dbraw/zinc/94/03/20/526940320.db2.gz RYSOQICOQGFADI-XDHOZWIPSA-N 0 0 373.869 4.075 40 30 FIEBRN O=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)cc1 ZINC000013402888 527660396 /nfs/dbraw/zinc/66/03/96/527660396.db2.gz UDYKGAPTZNMEDF-DFEHQXHXSA-N 0 0 370.412 4.248 40 30 FIEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccccc1Br ZINC000409033630 570715110 /nfs/dbraw/zinc/71/51/10/570715110.db2.gz FWIUIZUNSHZEPV-IPKBDRFQSA-N 0 0 367.062 4.163 40 30 FIEBRN N#CCc1ccc(NC(=O)N2CCc3c(CC#N)cccc3C2)c(Cl)c1 ZINC000685939097 568430275 /nfs/dbraw/zinc/43/02/75/568430275.db2.gz GBUXBNUPEFYIQK-UHFFFAOYSA-N 0 0 364.836 4.062 40 30 FIEBRN O=C1[C@H]2C3=C(CCCC3)S[C@@H]2N=C(SC[C@@H]2CO2)N1c1ccccc1 ZINC000025666917 568580893 /nfs/dbraw/zinc/58/08/93/568580893.db2.gz GAQNJNHVLDQEGY-JQFCIGGWSA-N 0 0 372.515 4.038 40 30 FIEBRN C#CCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl ZINC000408531803 570513539 /nfs/dbraw/zinc/51/35/39/570513539.db2.gz RHUWEYGINQFWOD-ATVHPVEESA-N 0 0 368.845 4.244 40 30 FIEBRN N#Cc1c(N)n(Cc2ccccc2Cl)nc1OCc1ccc(Cl)cc1 ZINC000225839725 570544865 /nfs/dbraw/zinc/54/48/65/570544865.db2.gz PKMWXFPTUBMDPM-UHFFFAOYSA-N 0 0 373.243 4.271 40 30 FIEBRN CCCCCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C ZINC000408560853 570554757 /nfs/dbraw/zinc/55/47/57/570554757.db2.gz PSRCGCVGKKSUCJ-INIZCTEOSA-N 0 0 374.554 4.298 40 30 FIEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000408561594 570555112 /nfs/dbraw/zinc/55/51/12/570555112.db2.gz KEBBZEXENHPKKH-UHFFFAOYSA-N 0 0 364.902 4.191 40 30 FIEBRN C#CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1OC ZINC000008110583 570617727 /nfs/dbraw/zinc/61/77/27/570617727.db2.gz NGROYCCMHUDPDL-UHFFFAOYSA-N 0 0 364.214 4.221 40 30 FIEBRN CN(C)c1ccc(C=[NH+][N-]c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000005328489 570623631 /nfs/dbraw/zinc/62/36/31/570623631.db2.gz DLEOJXTTZCWFFC-KEBDBYFISA-N 0 0 352.316 4.126 40 30 FIEBRN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000005568279 570630699 /nfs/dbraw/zinc/63/06/99/570630699.db2.gz ANCXYAWMBSBPMH-LRNAUUFOSA-N 0 0 365.645 4.390 40 30 FIEBRN CCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000408709127 570660873 /nfs/dbraw/zinc/66/08/73/570660873.db2.gz OVHXFVAIJBHZTQ-UHFFFAOYSA-N 0 0 369.303 4.173 40 30 FIEBRN Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccc(Cl)c1)CCCC3 ZINC000408719572 570673484 /nfs/dbraw/zinc/67/34/84/570673484.db2.gz WTVPXALQILPEEC-KEBDBYFISA-N 0 0 357.866 4.181 40 30 FIEBRN COc1cc(C=NNc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000408737665 570684907 /nfs/dbraw/zinc/68/49/07/570684907.db2.gz GEAICPDCZLLLIZ-CIAFOILYSA-N 0 0 364.361 4.237 40 30 FIEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(Br)c1 ZINC000408740994 570687486 /nfs/dbraw/zinc/68/74/86/570687486.db2.gz NKPFKCCSFGFONM-ZVCOJXFSSA-N 0 0 356.223 4.190 40 30 FIEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(Br)c1 ZINC000408740990 570687637 /nfs/dbraw/zinc/68/76/37/570687637.db2.gz NKPFKCCSFGFONM-YDDPGSGASA-N 0 0 356.223 4.190 40 30 FIEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(F)cc3)cc2)nc1 ZINC000408744091 570688595 /nfs/dbraw/zinc/68/85/95/570688595.db2.gz YQOLGWGAOVOIOG-SSDVNMTOSA-N 0 0 366.352 4.154 40 30 FIEBRN C/N=C1/S/C(=C\c2ccccc2OCc2cccc(C)c2)C(=O)N1C ZINC000408844268 570691158 /nfs/dbraw/zinc/69/11/58/570691158.db2.gz HPBYJKJDFVCSNW-UMWYYCSLSA-N 0 0 352.459 4.106 40 30 FIEBRN COc1ccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408856043 570693399 /nfs/dbraw/zinc/69/33/99/570693399.db2.gz HBHIZUKZCJVNRI-HAVVHWLPSA-N 0 0 361.445 4.073 40 30 FIEBRN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000408917375 570698472 /nfs/dbraw/zinc/69/84/72/570698472.db2.gz SFPUJHNSEVOWEH-XDHOZWIPSA-N 0 0 364.470 4.380 40 30 FIEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1 ZINC000408914295 570698830 /nfs/dbraw/zinc/69/88/30/570698830.db2.gz PCHTXDRJZHKDFW-KEBDBYFISA-N 0 0 366.329 4.343 40 30 FIEBRN C/N=C1/S/C(=C/c2ccccc2OCc2ccc(C)cc2)C(=O)N1C ZINC000408930196 570700379 /nfs/dbraw/zinc/70/03/79/570700379.db2.gz TYSSSCGTXYRDLZ-LLPDMMGZSA-N 0 0 352.459 4.106 40 30 FIEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OC(C)C ZINC000408931311 570700664 /nfs/dbraw/zinc/70/06/64/570700664.db2.gz 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/nfs/dbraw/zinc/72/29/30/570722930.db2.gz IUPSNBICRJGTOW-UYRXBGFRSA-N 0 0 351.427 4.183 40 30 FIEBRN Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(Cc2cccnc2)C1=O ZINC000409101691 570724302 /nfs/dbraw/zinc/72/43/02/570724302.db2.gz QMKJQEGZLDPGDJ-CUVVSLBBSA-N 0 0 374.469 4.224 40 30 FIEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O ZINC000409101984 570724511 /nfs/dbraw/zinc/72/45/11/570724511.db2.gz ZTDDRCJOHJGZOZ-NTEUORMPSA-N 0 0 367.854 4.358 40 30 FIEBRN N#CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409342400 570751119 /nfs/dbraw/zinc/75/11/19/570751119.db2.gz CBMMKISHYIBTLU-MHWRWJLKSA-N 0 0 370.817 4.483 40 30 FIEBRN N#CCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409349073 570752076 /nfs/dbraw/zinc/75/20/76/570752076.db2.gz QOTLGTZUZQOTNF-MHWRWJLKSA-N 0 0 370.430 4.134 40 30 FIEBRN CC/N=C1/S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CC ZINC000006634105 570783958 /nfs/dbraw/zinc/78/39/58/570783958.db2.gz VBTKVYSGTHFJFD-QOOZPXINSA-N 0 0 371.418 4.167 40 30 FIEBRN NC(=S)N/N=C1\c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000016954078 570863636 /nfs/dbraw/zinc/86/36/36/570863636.db2.gz SSCFWVXYEZDYHV-CPNJWEJPSA-N 0 0 356.665 4.213 40 30 FIEBRN C#CCOc1cccc(CN[C@@H](Cc2cccs2)c2nccs2)c1 ZINC000072341755 571053608 /nfs/dbraw/zinc/05/36/08/571053608.db2.gz BIAKKVBMYTYKBX-SFHVURJKSA-N 0 0 354.500 4.290 40 30 FIEBRN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)ccc3O)S2)cc1 ZINC000032138994 571057485 /nfs/dbraw/zinc/05/74/85/571057485.db2.gz QYLSUJSTDNFCNP-MHWRWJLKSA-N 0 0 374.849 4.336 40 30 FIEBRN O=C(Nc1ccccc1)c1ccc(N=NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000005734845 571069975 /nfs/dbraw/zinc/06/99/75/571069975.db2.gz ZWZBKOBIGVNIRJ-KGENOOAVSA-N 0 0 360.373 4.293 40 30 FIEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cc(Cl)ccc1O ZINC000058900526 571087489 /nfs/dbraw/zinc/08/74/89/571087489.db2.gz KQZFKQYXBUCICY-FBCYGCLPSA-N 0 0 359.691 4.419 40 30 FIEBRN COc1ccc(NC=CC(=O)c2cccc(Br)c2)c(OC)c1 ZINC000059381749 571090027 /nfs/dbraw/zinc/09/00/27/571090027.db2.gz 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Cc1ccc(COc2nn(Cc3ccccc3Cl)c(N)c2C#N)cc1C ZINC000225839818 571338584 /nfs/dbraw/zinc/33/85/84/571338584.db2.gz LYOQJSNMSXPYIK-UHFFFAOYSA-N 0 0 366.852 4.235 40 30 FIEBRN N#Cc1c(N)n(Cc2ccc(Cl)c(Cl)c2)nc1OCc1ccccc1 ZINC000225846995 571338675 /nfs/dbraw/zinc/33/86/75/571338675.db2.gz NSSAMFZGPDGTGY-UHFFFAOYSA-N 0 0 373.243 4.271 40 30 FIEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 ZINC000225848937 571338693 /nfs/dbraw/zinc/33/86/93/571338693.db2.gz RCAHCXGHJHXAFB-HXUWFJFHSA-N 0 0 360.454 4.188 40 30 FIEBRN N#C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000242648396 571358496 /nfs/dbraw/zinc/35/84/96/571358496.db2.gz QWNZNSFWGKGFRE-OAGGEKHMSA-N 0 0 352.242 4.073 40 30 FIEBRN O=C(c1ccc(Cl)cc1)[C@H]1O[C@@]12C(=O)Nc1c2cc(Cl)cc1Cl ZINC000001624435 204014396 /nfs/dbraw/zinc/01/43/96/204014396.db2.gz PDLFTPBJXAKBQW-GDBMZVCRSA-N 0 0 368.603 4.076 40 30 FIEBRN Cc1ccc2c(c1)C(=O)C(=O)C(C)=C2C1=C(C)C(=O)C(=O)c2cc(C)ccc21 ZINC000001647614 204016206 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O=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)cc1 ZINC000100369026 527660047 /nfs/dbraw/zinc/66/00/47/527660047.db2.gz UDYKGAPTZNMEDF-REPVBDINSA-N 0 0 370.412 4.248 40 30 FIEBRN COc1cc(O)c(/C=N/N=C2c3ccccc3-c3ccccc32)c(OC)c1 ZINC000001710211 570505173 /nfs/dbraw/zinc/50/51/73/570505173.db2.gz HNBIMHWMFCDQJK-YDZHTSKRSA-N 0 0 358.397 4.261 40 30 FIEBRN CN(C)c1ccc(/N=C\c2ccccc2I)cc1 ZINC000408549936 570534570 /nfs/dbraw/zinc/53/45/70/570534570.db2.gz BWENKGLJLMPXSH-BOPFTXTBSA-N 0 0 350.203 4.108 40 30 FIEBRN C#CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000408556507 570553353 /nfs/dbraw/zinc/55/33/53/570553353.db2.gz JBJQRCJVNFOFHD-UHFFFAOYSA-N 0 0 360.797 4.271 40 30 FIEBRN CCCCCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C ZINC000408560857 570554645 /nfs/dbraw/zinc/55/46/45/570554645.db2.gz PSRCGCVGKKSUCJ-MRXNPFEDSA-N 0 0 374.554 4.298 40 30 FIEBRN C#CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Cl ZINC000408572106 570556951 /nfs/dbraw/zinc/55/69/51/570556951.db2.gz 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570693005 /nfs/dbraw/zinc/69/30/05/570693005.db2.gz MOILIGJZANVZDW-WSDLNYQXSA-N 0 0 350.418 4.147 40 30 FIEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1 ZINC000408866277 570693757 /nfs/dbraw/zinc/69/37/57/570693757.db2.gz HAQSWWOGTZEMTN-GHXNOFRVSA-N 0 0 363.782 4.041 40 30 FIEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1 ZINC000408907996 570698085 /nfs/dbraw/zinc/69/80/85/570698085.db2.gz AEBUBPPARKOWKV-KEBDBYFISA-N 0 0 366.329 4.343 40 30 FIEBRN COCCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N\c1ccccc1 ZINC000408931888 570700035 /nfs/dbraw/zinc/70/00/35/570700035.db2.gz RQSSVHXEDZUFGY-CJGMICOPSA-N 0 0 356.447 4.229 40 30 FIEBRN C/N=C1/S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N1C ZINC000408929242 570700264 /nfs/dbraw/zinc/70/02/64/570700264.db2.gz IOWUOLDTPXRLIR-LLPDMMGZSA-N 0 0 352.459 4.106 40 30 FIEBRN Cc1ccc(NC(=O)COc2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000409005180 570711391 /nfs/dbraw/zinc/71/13/91/570711391.db2.gz DCTBPVKHAGYIOV-HZHRSRAPSA-N 0 0 359.429 4.459 40 30 FIEBRN 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570575163 /nfs/dbraw/zinc/57/51/63/570575163.db2.gz BTOLQSMYCHYZQJ-AFUMVMLFSA-N 0 0 354.413 4.388 40 30 FIEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)cc3C)S2)cc1 ZINC000408758408 570603396 /nfs/dbraw/zinc/60/33/96/570603396.db2.gz JRZDBNIDELAIGL-PDGQHHTCSA-N 0 0 352.459 4.458 40 30 FIEBRN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccc(O)cc2)cc1 ZINC000245241493 570610774 /nfs/dbraw/zinc/61/07/74/570610774.db2.gz FXRMEWQEXBZFLT-UHFFFAOYSA-N 0 0 352.463 4.119 40 30 FIEBRN CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000035396401 570649639 /nfs/dbraw/zinc/64/96/39/570649639.db2.gz GORPCQYCPLCIRD-XKZIYDEJSA-N 0 0 370.449 4.090 40 30 FIEBRN COc1ccc2c(c1)/C(=N/OC(=O)C13CC4CC(CC(C4)C1)C3)CCC2 ZINC000004892743 570672944 /nfs/dbraw/zinc/67/29/44/570672944.db2.gz YBTZFGRKVMVVTC-BSYVCWPDSA-N 0 0 353.462 4.495 40 30 FIEBRN COc1ccc2c(c1)-c1nc(/N=C/c3ccc4c(c3)OCO4)sc1CC2 ZINC000408722898 570677010 /nfs/dbraw/zinc/67/70/10/570677010.db2.gz OBDHTCVGTNSVKB-UFFVCSGVSA-N 0 0 364.426 4.397 40 30 FIEBRN 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C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224855514 518802881 /nfs/dbraw/zinc/80/28/81/518802881.db2.gz SLEIHUFLGAADGV-UHFFFAOYSA-N 0 0 372.273 4.383 40 30 FIEBRN C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000224669558 518805150 /nfs/dbraw/zinc/80/51/50/518805150.db2.gz ARJSZGGUFGGJFN-UHFFFAOYSA-N 0 0 366.280 4.139 40 30 FIEBRN C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 ZINC000020481773 518941313 /nfs/dbraw/zinc/94/13/13/518941313.db2.gz OKSPUMVHRJHSHM-GOSISDBHSA-N 0 0 372.852 4.052 40 30 FIEBRN C=CCc1ccc(O[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000049181103 519141443 /nfs/dbraw/zinc/14/14/43/519141443.db2.gz KKYNVNUZEODDKF-HNNXBMFYSA-N 0 0 372.461 4.460 40 30 biogenic,in-vitro FIEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1OC(C)C ZINC000020196479 520639743 /nfs/dbraw/zinc/63/97/43/520639743.db2.gz FWZBVNHNBORCGG-OEAKJJBVSA-N 0 0 372.465 4.013 40 30 FIEBRN Cc1ccc(C)c(NN=C2c3cc(Cl)ccc3N(C3CSC3)C2=O)c1 ZINC000223739184 524119541 /nfs/dbraw/zinc/11/95/41/524119541.db2.gz 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0 0 366.486 4.453 40 30 FIEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SCC=C ZINC000219804456 210175609 /nfs/dbraw/zinc/17/56/09/210175609.db2.gz VYRLXYCBAHCPGQ-UHFFFAOYSA-N 0 0 352.459 4.133 40 30 FIEBRN C=CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 ZINC000219642910 210174760 /nfs/dbraw/zinc/17/47/60/210174760.db2.gz GVDYVDPCWQQJKR-LJQANCHMSA-N 0 0 367.445 4.292 40 30 FIEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1C ZINC000020633185 210157463 /nfs/dbraw/zinc/15/74/63/210157463.db2.gz LGEYFPGIMGBWLE-FQEVSTJZSA-N 0 0 359.429 4.363 40 30 FIEBRN C=C(Br)Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1 ZINC000015922084 210146967 /nfs/dbraw/zinc/14/69/67/210146967.db2.gz KITBNGDMJPUFMC-LBPRGKRZSA-N 0 0 374.238 4.029 40 30 FIEBRN C=CCc1cc(C(=O)Nc2cc(C(=O)OCC)ccc2C)ccc1OC ZINC000013674196 210144111 /nfs/dbraw/zinc/14/41/11/210144111.db2.gz ORAAAXJTZNLEJA-UHFFFAOYSA-N 0 0 353.418 4.161 40 30 FIEBRN C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CC[C@@H](O)O1 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Cc1cc(C)c2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1 ZINC000004849137 219613140 /nfs/dbraw/zinc/61/31/40/219613140.db2.gz PPWPDMWTDJGQFL-UHFFFAOYSA-N 0 0 353.491 4.264 40 30 FIEBRN Cc1nc2c(cnn2-c2ccccc2)c(N=NCc2ccc(Cl)cc2)n1 ZINC000005259486 219666319 /nfs/dbraw/zinc/66/63/19/219666319.db2.gz BBWLNMFBJPIISY-SRZZPIQSSA-N 0 0 362.824 4.223 40 30 FIEBRN C(=N\N1CCN(/N=C\c2ccccc2)C1c1ccccc1)\c1ccccc1 ZINC000031729900 211536146 /nfs/dbraw/zinc/53/61/46/211536146.db2.gz YQHOSSJYRQMLRP-GJEUYDLNSA-N 0 0 354.457 4.371 40 30 FIEBRN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1c[nH]c2ccccc12 ZINC000028352080 211488131 /nfs/dbraw/zinc/48/81/31/211488131.db2.gz SSIDVJHCUGWXRD-JMIUGGIZSA-N 0 0 353.838 4.251 40 30 FIEBRN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)C2=C(N1)c1ccccc1C2=O ZINC000019228808 211210303 /nfs/dbraw/zinc/21/03/03/211210303.db2.gz BIVUHRPIBQMTBM-FQEVSTJZSA-N 0 0 373.452 4.454 40 30 FIEBRN CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000017109889 211179061 /nfs/dbraw/zinc/17/90/61/211179061.db2.gz QRKHTQZVNATGDU-XUTLUUPISA-N 0 0 358.507 4.385 40 30 FIEBRN O=[N+]([O-])c1ccc(NN=C(c2ccc(O)cc2)c2ccc(F)cc2)cc1 ZINC000016400122 211161886 /nfs/dbraw/zinc/16/18/86/211161886.db2.gz QCZYRMZPBHBHJJ-QOCHGBHMSA-N 0 0 351.337 4.304 40 30 FIEBRN CCCOc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 ZINC000019972683 220308623 /nfs/dbraw/zinc/30/86/23/220308623.db2.gz NJNIIRHVJMIRPX-UHFFFAOYSA-N 0 0 351.446 4.176 40 30 FIEBRN CC1(C)CC(=O)C([C@H](c2ccc(Cl)cc2)[C@@H](C#N)C(N)=S)C(=O)C1 ZINC000001087480 210315598 /nfs/dbraw/zinc/31/55/98/210315598.db2.gz RGLKMAXBVHBMOU-IUODEOHRSA-N 0 0 362.882 4.051 40 30 FIEBRN Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)C1=O ZINC000071785087 221376290 /nfs/dbraw/zinc/37/62/90/221376290.db2.gz ANYSKZGJSBHZPP-YMYVJMBUSA-N 0 0 362.473 4.244 40 30 FIEBRN Cc1c(/N=C\c2c(O)ccc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000100271054 222240583 /nfs/dbraw/zinc/24/05/83/222240583.db2.gz SFKAWDFUODXKKF-UCQKPKSFSA-N 0 0 357.413 4.094 40 30 FIEBRN 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211113699 /nfs/dbraw/zinc/11/36/99/211113699.db2.gz QAJABSPPXZZMHJ-CAOOACKPSA-N 0 0 355.619 4.263 40 30 FIEBRN CCc1nc(SCc2ccc(C(=O)OC)cc2)c(C#N)c2c1CCCC2 ZINC000012249716 210932886 /nfs/dbraw/zinc/93/28/86/210932886.db2.gz CJYUHWYEEQNLOV-UHFFFAOYSA-N 0 0 366.486 4.473 40 30 FIEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CCC#N ZINC000004742414 210560441 /nfs/dbraw/zinc/56/04/41/210560441.db2.gz PURUBGVOEPFNQR-JZTHCNPZSA-N 0 0 369.505 4.122 40 30 FIEBRN COCCN1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccccc1 ZINC000002783098 210421614 /nfs/dbraw/zinc/42/16/14/210421614.db2.gz ZPAXKFQBLYQMBJ-HOOMGSECSA-N 0 0 352.459 4.245 40 30 FIEBRN CCc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)cc1 ZINC000002141493 210381225 /nfs/dbraw/zinc/38/12/25/210381225.db2.gz ODSRQKSHWIFJEV-VYADPRQXSA-N 0 0 366.486 4.499 40 30 FIEBRN C(=N/N1CCN(/N=C/c2ccccc2)C1c1ccccc1)\c1ccccc1 ZINC000001755203 210370207 /nfs/dbraw/zinc/37/02/07/210370207.db2.gz YQHOSSJYRQMLRP-SIHVKLMXSA-N 0 0 354.457 4.371 40 30 FIEBRN Oc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000001183731 210332339 /nfs/dbraw/zinc/33/23/39/210332339.db2.gz VSPLZTPGJAKDAX-LSCVHKIXSA-N 0 0 365.245 4.128 40 30 FIEBRN Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]2(C)C1=O ZINC000071785085 221376249 /nfs/dbraw/zinc/37/62/49/221376249.db2.gz ANYSKZGJSBHZPP-AFGIOXCNSA-N 0 0 362.473 4.244 40 30 FIEBRN Cc1cccc2cc(C#N)c(SCC(=O)N3CCCc4ccccc43)nc12 ZINC000000977017 132252331 /nfs/dbraw/zinc/25/23/31/132252331.db2.gz TZOILJZRRDBARY-UHFFFAOYSA-N 0 0 373.481 4.486 40 30 FIEBRN COc1cc(NCC(C#N)C#N)ccc1/N=N\c1ccc([N+](=O)[O-])cc1 ZINC000104288915 222353726 /nfs/dbraw/zinc/35/37/26/222353726.db2.gz HECQUXRJYSHQBR-DQRAZIAOSA-N 0 0 350.338 4.094 40 30 FIEBRN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000004626443 263335064 /nfs/dbraw/zinc/33/50/64/263335064.db2.gz VRPWAJRKALCHQX-RDTXWAMCSA-N 0 0 374.437 4.096 40 30 FIEBRN Cc1cc(C)nc(N=NCc2cn(-c3ccccc3)nc2-c2cccs2)n1 ZINC000006672246 263346525 /nfs/dbraw/zinc/34/65/25/263346525.db2.gz AHJLJWWLNFYQJR-CIAFOILYSA-N 0 0 374.473 4.454 40 30 FIEBRN Cc1sc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C#N)c1C ZINC000009142104 263360214 /nfs/dbraw/zinc/36/02/14/263360214.db2.gz WBLPOCPCSDKBGK-GQCTYLIASA-N 0 0 361.810 4.450 40 30 FIEBRN C=CCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OC ZINC000020763035 263382366 /nfs/dbraw/zinc/38/23/66/263382366.db2.gz MMOCOYKKTUVXFS-CIAFOILYSA-N 0 0 360.841 4.046 40 30 FIEBRN COc1cc(C=NNc2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000033042727 263394611 /nfs/dbraw/zinc/39/46/11/263394611.db2.gz NHEUVHBWXTWTBI-DEDYPNTBSA-N 0 0 357.410 4.474 40 30 FIEBRN CCOC(=O)C(=NNc1ccccc1)c1cnc(Nc2ccccc2)s1 ZINC000057472758 263412566 /nfs/dbraw/zinc/41/25/66/263412566.db2.gz MOMBUZMSKOKJRF-QJOMJCCJSA-N 0 0 366.446 4.266 40 30 FIEBRN N#Cc1cn(CCOc2ccc(F)cc2)c2ccc(Br)cc12 ZINC000059109387 263416671 /nfs/dbraw/zinc/41/66/71/263416671.db2.gz HADFZEVUPGUIKO-UHFFFAOYSA-N 0 0 359.198 4.494 40 30 FIEBRN CCOc1ccc(/C=N/OCc2ccccc2C#N)cc1Br ZINC000408595976 263478459 /nfs/dbraw/zinc/47/84/59/263478459.db2.gz YKMAFFFMIKAAKS-RGVLZGJSSA-N 0 0 359.223 4.270 40 30 FIEBRN CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 ZINC000408906649 263506931 /nfs/dbraw/zinc/50/69/31/263506931.db2.gz JNTBZMXFSZDFEE-ORFSPIAFSA-N 0 0 357.391 4.202 40 30 FIEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1C ZINC000408908478 263507077 /nfs/dbraw/zinc/50/70/77/263507077.db2.gz FELTVOUHIRKHIH-BIXZQSIESA-N 0 0 352.459 4.491 40 30 FIEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OC(C)C ZINC000408980494 263514228 /nfs/dbraw/zinc/51/42/28/263514228.db2.gz RKKWKPNJNTZGMF-UHFFFAOYSA-N 0 0 359.429 4.496 40 30 FIEBRN C=CCN1C(=O)N/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000409136574 263532303 /nfs/dbraw/zinc/53/23/03/263532303.db2.gz XMSCRAFIUWEDQZ-FOWTUZBSSA-N 0 0 356.466 4.066 40 30 FIEBRN C=CCCCC(=O)CCC[C@@H](C)OC(=O)c1c(O)cc(OC)cc1OC ZINC000039030853 518698559 /nfs/dbraw/zinc/69/85/59/518698559.db2.gz GIQVBZLNKRMWBN-CQSZACIVSA-N 0 0 364.438 4.050 40 30 in-vitro FIEBRN C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225111533 518803650 /nfs/dbraw/zinc/80/36/50/518803650.db2.gz NDXMCAAZBXKPPB-UHFFFAOYSA-N 0 0 363.454 4.141 40 30 FIEBRN C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224865874 518808316 /nfs/dbraw/zinc/80/83/16/518808316.db2.gz YPBPTWDJCKSFGF-UHFFFAOYSA-N 0 0 371.380 4.095 40 30 FIEBRN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225047195 518814519 /nfs/dbraw/zinc/81/45/19/518814519.db2.gz KXNGADFDGMKGHN-UHFFFAOYSA-N 0 0 353.443 4.230 40 30 FIEBRN C=CCOc1cccc(NC(=S)NCCCSCc2ccco2)c1 ZINC000225594921 519056439 /nfs/dbraw/zinc/05/64/39/519056439.db2.gz VUBSCWZZMDZWNA-UHFFFAOYSA-N 0 0 362.520 4.454 40 30 FIEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000224662961 519077517 /nfs/dbraw/zinc/07/75/17/519077517.db2.gz UTKKFJDAJZAMNW-AWEZNQCLSA-N 0 0 357.475 4.473 40 30 FIEBRN C=CCc1cc(C(=O)Nc2nnc(SCC(C)C)s2)ccc1OC ZINC000225703685 519129384 /nfs/dbraw/zinc/12/93/84/519129384.db2.gz JYURSEPBLBTSNQ-UHFFFAOYSA-N 0 0 363.508 4.276 40 30 FIEBRN C=CCc1ccc(O[C@@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000076555540 519140325 /nfs/dbraw/zinc/14/03/25/519140325.db2.gz VSOKLBFMYGYFIN-LBPRGKRZSA-N 0 0 353.378 4.348 40 30 FIEBRN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 ZINC000014087872 519188962 /nfs/dbraw/zinc/18/89/62/519188962.db2.gz XVHWJAKOUUEWGW-UHFFFAOYSA-N 0 0 355.438 4.475 40 30 FIEBRN CC1(C)CC(=O)C(C(c2cccnc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000105550796 520253901 /nfs/dbraw/zinc/25/39/01/520253901.db2.gz IAIABBBLPQICSW-MOPGFXCFSA-N 0 0 369.461 4.424 40 30 FIEBRN COc1cc(C=[NH+][N-]c2ccccc2)cc(C=NNc2ccccc2)c1O ZINC000035191177 522006553 /nfs/dbraw/zinc/00/65/53/522006553.db2.gz SJSJDFNAMYIVOG-OQRYGUKSSA-N 0 0 360.417 4.293 40 30 FIEBRN Cc1cc(C)cc(OCc2nnc(SCc3cccc(C#N)c3)o2)c1 ZINC000020197018 524455655 /nfs/dbraw/zinc/45/56/55/524455655.db2.gz FDYNAZXSTIWWDR-UHFFFAOYSA-N 0 0 351.431 4.429 40 30 FIEBRN O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1cccc(C(F)(F)F)c1 ZINC000223747191 527088543 /nfs/dbraw/zinc/08/85/43/527088543.db2.gz ZMIJWDLMQQAGPA-UHFFFAOYSA-N 0 0 373.256 4.493 40 30 FIEBRN O=C1Nc2ccc(C(F)(F)F)cc2C1=NN=c1[nH]c2ccccc2s1 ZINC000223747989 527089702 /nfs/dbraw/zinc/08/97/02/527089702.db2.gz UBCUTEXFQSRIJE-UHFFFAOYSA-N 0 0 362.336 4.083 40 30 FIEBRN O=C(/C=C\Sc1nnnn1-c1ccccc1)c1cccc2ccccc21 ZINC000016523812 527653811 /nfs/dbraw/zinc/65/38/11/527653811.db2.gz UHDLYQKMRNPSFO-YPKPFQOOSA-N 0 0 358.426 4.304 40 30 FIEBRN FC(F)(F)C(F)(F)[C@@](F)(/C=C/I)C(F)(F)F ZINC000095682084 570470908 /nfs/dbraw/zinc/47/09/08/570470908.db2.gz JLNNSBACHLCUOY-GODVDRNPSA-N 0 0 371.968 4.403 40 30 FIEBRN Cc1ccc2nc(SCC(=O)N3CCc4ccccc43)c(C#N)cc2c1 ZINC000004848873 570533967 /nfs/dbraw/zinc/53/39/67/570533967.db2.gz VKYNGZGRPAUKAB-UHFFFAOYSA-N 0 0 359.454 4.096 40 30 FIEBRN C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000223738598 570541229 /nfs/dbraw/zinc/54/12/29/570541229.db2.gz DYFXIYRZWNJIJG-UHFFFAOYSA-N 0 0 367.470 4.225 40 30 FIEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCCCC3)cc2F)c1 ZINC000408589554 570566895 /nfs/dbraw/zinc/56/68/95/570566895.db2.gz DSUDQOPBIWCYJL-FYJGNVAPSA-N 0 0 357.385 4.275 40 30 FIEBRN COc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408594037 570575040 /nfs/dbraw/zinc/57/50/40/570575040.db2.gz RPQBRZLIXKSIPN-QGMBQPNBSA-N 0 0 355.177 4.461 40 30 FIEBRN COc1ccc(OC)c(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)c1 ZINC000005376459 570625467 /nfs/dbraw/zinc/62/54/67/570625467.db2.gz SNAUYUHSZSSWLJ-WQRHYEAKSA-N 0 0 368.458 4.212 40 30 FIEBRN O=[N+]([O-])c1cc(N=NC(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000005890918 570637820 /nfs/dbraw/zinc/63/78/20/570637820.db2.gz XQBUFRNCBVEEKJ-UHFFFAOYSA-N 0 0 362.345 4.368 40 30 FIEBRN N#CCSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000004124626 570664702 /nfs/dbraw/zinc/66/47/02/570664702.db2.gz CPDGTTOBMRGZLF-UHFFFAOYSA-N 0 0 356.838 4.115 40 30 FIEBRN COc1ccc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc1 ZINC000004536732 570669023 /nfs/dbraw/zinc/66/90/23/570669023.db2.gz KFNYNYRBXQZMQX-WQRHYEAKSA-N 0 0 352.459 4.072 40 30 FIEBRN CCc1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1 ZINC000004848911 570670178 /nfs/dbraw/zinc/67/01/78/570670178.db2.gz XGDQATDHAMKVFY-CQSZACIVSA-N 0 0 353.491 4.019 40 30 FIEBRN COc1cc(OC)c(/C=N/c2oc(C)c(C)c2C#N)cc1Br ZINC000408718926 570673115 /nfs/dbraw/zinc/67/31/15/570673115.db2.gz BOIUFVQFAWIUQM-UFWORHAWSA-N 0 0 363.211 4.298 40 30 FIEBRN COc1cc(OC)c(OC)cc1C=NNc1ccnc2cc(Cl)ccc21 ZINC000005163812 570677216 /nfs/dbraw/zinc/67/72/16/570677216.db2.gz ZLJHPZGDBAQFMG-SSDVNMTOSA-N 0 0 371.824 4.360 40 30 FIEBRN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000005444123 570678429 /nfs/dbraw/zinc/67/84/29/570678429.db2.gz RASYCAOXNAPDJC-GOSISDBHSA-N 0 0 353.393 4.060 40 30 FIEBRN Cc1cc(/C=N/N2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000008084092 570683853 /nfs/dbraw/zinc/68/38/53/570683853.db2.gz XXHUDFAYFRYFLF-RGVLZGJSSA-N 0 0 352.265 4.067 40 30 FIEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1C ZINC000408773092 570685648 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368.458 4.212 40 30 FIEBRN CCOc1ccc(C=NNc2ccccc2)cc1I ZINC000408903893 263505588 /nfs/dbraw/zinc/50/55/88/263505588.db2.gz AYOJOROODMTXOM-GZTJUZNOSA-N 0 0 366.202 4.136 40 30 FIEBRN Oc1ccc(/C=N\c2ccc(Cl)cc2)cc1I ZINC000408965602 263510531 /nfs/dbraw/zinc/51/05/31/263510531.db2.gz WGLJNQRXFNLHBH-PXNMLYILSA-N 0 0 357.578 4.401 40 30 FIEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1 ZINC000409001834 263516979 /nfs/dbraw/zinc/51/69/79/263516979.db2.gz WXFNXZPGGXZGHH-CPNJWEJPSA-N 0 0 372.471 4.052 40 30 FIEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Br)cc1 ZINC000409030681 263518159 /nfs/dbraw/zinc/51/81/59/263518159.db2.gz FETFXCJEAVIWDL-IPKBDRFQSA-N 0 0 367.062 4.163 40 30 FIEBRN C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224783341 518802624 /nfs/dbraw/zinc/80/26/24/518802624.db2.gz FPPZLLVJKMTABS-UHFFFAOYSA-N 0 0 374.462 4.210 40 30 FIEBRN C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224681165 518813618 /nfs/dbraw/zinc/81/36/18/518813618.db2.gz KTMMDZPJLGQHAF-UHFFFAOYSA-N 0 0 357.475 4.389 40 30 FIEBRN C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224974539 518815754 /nfs/dbraw/zinc/81/57/54/518815754.db2.gz KURNSAXAWHUIRT-UHFFFAOYSA-N 0 0 353.896 4.443 40 30 FIEBRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224609658 518817348 /nfs/dbraw/zinc/81/73/48/518817348.db2.gz KNCZPSVLTGLJKK-UHFFFAOYSA-N 0 0 372.273 4.383 40 30 FIEBRN C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 ZINC000020481776 518941134 /nfs/dbraw/zinc/94/11/34/518941134.db2.gz OKSPUMVHRJHSHM-SFHVURJKSA-N 0 0 372.852 4.052 40 30 FIEBRN C=CCOc1ccc(NC(=S)N[C@H](C)COc2ccccc2OC)cc1 ZINC000225787695 519041287 /nfs/dbraw/zinc/04/12/87/519041287.db2.gz KMTQQKFPVCNKLV-OAHLLOKOSA-N 0 0 372.490 4.014 40 30 FIEBRN C=CCOc1cccc(NC(=S)NCCCc2ccc(OC)cc2)c1 ZINC000225557615 519057581 /nfs/dbraw/zinc/05/75/81/519057581.db2.gz SINYPLVRLVXBAI-UHFFFAOYSA-N 0 0 356.491 4.179 40 30 FIEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccccc1 ZINC000032604304 519191814 /nfs/dbraw/zinc/19/18/14/519191814.db2.gz NSWQORNCYDSIQX-UHFFFAOYSA-N 0 0 351.475 4.356 40 30 FIEBRN CCCn1cc(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000020196613 521642238 /nfs/dbraw/zinc/64/22/38/521642238.db2.gz VBXGENVAQJFDKI-OEAKJJBVSA-N 0 0 351.450 4.192 40 30 FIEBRN COc1ccc2cc([C@@H](C#N)OC(=O)C[C@@H]3O[C@H]3c3ccccc3)ccc2c1 ZINC000064859054 525636524 /nfs/dbraw/zinc/63/65/24/525636524.db2.gz NZOVBSWOWQLAJG-XJUOHMSHSA-N 0 0 373.408 4.486 40 30 in-vitro FIEBRN Cc1ccc2c(c1)C(=NNc1cc(Cl)ccc1C)C(=O)N2C1CSC1 ZINC000223721316 526137456 /nfs/dbraw/zinc/13/74/56/526137456.db2.gz ZTABCVMWRPLEQR-PYCFMQQDSA-N 0 0 371.893 4.235 40 30 FIEBRN [N-]=[N+]=Nc1ccccc1C(=O)NCCCNC(=O)c1ccccc1N=[N+]=[N-] ZINC000017126923 526391683 /nfs/dbraw/zinc/39/16/83/526391683.db2.gz DCETYCXYXFMJQV-UHFFFAOYSA-N 0 0 364.369 4.120 40 30 FIEBRN Cc1n[nH]c(C)c1/N=C/c1ccccc1OCC(=O)Nc1ccccc1C ZINC000101549796 526482758 /nfs/dbraw/zinc/48/27/58/526482758.db2.gz QBXUHAFUZCTSAI-WSDLNYQXSA-N 0 0 362.433 4.103 40 30 FIEBRN CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1Cl ZINC000001510948 570501316 /nfs/dbraw/zinc/50/13/16/570501316.db2.gz WQURSXNVAZPXOM-IBGZPJMESA-N 0 0 354.837 4.470 40 30 FIEBRN Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2c1C ZINC000004849074 570535380 /nfs/dbraw/zinc/53/53/80/570535380.db2.gz PKGWZILFPWOYJE-UHFFFAOYSA-N 0 0 361.470 4.132 40 30 FIEBRN Cc1cc(C)c2nc(SCC(=O)N3CCC[C@H](C)C3)c(C#N)cc2c1 ZINC000004849140 570535689 /nfs/dbraw/zinc/53/56/89/570535689.db2.gz UGCWCYXUEYBJIA-ZDUSSCGKSA-N 0 0 353.491 4.074 40 30 FIEBRN C/C(=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118917610 570560096 /nfs/dbraw/zinc/56/00/96/570560096.db2.gz XRIBCZBNOYMDRN-NSGHZWNESA-N 0 0 358.482 4.425 40 30 FIEBRN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118926621 570560435 /nfs/dbraw/zinc/56/04/35/570560435.db2.gz ZDGBLAAWXWQTOP-ZQJQBLJKSA-N 0 0 370.489 4.041 40 30 FIEBRN CCOc1cc(Cl)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000408595331 570575435 /nfs/dbraw/zinc/57/54/35/570575435.db2.gz WEJHBCKOOUGFMW-VXLYETTFSA-N 0 0 364.785 4.206 40 30 FIEBRN C(=N\N1CCN(c2ccccn2)CC1)\c1cccc(Oc2ccccc2)c1 ZINC000004482703 570592099 /nfs/dbraw/zinc/59/20/99/570592099.db2.gz MSVHRGQKHWUQIK-MOHJPFBDSA-N 0 0 358.445 4.030 40 30 FIEBRN C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(SC)cc1 ZINC000224987272 570599703 /nfs/dbraw/zinc/59/97/03/570599703.db2.gz MADJTLPJELCZNV-UHFFFAOYSA-N 0 0 355.431 4.068 40 30 FIEBRN C=CCOc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000225812642 570609953 /nfs/dbraw/zinc/60/99/53/570609953.db2.gz XNHYMFBBDUFRMM-UHFFFAOYSA-N 0 0 351.324 4.288 40 30 FIEBRN C=CCOc1cccc(NC(=S)NCc2ccc(OC)c(OCC)c2)c1 ZINC000225771368 570609958 /nfs/dbraw/zinc/60/99/58/570609958.db2.gz ABUYMICNBHEEPQ-UHFFFAOYSA-N 0 0 372.490 4.145 40 30 FIEBRN Fc1cccc(Cl)c1/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000005048236 570619612 /nfs/dbraw/zinc/61/96/12/570619612.db2.gz AOBKFRVMSWDZBR-UFFVCSGVSA-N 0 0 365.905 4.246 40 30 FIEBRN CC1N=NC(=S)N1N=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008227837 570619642 /nfs/dbraw/zinc/61/96/42/570619642.db2.gz YZTYTTSXEIVNIZ-REZTVBANSA-N 0 0 353.234 4.324 40 30 FIEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 ZINC000005376425 570625401 /nfs/dbraw/zinc/62/54/01/570625401.db2.gz ODHLCJZAMDOAST-NVNXTCNLSA-N 0 0 362.813 4.379 40 30 FIEBRN CCc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(OC)ccc2OC)S1 ZINC000005376450 570625521 /nfs/dbraw/zinc/62/55/21/570625521.db2.gz IVGVOZADTSSWEK-PDGQHHTCSA-N 0 0 368.458 4.158 40 30 FIEBRN COc1ccc(C/N=C\c2cc(Br)c(Br)o2)cc1 ZINC000408853807 570692929 /nfs/dbraw/zinc/69/29/29/570692929.db2.gz SKAHTSVCYYJIHK-PXNMLYILSA-N 0 0 373.044 4.432 40 30 FIEBRN CCCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408707746 570658830 /nfs/dbraw/zinc/65/88/30/570658830.db2.gz DIDHKGITFKNHRY-UHFFFAOYSA-N 0 0 364.795 4.384 40 30 FIEBRN CCCCCCCCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000408710012 570661416 /nfs/dbraw/zinc/66/14/16/570661416.db2.gz LHEJHQCISLUZTL-UHFFFAOYSA-N 0 0 366.933 4.256 40 30 FIEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1 ZINC000004849001 570670263 /nfs/dbraw/zinc/67/02/63/570670263.db2.gz DUVNBRPZZWNVIX-UHFFFAOYSA-N 0 0 351.406 4.285 40 30 FIEBRN Cc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000408780363 570686888 /nfs/dbraw/zinc/68/68/88/570686888.db2.gz XSUXODKEGOKGIQ-FYJGNVAPSA-N 0 0 368.458 4.126 40 30 FIEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3)cc2)cc1 ZINC000408809189 570688745 /nfs/dbraw/zinc/68/87/45/570688745.db2.gz NKOZKYDRCSXSCR-HAHDFKILSA-N 0 0 360.413 4.463 40 30 FIEBRN COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408811777 570689008 /nfs/dbraw/zinc/68/90/08/570689008.db2.gz KSZZGPPVFOYCBG-HAHDFKILSA-N 0 0 360.413 4.463 40 30 FIEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cc(C)ccc1C ZINC000408750889 570689180 /nfs/dbraw/zinc/68/91/80/570689180.db2.gz TUFONMZCTWWCIY-JJFYIABZSA-N 0 0 363.421 4.460 40 30 FIEBRN Cc1ccccc1COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408890888 570695393 /nfs/dbraw/zinc/69/53/93/570695393.db2.gz HZNNTSBYZWARCX-WSDLNYQXSA-N 0 0 362.389 4.323 40 30 FIEBRN CC/N=C1/SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N1CC ZINC000408929839 570700309 /nfs/dbraw/zinc/70/03/09/570700309.db2.gz OTHVEISBPCZGRO-LLPDMMGZSA-N 0 0 368.458 4.461 40 30 FIEBRN C/N=C1/S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1C ZINC000408929653 570700356 /nfs/dbraw/zinc/70/03/56/570700356.db2.gz MBAFZAUGZFPTEB-WZOFUNJYSA-N 0 0 372.877 4.451 40 30 FIEBRN Cc1cc(C)nc(N=NCc2cccn2-c2cccc(C(F)(F)F)c2)n1 ZINC000408939775 570701461 /nfs/dbraw/zinc/70/14/61/570701461.db2.gz UIIZRWLXXNMANQ-JJFYIABZSA-N 0 0 359.355 4.349 40 30 FIEBRN C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O ZINC000408959848 570702956 /nfs/dbraw/zinc/70/29/56/570702956.db2.gz GWHPZQPVBSBJST-RVAQLADHSA-N 0 0 367.474 4.154 40 30 FIEBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000408976811 570706551 /nfs/dbraw/zinc/70/65/51/570706551.db2.gz SJUZTTJBUAOSCS-YBFXNURJSA-N 0 0 365.349 4.056 40 30 FIEBRN Cc1ccc(-n2cccc2CN=Nc2ccc([N+](=O)[O-])cn2)cc1Cl ZINC000409014398 570713160 /nfs/dbraw/zinc/71/31/60/570713160.db2.gz PLBJZMWNAUSBKE-RGVLZGJSSA-N 0 0 355.785 4.188 40 30 FIEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cccc(Br)c1 ZINC000409046329 570715873 /nfs/dbraw/zinc/71/58/73/570715873.db2.gz JYTLJUJJBYBVSB-IPKBDRFQSA-N 0 0 367.062 4.163 40 30 FIEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409051447 570716798 /nfs/dbraw/zinc/71/67/98/570716798.db2.gz ACKDWTGITDXMAL-UYRXBGFRSA-N 0 0 363.438 4.244 40 30 FIEBRN CC(C)COc1c(Br)cc(/C=N/O)cc1Br ZINC000409054968 570717556 /nfs/dbraw/zinc/71/75/56/570717556.db2.gz HMFDYRXXISMUFS-LHHJGKSTSA-N 0 0 351.038 4.055 40 30 FIEBRN O=[N+]([O-])c1ccc(Oc2c(Cl)cc(/C=N/O)cc2Cl)c([N+](=O)[O-])c1 ZINC000409079116 570720626 /nfs/dbraw/zinc/72/06/26/570720626.db2.gz KGGSHZIYEGCDNO-OMCISZLKSA-N 0 0 372.120 4.410 40 30 FIEBRN Cc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)o1 ZINC000409288984 570748773 /nfs/dbraw/zinc/74/87/73/570748773.db2.gz KCKJPPNTBKYPHS-UHFFFAOYSA-N 0 0 374.238 4.066 40 30 FIEBRN COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1C ZINC000409402053 570757135 /nfs/dbraw/zinc/75/71/35/570757135.db2.gz CVEDVROOYMFVHL-UHFFFAOYSA-N 0 0 369.424 4.263 40 30 FIEBRN CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409400797 570757158 /nfs/dbraw/zinc/75/71/58/570757158.db2.gz AZBWBEQIUXXIJE-UHFFFAOYSA-N 0 0 369.424 4.344 40 30 FIEBRN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1OC ZINC000006149718 570778828 /nfs/dbraw/zinc/77/88/28/570778828.db2.gz HUXDIZHVGAOCBV-LJQANCHMSA-N 0 0 365.429 4.074 40 30 FIEBRN C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1F ZINC000006158530 570779732 /nfs/dbraw/zinc/77/97/32/570779732.db2.gz LRTABLHAZLPPEV-UHFFFAOYSA-N 0 0 368.437 4.001 40 30 FIEBRN CCC1=C(c2ccc(OC)cc2)[C@@](O)(c2ccc(OC)cc2)[C@H](CC)C1=O ZINC000009028070 570797049 /nfs/dbraw/zinc/79/70/49/570797049.db2.gz FHGFLKNXDCJWSQ-NFBKMPQASA-N 0 0 366.457 4.364 40 30 FIEBRN COc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)cc1 ZINC000225884671 570803593 /nfs/dbraw/zinc/80/35/93/570803593.db2.gz ISHUHMZOSGZXJY-UHFFFAOYSA-N 0 0 353.809 4.445 40 30 FIEBRN N#Cc1c2c(sc1NC(=O)CO/N=C\c1ccccc1Cl)CCCC2 ZINC000013633742 570838226 /nfs/dbraw/zinc/83/82/26/570838226.db2.gz ZNSSYKHZMBGPPW-FBHDLOMBSA-N 0 0 373.865 4.141 40 30 FIEBRN C[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCCC2)cc1 ZINC000225694665 571056582 /nfs/dbraw/zinc/05/65/82/571056582.db2.gz LEGQEMOTNBVQSO-INIZCTEOSA-N 0 0 364.518 4.400 40 30 FIEBRN COc1ccc(OC)c(NC(=S)N/N=C\c2cccc3ccccc23)c1 ZINC000033488814 571065458 /nfs/dbraw/zinc/06/54/58/571065458.db2.gz IKHYLZIWLCMACL-BKUYFWCQSA-N 0 0 365.458 4.178 40 30 FIEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)c1 ZINC000083310526 571100817 /nfs/dbraw/zinc/10/08/17/571100817.db2.gz MBVDNRFUCLSVLB-UNOMPAQXSA-N 0 0 365.502 4.130 40 30 FIEBRN Cc1cccc(Cc2nc(SCc3ccccc3F)nc(N)c2C#N)c1 ZINC000223670745 571160555 /nfs/dbraw/zinc/16/05/55/571160555.db2.gz WOXSEBATTXRHSM-UHFFFAOYSA-N 0 0 364.449 4.261 40 30 FIEBRN C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCC ZINC000219807394 571175270 /nfs/dbraw/zinc/17/52/70/571175270.db2.gz QRLRTLPVPXBLLO-UHFFFAOYSA-N 0 0 354.475 4.357 40 30 FIEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)Cc1ccccc1 ZINC000072228570 571178001 /nfs/dbraw/zinc/17/80/01/571178001.db2.gz CUMYDAWGLUDWBV-UHFFFAOYSA-N 0 0 366.490 4.324 40 30 FIEBRN Cc1cc(Nc2nc(N[C@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1 ZINC000199500400 571292331 /nfs/dbraw/zinc/29/23/31/571292331.db2.gz SUNXHXDJOIXABJ-LLVKDONJSA-N 0 0 354.364 4.180 40 30 in-vitro FIEBRN CC/N=C1\S[C@@H](Cc2cc(C(C)C)c(OCC)cc2C)C(=O)N1CC ZINC000006348070 571296130 /nfs/dbraw/zinc/29/61/30/571296130.db2.gz WYZFPMVBXWJKFX-OQLSDQBISA-N 0 0 362.539 4.399 40 30 FIEBRN C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 ZINC000008478295 571301662 /nfs/dbraw/zinc/30/16/62/571301662.db2.gz SDNFTUBGGOVUBZ-SFHVURJKSA-N 0 0 372.852 4.052 40 30 FIEBRN Cc1n[nH]c(=S)n1N=Cc1ccccc1OCc1cccc(Cl)c1 ZINC000082375079 571306676 /nfs/dbraw/zinc/30/66/76/571306676.db2.gz XEDFZORQOOFPRB-VXLYETTFSA-N 0 0 358.854 4.364 40 30 FIEBRN C=CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O ZINC000039556661 571310692 /nfs/dbraw/zinc/31/06/92/571310692.db2.gz UJFCIXMERCNQMN-XSFVSMFZSA-N 0 0 371.440 4.077 40 30 FIEBRN CCCCOC(=O)c1ccc(N/N=C2/Sc3ccccc3C2=O)cc1 ZINC000137973153 571311034 /nfs/dbraw/zinc/31/10/34/571311034.db2.gz DEFVDRWEHHRIHG-DYTRJAOYSA-N 0 0 354.431 4.358 40 30 FIEBRN C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000214151557 571311331 /nfs/dbraw/zinc/31/13/31/571311331.db2.gz SNGKROHQPNIVSE-QGOAFFKASA-N 0 0 351.427 4.488 40 30 FIEBRN CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3C#N)o2)SC1=S ZINC000409349856 571319548 /nfs/dbraw/zinc/31/95/48/571319548.db2.gz WMFQUAPKUBCJDD-YBEGLDIGSA-N 0 0 354.456 4.429 40 30 FIEBRN N#Cc1c(N)n(Cc2ccccc2Cl)nc1Cc1ccc(Cl)cc1 ZINC000225839412 571338590 /nfs/dbraw/zinc/33/85/90/571338590.db2.gz BYWZNXGLZPPUJZ-UHFFFAOYSA-N 0 0 357.244 4.283 40 30 FIEBRN N#Cc1c(N)n(Cc2cccc(F)c2)nc1Cc1cccc2ccccc21 ZINC000225841997 571338635 /nfs/dbraw/zinc/33/86/35/571338635.db2.gz WLLDOMMHDTYESU-UHFFFAOYSA-N 0 0 356.404 4.268 40 30 FIEBRN N#Cc1cc(N)c(Cc2ccccc2)n1Cc1ccc(Br)cc1 ZINC000225855466 571338826 /nfs/dbraw/zinc/33/88/26/571338826.db2.gz YVKIKBZFAOLJSH-UHFFFAOYSA-N 0 0 366.262 4.344 40 30 FIEBRN N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1Cc1ccc(Cl)cc1 ZINC000225886466 571338904 /nfs/dbraw/zinc/33/89/04/571338904.db2.gz LIWNHVHEBSRANF-UHFFFAOYSA-N 0 0 367.792 4.165 40 30 FIEBRN COc1ccc2nc(SCC(=O)c3ccc(F)cc3)c(C#N)cc2c1 ZINC000001354666 219397707 /nfs/dbraw/zinc/39/77/07/219397707.db2.gz YPHIUKJNCSLMKB-UHFFFAOYSA-N 0 0 352.390 4.229 40 30 FIEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3cccs3)nc2c1 ZINC000001354459 219397929 /nfs/dbraw/zinc/39/79/29/219397929.db2.gz IKFFOCWAWGREAF-UHFFFAOYSA-N 0 0 367.499 4.193 40 30 FIEBRN C[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCCC2)cc1 ZINC000225694641 222861308 /nfs/dbraw/zinc/86/13/08/222861308.db2.gz LEGQEMOTNBVQSO-MRXNPFEDSA-N 0 0 364.518 4.400 40 30 FIEBRN N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CCOc1ccc(F)cc1 ZINC000225863220 222876353 /nfs/dbraw/zinc/87/63/53/222876353.db2.gz FWTGEYKGZUNREE-UHFFFAOYSA-N 0 0 369.827 4.404 40 30 FIEBRN N#Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc12 ZINC000226361927 222885118 /nfs/dbraw/zinc/88/51/18/222885118.db2.gz LETNVNPRGYGTTN-UHFFFAOYSA-N 0 0 357.325 4.370 40 30 FIEBRN Cc1ccc(S(=O)(=O)NN=C2[C@@H](C)CC(C(C)(C)C)C[C@@H]2C)cc1 ZINC000006005845 219708869 /nfs/dbraw/zinc/70/88/69/219708869.db2.gz FGSJBNDKHPRTBI-KSCSMHSMSA-N 0 0 350.528 4.358 40 30 FIEBRN CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccc(Cl)cc1 ZINC000015016496 220141435 /nfs/dbraw/zinc/14/14/35/220141435.db2.gz MNLCQUOKAWEOOK-GZUVOCMGSA-N 0 0 372.833 4.303 40 30 FIEBRN COc1cccc(/N=C/c2cc(I)cc(C)c2O)c1 ZINC000016269563 220180885 /nfs/dbraw/zinc/18/08/85/220180885.db2.gz DATANYSTSICDTF-RQZCQDPDSA-N 0 0 367.186 4.064 40 30 FIEBRN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@@H]2C1 ZINC000017986719 220220001 /nfs/dbraw/zinc/22/00/01/220220001.db2.gz KJWSKORJFCFRHG-PNHOKKKMSA-N 0 0 360.413 4.276 40 30 FIEBRN CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1 ZINC000019520999 220265913 /nfs/dbraw/zinc/26/59/13/220265913.db2.gz COOFYBRQZRHKOH-UHFFFAOYSA-N 0 0 359.429 4.449 40 30 FIEBRN C/C(=N\NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 ZINC000020786763 220341901 /nfs/dbraw/zinc/34/19/01/220341901.db2.gz HNEGTRNKRZJLHX-LSFURLLWSA-N 0 0 372.803 4.464 40 30 FIEBRN N#Cc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1 ZINC000027930135 220552801 /nfs/dbraw/zinc/55/28/01/220552801.db2.gz UHXBZDVGJAXRLJ-UHFFFAOYSA-N 0 0 352.191 4.121 40 30 FIEBRN C=CCNc1nnc(SCC(=O)Nc2ccccc2F)c2ccccc12 ZINC000035311395 220776618 /nfs/dbraw/zinc/77/66/18/220776618.db2.gz BBJHQZNDNAVJCE-UHFFFAOYSA-N 0 0 368.437 4.098 40 30 FIEBRN COc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000058574688 221120725 /nfs/dbraw/zinc/12/07/25/221120725.db2.gz SGMAAWPXBXZZQJ-CHHVJCJISA-N 0 0 361.191 4.083 40 30 FIEBRN C=C(C)COc1cccc(C(=O)NCCCN2CCCc3ccccc32)c1 ZINC000219794836 533517728 /nfs/dbraw/zinc/51/77/28/533517728.db2.gz OQGBDQVSVKQJJH-UHFFFAOYSA-N 0 0 364.489 4.214 40 30 FIEBRN CCOC(=O)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000100210272 222238108 /nfs/dbraw/zinc/23/81/08/222238108.db2.gz PRKXYANNDZFESE-KEBDBYFISA-N 0 0 357.431 4.283 40 30 FIEBRN COc1ccc(-c2c(C#N)c(OC)nc3c2CCc2ccccc2-3)cc1OC ZINC000039380631 263399782 /nfs/dbraw/zinc/39/97/82/263399782.db2.gz VOWQWWWUQJINFY-UHFFFAOYSA-N 0 0 372.424 4.412 40 30 FIEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc4c(c3)OCO4)nc1-2 ZINC000059459289 263419328 /nfs/dbraw/zinc/41/93/28/263419328.db2.gz UTIIEHYOOCKSJT-UFFVCSGVSA-N 0 0 364.426 4.397 40 30 FIEBRN CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)o1 ZINC000408819754 263498373 /nfs/dbraw/zinc/49/83/73/263498373.db2.gz RRWMPFUFJTYTHA-VBKFSLOCSA-N 0 0 355.463 4.326 40 30 FIEBRN CC(C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 ZINC000408906682 263506494 /nfs/dbraw/zinc/50/64/94/263506494.db2.gz DAZUHGDLUMJTAS-QFAYSNGYSA-N 0 0 366.442 4.428 40 30 FIEBRN Brc1cc(/C=N\c2ccc3c(c2)OCO3)oc1Br ZINC000408954218 263510090 /nfs/dbraw/zinc/51/00/90/263510090.db2.gz RXSZJDCABVUJKJ-WCSRMQSCSA-N 0 0 373.000 4.284 40 30 FIEBRN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=S ZINC000409022756 263518341 /nfs/dbraw/zinc/51/83/41/263518341.db2.gz RUGVVDOEPFLACR-YBEGLDIGSA-N 0 0 352.440 4.205 40 30 FIEBRN C#CCOc1ccc(/C=C2/c3ccc(C(F)(F)F)cc3NC2=O)cc1OC ZINC000409095101 263525554 /nfs/dbraw/zinc/52/55/54/263525554.db2.gz GSHDJNQDHVXTSI-DHDCSXOGSA-N 0 0 373.330 4.219 40 30 FIEBRN C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225019310 518808628 /nfs/dbraw/zinc/80/86/28/518808628.db2.gz BLJAMQBUMKYFJE-UHFFFAOYSA-N 0 0 360.435 4.100 40 30 FIEBRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224950461 518810935 /nfs/dbraw/zinc/81/09/35/518810935.db2.gz YRNCNDQPICCPSH-UHFFFAOYSA-N 0 0 372.273 4.383 40 30 FIEBRN C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224597331 518812742 /nfs/dbraw/zinc/81/27/42/518812742.db2.gz TVQCDURPNDZWJI-UHFFFAOYSA-N 0 0 369.845 4.259 40 30 FIEBRN C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225107473 518816070 /nfs/dbraw/zinc/81/60/70/518816070.db2.gz ZERKLQAFIAMTIM-UHFFFAOYSA-N 0 0 369.845 4.177 40 30 FIEBRN C=CCOc1ccc(C(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1 ZINC000028189585 519025363 /nfs/dbraw/zinc/02/53/63/519025363.db2.gz ADCQKVYIVRNJSX-UHFFFAOYSA-N 0 0 369.446 4.025 40 30 FIEBRN C=CCOc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223719406 519027233 /nfs/dbraw/zinc/02/72/33/519027233.db2.gz GBAARUUFYSYXGK-UHFFFAOYSA-N 0 0 353.462 4.358 40 30 FIEBRN C=CCOc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1 ZINC000225638011 519041320 /nfs/dbraw/zinc/04/13/20/519041320.db2.gz RSPSVFMLKUVRLT-INIZCTEOSA-N 0 0 356.491 4.314 40 30 FIEBRN C=CCOc1cccc(NC(=S)NCCSCc2ccccc2)c1 ZINC000225291330 519058792 /nfs/dbraw/zinc/05/87/92/519058792.db2.gz FDFSUBMYGSODBS-UHFFFAOYSA-N 0 0 358.532 4.471 40 30 FIEBRN C=CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2C)NC1=O ZINC000008416145 519066178 /nfs/dbraw/zinc/06/61/78/519066178.db2.gz AIXYDVLZLONKMQ-AQTBWJFISA-N 0 0 350.443 4.451 40 30 FIEBRN C=C[C@]1(O)CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@]21C ZINC000253498804 519303714 /nfs/dbraw/zinc/30/37/14/519303714.db2.gz RSBPOYAJCVXJON-LBDXOHDDSA-N 0 0 374.521 4.009 40 30 FIEBRN CC(C)c1nc(N=NCc2ccc(Cl)cc2Cl)cc(N(C)C)n1 ZINC000005849712 519866093 /nfs/dbraw/zinc/86/60/93/519866093.db2.gz AUEHHWLRJSBEDE-DJKKODMXSA-N 0 0 352.269 4.419 40 30 FIEBRN Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000001421714 525042556 /nfs/dbraw/zinc/04/25/56/525042556.db2.gz YQUWSOIYEVRNDV-UDWIEESQSA-N 0 0 350.330 4.466 40 30 FIEBRN Cc1c(Cl)cccc1NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21 ZINC000223746509 525759833 /nfs/dbraw/zinc/75/98/33/525759833.db2.gz VSAVSEYIYOTDKU-UHFFFAOYSA-N 0 0 353.731 4.436 40 30 FIEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000034687452 526096282 /nfs/dbraw/zinc/09/62/82/526096282.db2.gz PRISIUSMVAFJNT-JJFYIABZSA-N 0 0 363.421 4.460 40 30 FIEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C ZINC000004692630 560199776 /nfs/dbraw/zinc/19/97/76/560199776.db2.gz CTXGUGSLVSMAHY-AJMINZBYSA-N 0 0 362.485 4.032 40 30 in-vitro FIEBRN CCOc1c(C)cc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1C ZINC000216058922 568103131 /nfs/dbraw/zinc/10/31/31/568103131.db2.gz ADLGSSLGKNXMLC-XQNSMLJCSA-N 0 0 356.466 4.233 40 30 FIEBRN C=CCSc1nnc(NC(=O)c2ccc(OCC)c(Cl)c2)s1 ZINC000223584705 570519547 /nfs/dbraw/zinc/51/95/47/570519547.db2.gz SOSATSVCLAEOMR-UHFFFAOYSA-N 0 0 355.872 4.121 40 30 FIEBRN COc1cc(C)c(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1OC ZINC000408548650 570540857 /nfs/dbraw/zinc/54/08/57/570540857.db2.gz KLISYRCXPLDARM-WQRHYEAKSA-N 0 0 368.458 4.212 40 30 FIEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000408560222 570554661 /nfs/dbraw/zinc/55/46/61/570554661.db2.gz FJNOINNRBAUZJH-UHFFFAOYSA-N 0 0 358.511 4.154 40 30 FIEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@@]3(F)C(=O)C[C@]12C ZINC000118928693 570560493 /nfs/dbraw/zinc/56/04/93/570560493.db2.gz CCIHHCZWSDAQGO-XLDXIZIASA-N 0 0 360.469 4.241 40 30 FIEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408592271 570573144 /nfs/dbraw/zinc/57/31/44/570573144.db2.gz MBQBWJWPQSEDMW-WYMPLXKRSA-N 0 0 373.412 4.245 40 30 FIEBRN C=CCOc1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 ZINC000225868675 570609830 /nfs/dbraw/zinc/60/98/30/570609830.db2.gz LCTCDFAOTBLZJM-UHFFFAOYSA-N 0 0 353.491 4.402 40 30 FIEBRN O=C1C=C(O/C=C\C(C(F)(F)F)C(F)(F)F)C(=O)c2ccccc21 ZINC000004972299 570614743 /nfs/dbraw/zinc/61/47/43/570614743.db2.gz LKCDUGIIEXOUAC-WAYWQWQTSA-N 0 0 350.214 4.221 40 30 FIEBRN S=C(N/N=C/c1ccc(Cl)s1)NC12CC3CC(CC(C3)C1)C2 ZINC000005030434 570618723 /nfs/dbraw/zinc/61/87/23/570618723.db2.gz XFECJSASFXQJJY-GIJQJNRQSA-N 0 0 353.944 4.168 40 30 FIEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(Br)o1 ZINC000005376724 570625418 /nfs/dbraw/zinc/62/54/18/570625418.db2.gz CSIWJXRUADQZBF-YRNVUSSQSA-N 0 0 367.199 4.073 40 30 FIEBRN 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C=CCOc1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 ZINC000038755046 519055064 /nfs/dbraw/zinc/05/50/64/519055064.db2.gz HVPSKUOAWAPESR-CQSZACIVSA-N 0 0 373.474 4.388 40 30 FIEBRN C=CCOc1cccc(NC(=S)NCCN(CC)c2ccc(C)cc2)c1 ZINC000225794181 519057684 /nfs/dbraw/zinc/05/76/84/519057684.db2.gz NAYSJDPQTUUVHP-UHFFFAOYSA-N 0 0 369.534 4.373 40 30 FIEBRN C=CCc1cc(C(=O)NCCOc2ccc(CCC)cc2)ccc1OC ZINC000224127179 519128743 /nfs/dbraw/zinc/12/87/43/519128743.db2.gz CQRBKBJDTIMCMF-UHFFFAOYSA-N 0 0 353.462 4.185 40 30 FIEBRN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cnn(CC)c1 ZINC000036631376 519241647 /nfs/dbraw/zinc/24/16/47/519241647.db2.gz GTPPBVXSAJJWKZ-UHFFFAOYSA-N 0 0 359.886 4.293 40 30 FIEBRN CC(CC/C(=N\O)c1ccccc1)(CC/C(=N/O)c1ccccc1)[N+](=O)[O-] ZINC000104252928 520148913 /nfs/dbraw/zinc/14/89/13/520148913.db2.gz SJOBLYMBGXOYQZ-JXDXAWHESA-N 0 0 369.421 4.339 40 30 FIEBRN CC(CC/C(=N/O)c1ccccc1)(CC/C(=N/O)c1ccccc1)[N+](=O)[O-] ZINC000018008563 520149554 /nfs/dbraw/zinc/14/95/54/520149554.db2.gz SJOBLYMBGXOYQZ-FRRVGIRPSA-N 0 0 369.421 4.339 40 30 FIEBRN CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1CC ZINC000003182617 520397125 /nfs/dbraw/zinc/39/71/25/520397125.db2.gz WGDSJLDVPFIPOG-BXDHAIISSA-N 0 0 371.403 4.258 40 30 FIEBRN CC1(C)COc2ccc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2OC1 ZINC000225371684 520512750 /nfs/dbraw/zinc/51/27/50/520512750.db2.gz PUGFYFVGHXAHCU-WEVVVXLNSA-N 0 0 353.374 4.288 40 30 FIEBRN CCCCOc1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1 ZINC000003265623 520854382 /nfs/dbraw/zinc/85/43/82/520854382.db2.gz JWQZQDXZBFUORS-XSFVSMFZSA-N 0 0 357.479 4.195 40 30 FIEBRN CCOC(=O)c1ccc(/N=C\c2ccc(N(CCC#N)CCC#N)cc2)cc1 ZINC000018057042 521465127 /nfs/dbraw/zinc/46/51/27/521465127.db2.gz CDXOCXGRPWTQKC-UQQQWYQISA-N 0 0 374.444 4.248 40 30 FIEBRN CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224936361 521487190 /nfs/dbraw/zinc/48/71/90/521487190.db2.gz CYHDIKGODWKDDU-UHFFFAOYSA-N 0 0 369.273 4.275 40 30 FIEBRN Cc1ccc(Cl)cc1NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21 ZINC000223746653 524729398 /nfs/dbraw/zinc/72/93/98/524729398.db2.gz FEJPBRDJUVBUGN-UHFFFAOYSA-N 0 0 353.731 4.436 40 30 FIEBRN CSc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000015745808 525950953 /nfs/dbraw/zinc/95/09/53/525950953.db2.gz BJXHKJWEHKPVJK-JCMHNJIXSA-N 0 0 353.535 4.177 40 30 FIEBRN N#Cc1ncoc1N=NCc1ccc(-c2cccc(Br)c2)o1 ZINC000094992859 526798910 /nfs/dbraw/zinc/79/89/10/526798910.db2.gz KSUBRSRBQHBBSB-UWVJOHFNSA-N 0 0 357.167 4.015 40 30 FIEBRN CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000004783181 560200035 /nfs/dbraw/zinc/20/00/35/560200035.db2.gz FCBHFLRFWJSOTB-GAYBOGBZSA-N 0 0 362.485 4.032 40 30 in-vitro FIEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000033635462 568256668 /nfs/dbraw/zinc/25/66/68/568256668.db2.gz XPXJWAQJJQWZLA-AWQFTUOYSA-N 0 0 369.321 4.219 40 30 FIEBRN Cc1ccc(Cc2nc(SCc3cccc(F)c3)nc(N)c2C#N)cc1 ZINC000223672965 568696660 /nfs/dbraw/zinc/69/66/60/568696660.db2.gz NEPCCBMHIROCAT-UHFFFAOYSA-N 0 0 364.449 4.261 40 30 FIEBRN O=[N+]([O-])c1cc2c(cc1/C=N/N=C1c3ccccc3-c3ccccc31)OCO2 ZINC000001710192 570505161 /nfs/dbraw/zinc/50/51/61/570505161.db2.gz ZHKYJIPYJZPLIG-SSDVNMTOSA-N 0 0 371.352 4.175 40 30 FIEBRN CC(C)(C)c1cc(C=NN2C(=O)CSC2=S)cc(C(C)(C)C)c1O ZINC000408534644 570516192 /nfs/dbraw/zinc/51/61/92/570516192.db2.gz TZEOVGBIZAGQSD-DJKKODMXSA-N 0 0 364.536 4.181 40 30 FIEBRN COCCN1C(=O)/C(=C\c2cccc(C)c2)S/C1=N\c1ccccc1 ZINC000002783084 570532141 /nfs/dbraw/zinc/53/21/41/570532141.db2.gz CSXQCLXEYHSURR-HOOMGSECSA-N 0 0 352.459 4.245 40 30 FIEBRN N#Cc1c(N)n(Cc2ccc(Br)cc2)nc1C1CCCCC1 ZINC000225843284 570547318 /nfs/dbraw/zinc/54/73/18/570547318.db2.gz PHBFPKMZJRJPID-UHFFFAOYSA-N 0 0 359.271 4.195 40 30 FIEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]12C ZINC000118922758 570559992 /nfs/dbraw/zinc/55/99/92/570559992.db2.gz RNNCAOFZFWZGLS-KJNYTMNMSA-N 0 0 360.469 4.241 40 30 FIEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]12C ZINC000118922759 570560387 /nfs/dbraw/zinc/56/03/87/570560387.db2.gz RNNCAOFZFWZGLS-SNYRELPCSA-N 0 0 360.469 4.241 40 30 FIEBRN COc1ccc(C(=O)/C=C/c2ccc(I)cc2)cc1 ZINC000408655679 570571364 /nfs/dbraw/zinc/57/13/64/570571364.db2.gz LKFYEWNSRXKAPY-NYYWCZLTSA-N 0 0 364.182 4.196 40 30 FIEBRN C#CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000408609026 570581853 /nfs/dbraw/zinc/58/18/53/570581853.db2.gz NMYINIWFFXIXDK-UHFFFAOYSA-N 0 0 360.797 4.271 40 30 FIEBRN CC(/C=C/c1ccccc1)=C\C(C)=N/NS(=O)(=O)c1ccc(C)cc1 ZINC000004273571 570582654 /nfs/dbraw/zinc/58/26/54/570582654.db2.gz MXUZSUTUSDYKRY-WMENNWEWSA-N 0 0 354.475 4.309 40 30 FIEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004991405 570617072 /nfs/dbraw/zinc/61/70/72/570617072.db2.gz VMJTYZJSMCLRIH-FRKPEAEDSA-N 0 0 355.137 4.256 40 30 FIEBRN CCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\C)N(C)C3=O)c2C)cc1 ZINC000408759624 570619349 /nfs/dbraw/zinc/61/93/49/570619349.db2.gz ICZYYJJJLZRNJQ-RTPYTOBHSA-N 0 0 353.491 4.188 40 30 FIEBRN C#CCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2n1C ZINC000408655730 570621687 /nfs/dbraw/zinc/62/16/87/570621687.db2.gz LNIOABGJJIDGEX-HZHRSRAPSA-N 0 0 354.413 4.185 40 30 FIEBRN Cc1ccc(S(=O)(=O)Nc2ccccc2/C(=N\O)c2ccccc2)cc1 ZINC000005260176 570622927 /nfs/dbraw/zinc/62/29/27/570622927.db2.gz PXGHAQRFWKNDOJ-MRCUWXFGSA-N 0 0 366.442 4.022 40 30 FIEBRN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3C)S2)c1 ZINC000005753657 570635038 /nfs/dbraw/zinc/63/50/38/570635038.db2.gz WZJLPYDACKGJHU-YVLHZVERSA-N 0 0 367.430 4.412 40 30 FIEBRN COCCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N\c1ccccc1 ZINC000005879639 570637416 /nfs/dbraw/zinc/63/74/16/570637416.db2.gz GAMSGDFXXGBLRF-QHMRDMIHSA-N 0 0 354.431 4.086 40 30 FIEBRN O=C(N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1)C(F)(F)F ZINC000005889681 570637969 /nfs/dbraw/zinc/63/79/69/570637969.db2.gz QAGJOBCHMKIKSL-JYFOCSDGSA-N 0 0 371.358 4.127 40 30 FIEBRN CCCCCCCCCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000408707901 570659244 /nfs/dbraw/zinc/65/92/44/570659244.db2.gz SNNLLNJFRFRVDZ-UHFFFAOYSA-N 0 0 369.303 4.254 40 30 FIEBRN O=[N+]([O-])c1ccc(/N=C(/c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000004566489 570668515 /nfs/dbraw/zinc/66/85/15/570668515.db2.gz WZSSTJGLNSDOIG-HNENSFHCSA-N 0 0 354.366 4.067 40 30 FIEBRN Cc1cccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc12 ZINC000004849022 570670307 /nfs/dbraw/zinc/67/03/07/570670307.db2.gz HJYSBNFLAXPOAI-OAHLLOKOSA-N 0 0 373.481 4.485 40 30 FIEBRN O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 ZINC000004996447 570674668 /nfs/dbraw/zinc/67/46/68/570674668.db2.gz VBHQLQLCCHRVSK-PGMHBOJBSA-N 0 0 350.365 4.469 40 30 FIEBRN CCOC(=O)/C(=C\c1ccc(Br)cc1)C(=O)c1ccccc1 ZINC000008653238 570684445 /nfs/dbraw/zinc/68/44/45/570684445.db2.gz FHSNNNLJURRKLP-VBKFSLOCSA-N 0 0 359.219 4.279 40 30 FIEBRN CCOc1ccc2ccc(OCC)c(/C=C3\S/C(=N\C)N(C)C3=O)c2c1 ZINC000408771935 570685627 /nfs/dbraw/zinc/68/56/27/570685627.db2.gz LLPQBUWCCOUXHF-RTPYTOBHSA-N 0 0 370.474 4.169 40 30 FIEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1 ZINC000408737299 570686721 /nfs/dbraw/zinc/68/67/21/570686721.db2.gz BJOJHSZDPWVCIW-DHDCSXOGSA-N 0 0 373.821 4.448 40 30 FIEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Br)cc1C ZINC000408740880 570687472 /nfs/dbraw/zinc/68/74/72/570687472.db2.gz NIATWEYZYRSECC-MBTVCVBTSA-N 0 0 370.250 4.499 40 30 FIEBRN O=C(C=C(Nc1ccc(Br)cc1)c1cccnc1)C(F)(F)F ZINC000408751413 570690078 /nfs/dbraw/zinc/69/00/78/570690078.db2.gz OALXZNPFWAVIMX-JYRVWZFOSA-N 0 0 371.156 4.429 40 30 FIEBRN O=[N+]([O-])c1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 ZINC000408858940 570692463 /nfs/dbraw/zinc/69/24/63/570692463.db2.gz USRGZGUJLGSBQC-YVLHZVERSA-N 0 0 364.199 4.301 40 30 FIEBRN C=CCc1cc(/C=N/c2cccc(C(=O)OC)c2C)cc(OCC)c1O ZINC000408859056 570693649 /nfs/dbraw/zinc/69/36/49/570693649.db2.gz VHIHMAPPDABMBM-LPYMAVHISA-N 0 0 353.418 4.365 40 30 FIEBRN CCOc1cccc(/N=C\c2ccc(O)c(I)c2)c1 ZINC000408905132 570696429 /nfs/dbraw/zinc/69/64/29/570696429.db2.gz UDDSJIYYEPLBHJ-YVLHZVERSA-N 0 0 367.186 4.146 40 30 FIEBRN Oc1ccc(/C=N/c2ccc3ncccc3c2)cc1I ZINC000408905181 570696471 /nfs/dbraw/zinc/69/64/71/570696471.db2.gz UTAZGYFODQLUBI-VXLYETTFSA-N 0 0 374.181 4.296 40 30 FIEBRN C#CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1Cl ZINC000408912597 570698079 /nfs/dbraw/zinc/69/80/79/570698079.db2.gz REIJAKMJLKXLIX-UHFFFAOYSA-N 0 0 357.192 4.468 40 30 FIEBRN CCN(CC)c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000408932085 570701209 /nfs/dbraw/zinc/70/12/09/570701209.db2.gz SXNXWLUEXGNTDT-HAVVHWLPSA-N 0 0 367.493 4.129 40 30 FIEBRN O=[N+]([O-])c1cccc(/N=C\c2cc(Br)c(Br)o2)c1 ZINC000408950880 570701987 /nfs/dbraw/zinc/70/19/87/570701987.db2.gz GQTGDYOMFGCGQP-NSIKDUERSA-N 0 0 373.988 4.463 40 30 FIEBRN CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000408955694 570702433 /nfs/dbraw/zinc/70/24/33/570702433.db2.gz YOLYEAPFTOXZKQ-XQNSMLJCSA-N 0 0 361.445 4.471 40 30 FIEBRN O=S(=O)(NCc1ccc(/C=N/c2cccc(Cl)c2)o1)c1ccccc1 ZINC000408995825 570709062 /nfs/dbraw/zinc/70/90/62/570709062.db2.gz FBNVWVNAXSECNC-UDWIEESQSA-N 0 0 374.849 4.162 40 30 FIEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Cl ZINC000409017756 570713045 /nfs/dbraw/zinc/71/30/45/570713045.db2.gz PENRBKSYTVWDPC-MDWZMJQESA-N 0 0 370.257 4.450 40 30 FIEBRN COc1cc(Cl)c(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409098384 570723624 /nfs/dbraw/zinc/72/36/24/570723624.db2.gz OORIQTQZOVATQU-QPSGOUHRSA-N 0 0 359.735 4.217 40 30 FIEBRN C=CCN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O ZINC000409138823 570731501 /nfs/dbraw/zinc/73/15/01/570731501.db2.gz INMXRSWLDOCDQX-NTEUORMPSA-N 0 0 363.200 4.332 40 30 FIEBRN CCOc1ccc(/N=C2/S[C@H](Cc3ccccc3)C(=O)N2CC)cc1 ZINC000409147129 570732028 /nfs/dbraw/zinc/73/20/28/570732028.db2.gz WHBKRPDPSLHMLX-PNBGARPFSA-N 0 0 354.475 4.279 40 30 FIEBRN CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409146870 570732855 /nfs/dbraw/zinc/73/28/55/570732855.db2.gz VIJWPYHHBQENAV-PNBGARPFSA-N 0 0 354.475 4.198 40 30 FIEBRN C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2OC)C1=O ZINC000409230732 570743939 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